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]
1PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
2PA274887 57% 0.496 PF00557 C2_S183 - (1)20 - / 4 / 71 35
3PA473257 51% 0.562 PF00342 C3_S140 - (39)20 - / - / 39 11
4PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
5PA428073 45% 0.549 PF08279 C6_S1109 - (93)20 13 / 32 / 13 13
6PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
7PA296547 100% 0.534 PF02801 C3_S154 - (5)20 - / 7 / 16 9
8PA083632 48% 0.540 PF00871 C2_S158 - (48)20 2 / 6 / 16 12
9PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
10PA065042 59% 0.604 PF00591 C11_S175 - (1)20 - / 13 / 30 8
11PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
12PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
13PA034294 79% 0.597 PF00303 C8_S1158 - (84)20 - / 12 / 57 12
14PA377049 100% 0.602 PF00478 C2_S173 - (50)20 - / 17 / 24 3
15PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
16PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
17PA496763 76% 0.506 PF01751 C2_S166 - (0)20 6 / 24 / 23 20
18PA455760 67% 0.630 PF02401 C9_S1117 - (0)20 - / 3 / 72 11
19PA457276 51% 0.533 PF00254 C4_S1119 - (0)20 - / 34 / 22 11
20PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
21PA270965 71% 0.532 PF00291 C3_S188 - (59)20 - / 11 / 47 8
22PA474867 52% 0.580 PF00121 C5_S151 - (43)20 - / - / 40 10
23PA382350 54% 0.593 PF01702 C4_S145 - (17)20 - / 10 / 23 21
24PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
25PA365794 100% 0.535 PF00557 C2_S184 - (1)20 - / 9 / 63 35
26PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
27PA201245 100% 0.489 PF02786 C3_S160 - (27)20 - / 16 / 18 14
28PA379847 55% 0.651 PF00155 C1_S174 - (46)20 - / 5 / 28 6
29PA289150 62% 0.487 PF02786 C2_S159 - (26)20 1 / 19 / 22 18
30PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
31PA214466 46% 0.507 PF00343 C7_S1119 - (35)20 - / 13 / 49 33
32PA494930 34% 0.503 PF03853 C3_S157 - (49)20 1 / 8 / 21 11
33PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
34PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
35PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
36PA308336 50% 0.453 PF01433 C3_S1114 - (27)20 - / 8 / 21 20
37PA152930 57% 0.512 PF03119 C4_S151 - (28)20 - / 16 / 15 14
38PA475068 60% 0.652 PF00809 C5_S186 - (33)20 - / 6 / 62 26
39PA543650 56% 0.530 PF02786 C1_S166 - (31)20 - / 15 / 27 17
40PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
41PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
42PA040257 39% 0.627 PF02729 C6_S161 - (47)20 - / 24 / 13 8
43PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
44PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
45PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
46PA371752 52% 0.599 PF00254 C3_S1111 - (0)20 - / 28 / 8 12
47PA381088 42% 0.529 PF00012 C5_S1102 - (0)20 4 / 56 / 15 9
48PA362784 100% 0.557 PF02542 C8_S191 - (72)20 - / - / 66 8
49PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
50PA377452 49% 0.579 PF00850 C6_S136 - (0)20 - / 4 / 24 6

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