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]
1SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
2SA171192 45% 0.422 PF11798 C3_S1336 - (292)20 - / 14 / 85 17
3SA2391107 99% 0.599 PF02569 C8_S1331 - (259)20 8 / 44 / 33 9
4SA1513101 57% 0.542 PF00476 C4_S1289 - (207)14 52 / 23 / 11 3
5SA243090 94% 0.749 PF02868 C7_S1198 - (0)20 - / 10 / 53 42
6SA051279 50% 0.578 PF01063 C7_S1179 - (142)20 - / 15 / 70 10
7SA135130 60% 0.638 PF02863 C8_S1173 - (0)6 - / - / 17 1
8SA199980 39% 0.517 PF02146 C5_S1165 - (0)20 32 / 30 / 17 12
9SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
10SA151241 36% 0.435 PF06827 C13_S1159 - (0)5 - / 5 / 24 0
11SA065899 51% 0.652 PF00248 C7_S1156 - (120)16 66 / 10 / 3 4
12SA160668 56% 0.498 PF00248 C7_S1156 - (118)13 36 / 7 / 4 3
13SA036522 59% 0.574 PF02852 C3_S1152 - (125)2 7 / - / - 1
14SA12505 39% 0.276 PF01405 150 - (0)? - / - / - 0
15SA09517 33% 0.225 PF14785 150 - (0)? - / - / - 0
16SA24870 22% 0.074 PF02038 150 - (0)? - / - / - 0
17SA241339 42% 0.491 PF00175 C2_S1145 - (131)7 17 / 14 / - 3
18SA237540 37% 0.553 PF01180 C2_S1145 - (86)9 40 / 2 / 4 4
19SA202799 70% 0.544 PF05191 C3_S1144 - (131)15 64 / 29 / 5 7
20SA0815101 54% 0.614 PF00160 C6_S1137 - (0)18 - / 48 / 8 3
21SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
22SA149150 74% 0.618 PF00202 C1_S1124 - (56)18 - / - / 49 7
23SA023135 51% 0.528 PF00175 C1_S1121 - (36)8 16 / 3 / 9 1
24SA1763_10 44% 0.539 PF07392 117 - (0)? - / - / - 0
25SA0750_10 47% 0.377 PF01036 117 - (0)? - / - / - 0
26SA046887 98% 0.522 PF00156 C5_S1116 - (49)20 - / 26 / 40 10
27SA02030 35% 0.318 PF00026 114 - (0)? - / - / - 0
28SA16733 39% 0.430 PF02775 114 - (0)? - / - / - 0
29SA131510 76% 0.725 PF13237 114 - (0)? - / - / - 0
30SA218418 60% 0.363 PF03460 114 - (0)? - / - / - 0
31SA071939 97% 0.634 PF07992 C2_S1113 - (100)13 6 / 12 / 8 4
32SA097368 100% 0.577 PF01467 C2_S1112 - (89)20 - / 24 / 38 10
33SA221463 48% 0.533 PF00202 C1_S1109 - (63)20 - / 6 / 44 6
34SA05500 71% 0.300 PF02978 109 - (0)? - / - / - 0
35SA191569 99% 0.597 PF00464 C1_S1108 - (55)16 - / 2 / 57 4
36SA114533 100% 0.702 PF01423 C5_S1107 - (0)4 - / 8 / 16 2
37SA133865 55% 0.501 PF00128 C1_S1106 - (0)20 - / - / 46 10
38SA200144 55% 0.533 PF00248 C6_S1105 - (64)15 18 / 2 / 6 4
39SA043361 54% 0.524 PF00128 C1_S1103 - (0)20 - / - / 45 9
40SA012323 38% 0.506 PF01370 C1_S1102 - (84)5 13 / - / 2 1
41SA140989 81% 0.620 PF00012 C2_S1102 - (0)20 12 / 50 / 12 9
42SA083127 99% 0.484 PF02852 C1_S199 - (94)9 14 / 3 / 6 4
43SA231120 44% 0.555 PF00881 99 - (62)2 - / - / - 0
44SA168153 49% 0.634 PF00202 C1_S198 - (43)20 - / - / 49 8
45SA19102 58% 0.127 PF00137 97 - (0)? - / - / - 0
46SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
47SA120465 64% 0.602 PF00291 C3_S196 - (90)15 6 / 10 / 36 9
48SA142761 100% 0.618 PF01048 C1_S194 - (49)20 - / 39 / 16 13
49SA092423 50% 0.634 PF00551 C4_S193 - (5)4 - / - / 3 1
50SAP01070 98% 0.875 PF00144 C1_S193 - (23)20 - / - / 44 17

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