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_0006105 45% 0.484 PF02569 C5_S1295 - (220)20 11 / 47 / 31 24
2jhp_136397 43% 0.567 PF00476 C5_S1368 - (220)20 50 / 40 / 21 11
3jhp_010188 66% 0.627 PF00012 C3_S1102 - (0)20 12 / 51 / 12 9
4jhp_017172 68% 0.526 PF00464 C1_S197 - (45)15 - / 2 / 49 5
5jhp_121971 38% 0.624 PF00557 C2_S183 - (1)20 - / - / 46 24
6jhp_018170 98% 0.533 PF00106 C1_S1150 - (83)20 29 / 39 / 10 9
7jhp_136170 58% 0.533 PF01063 C8_S1162 - (136)20 - / 3 / 61 0
8jhp_110469 54% 0.555 PF01048 C2_S171 - (49)20 - / - / 55 13
9jhp_018469 73% 0.636 PF00334 C7_S160 - (51)20 - / 26 / 28 13
10jhp_072968 95% 0.515 PF01327 C2_S176 - (12)20 - / 21 / 33 11
11jhp_009967 93% 0.620 PF00291 C3_S172 - (55)15 - / 8 / 51 7
12jhp_037367 44% 0.527 PF03331 C13_S1107 - (0)20 - / 38 / 23 21
13jhp_008267 100% 0.574 PF01048 C1_S195 - (50)20 - / 38 / 20 15
14jhp_079964 46% 0.542 PF00692 C2_S1119 - (92)11 - / - / 34 4
15jhp_045363 52% 0.434 PF01751 C2_S167 - (0)20 5 / 22 / 19 15
16jhp_020263 36% 0.463 PF13288 C6_S1123 - (58)20 27 / 12 / 21 12
17jhp_034158 39% 0.566 PF02729 C9_S155 - (43)19 - / 23 / 11 6
18jhp_000358 51% 0.589 PF00793 C5_S181 - (78)18 - / 1 / 48 11
19jhp_018056 39% 0.576 PF00121 C9_S158 - (44)20 - / - / 28 0
20jhp_119956 66% 0.533 PF00291 C2_S196 - (90)14 7 / 12 / 36 9
21jhp_041255 42% 0.504 PF01180 C4_S1176 - (112)8 49 / 4 / 6 2
22jhp_041055 55% 0.546 PF00701 C5_S1105 - (102)13 - / - / 16 3
23jhp_014254 63% 0.611 PF03952 C1_S138 - (30)11 - / 3 / 26 6
24jhp_126451 49% 0.588 PF00162 C7_S183 - (73)15 - / 21 / 25 8
25jhp_141551 50% 0.524 PF03372 C1_S1121 - (2)7 - / 5 / 24 1
26jhp_114251 94% 0.497 PF01255 C8_S1102 - (28)20 3 / 20 / 25 14
27jhp_115351 34% 0.583 PF00809 C4_S168 - (29)20 - / 3 / 45 25
28jhp_126650 45% 0.644 PF03167 C8_S180 - (0)20 1 / 8 / 29 11
29jhp_100550 33% 0.532 PF00762 C6_S1150 - (0)10 18 / 3 / 23 4
30jhp_076849 61% 0.508 PF00478 C2_S168 - (47)20 - / 17 / 25 5
31jhp_091347 46% 0.642 PF00091 C3_S155 - (0)8 - / 3 / 29 4
32jhp_023247 44% 0.729 PF00271 C3_S161 - (0)12 1 / 13 / 23 6
33jhp_109347 53% 0.545 PF00342 C5_S140 - (39)20 - / - / 39 11
34jhp_136847 98% 0.530 PF01467 C2_S1100 - (82)17 6 / 15 / 21 8
35jhp_101147 66% 0.583 PF02786 C1_S175 - (36)20 1 / 16 / 27 18
36jhp_085546 45% 0.533 PF00044 C4_S153 - (35)8 12 / 16 / 4 2
37jhp_133445 48% 0.586 PF00160 C4_S1149 - (2)5 - / 18 / 4 2
38jhp_126545 48% 0.463 PF00044 C4_S139 - (30)4 10 / 14 / 2 2
39jhp_068545 39% 0.539 PF08402 C1_S141 - (0)12 - / 10 / 19 7
40jhp_107945 48% 0.578 PF02978 C5_S160 - (0)13 3 / 13 / 13 4
41jhp_132745 44% 0.465 PF00551 C5_S179 - (15)12 - / 23 / 4 8
42jhp_112845 75% 0.590 PF03143 C3_S166 - (0)4 14 / 20 / 4 2
43jhp_026844 40% 0.570 PF01202 C4_S165 - (62)6 5 / 16 / 14 2
44jhp_119844 48% 0.724 PF00290 C2_S143 - (23)20 - / 24 / 16 17
45jhp_026643 43% 0.595 PF01702 C4_S133 - (8)20 - / 5 / 20 19
46jhp_023942 53% 0.506 PF00709 C4_S170 - (52)18 - / 31 / 10 7
47jhp_062441 50% 0.547 PF12804 C1_S153 - (35)12 2 / 15 / 9 6
48jhp_057541 48% 0.526 PF00374 C5_S127 - (0)14 - / - / 21 7
49jhp_064141 58% 0.474 PF00521 C6_S166 - (0)8 - / 1 / 30 1
50jhp_040440 46% 0.463 PF02542 C6_S176 - (50)17 - / - / 20 2

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