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_136397 43% 0.567 PF00476 C5_S1368 - (220)20 50 / 40 / 21 11
2jhp_0006105 45% 0.484 PF02569 C5_S1295 - (220)20 11 / 47 / 31 24
3jhp_041255 42% 0.504 PF01180 C4_S1176 - (112)8 49 / 4 / 6 2
4jhp_136170 58% 0.533 PF01063 C8_S1162 - (136)20 - / 3 / 61 0
5jhp_100550 33% 0.532 PF00762 C6_S1150 - (0)10 18 / 3 / 23 4
6jhp_018170 98% 0.533 PF00106 C1_S1150 - (83)20 29 / 39 / 10 9
7jhp_133445 48% 0.586 PF00160 C4_S1149 - (2)5 - / 18 / 4 2
8jhp_118021 47% 0.506 PF02146 C4_S1137 - (38)1 2 / 3 / - 0
9jhp_020263 36% 0.463 PF13288 C6_S1123 - (58)20 27 / 12 / 21 12
10jhp_141551 50% 0.524 PF03372 C1_S1121 - (2)7 - / 5 / 24 1
11jhp_079964 46% 0.542 PF00692 C2_S1119 - (92)11 - / - / 34 4
12jhp_01001 43% 0.417 PF12102 117 - (0)? - / - / - 0
13jhp_146020 40% 0.325 PF13631 115 - (0)? - / - / - 0
14jhp_14019 39% 0.529 PF13237 114 - (0)? - / - / - 0
15jhp_10362 41% 0.505 PF07992 114 - (0)? - / - / - 0
16jhp_11895 57% 0.485 PF02775 114 - (0)? - / - / - 0
17jhp_026212 60% 0.439 PF00037 114 - (0)? - / - / - 0
18jhp_053611 64% 0.407 PF07992 114 - (0)? - / - / - 0
19jhp_113321 45% 0.627 PF00132 C2_S1114 - (72)6 - / - / 13 1
20jhp_06116 37% 0.349 PF13085 114 - (0)? - / - / - 0
21jhp_01264 37% 0.506 PF13183 114 - (0)? - / - / - 0
22jhp_037367 44% 0.527 PF03331 C13_S1107 - (0)20 - / 38 / 23 21
23jhp_041055 55% 0.546 PF00701 C5_S1105 - (102)13 - / - / 16 3
24jhp_114251 94% 0.497 PF01255 C8_S1102 - (28)20 3 / 20 / 25 14
25jhp_010188 66% 0.627 PF00012 C3_S1102 - (0)20 12 / 51 / 12 9
26jhp_11352 39% 0.144 PF00137 100 - (0)? - / - / - 0
27jhp_136847 98% 0.530 PF01467 C2_S1100 - (82)17 6 / 15 / 21 8
28jhp_04190 36% 0.360 PF00071 98 - (93)? - / - / - 0
29jhp_017172 68% 0.526 PF00464 C1_S197 - (45)15 - / 2 / 49 5
30jhp_076424 98% 0.605 PF07992 C3_S197 - (84)6 9 / 3 / 1 2
31jhp_119956 66% 0.533 PF00291 C2_S196 - (90)14 7 / 12 / 36 9
32jhp_008267 100% 0.574 PF01048 C1_S195 - (50)20 - / 38 / 20 15
33jhp_038819 35% 0.625 PF01288 C11_S192 - (40)2 - / - / 3 2
34jhp_00441 53% 0.329 PF02008 C9_S192 - (33)2 - / - / 1 0
35jhp_142113 97% 0.495 PF02511 C5_S192 - (79)2 - / 4 / - 1
36jhp_088820 96% 0.592 PF00881 C1_S188 - (55)2 - / - / 1 1
37jhp_11486 41% 0.612 PF00034 86 - (0)? - / - / - 0
38jhp_018219 47% 0.425 PF00132 C2_S186 - (0)2 - / - / 2 0
39jhp_102022 38% 0.522 PF01370 C1_S185 - (71)1 2 / - / - 1
40jhp_056125 39% 0.589 PF05191 C1_S183 - (68)7 3 / 2 / 5 4
41jhp_121971 38% 0.624 PF00557 C2_S183 - (1)20 - / - / 46 24
42jhp_126451 49% 0.588 PF00162 C7_S183 - (73)15 - / 21 / 25 8
43jhp_028633 38% 0.467 PF00005 C1_S183 - (0)10 - / 2 / 14 5
44jhp_039018 56% 0.543 PF01656 C2_S182 - (73)2 - / - / 1 1
45jhp_013517 43% 0.330 PF00034 82 - (59)? - / - / - 0
46jhp_084620 38% 0.351 PF12950 82 - (36)? - / - / - 0
47jhp_000358 51% 0.589 PF00793 C5_S181 - (78)18 - / 1 / 48 11
48jhp_108823 97% 0.595 PF00258 C4_S181 - (78)2 2 / 5 / - 1
49jhp_126650 45% 0.644 PF03167 C8_S180 - (0)20 1 / 8 / 29 11
50jhp_132745 44% 0.465 PF00551 C5_S179 - (15)12 - / 23 / 4 8

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