dataframe of glycan images

Lazily create a dataframe containing the images for all the glycans in array v 5.0. This may be usefulfor analysis later.


In [69]:
%reset -f

In [70]:
## import all required dependencies

In [71]:
# standard imports
import urllib2
import os
import sys
import json
import StringIO
import pickle

# dataframe and numerical
import pandas as pd
import numpy as np

# plotting
import matplotlib.pyplot as plt
%matplotlib inline
# plotting params
from matplotlib import rcParams
rcParams["figure.figsize"] = 10, 8

#scipy
from scipy import stats
from scipy.special import erf
from scipy import sqrt

# glypy
import glypy
from glypy.plot import plot
from glypy.io import glycoct

# other modules
sys.path.append('../scripts/')
import post_glycan_convert as pgc

In [72]:
# Use an example array - using the galectin example

samples_in="../data/galectin-3/galectin-3_5.0_human.json"
results_dir = "../results/galectin-3/"
dataframe_out=results_dir+"dataframes_galectin.pkl"
dataframefile=dataframe_out
# Check whether or not the dataframes exist

subdir="./"
dataframefile=dataframe_out

if not os.path.isfile(dataframefile):
    print "calling the notebook that loads the data"
    %run download_cfg_for_galectin.ipynb
with open(os.path.join(subdir, dataframefile)) as f:
    dataframes = pickle.load(f)
    
    
dataframes[0]["sample"]
frame=dataframes[0]["dataframe"]
frame.head()


Out[72]:
Chart Number Structure on Masterlist Average RFU StDev % CV
0 1 Gala-Sp8 32.573825 10.853264 33.318974
1 2 Glca-Sp8 32.550600 20.740342 63.717235
2 3 Mana-Sp8 43.420175 5.334342 12.285399
3 4 GalNAca-Sp8 18.625950 5.312952 28.524464
4 5 GalNAca-Sp15 36.695600 13.101250 35.702508

In [73]:
# create a data frame with the glycan and the spacer as separate columns

Structure="Structure on Masterlist"

df=pd.concat([frame["Chart Number"], frame[Structure]], axis=1)
              
df.head()
#frame["Structure"]
df[Structure].str.extract('(.*-)')
df["Glycan"]=df[Structure].str.extract('(.*-)').str.strip('-')

#df['Structure'].str.extract('(-Sp.+?$)')
df["Spacer"]=df[Structure].str.split('.*-').str[1]
df


