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]
1PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
2PA549396 63% 0.557 PF00476 C4_S1244 - (172)11 37 / 30 / 13 1
3PA087095 47% 0.605 PF00155 C1_S1151 - (112)20 15 / 22 / 59 14
4PA368694 66% 0.647 PF05191 C2_S1143 - (130)12 59 / 30 / 2 5
5PA365794 100% 0.535 PF00557 C2_S184 - (1)20 - / 9 / 63 35
6PA034294 79% 0.597 PF00303 C8_S1158 - (84)20 - / 12 / 57 12
7PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
8PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
9PA476189 81% 0.604 PF00012 C4_S1104 - (0)20 11 / 55 / 12 9
10PA381088 42% 0.529 PF00012 C5_S1102 - (0)20 4 / 56 / 15 9
11PA274887 57% 0.496 PF00557 C2_S183 - (1)20 - / 4 / 71 35
12PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
13PA362784 100% 0.557 PF02542 C8_S191 - (72)20 - / - / 66 8
14PA541583 73% 0.595 PF00464 C1_S1108 - (54)16 - / 2 / 58 4
15PA362983 65% 0.602 PF00107 C1_S1151 - (99)20 46 / 31 / 7 5
16PA244482 72% 0.604 PF00464 C1_S1110 - (56)16 - / 2 / 58 4
17PA416782 46% 0.571 PF00248 C3_S1182 - (103)19 51 / 8 / 12 3
18PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
19PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
20PA284080 50% 0.573 PF00271 C3_S1115 - (0)16 16 / 20 / 30 5
21PA511080 44% 0.507 PF00316 C7_S178 - (75)8 - / - / 68 5
22PA168778 60% 0.524 PF05175 C1_S1113 - (93)20 5 / 53 / 16 5
23PA457276 51% 0.533 PF00254 C4_S1119 - (0)20 - / 34 / 22 11
24PA202575 47% 0.548 PF02852 C1_S1147 - (113)6 71 / - / 2 1
25PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
26PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
27PA460274 75% 0.548 PF00464 C1_S198 - (44)16 - / 2 / 52 4
28PA257073 100% 0.669 PF07828 C17_S1118 - (0)17 - / 1 / 54 9
29PA528873 78% 0.642 PF00543 C4_S181 - (0)9 - / 28 / 39 5
30PA326273 49% 0.583 PF00254 C5_S1119 - (0)19 - / 30 / 20 13
31PA435673 81% 0.698 PF00724 C4_S1149 - (69)8 - / 49 / 11 3
32PA428073 45% 0.549 PF08279 C6_S1109 - (93)20 13 / 32 / 13 13
33PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
34PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
35PA003671 61% 0.594 PF00291 C2_S1104 - (98)14 6 / 14 / 37 9
36PA414371 42% 0.371 PF00005 C1_S172 - (72)9 - / 21 / 33 6
37PA532171 70% 0.462 PF00692 C4_S1108 - (90)11 - / - / 35 4
38PA422369 42% 0.380 PF00005 C1_S163 - (63)12 - / 29 / 24 7
39PA475068 60% 0.652 PF00809 C5_S186 - (33)20 - / 6 / 62 26
40PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
41PA499767 52% 0.322 PF00005 C2_S166 - (58)13 - / 40 / 10 6
42PA293267 55% 0.562 PF00724 C6_S1104 - (46)12 29 / 11 / 7 5
43PA474867 52% 0.580 PF00121 C5_S151 - (43)20 - / - / 40 10
44PA395066 45% 0.537 PF00271 C4_S179 - (0)15 3 / 18 / 34 6
45PA214466 46% 0.507 PF00343 C7_S1119 - (35)20 - / 13 / 49 33
46PA322866 48% 0.357 PF00005 C3_S160 - (60)8 - / 38 / 12 5
47PA346666 46% 0.573 PF00271 C8_S161 - (0)13 7 / 19 / 26 6
48PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
49PA270965 71% 0.532 PF00291 C3_S188 - (59)20 - / 11 / 47 8
50PA380764 79% 0.486 PF00334 C9_S148 - (45)19 - / 22 / 24 10

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