Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 2016)

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]
1SA047457 100% 0.523 PF01288 C11_S188 - (36)20 1 / 25 / 28 11
2SA043361 54% 0.524 PF00128 C1_S1103 - (0)20 - / - / 45 9
3SA168153 49% 0.634 PF00202 C1_S198 - (43)20 - / - / 49 8
4SA155637 33% 0.466 PF00850 C9_S141 - (0)20 - / 6 / 21 3
5SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
6SA234931 98% 0.543 PF00494 C6_S148 - (7)20 3 / 18 / 8 17
7SAP01070 98% 0.875 PF00144 C1_S193 - (23)20 - / - / 44 17
8SA053858 100% 0.645 PF03167 C8_S179 - (0)20 - / 2 / 33 12
9SA046887 98% 0.522 PF00156 C5_S1116 - (49)20 - / 26 / 40 10
10SA130168 100% 0.582 PF00334 C8_S167 - (64)20 - / 34 / 29 14
11SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
12SA075648 97% 0.565 PF01487 C5_S152 - (40)20 - / - / 39 9
13SA172033 100% 0.523 PF03119 C6_S149 - (30)20 - / 18 / 13 14
14SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
15SA044058 100% 0.734 PF01712 C2_S185 - (43)20 18 / 12 / 20 21
16SA000567 99% 0.532 PF01751 C2_S165 - (0)20 6 / 30 / 18 22
17SA196864 52% 0.575 PF00491 C9_S141 - (17)20 - / - / 27 9
18SA084351 100% 0.542 PF02801 C4_S152 - (5)20 - / 7 / 19 9
19SA097368 100% 0.577 PF01467 C2_S1112 - (89)20 - / 24 / 38 10
20SA199980 39% 0.517 PF02146 C5_S1165 - (0)20 32 / 30 / 17 12
21SA133865 55% 0.501 PF00128 C1_S1106 - (0)20 - / - / 46 10
22SA143448 59% 0.583 PF02786 C1_S168 - (33)20 - / 20 / 23 18
23SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25
24SA171192 45% 0.422 PF11798 C3_S1336 - (292)20 - / 14 / 85 17
25SA142761 100% 0.618 PF01048 C1_S194 - (49)20 - / 39 / 16 13
26SA199171 81% 0.771 PF00232 C2_S188 - (65)20 - / - / 49 25
27SA122635 43% 0.510 PF02774 C2_S169 - (38)20 12 / 11 / 15 9
28SA170447 100% 0.591 PF00557 C2_S182 - (1)20 - / - / 28 14
29SA146563 52% 0.553 PF01702 C5_S157 - (26)20 - / 10 / 31 23
30SA153329 57% 0.610 PF00871 C4_S156 - (46)20 2 / 10 / 12 12
31SA086521 56% 0.583 PF01513 C3_S142 - (34)20 - / 7 / 16 13
32SA013148 55% 0.495 PF01048 C2_S149 - (24)20 - / - / 34 12
33SA104352 57% 0.558 PF02729 C6_S156 - (42)20 - / 19 / 13 7
34SA221463 48% 0.533 PF00202 C1_S1109 - (63)20 - / 6 / 44 6
35SA140989 81% 0.620 PF00012 C2_S1102 - (0)20 12 / 50 / 12 9
36SA051279 50% 0.578 PF01063 C7_S1179 - (142)20 - / 15 / 70 10
37SA2391107 99% 0.599 PF02569 C8_S1331 - (259)20 8 / 44 / 33 9
38SA096363 100% 0.538 PF02786 C2_S157 - (24)20 2 / 19 / 21 18
39SA243090 94% 0.749 PF02868 C7_S1198 - (0)20 - / 10 / 53 42
40SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
41SA135744 100% 0.560 PF02786 C2_S168 - (32)20 1 / 15 / 26 18
42SA118859 99% 0.502 PF01751 C2_S165 - (0)20 8 / 29 / 14 18
43SA047171 69% 0.584 PF00291 C3_S182 - (56)19 - / 10 / 56 8
44SA234145 59% 0.556 PF00171 C4_S165 - (0)19 1 / 20 / 9 4
45SA117246 79% 0.538 PF00478 C2_S158 - (41)19 - / 7 / 24 3
46SA037544 73% 0.541 PF00478 C2_S164 - (45)19 - / 14 / 23 6
47SA072957 100% 0.647 PF00121 C8_S159 - (46)19 - / - / 38 7
48SA149150 74% 0.618 PF00202 C1_S1124 - (56)18 - / - / 49 7
49SA0815101 54% 0.614 PF00160 C6_S1137 - (0)18 - / 48 / 8 3
50SA001642 70% 0.607 PF00709 C3_S172 - (55)18 - / 27 / 14 7

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