/home/cbarnett/anaconda2/envs/pynotes/lib/python2.7/site-packages/ipykernel/__main__.py:9: FutureWarning: currently extract(expand=None) means expand=False (return Index/Series/DataFrame) but in a future version of pandas this will be changed to expand=True (return DataFrame)
/home/cbarnett/anaconda2/envs/pynotes/lib/python2.7/site-packages/ipykernel/__main__.py:10: FutureWarning: currently extract(expand=None) means expand=False (return Index/Series/DataFrame) but in a future version of pandas this will be changed to expand=True (return DataFrame)
Out[73]:
Chart Number Structure on Masterlist Glycan Spacer
0 1 Gala-Sp8 Gala Sp8
1 2 Glca-Sp8 Glca Sp8
2 3 Mana-Sp8 Mana Sp8
3 4 GalNAca-Sp8 GalNAca Sp8
4 5 GalNAca-Sp15 GalNAca Sp15
5 6 Fuca-Sp8 Fuca Sp8
6 7 Fuca-Sp9 Fuca Sp9
7 8 Rhaa-Sp8 Rhaa Sp8
8 9 Neu5Aca-Sp8 Neu5Aca Sp8
9 10 Neu5Aca-Sp11 Neu5Aca Sp11
10 11 Neu5Acb-Sp8 Neu5Acb Sp8
11 12 Galb-Sp8 Galb Sp8
12 13 Glcb-Sp8 Glcb Sp8
13 14 Manb-Sp8 Manb Sp8
14 15 GalNAcb-Sp8 GalNAcb Sp8
15 16 GlcNAcb-Sp0 GlcNAcb Sp0
16 17 GlcNAcb-Sp8 GlcNAcb Sp8
17 18 GlcN(Gc)b-Sp8 GlcN(Gc)b Sp8
18 19 Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3)GalNAca-Sp8 Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3)GalNAca Sp8
19 20 Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3)GalNAc-Sp14 Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3)GalNAc Sp14
20 21 GlcNAcb1-6(GlcNAcb1-4)(GlcNAcb1-3)GlcNAc-Sp8 GlcNAcb1-6(GlcNAcb1-4)(GlcNAcb1-3)GlcNAc Sp8
21 22 6S(3S)Galb1-4(6S)GlcNAcb-Sp0 6S(3S)Galb1-4(6S)GlcNAcb Sp0
22 23 6S(3S)Galb1-4GlcNAcb-Sp0 6S(3S)Galb1-4GlcNAcb Sp0
23 24 (3S)Galb1-4(Fuca1-3)(6S)Glc-Sp0 (3S)Galb1-4(Fuca1-3)(6S)Glc Sp0
24 25 (3S)Galb1-4Glcb-Sp8 (3S)Galb1-4Glcb Sp8
25 26 (3S)Galb1-4(6S)Glcb-Sp0 (3S)Galb1-4(6S)Glcb Sp0
26 27 (3S)Galb1-4(6S)Glcb-Sp8 (3S)Galb1-4(6S)Glcb Sp8
27 28 (3S)Galb1-3(Fuca1-4)GlcNAcb-Sp8 (3S)Galb1-3(Fuca1-4)GlcNAcb Sp8
28 29 (3S)Galb1-3GalNAca-Sp8 (3S)Galb1-3GalNAca Sp8
29 30 (3S)Galb1-3GlcNAcb-Sp0 (3S)Galb1-3GlcNAcb Sp0
... ... ... ... ...
581 582 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp19 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp19
582 583 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24
583 584 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24
584 585 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24
585 586 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24
586 587 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24
587 588 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24
588 589 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24
589 590 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca-Sp14 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca Sp14
590 591 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca-Sp14 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca Sp14
591 592 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca-Sp14 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca Sp14
592 593 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca-Sp14 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca Sp14
593 594 GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca-Sp14 GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca Sp14
594 595 GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca-Sp14 GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca Sp14
595 596 GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca-Sp14 GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca Sp14
596 597 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca-Sp14 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca Sp14
597 598 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca-Sp14 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca Sp14
598 599 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca-Sp14 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAca Sp14
599 600 Galb1-4GlcNAcb1-3Galb1-3GalNAca-Sp14 Galb1-4GlcNAcb1-3Galb1-3GalNAca Sp14
600 601 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca-Sp14 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca Sp14
601 602 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca-Sp14 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca Sp14
602 603 Neu5Aca2-6Galb1-4GlcNAcb1-6(Galb1-3)GalNAca-Sp14 Neu5Aca2-6Galb1-4GlcNAcb1-6(Galb1-3)GalNAca Sp14
603 604 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp12 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp12
604 605 GlcNAcb1-6(Neu5Aca2-3Galb1-3)GalNAca-Sp14 GlcNAcb1-6(Neu5Aca2-3Galb1-3)GalNAca Sp14
605 606 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca-Sp14 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca Sp14
606 607 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp12 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp12
607 608 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp12 Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp12
608 609 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp12 Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp12
609 610 GlcNAcb1-3Fuca-Sp21 GlcNAcb1-3Fuca Sp21
610 611 Galb1-3GalNAcb1-4(Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3)Galb1-4Glcb-Sp21 Galb1-3GalNAcb1-4(Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3)Galb1-4Glcb Sp21

611 rows × 4 columns


In [74]:
# create a function that plots using glypy


def plotter(func):
    """
    A decorator that plots the function .
    (it actually just prints it, but it could be logging!)
    """
    def wrapper(*args, **kwargs):
        res = func(*args, **kwargs)
        #print func.__name__, args, kwargs
        #plot(res,label=True)
        return res
    return wrapper

@plotter
def get_gly_iupac(iupacstring):
    try:
        kchandle = StringIO.StringIO(iupacstring)
        kcf=pgc.mechanise_glycan_convert(kchandle, "Kcf", "text")
        kchandle2 = StringIO.StringIO(kcf)
        gct=pgc.mechanise_glycan_convert(kchandle2, "Glycoct", "text")
        return glycoct.loads(gct)
    except:
        return iupacstring

In [75]:
high_binders_from_paper=[372,
 543,
 545,
 547,
 549,
 550,
 551,
 565,
 566,
 569,
 576,
 577,
 578,
 579,
 580,
 581,
 582,
 583,
 584,
 585,
 586,
 587,
 588,
 589]
highbinders_df = df[df["Chart Number"].isin(high_binders_from_paper)]

In [76]:
#highbinders_df["glycoct"]=get_gly_iupac(highbinders_df["Glycan"])
highbinders_df["glycoct"]=highbinders_df["Glycan"]
highbinders_df.head()


