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]
1gbs0553104 60% 0.565 PF01180 C2_S1474 - (200)20 65 / 37 / 11 11
2gbs177143 38% 0.529 PF11798 C4_S1230 - (210)20 - / - / 47 12
3gbs046632 47% 0.574 PF00248 C7_S1185 - (128)6 - / - / 8 0
4gbs205523 38% 0.580 PF02863 C8_S1168 - (0)4 - / - / 5 1
5gbs155466 57% 0.524 PF06827 C5_S1161 - (0)5 - / 27 / 40 2
6gbs144565 55% 0.578 PF02852 C1_S1152 - (102)10 60 / - / 6 1
7gbs10370 17% 0.214 PF02461 150 - (0)? - / - / - 0
8gbs12200 44% 0.508 PF01405 150 - (0)? - / - / - 0
9gbs002724 78% 0.636 PF00551 C7_S1145 - (15)3 - / - / 2 1
10gbs056920 58% 0.639 PF00106 C1_S1143 - (70)2 3 / 1 / - 1
11gbs007993 84% 0.676 PF05191 C3_S1143 - (132)10 60 / 26 / 2 5
12gbs12995 41% 0.626 PF02335 142 - (0)? - / - / - 0
13gbs158687 49% 0.596 PF00160 C6_S1140 - (0)20 - / 23 / 28 8
14gbs00870 31% 0.207 PF01712 136 - (108)? - / - / - 0
15gbs191055 54% 0.624 PF01370 C1_S1134 - (116)7 43 / 1 / - 2
16gbs142320 52% 0.561 PF07992 C1_S1130 - (96)4 7 / - / - 2
17gbs031158 57% 0.623 PF00160 C1_S1128 - (5)14 - / 29 / 9 2
18gbs211925 44% 0.581 PF02863 C9_S1128 - (0)4 - / - / 9 0
19gbs001490 62% 0.598 PF00156 C4_S1123 - (50)19 - / 31 / 42 12
20gbs093944 42% 0.563 PF00485 C3_S1122 - (39)20 - / 35 / 7 12
21gbs154235 48% 0.640 PF00248 C6_S1121 - (72)13 15 / - / 3 3
22gbs104624 56% 0.636 PF00132 C2_S1121 - (53)8 - / - / 5 0
23gbs02180 37% 0.571 PF00273 116 - (0)? - / - / - 0
24gbs05638 35% 0.337 PF13183 114 - (0)? - / - / - 0
25gbs145715 36% 0.598 PF13237 114 - (0)? - / - / - 0
26gbs050136 43% 0.495 PF01467 C1_S1112 - (90)10 - / 12 / 9 5
27gbs019056 44% 0.541 PF00128 C1_S1111 - (0)20 - / - / 40 8
28gbs094620 79% 0.545 PF02852 C1_S1111 - (100)4 4 / - / - 1
29gbs028432 52% 0.523 PF07992 C1_S1111 - (101)8 5 / 11 / 4 3
30gbs18018 35% 0.527 PF00583 108 - (48)1 - / - / - 0
31gbs085832 46% 0.541 PF08543 C2_S1108 - (74)8 - / 5 / 12 2
32gbs16277 42% 0.573 PF00571 106 - (101)? - / - / - 0
33gbs191128 75% 0.532 PF00128 C1_S1106 - (0)16 - / 1 / 18 7
34gbs083519 45% 0.395 PF09515 105 - (0)? - / - / - 0
35gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
36gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
37gbs092420 50% 0.398 PF00132 100 - (50)? - / - / - 0
38gbs137020 48% 0.443 PF02008 C3_S199 - (33)? 1 / - / - 0
39gbs190349 70% 0.577 PF01255 C8_S197 - (26)20 4 / 23 / 22 12
40gbs110666 79% 0.508 PF00464 C1_S197 - (51)15 - / 1 / 52 4
41gbs188336 83% 0.485 PF01327 C5_S195 - (25)18 - / 4 / 19 7
42gbs162650 47% 0.581 PF01712 C1_S194 - (50)20 8 / 22 / 19 20
43gbs035721 66% 0.539 PF01230 C6_S193 - (0)5 - / - / 2 1
44gbs010023 37% 0.603 PF08543 C1_S193 - (58)7 - / 9 / 2 2
45gbs159167 73% 0.628 PF01048 C1_S191 - (49)20 - / 37 / 17 13
46gbs161642 38% 0.464 PF03372 C2_S191 - (1)8 - / 6 / 17 0
47gbs117023 52% 0.542 PF00232 C2_S190 - (70)13 - / 1 / 9 5
48gbs118268 50% 0.599 PF00809 C4_S190 - (32)20 - / 4 / 63 26
49gbs202620 99% 0.571 PF01048 89 - (0)? - / - / - 0
50gbs118044 47% 0.630 PF01288 C7_S188 - (37)18 2 / 21 / 16 9

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