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]
50gbs094137 60% 0.651 PF00383 C5_S156 - (38)13 - / - / 29 7
51gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
52gbs163546 71% 0.583 PF00156 C2_S164 - (45)13 - / 10 / 21 4
53gbs117023 52% 0.542 PF00232 C2_S190 - (70)13 - / 1 / 9 5
54gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
55gbs002329 79% 0.473 PF01259 C3_S142 - (36)12 - / 17 / 10 6
56gbs138723 63% 0.540 PF00368 C3_S120 - (12)12 - / 1 / - 1
57gbs142424 50% 0.574 PF01746 C5_S130 - (19)12 - / 16 / 6 5
58gbs102333 39% 0.533 PF00005 C1_S132 - (0)12 - / 8 / 16 6
59gbs004340 63% 0.605 PF00731 C4_S138 - (28)12 - / 1 / 20 4
60gbs208539 65% 0.624 PF02729 C8_S146 - (36)12 - / 8 / 18 5
61gbs077129 62% 0.503 PF01336 C6_S138 - (25)12 - / 6 / 6 5
62gbs081926 63% 0.606 PF01182 C1_S119 - (11)12 - / - / 12 6
63gbs195037 37% 0.483 PF00005 C1_S135 - (0)12 - / 9 / 13 6
64gbs110247 56% 0.454 PF00005 C1_S157 - (57)12 - / 23 / 10 7
65gbs028633 63% 0.539 PF02540 C6_S156 - (50)11 1 / 11 / 13 5
66gbs108221 52% 0.601 PF00215 C1_S141 - (24)11 - / 12 / 3 3
67gbs074948 50% 0.622 PF02978 C5_S175 - (52)11 4 / 16 / 8 3
68gbs088629 72% 0.466 PF01409 C4_S120 - (13)11 2 / 6 / 6 9
69gbs117838 49% 0.482 PF00005 C2_S133 - (0)11 - / - / 17 5
70gbs204739 63% 0.547 PF00154 C3_S139 - (0)11 - / 17 / 7 5
71gbs145527 75% 0.674 PF02224 C3_S132 - (29)11 1 / 10 / 8 6
72gbs185334 90% 0.634 PF00215 C1_S142 - (37)11 - / - / 27 6
73gbs061525 45% 0.609 PF03767 C5_S130 - (1)11 - / - / 19 4
74gbs056037 38% 0.429 PF08282 C1_S134 - (25)11 - / 5 / 9 1
75gbs212439 73% 0.710 PF02729 C8_S150 - (42)11 - / 5 / 20 5
76gbs060857 96% 0.608 PF03952 C1_S142 - (34)11 - / 3 / 31 7
77gbs187915 36% 0.460 PF05649 C6_S119 - (0)11 - / 2 / 8 7
78gbs079751 47% 0.615 PF00271 C6_S153 - (0)11 2 / 12 / 16 6
79gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
80gbs093328 57% 0.573 PF01380 C1_S114 - (13)10 - / - / 11 5
81gbs183934 42% 0.431 PF00005 C2_S125 - (0)10 - / - / 19 5
82gbs118120 50% 0.555 PF02152 C3_S119 - (6)10 - / - / 11 9
83gbs012036 40% 0.571 PF00005 C1_S121 - (0)10 - / 2 / 18 5
84gbs191925 61% 0.480 PF04650 C5_S175 - (37)10 - / - / 19 4
85gbs007993 84% 0.676 PF05191 C3_S1143 - (132)10 60 / 26 / 2 5
86gbs127023 98% 0.777 PF08124 C1_S129 - (0)10 1 / 1 / 9 3
87gbs050136 43% 0.495 PF01467 C1_S1112 - (90)10 - / 12 / 9 5
88gbs084422 50% 0.538 PF00485 C2_S137 - (21)10 2 / 5 / 5 6
89gbs179222 36% 0.570 PF02353 C2_S146 - (26)10 - / 16 / 8 0
90gbs102426 37% 0.540 PF00005 C1_S131 - (0)10 - / 6 / 10 5
91gbs066334 37% 0.527 PF08402 C1_S152 - (49)10 - / - / 15 5
92gbs057226 43% 0.477 PF01336 C7_S173 - (49)10 - / 13 / - 5
93gbs174227 36% 0.371 PF00005 C2_S120 - (0)10 - / 1 / 16 5
94gbs144565 55% 0.578 PF02852 C1_S1152 - (102)10 60 / - / 6 1
95gbs084820 36% 0.515 PF08279 C2_S125 - (17)9 7 / - / 3 6
96gbs139523 68% 0.526 PF00288 C1_S151 - (26)9 - / 11 / 1 3
97gbs013130 55% 0.605 PF08402 C1_S144 - (0)9 - / 12 / 7 5
98gbs191234 50% 0.519 PF08402 C1_S129 - (0)9 - / 1 / 13 4
99gbs192733 49% 0.607 PF02580 C11_S119 - (0)9 - / 1 / 8 2
100gbs061028 67% 0.538 PF00275 C8_S126 - (15)9 2 / 2 / 7 4

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