/home/cbarnett/anaconda2/envs/pynotes/lib/python2.7/site-packages/ipykernel/__main__.py:2: SettingWithCopyWarning: 
A value is trying to be set on a copy of a slice from a DataFrame.
Try using .loc[row_indexer,col_indexer] = value instead

See the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/indexing.html#indexing-view-versus-copy
  from ipykernel import kernelapp as app
Out[76]:
Chart Number Structure on Masterlist Glycan Spacer glycoct
371 372 Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-6(Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp20 Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-6(Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp20 Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-6(Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
542 543 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
544 545 Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp24 Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp24 Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
546 547 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
548 549 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb

In [77]:
highbinders_df


Out[77]:
Chart Number Structure on Masterlist Glycan Spacer glycoct
371 372 Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-6(Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp20 Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-6(Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp20 Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-6(Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
542 543 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
544 545 Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp24 Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp24 Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
546 547 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
548 549 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
549 550 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
550 551 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp25 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp25 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
564 565 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp25 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
565 566 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp25 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp25 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
568 569 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb-Sp25 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb Sp25 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
575 576 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
576 577 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
577 578 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
578 579 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
579 580 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
580 581 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp19 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp19 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
581 582 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp19 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp19 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
582 583 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
583 584 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
584 585 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
585 586 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
586 587 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
587 588 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
588 589 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb-Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb Sp24 Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAb1-2)Mana1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb

In [78]:
highbinders_df["glycoct"]=highbinders_df["Glycan"]
# create a function called to http://chrisalbon.com/python/pandas_apply_operations_to_dataframes.html
# maps apply to the showl frame.... 
def map_glycoct(x):
    # that, if x is a string,
    return get_gly_iupac(x)
   
#. commenting out for now as takes a while. plus not all conversions occur
#newslice = highbinders_df['glycoct'].map(map_glycoct) # http://chrisalbon.com/python/pandas_apply_operations_to_dataframes.html


/home/cbarnett/anaconda2/envs/pynotes/lib/python2.7/site-packages/ipykernel/__main__.py:1: SettingWithCopyWarning: 
A value is trying to be set on a copy of a slice from a DataFrame.
Try using .loc[row_indexer,col_indexer] = value instead

See the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/indexing.html#indexing-view-versus-copy
  if __name__ == '__main__':

In [ ]:


In [79]:
# Not always able to get iupac-> kcf-> glycoct
# why not just pull imaged from kcf-> image
import post_kcf_to_image as pki
def get_gly_image(iupacstring):
    try:
        kchandle = StringIO.StringIO(iupacstring)
        kcf=pgc.mechanise_glycan_convert(kchandle, "Kcf", "text")
        kchandle2 = StringIO.StringIO(kcf)
        gct=pki.post_rings_kcf_to_image(kchandle2)
        return pki.get_first_image_from_html(gct).encode("base64")
    except:
        return iupacstring

aimg= get_gly_image(df["Glycan"][372])
from IPython.display import Image
Image(aimg)


Out[79]:

In [84]:
highbinders_from_analysis={543,
 547,
 549,
 550,
 551,
 565,
 566,
 569,
 577,
 578,
 579,
 580,
 581,
 582,
 588,
 589}

import urllib
highbinders2_df = df[df["Chart Number"].isin(highbinders_from_analysis)]
highbinders2_df["Image"]=highbinders2_df["Glycan"]
# create a function called to http://chrisalbon.com/python/pandas_apply_operations_to_dataframes.html
# maps apply to the showl frame.... 
def map_image(x):
    # that, if x is a string,
    return '<html><img src="data:image/png;base64,'+urllib.quote(get_gly_image(x).rstrip('\n'))+'"/></html>'
    #return '<html><img src="data:image/png;base64,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"/></html>'


newslice = highbinders2_df['Image'].map(map_image) # http://chrisalbon.com/python/pandas_apply_operations_to_dataframes.html


/home/cbarnett/anaconda2/envs/pynotes/lib/python2.7/site-packages/ipykernel/__main__.py:20: SettingWithCopyWarning: 
A value is trying to be set on a copy of a slice from a DataFrame.
Try using .loc[row_indexer,col_indexer] = value instead

See the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/indexing.html#indexing-view-versus-copy

In [81]:
pd.set_option('display.max_colwidth', 10000)
from IPython.display import Image, HTML
newslice
HTML(newslice.to_frame().to_html(escape=False))


Out[81]:
Image
371
542
544
546
548
549
550
564
565
568
575
576
577
578
579
580
581
582
583
584
585
586
587
588

