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

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