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]
1PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
2PA379847 55% 0.651 PF00155 C1_S174 - (46)20 - / 5 / 28 6
3PA475068 60% 0.652 PF00809 C5_S186 - (33)20 - / 6 / 62 26
4PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
5PA083632 48% 0.540 PF00871 C2_S158 - (48)20 2 / 6 / 16 12
6PA362784 100% 0.557 PF02542 C8_S191 - (72)20 - / - / 66 8
7PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
8PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
9PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
10PA494930 34% 0.503 PF03853 C3_S157 - (49)20 1 / 8 / 21 11
11PA472861 59% 0.696 PF01288 C7_S1101 - (41)20 2 / 23 / 32 8
12PA377049 100% 0.602 PF00478 C2_S173 - (50)20 - / 17 / 24 3
13PA473257 51% 0.562 PF00342 C3_S140 - (39)20 - / - / 39 11
14PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
15PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
16PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
17PA474867 52% 0.580 PF00121 C5_S151 - (43)20 - / - / 40 10
18PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
19PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
20PA362983 65% 0.602 PF00107 C1_S1151 - (99)20 46 / 31 / 7 5
21PA168778 60% 0.524 PF05175 C1_S1113 - (93)20 5 / 53 / 16 5
22PA214466 46% 0.507 PF00343 C7_S1119 - (35)20 - / 13 / 49 33
23PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
24PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
25PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
26PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
27PA457276 51% 0.533 PF00254 C4_S1119 - (0)20 - / 34 / 22 11
28PA496763 76% 0.506 PF01751 C2_S166 - (0)20 6 / 24 / 23 20
29PA270965 71% 0.532 PF00291 C3_S188 - (59)20 - / 11 / 47 8
30PA377452 49% 0.579 PF00850 C6_S136 - (0)20 - / 4 / 24 6
31PA455760 67% 0.630 PF02401 C9_S1117 - (0)20 - / 3 / 72 11
32PA428073 45% 0.549 PF08279 C6_S1109 - (93)20 13 / 32 / 13 13
33PA308336 50% 0.453 PF01433 C3_S1114 - (27)20 - / 8 / 21 20
34PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
35PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
36PA381088 42% 0.529 PF00012 C5_S1102 - (0)20 4 / 56 / 15 9
37PA289150 62% 0.487 PF02786 C2_S159 - (26)20 1 / 19 / 22 18
38PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
39PA065042 59% 0.604 PF00591 C11_S175 - (1)20 - / 13 / 30 8
40PA382350 54% 0.593 PF01702 C4_S145 - (17)20 - / 10 / 23 21
41PA365794 100% 0.535 PF00557 C2_S184 - (1)20 - / 9 / 63 35
42PA140053 53% 0.486 PF02786 C2_S155 - (23)20 - / 16 / 24 16
43PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
44PA543650 56% 0.530 PF02786 C1_S166 - (31)20 - / 15 / 27 17
45PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
46PA274887 57% 0.496 PF00557 C2_S183 - (1)20 - / 4 / 71 35
47PA296547 100% 0.534 PF02801 C3_S154 - (5)20 - / 7 / 16 9
48PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
49PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
50PA152930 57% 0.512 PF03119 C4_S151 - (28)20 - / 16 / 15 14

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