In [85]:
def get_gly_kcf(iupacstring):
    try:
        kchandle = StringIO.StringIO(iupacstring)
        kcf=pgc.mechanise_glycan_convert(kchandle, "Kcf", "text")
        return kcf
    except:
        return iupacstring
    
highbinders2_df["KCF"]=highbinders2_df["Glycan"]
# create a function called to http://chrisalbon.com/python/pandas_apply_operations_to_dataframes.html
# maps apply to the showl frame.... 
def map_kcf(x):
    # that, if x is a string,
    return get_gly_kcf(x)
    


newslice2 = highbinders2_df['KCF'].map(map_kcf) # http://chrisalbon.com/python/pandas_apply_operations_to_dataframes.html


/home/cbarnett/anaconda2/envs/pynotes/lib/python2.7/site-packages/ipykernel/__main__.py:9: SettingWithCopyWarning: 
A value is trying to be set on a copy of a slice from a DataFrame.
Try using .loc[row_indexer,col_indexer] = value instead

See the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/indexing.html#indexing-view-versus-copy

In [94]:
kcfdict=newslice2.to_dict()
kcfdict.keys()
kcflist=[]
for key in kcfdict:
    kcflist.append(kcfdict[key])

In [100]:
print "".join(kcflist) # can paste this into http://rings.t.soka.ac.jp/cgi-bin/tools/MCAW/mcaw_index.pl


ENTRY         Glycan
NODE  16
     1  GlcNAc   -64   -6
     2  Gal   -56   -6
     3  GlcNAc   -48   -6
     4  Gal   -40   -6
     5  GlcNAc   -32   -6
     6  Man   -24   -6
     7  GlcNAc   -64   -2
     8  Gal   -56   -2
     9  GlcNAc   -48   -2
     10  Gal   -40   -2
     11  GlcNAc   -32   -2
     12  Man   -24   -2
     13  Man   -16   -4
     14  GlcNAc   -8   -4
     15  Fuc   -8   4
     16  GlcNAc   0   0
EDGE  15
     1  1:b1  2:3
     2  2:b1  3:4
     3  3:b1  4:3
     4  4:b1  5:4
     5  5:b1  6:2
     6  6:a1  13:6
     7  7:b1  8:3
     8  8:b1  9:4
     9  9:b1  10:3
     10  10:b1  11:4
     11  11:b1  12:2
     12  12:a1  13:3
     13  13:b1  14:4
     14  14:b1  16:4
     15  15:a1  16:6
///

ENTRY         Glycan
NODE  18
     1  Gal   -72   -6
     2  GlcNAc   -64   -6
     3  Gal   -56   -6
     4  GlcNAc   -48   -6
     5  Gal   -40   -6
     6  GlcNAc   -32   -6
     7  Man   -24   -6
     8  Gal   -72   -2
     9  GlcNAc   -64   -2
     10  Gal   -56   -2
     11  GlcNAc   -48   -2
     12  Gal   -40   -2
     13  GlcNAc   -32   -2
     14  Man   -24   -2
     15  Man   -16   -4
     16  GlcNAc   -8   -4
     17  Fuc   -8   4
     18  GlcNAc   0   0
EDGE  17
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:2
     7  7:a1  15:6
     8  8:b1  9:4
     9  9:b1  10:3
     10  10:b1  11:4
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:2
     14  14:a1  15:3
     15  15:b1  16:4
     16  16:b1  18:4
     17  17:a1  18:6
///

ENTRY         Glycan
NODE  15
     1  GlcNAc   -64   -2
     2  Gal   -56   -2
     3  GlcNAc   -48   -2
     4  Gal   -40   -2
     5  GlcNAc   -32   -2
     6  Man   -24   -2
     7  GlcNAc   -64   2
     8  Gal   -56   2
     9  GlcNAc   -48   2
     10  Gal   -40   2
     11  GlcNAc   -32   2
     12  Man   -24   2
     13  Man   -16   0
     14  GlcNAc   -8   0
     15  GlcNAc   0   0
EDGE  14
     1  1:b1  2:3
     2  2:b1  3:4
     3  3:b1  4:3
     4  4:b1  5:4
     5  5:b1  6:2
     6  6:a1  13:6
     7  7:b1  8:3
     8  8:b1  9:4
     9  9:b1  10:3
     10  10:b1  11:4
     11  11:b1  12:2
     12  12:a1  13:3
     13  13:b1  14:4
     14  14:b1  15:4
///

