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_041255 42% 0.504 PF01180 C4_S1176 - (112)8 49 / 4 / 6 2
3jhp_018170 98% 0.533 PF00106 C1_S1150 - (83)20 29 / 39 / 10 9
4jhp_020263 36% 0.463 PF13288 C6_S1123 - (58)20 27 / 12 / 21 12
5jhp_100550 33% 0.532 PF00762 C6_S1150 - (0)10 18 / 3 / 23 4
6jhp_008136 61% 0.576 PF04545 C5_S129 - (0)2 17 / - / - 0
7jhp_135425 49% 0.471 PF00034 C5_S146 - (35)6 15 / - / - 2
8jhp_112845 75% 0.590 PF03143 C3_S166 - (0)4 14 / 20 / 4 2
9jhp_077820 97% 0.463 PF02719 C1_S167 - (61)7 14 / 1 / 2 2
10jhp_080928 97% 0.487 PF06628 C6_S123 - (4)2 14 / - / - 1
11jhp_010188 66% 0.627 PF00012 C3_S1102 - (0)20 12 / 51 / 12 9
12jhp_085546 45% 0.533 PF00044 C4_S153 - (35)8 12 / 16 / 4 2
13jhp_0006105 45% 0.484 PF02569 C5_S1295 - (220)20 11 / 47 / 31 24
14jhp_111434 48% 0.421 PF02774 C2_S164 - (35)20 11 / 12 / 15 8
15jhp_126545 48% 0.463 PF00044 C4_S139 - (30)4 10 / 14 / 2 2
16jhp_076424 98% 0.605 PF07992 C3_S197 - (84)6 9 / 3 / 1 2
17jhp_102325 50% 0.450 PF00106 C1_S150 - (38)4 9 / - / - 2
18jhp_055122 46% 0.601 PF01208 C5_S113 - (10)5 8 / - / - 2
19jhp_142920 62% 0.594 PF00107 C1_S146 - (34)6 8 / - / - 2
20jhp_119956 66% 0.533 PF00291 C2_S196 - (90)14 7 / 12 / 36 9
21jhp_136847 98% 0.530 PF01467 C2_S1100 - (82)17 6 / 15 / 21 8
22jhp_117431 53% 0.596 PF00579 C5_S132 - (24)11 6 / 1 / 6 3
23jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
24jhp_10499 54% 0.444 PF00121 C1_S116 - (0)2 6 / 1 / 1 0
25jhp_046614 66% 0.363 PF01926 C1_S155 - (0)3 6 / 1 / - 2
26jhp_045363 52% 0.434 PF01751 C2_S167 - (0)20 5 / 22 / 19 15
27jhp_026844 40% 0.570 PF01202 C4_S165 - (62)6 5 / 16 / 14 2
28jhp_050832 98% 0.585 PF00106 C1_S152 - (35)11 5 / 6 / - 3
29jhp_108621 94% 0.566 PF02661 C8_S124 - (0)6 5 / 2 / 3 3
30jhp_070040 49% 0.516 PF02978 C8_S156 - (0)9 4 / 14 / 7 4
31jhp_011331 43% 0.512 PF07973 C1_S126 - (10)14 4 / 13 / 3 8
32jhp_036620 69% 0.576 PF05496 C2_S121 - (0)5 4 / 5 / 4 3
33jhp_064616 45% 0.491 PF01795 C1_S18 - (7)1 4 / 5 / - 0
34jhp_142821 54% 0.445 PF05222 C2_S169 - (68)7 4 / 4 / 3 2
35jhp_104120 56% 0.485 PF00271 C1_S116 - (0)3 4 / 3 / 1 0
36jhp_098423 36% 0.504 PF02826 C1_S162 - (45)2 4 / 2 / - 1
37jhp_089519 39% 0.533 PF01210 C1_S123 - (15)5 4 / 1 / 1 3
38jhp_058524 37% 0.535 PF03446 C1_S120 - (16)3 4 / 1 / - 2
39jhp_132319 41% 0.572 PF07521 C1_S118 - (0)3 4 / - / 2 2
40jhp_114251 94% 0.497 PF01255 C8_S1102 - (28)20 3 / 20 / 25 14
41jhp_038629 100% 0.570 PF01220 C6_S130 - (3)17 3 / 15 / 4 8
42jhp_107945 48% 0.578 PF02978 C5_S160 - (0)13 3 / 13 / 13 4
43jhp_022215 46% 0.501 PF03900 C4_S125 - (7)4 3 / 7 / 1 2
44jhp_097831 53% 0.295 PF01409 C3_S118 - (13)11 3 / 6 / 6 9
45jhp_056717 54% 0.484 PF08245 C1_S130 - (19)6 3 / 3 / - 2
46jhp_056125 39% 0.589 PF05191 C1_S183 - (68)7 3 / 2 / 5 4
47jhp_003820 59% 0.479 PF01370 C1_S155 - (51)4 3 / 2 / - 2
48jhp_053220 43% 0.512 PF14815 C1_S145 - (0)2 3 / 1 / - 0
49jhp_003022 100% 0.704 PF02261 C1_S139 - (6)2 3 / - / 2 2
50jhp_103020 93% 0.562 PF00107 C1_S135 - (26)5 3 / - / 2 1

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