Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000002438 (Pseudomonas aeruginosa - Jan 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]
1PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
2PA365794 100% 0.535 PF00557 C2_S184 - (1)20 - / 9 / 63 35
3PA274887 57% 0.496 PF00557 C2_S183 - (1)20 - / 4 / 71 35
4PA214466 46% 0.507 PF00343 C7_S1119 - (35)20 - / 13 / 49 33
5PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
6PA475068 60% 0.652 PF00809 C5_S186 - (33)20 - / 6 / 62 26
7PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
8PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
9PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
10PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
11PA382350 54% 0.593 PF01702 C4_S145 - (17)20 - / 10 / 23 21
12PA496763 76% 0.506 PF01751 C2_S166 - (0)20 6 / 24 / 23 20
13PA308336 50% 0.453 PF01433 C3_S1114 - (27)20 - / 8 / 21 20
14PA289150 62% 0.487 PF02786 C2_S159 - (26)20 1 / 19 / 22 18
15PA543650 56% 0.530 PF02786 C1_S166 - (31)20 - / 15 / 27 17
16PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
17PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
18PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
19PA140053 53% 0.486 PF02786 C2_S155 - (23)20 - / 16 / 24 16
20PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
21PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
22PA152930 57% 0.512 PF03119 C4_S151 - (28)20 - / 16 / 15 14
23PA201245 100% 0.489 PF02786 C3_S160 - (27)20 - / 16 / 18 14
24PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
25PA087095 47% 0.605 PF00155 C1_S1151 - (112)20 15 / 22 / 59 14
26PA326273 49% 0.583 PF00254 C5_S1119 - (0)19 - / 30 / 20 13
27PA428073 45% 0.549 PF08279 C6_S1109 - (93)20 13 / 32 / 13 13
28PA371752 52% 0.599 PF00254 C3_S1111 - (0)20 - / 28 / 8 12
29PA083632 48% 0.540 PF00871 C2_S158 - (48)20 2 / 6 / 16 12
30PA034294 79% 0.597 PF00303 C8_S1158 - (84)20 - / 12 / 57 12
31PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
32PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
33PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
34PA250735 75% 0.530 PF12391 C9_S129 - (25)16 - / - / 18 11
35PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
36PA455760 67% 0.630 PF02401 C9_S1117 - (0)20 - / 3 / 72 11
37PA494930 34% 0.503 PF03853 C3_S157 - (49)20 1 / 8 / 21 11
38PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
39PA457276 51% 0.533 PF00254 C4_S1119 - (0)20 - / 34 / 22 11
40PA473257 51% 0.562 PF00342 C3_S140 - (39)20 - / - / 39 11
41PA065639 49% 0.674 PF01230 C5_S179 - (1)18 - / 13 / 18 10
42PA456938 52% 0.627 PF00348 C1_S152 - (29)18 - / - / 26 10
43PA380764 79% 0.486 PF00334 C9_S148 - (45)19 - / 22 / 24 10
44PA474867 52% 0.580 PF00121 C5_S151 - (43)20 - / - / 40 10
45PA003671 61% 0.594 PF00291 C2_S1104 - (98)14 6 / 14 / 37 9
46PA055260 74% 0.614 PF00162 C9_S183 - (72)19 - / 23 / 20 9
47PA257073 100% 0.669 PF07828 C17_S1118 - (0)17 - / 1 / 54 9
48PA516437 100% 0.457 PF00908 C6_S183 - (38)18 - / 3 / 27 9
49PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
50PA296547 100% 0.534 PF02801 C3_S154 - (5)20 - / 7 / 16 9

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