ENTRY         Glycan
NODE  22
     1  Gal   -88   -6
     2  GlcNAc   -80   -6
     3  Gal   -72   -6
     4  GlcNAc   -64   -6
     5  Gal   -56   -6
     6  GlcNAc   -48   -6
     7  Gal   -40   -6
     8  GlcNAc   -32   -6
     9  Man   -24   -6
     10  Gal   -88   -2
     11  GlcNAc   -80   -2
     12  Gal   -72   -2
     13  GlcNAc   -64   -2
     14  Gal   -56   -2
     15  GlcNAc   -48   -2
     16  Gal   -40   -2
     17  GlcNAc   -32   -2
     18  Man   -24   -2
     19  Man   -16   -4
     20  GlcNAc   -8   -4
     21  Fuc   -8   4
     22  GlcNAc   0   0
EDGE  21
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:3
     7  7:b1  8:4
     8  8:b1  9:2
     9  9:a1  19:6
     10  10:b1  11:4
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:3
     16  16:b1  17:4
     17  17:b1  18:2
     18  18:a1  19:3
     19  19:b1  20:4
     20  20:b1  22:4
     21  21:a1  22:6
///

ENTRY         Glycan
NODE  17
     1  Gal   -72   -2
     2  GlcNAc   -64   -2
     3  Gal   -56   -2
     4  GlcNAc   -48   -2
     5  Gal   -40   -2
     6  GlcNAc   -32   -2
     7  Man   -24   -2
     8  Gal   -72   2
     9  GlcNAc   -64   2
     10  Gal   -56   2
     11  GlcNAc   -48   2
     12  Gal   -40   2
     13  GlcNAc   -32   2
     14  Man   -24   2
     15  Man   -16   0
     16  GlcNAc   -8   0
     17  GlcNAc   0   0
EDGE  16
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:2
     7  7:a1  15:6
     8  8:b1  9:4
     9  9:b1  10:3
     10  10:b1  11:4
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:2
     14  14:a1  15:3
     15  15:b1  16:4
     16  16:b1  17:4
///

ENTRY         Glycan
NODE  19
     1  GlcNAc   -80   -2
     2  Gal   -72   -2
     3  GlcNAc   -64   -2
     4  Gal   -56   -2
     5  GlcNAc   -48   -2
     6  Gal   -40   -2
     7  GlcNAc   -32   -2
     8  Man   -24   -2
     9  GlcNAc   -80   2
     10  Gal   -72   2
     11  GlcNAc   -64   2
     12  Gal   -56   2
     13  GlcNAc   -48   2
     14  Gal   -40   2
     15  GlcNAc   -32   2
     16  Man   -24   2
     17  Man   -16   0
     18  GlcNAc   -8   0
     19  GlcNAc   0   0
EDGE  18
     1  1:b1  2:3
     2  2:b1  3:4
     3  3:b1  4:3
     4  4:b1  5:4
     5  5:b1  6:3
     6  6:b1  7:4
     7  7:b1  8:2
     8  8:a1  17:6
     9  9:b1  10:3
     10  10:b1  11:4
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:2
     16  16:a1  17:3
     17  17:b1  18:4
     18  18:b1  19:4
///

ENTRY         Glycan
NODE  21
     1  Gal   -88   -2
     2  GlcNAc   -80   -2
     3  Gal   -72   -2
     4  GlcNAc   -64   -2
     5  Gal   -56   -2
     6  GlcNAc   -48   -2
     7  Gal   -40   -2
     8  GlcNAc   -32   -2
     9  Man   -24   -2
     10  Gal   -88   2
     11  GlcNAc   -80   2
     12  Gal   -72   2
     13  GlcNAc   -64   2
     14  Gal   -56   2
     15  GlcNAc   -48   2
     16  Gal   -40   2
     17  GlcNAc   -32   2
     18  Man   -24   2
     19  Man   -16   0
     20  GlcNAc   -8   0
     21  GlcNAc   0   0
EDGE  20
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:3
     7  7:b1  8:4
     8  8:b1  9:2
     9  9:a1  19:6
     10  10:b1  11:4
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:3
     16  16:b1  17:4
     17  17:b1  18:2
     18  18:a1  19:3
     19  19:b1  20:4
     20  20:b1  21:4
///

