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]
1SA243090 94% 0.749 PF02868 C7_S1198 - (0)20 - / 10 / 53 42
2SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25
3SA199171 81% 0.771 PF00232 C2_S188 - (65)20 - / - / 49 25
4SA146563 52% 0.553 PF01702 C5_S157 - (26)20 - / 10 / 31 23
5SA000567 99% 0.532 PF01751 C2_S165 - (0)20 6 / 30 / 18 22
6SA044058 100% 0.734 PF01712 C2_S185 - (43)20 18 / 12 / 20 21
7SA135744 100% 0.560 PF02786 C2_S168 - (32)20 1 / 15 / 26 18
8SA143448 59% 0.583 PF02786 C1_S168 - (33)20 - / 20 / 23 18
9SA118859 99% 0.502 PF01751 C2_S165 - (0)20 8 / 29 / 14 18
10SA096363 100% 0.538 PF02786 C2_S157 - (24)20 2 / 19 / 21 18
11SA234931 98% 0.543 PF00494 C6_S148 - (7)20 3 / 18 / 8 17
12SA171192 45% 0.422 PF11798 C3_S1336 - (292)20 - / 14 / 85 17
13SAP01070 98% 0.875 PF00144 C1_S193 - (23)20 - / - / 44 17
14SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
15SA130168 100% 0.582 PF00334 C8_S167 - (64)20 - / 34 / 29 14
16SA170447 100% 0.591 PF00557 C2_S182 - (1)20 - / - / 28 14
17SA172033 100% 0.523 PF03119 C6_S149 - (30)20 - / 18 / 13 14
18SA142761 100% 0.618 PF01048 C1_S194 - (49)20 - / 39 / 16 13
19SA086521 56% 0.583 PF01513 C3_S142 - (34)20 - / 7 / 16 13
20SA053858 100% 0.645 PF03167 C8_S179 - (0)20 - / 2 / 33 12
21SA013148 55% 0.495 PF01048 C2_S149 - (24)20 - / - / 34 12
22SA045750 52% 0.579 PF12804 C1_S160 - (42)18 - / 19 / 22 12
23SA153329 57% 0.610 PF00871 C4_S156 - (46)20 2 / 10 / 12 12
24SA199980 39% 0.517 PF02146 C5_S1165 - (0)20 32 / 30 / 17 12
25SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
26SA047457 100% 0.523 PF01288 C11_S188 - (36)20 1 / 25 / 28 11
27SA046887 98% 0.522 PF00156 C5_S1116 - (49)20 - / 26 / 40 10
28SA097368 100% 0.577 PF01467 C2_S1112 - (89)20 - / 24 / 38 10
29SA133865 55% 0.501 PF00128 C1_S1106 - (0)20 - / - / 46 10
30SA051279 50% 0.578 PF01063 C7_S1179 - (142)20 - / 15 / 70 10
31SA047320 99% 0.529 PF02152 C5_S130 - (14)10 - / - / 11 10
32SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
33SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
34SA207825 64% 0.510 PF01156 C1_S136 - (14)17 - / 10 / 14 9
35SA2391107 99% 0.599 PF02569 C8_S1331 - (259)20 8 / 44 / 33 9
36SA120465 64% 0.602 PF00291 C3_S196 - (90)15 6 / 10 / 36 9
37SA072855 100% 0.536 PF00162 C9_S181 - (71)18 - / 21 / 23 9
38SA098529 93% 0.454 PF01409 C3_S120 - (13)11 2 / 6 / 6 9
39SA196864 52% 0.575 PF00491 C9_S141 - (17)20 - / - / 27 9
40SA075648 97% 0.565 PF01487 C5_S152 - (40)20 - / - / 39 9
41SA043361 54% 0.524 PF00128 C1_S1103 - (0)20 - / - / 45 9
42SA140989 81% 0.620 PF00012 C2_S1102 - (0)20 12 / 50 / 12 9
43SA084351 100% 0.542 PF02801 C4_S152 - (5)20 - / 7 / 19 9
44SA122635 43% 0.510 PF02774 C2_S169 - (38)20 12 / 11 / 15 9
45SA130244 43% 0.521 PF00348 C1_S159 - (43)17 - / 1 / 28 8
46SA143924 63% 0.501 PF00485 C1_S175 - (59)15 2 / 10 / 9 8
47SA047171 69% 0.584 PF00291 C3_S182 - (56)19 - / 10 / 56 8
48SA168153 49% 0.634 PF00202 C1_S198 - (43)20 - / - / 49 8
49SA221662 51% 0.437 PF00005 C1_S162 - (60)14 - / 36 / 6 7
50SA094241 100% 0.778 PF01327 C7_S149 - (15)16 - / 6 / 19 7

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