Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000804 (Helicobacter pylori - Dec 2015)

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]
1jhp_115351 34% 0.583 PF00809 C4_S168 - (29)20 - / 3 / 45 25
2jhp_121971 38% 0.624 PF00557 C2_S183 - (1)20 - / - / 46 24
3jhp_0006105 45% 0.484 PF02569 C5_S1295 - (220)20 11 / 47 / 31 24
4jhp_037367 44% 0.527 PF03331 C13_S1107 - (0)20 - / 38 / 23 21
5jhp_026643 43% 0.595 PF01702 C4_S133 - (8)20 - / 5 / 20 19
6jhp_101147 66% 0.583 PF02786 C1_S175 - (36)20 1 / 16 / 27 18
7jhp_119844 48% 0.724 PF00290 C2_S143 - (23)20 - / 24 / 16 17
8jhp_045363 52% 0.434 PF01751 C2_S167 - (0)20 5 / 22 / 19 15
9jhp_008267 100% 0.574 PF01048 C1_S195 - (50)20 - / 38 / 20 15
10jhp_114251 94% 0.497 PF01255 C8_S1102 - (28)20 3 / 20 / 25 14
11jhp_098123 42% 0.598 PF02401 C6_S142 - (0)20 - / 1 / 37 14
12jhp_018469 73% 0.636 PF00334 C7_S160 - (51)20 - / 26 / 28 13
13jhp_110469 54% 0.555 PF01048 C2_S171 - (49)20 - / - / 55 13
14jhp_020263 36% 0.463 PF13288 C6_S1123 - (58)20 27 / 12 / 21 12
15jhp_084033 50% 0.583 PF00871 C5_S154 - (44)20 2 / 2 / 18 12
16jhp_072968 95% 0.515 PF01327 C2_S176 - (12)20 - / 21 / 33 11
17jhp_109347 53% 0.545 PF00342 C5_S140 - (39)20 - / - / 39 11
18jhp_126650 45% 0.644 PF03167 C8_S180 - (0)20 1 / 8 / 29 11
19jhp_136397 43% 0.567 PF00476 C5_S1368 - (220)20 50 / 40 / 21 11
20jhp_000358 51% 0.589 PF00793 C5_S181 - (78)18 - / 1 / 48 11
21jhp_119956 66% 0.533 PF00291 C2_S196 - (90)14 7 / 12 / 36 9
22jhp_050536 50% 0.469 PF02801 C4_S132 - (9)19 - / 7 / 14 9
23jhp_018170 98% 0.533 PF00106 C1_S1150 - (83)20 29 / 39 / 10 9
24jhp_097831 53% 0.295 PF01409 C3_S118 - (13)11 3 / 6 / 6 9
25jhp_010188 66% 0.627 PF00012 C3_S1102 - (0)20 12 / 51 / 12 9
26jhp_097737 100% 0.761 PF01230 C4_S174 - (0)16 - / 15 / 13 9
27jhp_038629 100% 0.570 PF01220 C6_S130 - (3)17 3 / 15 / 4 8
28jhp_136847 98% 0.530 PF01467 C2_S1100 - (82)17 6 / 15 / 21 8
29jhp_111434 48% 0.421 PF02774 C2_S164 - (35)20 11 / 12 / 15 8
30jhp_132745 44% 0.465 PF00551 C5_S179 - (15)12 - / 23 / 4 8
31jhp_011331 43% 0.512 PF07973 C1_S126 - (10)14 4 / 13 / 3 8
32jhp_126451 49% 0.588 PF00162 C7_S183 - (73)15 - / 21 / 25 8
33jhp_009967 93% 0.620 PF00291 C3_S172 - (55)15 - / 8 / 51 7
34jhp_091033 35% 0.520 PF00202 C1_S159 - (37)14 - / 3 / 22 7
35jhp_119620 40% 0.523 PF00408 C2_S117 - (15)12 - / 3 / 8 7
36jhp_068545 39% 0.539 PF08402 C1_S141 - (0)12 - / 10 / 19 7
37jhp_057541 48% 0.526 PF00374 C5_S127 - (0)14 - / - / 21 7
38jhp_023942 53% 0.506 PF00709 C4_S170 - (52)18 - / 31 / 10 7
39jhp_086439 92% 0.562 PF00348 C1_S171 - (53)16 - / 2 / 24 6
40jhp_014254 63% 0.611 PF03952 C1_S138 - (30)11 - / 3 / 26 6
41jhp_023247 44% 0.729 PF00271 C3_S161 - (0)12 1 / 13 / 23 6
42jhp_116225 52% 0.396 PF07973 C3_S138 - (21)13 1 / 4 / 7 6
43jhp_017025 50% 0.483 PF01336 C7_S138 - (24)12 - / 7 / 5 6
44jhp_128924 98% 0.575 PF00132 C2_S159 - (24)10 - / 2 / 11 6
45jhp_062441 50% 0.547 PF12804 C1_S153 - (35)12 2 / 15 / 9 6
46jhp_034158 39% 0.566 PF02729 C9_S155 - (43)19 - / 23 / 11 6
47jhp_120126 41% 0.590 PF00591 C2_S131 - (1)9 - / 4 / 8 5
48jhp_120023 50% 0.503 PF00218 C6_S119 - (5)11 - / 5 / 4 5
49jhp_017172 68% 0.526 PF00464 C1_S197 - (45)15 - / 2 / 49 5
50jhp_076849 61% 0.508 PF00478 C2_S168 - (47)20 - / 17 / 25 5

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