ENTRY         Glycan
NODE  33
     1  GlcNAc   -96   -12
     2  Gal   -88   -12
     3  GlcNAc   -80   -12
     4  Gal   -72   -12
     5  GlcNAc   -64   -12
     6  Gal   -56   -12
     7  GlcNAc   -48   -12
     8  Gal   -40   -12
     9  GlcNAc   -32   -12
     10  GlcNAc   -96   -8
     11  Gal   -88   -8
     12  GlcNAc   -80   -8
     13  Gal   -72   -8
     14  GlcNAc   -64   -8
     15  Gal   -56   -8
     16  GlcNAc   -48   -8
     17  Gal   -40   -8
     18  GlcNA   -32   -8
     19  Man   -24   -10
     20  GlcNAc   -96   -2
     21  Gal   -88   -2
     22  GlcNAc   -80   -2
     23  Gal   -72   -2
     24  GlcNAc   -64   -2
     25  Gal   -56   -2
     26  GlcNAc   -48   -2
     27  Gal   -40   -2
     28  GlcNAc   -32   -2
     29  Man   -24   -2
     30  Man   -16   -6
     31  GlcNAc   -8   -6
     32  Fuc   -8   6
     33  GlcNAc   0   0
EDGE  32
     1  1:b1  2:3
     2  2:b1  3:4
     3  3:b1  4:3
     4  4:b1  5:4
     5  5:b1  6:3
     6  6:b1  7:4
     7  7:b1  8:3
     8  8:b1  9:4
     9  9:b1  19:6
     10  10:b1  11:3
     11  11:b1  12:4
     12  12:b1  13:3
     13  13:b1  14:4
     14  14:b1  15:3
     15  15:b1  16:4
     16  16:b1  17:3
     17  17:b1  18:4
     18  18:b1  19:2
     19  19:a1  30:6
     20  20:b1  21:3
     21  21:b1  22:4
     22  22:b1  23:3
     23  23:b1  24:4
     24  24:b1  25:3
     25  25:b1  26:4
     26  26:b1  27:3
     27  27:b1  28:4
     28  28:b1  29:2
     29  29:a1  30:3
     30  30:b1  31:4
     31  31:b1  33:4
     32  32:a1  33:6
///

ENTRY         Glycan
NODE  36
     1  Gal   -104   -12
     2  GlcNAc   -96   -12
     3  Gal   -88   -12
     4  GlcNAc   -80   -12
     5  Gal   -72   -12
     6  GlcNAc   -64   -12
     7  Gal   -56   -12
     8  GlcNAc   -48   -12
     9  Gal   -40   -12
     10  GlcNAc   -32   -12
     11  Gal   -104   -8
     12  GlcNAc   -96   -8
     13  Gal   -88   -8
     14  GlcNAc   -80   -8
     15  Gal   -72   -8
     16  GlcNAc   -64   -8
     17  Gal   -56   -8
     18  GlcNAc   -48   -8
     19  Gal   -40   -8
     20  GlcNA   -32   -8
     21  Man   -24   -10
     22  Gal   -104   -2
     23  GlcNAc   -96   -2
     24  Gal   -88   -2
     25  GlcNAc   -80   -2
     26  Gal   -72   -2
     27  GlcNAc   -64   -2
     28  Gal   -56   -2
     29  GlcNAc   -48   -2
     30  Gal   -40   -2
     31  GlcNAc   -32   -2
     32  Man   -24   -2
     33  Man   -16   -6
     34  GlcNAc   -8   -6
     35  Fuc   -8   6
     36  GlcNAc   0   0
EDGE  35
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:3
     7  7:b1  8:4
     8  8:b1  9:3
     9  9:b1  10:4
     10  10:b1  21:6
     11  11:b1  12:4
     12  12:b1  13:3
     13  13:b1  14:4
     14  14:b1  15:3
     15  15:b1  16:4
     16  16:b1  17:3
     17  17:b1  18:4
     18  18:b1  19:3
     19  19:b1  20:4
     20  20:b1  21:2
     21  21:a1  33:6
     22  22:b1  23:4
     23  23:b1  24:3
     24  24:b1  25:4
     25  25:b1  26:3
     26  26:b1  27:4
     27  27:b1  28:3
     28  28:b1  29:4
     29  29:b1  30:3
     30  30:b1  31:4
     31  31:b1  32:2
     32  32:a1  33:3
     33  33:b1  34:4
     34  34:b1  36:4
     35  35:a1  36:6
///

ENTRY         Glycan
NODE  20
     1  GlcNAc   -80   -6
     2  Gal   -72   -6
     3  GlcNAc   -64   -6
     4  Gal   -56   -6
     5  GlcNAc   -48   -6
     6  Gal   -40   -6
     7  GlcNAc   -32   -6
     8  Man   -24   -6
     9  GlcNAc   -80   -2
     10  Gal   -72   -2
     11  GlcNAc   -64   -2
     12  Gal   -56   -2
     13  GlcNAc   -48   -2
     14  Gal   -40   -2
     15  GlcNAc   -32   -2
     16  Man   -24   -2
     17  Man   -16   -4
     18  GlcNAc   -8   -4
     19  Fuc   -8   4
     20  GlcNAc   0   0
EDGE  19
     1  1:b1  2:3
     2  2:b1  3:4
     3  3:b1  4:3
     4  4:b1  5:4
     5  5:b1  6:3
     6  6:b1  7:4
     7  7:b1  8:2
     8  8:a1  17:6
     9  9:b1  10:3
     10  10:b1  11:4
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:2
     16  16:a1  17:3
     17  17:b1  18:4
     18  18:b1  20:4
     19  19:a1  20:6
///

