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_142022 41% 0.495 PF01380 C2_S114 - (13)10 - / - / 11 5
51jhp_029133 49% 0.543 PF00202 C1_S175 - (29)14 - / - / 33 5
52jhp_014134 65% 0.564 PF00154 C1_S132 - (0)11 - / 15 / 9 5
53jhp_120023 50% 0.503 PF00218 C6_S119 - (5)11 - / 5 / 4 5
54jhp_017172 68% 0.526 PF00464 C1_S197 - (45)15 - / 2 / 49 5
55jhp_028633 38% 0.467 PF00005 C1_S183 - (0)10 - / 2 / 14 5
56jhp_120126 41% 0.590 PF00591 C2_S131 - (1)9 - / 4 / 8 5
57jhp_076849 61% 0.508 PF00478 C2_S168 - (47)20 - / 17 / 25 5
58jhp_107525 38% 0.490 PF01746 C4_S127 - (18)10 - / 10 / 11 5
59jhp_056125 39% 0.589 PF05191 C1_S183 - (68)7 3 / 2 / 5 4
60jhp_070040 49% 0.516 PF02978 C8_S156 - (0)9 4 / 14 / 7 4
61jhp_111224 99% 0.528 PF00194 C8_S123 - (2)9 - / - / 6 4
62jhp_079964 46% 0.542 PF00692 C2_S1119 - (92)11 - / - / 34 4
63jhp_021529 40% 0.513 PF02348 C1_S148 - (36)10 - / 8 / 7 4
64jhp_052427 53% 0.571 PF02882 C7_S151 - (38)14 - / 9 / 10 4
65jhp_100550 33% 0.532 PF00762 C6_S1150 - (0)10 18 / 3 / 23 4
66jhp_066138 99% 0.606 PF00710 C10_S129 - (29)14 - / - / 20 4
67jhp_098917 55% 0.452 PF07194 C3_S118 - (18)7 - / - / 13 4
68jhp_117033 94% 0.582 PF08501 C4_S159 - (54)9 2 / 3 / 20 4
69jhp_091347 46% 0.642 PF00091 C3_S155 - (0)8 - / 3 / 29 4
70jhp_098026 40% 0.513 PF00275 C8_S136 - (21)7 2 / 2 / 6 4
71jhp_016225 99% 0.662 PF01116 C5_S120 - (16)6 - / - / 15 4
72jhp_009831 95% 0.553 PF01053 C1_S119 - (13)11 - / - / 9 4
73jhp_052122 45% 0.547 PF02502 C7_S124 - (0)11 - / - / 5 4
74jhp_079030 79% 0.584 PF00478 C1_S155 - (40)7 - / 4 / 8 4
75jhp_050633 63% 0.863 PF00550 C5_S125 - (0)12 - / - / 10 4
76jhp_054729 34% 0.317 PF00005 C2_S127 - (26)6 - / 11 / 2 4
77jhp_107945 48% 0.578 PF02978 C5_S160 - (0)13 3 / 13 / 13 4
78jhp_137326 49% 0.442 PF00587 C1_S126 - (24)6 - / 9 / 7 4
79jhp_139025 48% 0.478 PF01195 C2_S122 - (0)12 - / 1 / 8 4
80jhp_078122 40% 0.660 PF02581 C3_S151 - (40)14 - / 8 / 13 4
81jhp_034332 39% 0.441 PF00005 C3_S176 - (76)7 - / 9 / 6 4
82jhp_128121 32% 0.523 PF03853 C4_S157 - (46)11 - / 4 / 7 4
83jhp_012222 47% 0.592 PF01474 C4_S112 - (9)7 - / 2 / 5 3
84jhp_117431 53% 0.596 PF00579 C5_S132 - (24)11 6 / 1 / 6 3
85jhp_036620 69% 0.576 PF05496 C2_S121 - (0)5 4 / 5 / 4 3
86jhp_004837 35% 0.355 PF00171 C3_S155 - (0)16 2 / 7 / 7 3
87jhp_023522 37% 0.498 PF00005 C3_S138 - (0)5 - / - / 5 3
88jhp_035324 39% 0.337 PF00702 C3_S117 - (0)6 - / 6 / 2 3
89jhp_071424 99% 0.626 PF00696 C1_S126 - (17)7 - / 3 / 4 3
90jhp_049640 100% 0.649 PF01177 C4_S148 - (36)8 - / 1 / 37 3
91jhp_056920 44% 0.538 PF04551 C7_S122 - (0)4 - / - / 5 3
92jhp_017813 70% 0.503 PF02910 C3_S151 - (45)3 - / - / 3 3
93jhp_032320 49% 0.541 PF00117 C2_S113 - (9)6 - / - / 5 3
94jhp_028728 37% 0.589 PF08402 C1_S142 - (0)5 - / 1 / 7 3
95jhp_127329 96% 0.558 PF02749 C6_S138 - (21)8 - / - / 14 3
96jhp_110527 45% 0.570 PF01676 C6_S115 - (2)6 - / - / 7 3
97jhp_089519 39% 0.533 PF01210 C1_S123 - (15)5 4 / 1 / 1 3
98jhp_149120 34% 0.476 PF00814 C4_S122 - (22)6 - / 6 / 1 3
99jhp_062125 39% 0.412 PF00317 C6_S130 - (30)5 - / 2 / 8 3
100jhp_050832 98% 0.585 PF00106 C1_S152 - (35)11 5 / 6 / - 3

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