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_121971 38% 0.624 PF00557 C2_S183 - (1)20 - / - / 46 24
2jhp_072968 95% 0.515 PF01327 C2_S176 - (12)20 - / 21 / 33 11
3jhp_020263 36% 0.463 PF13288 C6_S1123 - (58)20 27 / 12 / 21 12
4jhp_076849 61% 0.508 PF00478 C2_S168 - (47)20 - / 17 / 25 5
5jhp_045363 52% 0.434 PF01751 C2_S167 - (0)20 5 / 22 / 19 15
6jhp_119844 48% 0.724 PF00290 C2_S143 - (23)20 - / 24 / 16 17
7jhp_136397 43% 0.567 PF00476 C5_S1368 - (220)20 50 / 40 / 21 11
8jhp_114251 94% 0.497 PF01255 C8_S1102 - (28)20 3 / 20 / 25 14
9jhp_084033 50% 0.583 PF00871 C5_S154 - (44)20 2 / 2 / 18 12
10jhp_008267 100% 0.574 PF01048 C1_S195 - (50)20 - / 38 / 20 15
11jhp_115351 34% 0.583 PF00809 C4_S168 - (29)20 - / 3 / 45 25
12jhp_111434 48% 0.421 PF02774 C2_S164 - (35)20 11 / 12 / 15 8
13jhp_110469 54% 0.555 PF01048 C2_S171 - (49)20 - / - / 55 13
14jhp_098123 42% 0.598 PF02401 C6_S142 - (0)20 - / 1 / 37 14
15jhp_018469 73% 0.636 PF00334 C7_S160 - (51)20 - / 26 / 28 13
16jhp_018170 98% 0.533 PF00106 C1_S1150 - (83)20 29 / 39 / 10 9
17jhp_136170 58% 0.533 PF01063 C8_S1162 - (136)20 - / 3 / 61 0
18jhp_0006105 45% 0.484 PF02569 C5_S1295 - (220)20 11 / 47 / 31 24
19jhp_101147 66% 0.583 PF02786 C1_S175 - (36)20 1 / 16 / 27 18
20jhp_126650 45% 0.644 PF03167 C8_S180 - (0)20 1 / 8 / 29 11
21jhp_026643 43% 0.595 PF01702 C4_S133 - (8)20 - / 5 / 20 19
22jhp_037367 44% 0.527 PF03331 C13_S1107 - (0)20 - / 38 / 23 21
23jhp_010188 66% 0.627 PF00012 C3_S1102 - (0)20 12 / 51 / 12 9
24jhp_109347 53% 0.545 PF00342 C5_S140 - (39)20 - / - / 39 11
25jhp_018056 39% 0.576 PF00121 C9_S158 - (44)20 - / - / 28 0
26jhp_129038 99% 0.524 PF07977 C4_S126 - (1)19 - / - / 18 2
27jhp_034158 39% 0.566 PF02729 C9_S155 - (43)19 - / 23 / 11 6
28jhp_050536 50% 0.469 PF02801 C4_S132 - (9)19 - / 7 / 14 9
29jhp_023942 53% 0.506 PF00709 C4_S170 - (52)18 - / 31 / 10 7
30jhp_000358 51% 0.589 PF00793 C5_S181 - (78)18 - / 1 / 48 11
31jhp_018837 47% 0.544 PF08541 C2_S153 - (32)17 1 / 10 / 9 3
32jhp_136847 98% 0.530 PF01467 C2_S1100 - (82)17 6 / 15 / 21 8
33jhp_040440 46% 0.463 PF02542 C6_S176 - (50)17 - / - / 20 2
34jhp_038629 100% 0.570 PF01220 C6_S130 - (3)17 3 / 15 / 4 8
35jhp_004837 35% 0.355 PF00171 C3_S155 - (0)16 2 / 7 / 7 3
36jhp_097737 100% 0.761 PF01230 C4_S174 - (0)16 - / 15 / 13 9
37jhp_002337 71% 0.615 PF00180 C7_S157 - (53)16 1 / 14 / 22 5
38jhp_086439 92% 0.562 PF00348 C1_S171 - (53)16 - / 2 / 24 6
39jhp_126451 49% 0.588 PF00162 C7_S183 - (73)15 - / 21 / 25 8
40jhp_009967 93% 0.620 PF00291 C3_S172 - (55)15 - / 8 / 51 7
41jhp_017172 68% 0.526 PF00464 C1_S197 - (45)15 - / 2 / 49 5
42jhp_052427 53% 0.571 PF02882 C7_S151 - (38)14 - / 9 / 10 4
43jhp_057541 48% 0.526 PF00374 C5_S127 - (0)14 - / - / 21 7
44jhp_119956 66% 0.533 PF00291 C2_S196 - (90)14 7 / 12 / 36 9
45jhp_029133 49% 0.543 PF00202 C1_S175 - (29)14 - / - / 33 5
46jhp_011331 43% 0.512 PF07973 C1_S126 - (10)14 4 / 13 / 3 8
47jhp_066138 99% 0.606 PF00710 C10_S129 - (29)14 - / - / 20 4
48jhp_015034 51% 0.587 PF00490 C6_S130 - (18)14 - / - / 14 2
49jhp_091033 35% 0.520 PF00202 C1_S159 - (37)14 - / 3 / 22 7
50jhp_078122 40% 0.660 PF02581 C3_S151 - (40)14 - / 8 / 13 4

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