ENTRY         Glycan
NODE  23
     1  GlcNAc   -96   -2
     2  Gal   -88   -2
     3  GlcNAc   -80   -2
     4  Gal   -72   -2
     5  GlcNAc   -64   -2
     6  Gal   -56   -2
     7  GlcNAc   -48   -2
     8  Gal   -40   -2
     9  GlcNAc   -32   -2
     10  Man   -24   -2
     11  GlcNAc   -96   2
     12  Gal   -88   2
     13  GlcNAc   -80   2
     14  Gal   -72   2
     15  GlcNAc   -64   2
     16  Gal   -56   2
     17  GlcNAc   -48   2
     18  Gal   -40   2
     19  GlcNAc   -32   2
     20  Man   -24   2
     21  Man   -16   0
     22  GlcNAc   -8   0
     23  GlcNAc   0   0
EDGE  22
     1  1:b1  2:3
     2  2:b1  3:4
     3  3:b1  4:3
     4  4:b1  5:4
     5  5:b1  6:3
     6  6:b1  7:4
     7  7:b1  8:3
     8  8:b1  9:4
     9  9:b1  10:2
     10  10:a1  21:6
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:3
     16  16:b1  17:4
     17  17:b1  18:3
     18  18:b1  19:4
     19  19:b1  20:2
     20  20:a1  21:3
     21  21:b1  22:4
     22  22:b1  23:4
///

ENTRY         Glycan
NODE  25
     1  Gal   -104   -2
     2  GlcNAc   -96   -2
     3  Gal   -88   -2
     4  GlcNAc   -80   -2
     5  Gal   -72   -2
     6  GlcNAc   -64   -2
     7  Gal   -56   -2
     8  GlcNAc   -48   -2
     9  Gal   -40   -2
     10  GlcNAc   -32   -2
     11  Man   -24   -2
     12  Gal   -104   2
     13  GlcNAc   -96   2
     14  Gal   -88   2
     15  GlcNAc   -80   2
     16  Gal   -72   2
     17  GlcNAc   -64   2
     18  Gal   -56   2
     19  GlcNAc   -48   2
     20  Gal   -40   2
     21  GlcNAc   -32   2
     22  Man   -24   2
     23  Man   -16   0
     24  GlcNAc   -8   0
     25  GlcNAc   0   0
EDGE  24
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:3
     7  7:b1  8:4
     8  8:b1  9:3
     9  9:b1  10:4
     10  10:b1  11:2
     11  11:a1  23:6
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:3
     16  16:b1  17:4
     17  17:b1  18:3
     18  18:b1  19:4
     19  19:b1  20:3
     20  20:b1  21:4
     21  21:b1  22:2
     22  22:a1  23:3
     23  23:b1  24:4
     24  24:b1  25:4
///

ENTRY         Glycan
NODE  29
     1  Gal   -120   -2
     2  GlcNAc   -112   -2
     3  Gal   -104   -2
     4  GlcNAc   -96   -2
     5  Gal   -88   -2
     6  GlcNAc   -80   -2
     7  Gal   -72   -2
     8  GlcNAc   -64   -2
     9  Gal   -56   -2
     10  GlcNAc   -48   -2
     11  Gal   -40   -2
     12  GlcNAc   -32   -2
     13  Man   -24   -2
     14  Gal   -120   2
     15  GlcNAc   -112   2
     16  Gal   -104   2
     17  GlcNAc   -96   2
     18  Gal   -88   2
     19  GlcNAc   -80   2
     20  Gal   -72   2
     21  GlcNAc   -64   2
     22  Gal   -56   2
     23  GlcNAc   -48   2
     24  Gal   -40   2
     25  GlcNAc   -32   2
     26  Man   -24   2
     27  Man   -16   0
     28  GlcNAc   -8   0
     29  GlcNAc   0   0
EDGE  28
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:3
     7  7:b1  8:4
     8  8:b1  9:3
     9  9:b1  10:4
     10  10:b1  11:3
     11  11:b1  12:4
     12  12:b1  13:2
     13  13:a1  27:6
     14  14:b1  15:4
     15  15:b1  16:3
     16  16:b1  17:4
     17  17:b1  18:3
     18  18:b1  19:4
     19  19:b1  20:3
     20  20:b1  21:4
     21  21:b1  22:3
     22  22:b1  23:4
     23  23:b1  24:3
     24  24:b1  25:4
     25  25:b1  26:2
     26  26:a1  27:3
     27  27:b1  28:4
     28  28:b1  29:4
///

