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_015034 51% 0.587 PF00490 C6_S130 - (18)14 - / - / 14 2
51jhp_041055 55% 0.546 PF00701 C5_S1105 - (102)13 - / - / 16 3
52jhp_107945 48% 0.578 PF02978 C5_S160 - (0)13 3 / 13 / 13 4
53jhp_116225 52% 0.396 PF07973 C3_S138 - (21)13 1 / 4 / 7 6
54jhp_119620 40% 0.523 PF00408 C2_S117 - (15)12 - / 3 / 8 7
55jhp_068545 39% 0.539 PF08402 C1_S141 - (0)12 - / 10 / 19 7
56jhp_062441 50% 0.547 PF12804 C1_S153 - (35)12 2 / 15 / 9 6
57jhp_023247 44% 0.729 PF00271 C3_S161 - (0)12 1 / 13 / 23 6
58jhp_050633 63% 0.863 PF00550 C5_S125 - (0)12 - / - / 10 4
59jhp_132745 44% 0.465 PF00551 C5_S179 - (15)12 - / 23 / 4 8
60jhp_017025 50% 0.483 PF01336 C7_S138 - (24)12 - / 7 / 5 6
61jhp_139025 48% 0.478 PF01195 C2_S122 - (0)12 - / 1 / 8 4
62jhp_097831 53% 0.295 PF01409 C3_S118 - (13)11 3 / 6 / 6 9
63jhp_050832 98% 0.585 PF00106 C1_S152 - (35)11 5 / 6 / - 3
64jhp_009831 95% 0.553 PF01053 C1_S119 - (13)11 - / - / 9 4
65jhp_120023 50% 0.503 PF00218 C6_S119 - (5)11 - / 5 / 4 5
66jhp_052122 45% 0.547 PF02502 C7_S124 - (0)11 - / - / 5 4
67jhp_014254 63% 0.611 PF03952 C1_S138 - (30)11 - / 3 / 26 6
68jhp_128121 32% 0.523 PF03853 C4_S157 - (46)11 - / 4 / 7 4
69jhp_117431 53% 0.596 PF00579 C5_S132 - (24)11 6 / 1 / 6 3
70jhp_079964 46% 0.542 PF00692 C2_S1119 - (92)11 - / - / 34 4
71jhp_014134 65% 0.564 PF00154 C1_S132 - (0)11 - / 15 / 9 5
72jhp_071120 42% 0.533 PF00579 C3_S136 - (27)10 - / 2 / 5 3
73jhp_021529 40% 0.513 PF02348 C1_S148 - (36)10 - / 8 / 7 4
74jhp_055827 47% 0.457 PF03119 C3_S151 - (32)10 - / 5 / 10 5
75jhp_002517 96% 0.545 PF02706 C3_S145 - (36)10 - / 5 / 4 5
76jhp_107525 38% 0.490 PF01746 C4_S127 - (18)10 - / 10 / 11 5
77jhp_142022 41% 0.495 PF01380 C2_S114 - (13)10 - / - / 11 5
78jhp_128924 98% 0.575 PF00132 C2_S159 - (24)10 - / 2 / 11 6
79jhp_028633 38% 0.467 PF00005 C1_S183 - (0)10 - / 2 / 14 5
80jhp_000527 54% 0.677 PF00215 C2_S140 - (28)10 - / 13 / 3 3
81jhp_100550 33% 0.532 PF00762 C6_S1150 - (0)10 18 / 3 / 23 4
82jhp_120126 41% 0.590 PF00591 C2_S131 - (1)9 - / 4 / 8 5
83jhp_096820 38% 0.420 PF02353 C2_S162 - (35)9 - / 16 / 5 0
84jhp_111224 99% 0.528 PF00194 C8_S123 - (2)9 - / - / 6 4
85jhp_117033 94% 0.582 PF08501 C4_S159 - (54)9 2 / 3 / 20 4
86jhp_070040 49% 0.516 PF02978 C8_S156 - (0)9 4 / 14 / 7 4
87jhp_091347 46% 0.642 PF00091 C3_S155 - (0)8 - / 3 / 29 4
88jhp_041255 42% 0.504 PF01180 C4_S1176 - (112)8 49 / 4 / 6 2
89jhp_049640 100% 0.649 PF01177 C4_S148 - (36)8 - / 1 / 37 3
90jhp_018330 62% 0.513 PF00438 C4_S111 - (7)8 - / - / 8 1
91jhp_086330 46% 0.598 PF01227 C13_S126 - (2)8 - / - / 22 3
92jhp_127329 96% 0.558 PF02749 C6_S138 - (21)8 - / - / 14 3
93jhp_008323 98% 0.613 PF00698 C2_S115 - (11)8 - / - / 3 1
94jhp_085546 45% 0.533 PF00044 C4_S153 - (35)8 12 / 16 / 4 2
95jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
96jhp_009517 97% 0.553 PF00015 C2_S112 - (0)8 - / - / 6 3
97jhp_064141 58% 0.474 PF00521 C6_S166 - (0)8 - / 1 / 30 1
98jhp_079030 79% 0.584 PF00478 C1_S155 - (40)7 - / 4 / 8 4
99jhp_124522 63% 0.529 PF00206 C3_S117 - (10)7 - / - / 7 2
100jhp_012222 47% 0.592 PF01474 C4_S112 - (9)7 - / 2 / 5 3

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