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_078122 40% 0.660 PF02581 C3_S151 - (40)14 - / 8 / 13 4
51jhp_116225 52% 0.396 PF07973 C3_S138 - (21)13 1 / 4 / 7 6
52jhp_107945 48% 0.578 PF02978 C5_S160 - (0)13 3 / 13 / 13 4
53jhp_041055 55% 0.546 PF00701 C5_S1105 - (102)13 - / - / 16 3
54jhp_017025 50% 0.483 PF01336 C7_S138 - (24)12 - / 7 / 5 6
55jhp_062441 50% 0.547 PF12804 C1_S153 - (35)12 2 / 15 / 9 6
56jhp_139025 48% 0.478 PF01195 C2_S122 - (0)12 - / 1 / 8 4
57jhp_132745 44% 0.465 PF00551 C5_S179 - (15)12 - / 23 / 4 8
58jhp_050633 63% 0.863 PF00550 C5_S125 - (0)12 - / - / 10 4
59jhp_023247 44% 0.729 PF00271 C3_S161 - (0)12 1 / 13 / 23 6
60jhp_068545 39% 0.539 PF08402 C1_S141 - (0)12 - / 10 / 19 7
61jhp_119620 40% 0.523 PF00408 C2_S117 - (15)12 - / 3 / 8 7
62jhp_097831 53% 0.295 PF01409 C3_S118 - (13)11 3 / 6 / 6 9
63jhp_014254 63% 0.611 PF03952 C1_S138 - (30)11 - / 3 / 26 6
64jhp_052122 45% 0.547 PF02502 C7_S124 - (0)11 - / - / 5 4
65jhp_128121 32% 0.523 PF03853 C4_S157 - (46)11 - / 4 / 7 4
66jhp_120023 50% 0.503 PF00218 C6_S119 - (5)11 - / 5 / 4 5
67jhp_009831 95% 0.553 PF01053 C1_S119 - (13)11 - / - / 9 4
68jhp_014134 65% 0.564 PF00154 C1_S132 - (0)11 - / 15 / 9 5
69jhp_079964 46% 0.542 PF00692 C2_S1119 - (92)11 - / - / 34 4
70jhp_117431 53% 0.596 PF00579 C5_S132 - (24)11 6 / 1 / 6 3
71jhp_050832 98% 0.585 PF00106 C1_S152 - (35)11 5 / 6 / - 3
72jhp_028633 38% 0.467 PF00005 C1_S183 - (0)10 - / 2 / 14 5
73jhp_021529 40% 0.513 PF02348 C1_S148 - (36)10 - / 8 / 7 4
74jhp_100550 33% 0.532 PF00762 C6_S1150 - (0)10 18 / 3 / 23 4
75jhp_142022 41% 0.495 PF01380 C2_S114 - (13)10 - / - / 11 5
76jhp_000527 54% 0.677 PF00215 C2_S140 - (28)10 - / 13 / 3 3
77jhp_002517 96% 0.545 PF02706 C3_S145 - (36)10 - / 5 / 4 5
78jhp_071120 42% 0.533 PF00579 C3_S136 - (27)10 - / 2 / 5 3
79jhp_128924 98% 0.575 PF00132 C2_S159 - (24)10 - / 2 / 11 6
80jhp_055827 47% 0.457 PF03119 C3_S151 - (32)10 - / 5 / 10 5
81jhp_107525 38% 0.490 PF01746 C4_S127 - (18)10 - / 10 / 11 5
82jhp_117033 94% 0.582 PF08501 C4_S159 - (54)9 2 / 3 / 20 4
83jhp_070040 49% 0.516 PF02978 C8_S156 - (0)9 4 / 14 / 7 4
84jhp_120126 41% 0.590 PF00591 C2_S131 - (1)9 - / 4 / 8 5
85jhp_111224 99% 0.528 PF00194 C8_S123 - (2)9 - / - / 6 4
86jhp_096820 38% 0.420 PF02353 C2_S162 - (35)9 - / 16 / 5 0
87jhp_041255 42% 0.504 PF01180 C4_S1176 - (112)8 49 / 4 / 6 2
88jhp_018330 62% 0.513 PF00438 C4_S111 - (7)8 - / - / 8 1
89jhp_008323 98% 0.613 PF00698 C2_S115 - (11)8 - / - / 3 1
90jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
91jhp_127329 96% 0.558 PF02749 C6_S138 - (21)8 - / - / 14 3
92jhp_009517 97% 0.553 PF00015 C2_S112 - (0)8 - / - / 6 3
93jhp_064141 58% 0.474 PF00521 C6_S166 - (0)8 - / 1 / 30 1
94jhp_049640 100% 0.649 PF01177 C4_S148 - (36)8 - / 1 / 37 3
95jhp_085546 45% 0.533 PF00044 C4_S153 - (35)8 12 / 16 / 4 2
96jhp_086330 46% 0.598 PF01227 C13_S126 - (2)8 - / - / 22 3
97jhp_091347 46% 0.642 PF00091 C3_S155 - (0)8 - / 3 / 29 4
98jhp_077820 97% 0.463 PF02719 C1_S167 - (61)7 14 / 1 / 2 2
99jhp_124522 63% 0.529 PF00206 C3_S117 - (10)7 - / - / 7 2
100jhp_120320 46% 0.451 PF00425 C1_S113 - (0)7 - / - / 4 1

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