ENTRY         Glycan
NODE  24
     1  GlcNAc   -96   -6
     2  Gal   -88   -6
     3  GlcNAc   -80   -6
     4  Gal   -72   -6
     5  GlcNAc   -64   -6
     6  Gal   -56   -6
     7  GlcNAc   -48   -6
     8  Gal   -40   -6
     9  GlcNAc   -32   -6
     10  Man   -24   -6
     11  GlcNAc   -96   -2
     12  Gal   -88   -2
     13  GlcNAc   -80   -2
     14  Gal   -72   -2
     15  GlcNAc   -64   -2
     16  Gal   -56   -2
     17  GlcNAc   -48   -2
     18  Gal   -40   -2
     19  GlcNAc   -32   -2
     20  Man   -24   -2
     21  Man   -16   -4
     22  GlcNAc   -8   -4
     23  Fuc   -8   4
     24  GlcNAc   0   0
EDGE  23
     1  1:b1  2:3
     2  2:b1  3:4
     3  3:b1  4:3
     4  4:b1  5:4
     5  5:b1  6:3
     6  6:b1  7:4
     7  7:b1  8:3
     8  8:b1  9:4
     9  9:b1  10:2
     10  10:a1  21:6
     11  11:b1  12:3
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:3
     16  16:b1  17:4
     17  17:b1  18:3
     18  18:b1  19:4
     19  19:b1  20:2
     20  20:a1  21:3
     21  21:b1  22:4
     22  22:b1  24:4
     23  23:a1  24:6
///

ENTRY         Glycan
NODE  13
     1  Gal   -56   -2
     2  GlcNAc   -48   -2
     3  Gal   -40   -2
     4  GlcNAc   -32   -2
     5  Man   -24   -2
     6  Gal   -56   2
     7  GlcNAc   -48   2
     8  Gal   -40   2
     9  GlcNAc   -32   2
     10  Man   -24   2
     11  Man   -16   0
     12  GlcNAc   -8   0
     13  GlcNAc   0   0
EDGE  12
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:2
     5  5:a1  11:6
     6  6:b1  7:4
     7  7:b1  8:3
     8  8:b1  9:4
     9  9:b1  10:2
     10  10:a1  11:3
     11  11:b1  12:4
     12  12:b1  13:4
///

ENTRY         Glycan
NODE  26
     1  Gal   -104   -6
     2  GlcNAc   -96   -6
     3  Gal   -88   -6
     4  GlcNAc   -80   -6
     5  Gal   -72   -6
     6  GlcNAc   -64   -6
     7  Gal   -56   -6
     8  GlcNAc   -48   -6
     9  Gal   -40   -6
     10  GlcNAc   -32   -6
     11  Man   -24   -6
     12  Gal   -104   -2
     13  GlcNAc   -96   -2
     14  Gal   -88   -2
     15  GlcNAc   -80   -2
     16  Gal   -72   -2
     17  GlcNAc   -64   -2
     18  Gal   -56   -2
     19  GlcNAc   -48   -2
     20  Gal   -40   -2
     21  GlcNAc   -32   -2
     22  Man   -24   -2
     23  Man   -16   -4
     24  GlcNAc   -8   -4
     25  Fuc   -8   4
     26  GlcNAc   0   0
EDGE  25
     1  1:b1  2:4
     2  2:b1  3:3
     3  3:b1  4:4
     4  4:b1  5:3
     5  5:b1  6:4
     6  6:b1  7:3
     7  7:b1  8:4
     8  8:b1  9:3
     9  9:b1  10:4
     10  10:b1  11:2
     11  11:a1  23:6
     12  12:b1  13:4
     13  13:b1  14:3
     14  14:b1  15:4
     15  15:b1  16:3
     16  16:b1  17:4
     17  17:b1  18:3
     18  18:b1  19:4
     19  19:b1  20:3
     20  20:b1  21:4
     21  21:b1  22:2
     22  22:a1  23:3
     23  23:b1  24:4
     24  24:b1  26:4
     25  25:a1  26:6
///



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