Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000823 (STRA3: Streptococcus agalactiae serotype III - Nov 2015)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




 Query Sequence
Filter: 		Significants
SA found		 Seq Ident. 3D Core
(QMean Score)		 Classification code

 Binding Site Ligands Found
(Procognate)		 Profile Complexes by comparative docking
(ligands from PDB templates)

 Targets
for screening


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
50gbs174227 36% 0.371 PF00005 C2_S120 - (0)10 - / 1 / 16 5
51gbs065920 39% 0.567 PF00005 26 - (0)? - / - / - 0
52gbs141019 35% 0.429 PF00005 10 - (0)? - / - / - 0
53gbs183934 42% 0.431 PF00005 C2_S125 - (0)10 - / - / 19 5
54gbs117838 49% 0.482 PF00005 C2_S133 - (0)11 - / - / 17 5
55gbs093622 45% 0.579 PF00005 C1_S121 - (0)1 - / 1 / - 0
56gbs079420 34% 0.547 PF00005 30 - (0)? - / - / - 0
57gbs028220 49% 0.537 PF00005 15 - (0)? - / - / - 0
58gbs140824 47% 0.438 PF00005 C1_S153 - (53)2 - / 4 / - 1
59gbs102426 37% 0.540 PF00005 C1_S131 - (0)10 - / 6 / 10 5
60gbs103920 45% 0.584 PF00005 35 - (0)? - / - / - 0
61gbs174141 42% 0.384 PF00005 C2_S151 - (49)7 - / 21 / 1 5
62gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
63gbs134212 18% 0.376 PF00005 2 - (0)? - / - / - 0
64gbs059521 37% 0.521 PF00005 C1_S117 - (0)1 - / 1 / 1 1
65gbs140125 44% 0.395 PF00005 C1_S157 - (55)6 - / 2 / 2 2
66gbs210920 54% 0.612 PF00005 C1_S150 - (0)2 - / - / 1 1
67gbs050846 47% 0.452 PF00005 C1_S157 - (55)8 - / 23 / 8 5
68gbs195037 37% 0.483 PF00005 C1_S135 - (0)12 - / 9 / 13 6
69gbs013720 63% 0.640 PF00005 C1_S111 - (0)2 - / - / 1 1
70gbs140035 56% 0.434 PF00005 C1_S142 - (42)3 - / 15 / - 2
71gbs174029 43% 0.378 PF00005 C1_S175 - (75)7 - / 7 / 4 4
72gbs211021 55% 0.510 PF00005 C1_S184 - (0)1 - / - / 1 1
73gbs178521 37% 0.347 PF00005 C1_S141 - (41)? - / 1 / - 0
74gbs06671 28% 0.087 PF00005 6 - (0)? - / - / - 0
75gbs050729 43% 0.355 PF00005 C1_S184 - (75)5 - / 6 / 1 2
76gbs102333 39% 0.533 PF00005 C1_S132 - (0)12 - / 8 / 16 6
77gbs178421 38% 0.385 PF00005 C1_S154 - (52)1 - / 2 / - 1
78gbs110247 56% 0.454 PF00005 C1_S157 - (57)12 - / 23 / 10 7
79gbs011520 33% 0.608 PF00005 11 - (0)? - / - / - 0
80gbs089419 33% 0.467 PF00005 9 - (0)? - / - / - 0
81gbs13605 42% 0.513 PF00008 4 - (4)? - / - / - 0
82gbs12190 40% -0.007 PF00010 0 - (0)? - / - / - 0
83gbs15350 47% 0.334 PF00010 1 - (1)? - / - / - 0
84gbs18260 57% 0.621 PF00012 6 - (0)? - / - / - 0
85gbs07590 42% 0.188 PF00012 0 - (0)? - / - / - 0
86gbs17662 50% 0.374 PF00012 1 - (0)? - / - / - 0
87gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
88gbs02430 37% 0.357 PF00017 16 - (12)? - / - / - 0
89gbs02380 57% 0.401 PF00017 0 - (0)? - / - / - 0
90gbs13490 32% 0.387 PF00022 9 - (0)? - / - / - 0
91gbs134410 50% 0.675 PF00027 17 - (0)? - / - / - 0
92gbs17450 33% 0.339 PF00034 16 - (0)? - / - / - 0
93gbs20220 26% 0.510 PF00041 3 - (0)? - / - / - 0
94gbs181128 100% 0.507 PF00044 C1_S118 - (10)3 6 / 2 / - 2
95gbs02930 37% 0.221 PF00046 2 - (0)? - / - / - 0
96gbs012620 57% 0.574 PF00056 C3_S167 - (56)2 3 / 2 / - 1
97gbs094744 68% 0.621 PF00056 C7_S140 - (30)5 2 / 14 / 7 2
98gbs14220 36% 0.247 PF00056 17 - (0)? - / - / - 0
99gbs12260 26% 0.321 PF00061 5 - (0)? - / - / - 0
100gbs11047 32% 0.383 PF00062 15 - (0)? - / - / - 0

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