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]
50jhp_132745 44% 0.465 PF00551 C5_S179 - (15)12 - / 23 / 4 8
51jhp_013214 44% 0.373 PF00115 79 - (3)? - / - / - 0
52jhp_105020 39% 0.486 PF00855 77 - (27)? - / - / - 0
53jhp_040440 46% 0.463 PF02542 C6_S176 - (50)17 - / - / 20 2
54jhp_045020 38% 0.392 PF13520 76 - (0)? - / - / - 0
55jhp_034332 39% 0.441 PF00005 C3_S176 - (76)7 - / 9 / 6 4
56jhp_072968 95% 0.515 PF01327 C2_S176 - (12)20 - / 21 / 33 11
57jhp_101147 66% 0.583 PF02786 C1_S175 - (36)20 1 / 16 / 27 18
58jhp_029133 49% 0.543 PF00202 C1_S175 - (29)14 - / - / 33 5
59jhp_097737 100% 0.761 PF01230 C4_S174 - (0)16 - / 15 / 13 9
60jhp_10685 34% 0.476 PF08279 74 - (65)1 - / - / - 0
61jhp_062720 43% 0.561 PF07670 C7_S173 - (0)? - / 2 / - 0
62jhp_040920 38% 0.613 PF00106 C2_S172 - (48)2 - / - / 4 0
63jhp_009967 93% 0.620 PF00291 C3_S172 - (55)15 - / 8 / 51 7
64jhp_110469 54% 0.555 PF01048 C2_S171 - (49)20 - / - / 55 13
65jhp_003920 37% 0.502 PF01370 71 - (58)? - / - / - 0
66jhp_10919 58% 0.404 PF07992 71 - (59)? - / - / - 0
67jhp_086439 92% 0.562 PF00348 C1_S171 - (53)16 - / 2 / 24 6
68jhp_043520 34% 0.445 PF05958 C4_S170 - (22)3 - / 2 / 1 1
69jhp_023942 53% 0.506 PF00709 C4_S170 - (52)18 - / 31 / 10 7
70jhp_142821 54% 0.445 PF05222 C2_S169 - (68)7 4 / 4 / 3 2
71jhp_076849 61% 0.508 PF00478 C2_S168 - (47)20 - / 17 / 25 5
72jhp_078226 49% 0.559 PF08543 C1_S168 - (53)7 - / - / 7 0
73jhp_115351 34% 0.583 PF00809 C4_S168 - (29)20 - / 3 / 45 25
74jhp_112939 44% 0.367 PF00005 C1_S168 - (67)5 - / 19 / - 3
75jhp_077820 97% 0.463 PF02719 C1_S167 - (61)7 14 / 1 / 2 2
76jhp_045363 52% 0.434 PF01751 C2_S167 - (0)20 5 / 22 / 19 15
77jhp_112845 75% 0.590 PF03143 C3_S166 - (0)4 14 / 20 / 4 2
78jhp_064141 58% 0.474 PF00521 C6_S166 - (0)8 - / 1 / 30 1
79jhp_12568 38% 0.560 PF01467 C2_S165 - (40)2 - / - / 2 1
80jhp_026844 40% 0.570 PF01202 C4_S165 - (62)6 5 / 16 / 14 2
81jhp_014520 99% 0.694 PF01202 C2_S164 - (51)7 - / 2 / 4 3
82jhp_111434 48% 0.421 PF02774 C2_S164 - (35)20 11 / 12 / 15 8
83jhp_000228 50% 0.565 PF00885 C6_S163 - (41)2 - / 1 / 10 3
84jhp_098423 36% 0.504 PF02826 C1_S162 - (45)2 4 / 2 / - 1
85jhp_096820 38% 0.420 PF02353 C2_S162 - (35)9 - / 16 / 5 0
86jhp_023247 44% 0.729 PF00271 C3_S161 - (0)12 1 / 13 / 23 6
87jhp_064021 41% 0.375 PF01219 C3_S160 - (0)1 - / - / 1 1
88jhp_018469 73% 0.636 PF00334 C7_S160 - (51)20 - / 26 / 28 13
89jhp_107945 48% 0.578 PF02978 C5_S160 - (0)13 3 / 13 / 13 4
90jhp_045917 29% 0.409 PF01565 59 - (50)? - / - / - 0
91jhp_117033 94% 0.582 PF08501 C4_S159 - (54)9 2 / 3 / 20 4
92jhp_019918 50% 0.513 PF13932 C4_S159 - (43)2 2 / - / - 1
93jhp_105420 42% 0.396 PF00691 C4_S159 - (0)4 - / - / 3 3
94jhp_058620 90% 0.609 PF00881 C4_S159 - (37)2 - / - / 1 0
95jhp_128924 98% 0.575 PF00132 C2_S159 - (24)10 - / 2 / 11 6
96jhp_091033 35% 0.520 PF00202 C1_S159 - (37)14 - / 3 / 22 7
97jhp_073021 99% 0.575 PF00574 C7_S159 - (0)1 - / - / 1 0
98jhp_018056 39% 0.576 PF00121 C9_S158 - (44)20 - / - / 28 0
99jhp_04306 32% 0.396 PF12950 57 - (22)? - / - / - 0
100jhp_128121 32% 0.523 PF03853 C4_S157 - (46)11 - / 4 / 7 4

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