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_055827 47% 0.457 PF03119 C3_S151 - (32)10 - / 5 / 10 5
51jhp_029133 49% 0.543 PF00202 C1_S175 - (29)14 - / - / 33 5
52jhp_017172 68% 0.526 PF00464 C1_S197 - (45)15 - / 2 / 49 5
53jhp_002337 71% 0.615 PF00180 C7_S157 - (53)16 1 / 14 / 22 5
54jhp_120023 50% 0.503 PF00218 C6_S119 - (5)11 - / 5 / 4 5
55jhp_028633 38% 0.467 PF00005 C1_S183 - (0)10 - / 2 / 14 5
56jhp_014134 65% 0.564 PF00154 C1_S132 - (0)11 - / 15 / 9 5
57jhp_120126 41% 0.590 PF00591 C2_S131 - (1)9 - / 4 / 8 5
58jhp_142022 41% 0.495 PF01380 C2_S114 - (13)10 - / - / 11 5
59jhp_137326 49% 0.442 PF00587 C1_S126 - (24)6 - / 9 / 7 4
60jhp_078122 40% 0.660 PF02581 C3_S151 - (40)14 - / 8 / 13 4
61jhp_056125 39% 0.589 PF05191 C1_S183 - (68)7 3 / 2 / 5 4
62jhp_052427 53% 0.571 PF02882 C7_S151 - (38)14 - / 9 / 10 4
63jhp_107945 48% 0.578 PF02978 C5_S160 - (0)13 3 / 13 / 13 4
64jhp_034332 39% 0.441 PF00005 C3_S176 - (76)7 - / 9 / 6 4
65jhp_111224 99% 0.528 PF00194 C8_S123 - (2)9 - / - / 6 4
66jhp_021529 40% 0.513 PF02348 C1_S148 - (36)10 - / 8 / 7 4
67jhp_079964 46% 0.542 PF00692 C2_S1119 - (92)11 - / - / 34 4
68jhp_070040 49% 0.516 PF02978 C8_S156 - (0)9 4 / 14 / 7 4
69jhp_050633 63% 0.863 PF00550 C5_S125 - (0)12 - / - / 10 4
70jhp_098917 55% 0.452 PF07194 C3_S118 - (18)7 - / - / 13 4
71jhp_079030 79% 0.584 PF00478 C1_S155 - (40)7 - / 4 / 8 4
72jhp_128121 32% 0.523 PF03853 C4_S157 - (46)11 - / 4 / 7 4
73jhp_091347 46% 0.642 PF00091 C3_S155 - (0)8 - / 3 / 29 4
74jhp_098026 40% 0.513 PF00275 C8_S136 - (21)7 2 / 2 / 6 4
75jhp_016225 99% 0.662 PF01116 C5_S120 - (16)6 - / - / 15 4
76jhp_009831 95% 0.553 PF01053 C1_S119 - (13)11 - / - / 9 4
77jhp_100550 33% 0.532 PF00762 C6_S1150 - (0)10 18 / 3 / 23 4
78jhp_066138 99% 0.606 PF00710 C10_S129 - (29)14 - / - / 20 4
79jhp_139025 48% 0.478 PF01195 C2_S122 - (0)12 - / 1 / 8 4
80jhp_054729 34% 0.317 PF00005 C2_S127 - (26)6 - / 11 / 2 4
81jhp_117033 94% 0.582 PF08501 C4_S159 - (54)9 2 / 3 / 20 4
82jhp_052122 45% 0.547 PF02502 C7_S124 - (0)11 - / - / 5 4
83jhp_148926 45% 0.573 PF03740 C10_S119 - (18)6 - / - / 10 3
84jhp_112939 44% 0.367 PF00005 C1_S168 - (67)5 - / 19 / - 3
85jhp_000228 50% 0.565 PF00885 C6_S163 - (41)2 - / 1 / 10 3
86jhp_089519 39% 0.533 PF01210 C1_S123 - (15)5 4 / 1 / 1 3
87jhp_071120 42% 0.533 PF00579 C3_S136 - (27)10 - / 2 / 5 3
88jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
89jhp_127329 96% 0.558 PF02749 C6_S138 - (21)8 - / - / 14 3
90jhp_002231 46% 0.548 PF00285 C9_S115 - (11)7 - / 4 / 8 3
91jhp_049640 100% 0.649 PF01177 C4_S148 - (36)8 - / 1 / 37 3
92jhp_038920 35% 0.541 PF02978 C6_S153 - (0)6 1 / 4 / 1 3
93jhp_004837 35% 0.355 PF00171 C3_S155 - (0)16 2 / 7 / 7 3
94jhp_023522 37% 0.498 PF00005 C3_S138 - (0)5 - / - / 5 3
95jhp_000527 54% 0.677 PF00215 C2_S140 - (28)10 - / 13 / 3 3
96jhp_149120 34% 0.476 PF00814 C4_S122 - (22)6 - / 6 / 1 3
97jhp_028728 37% 0.589 PF08402 C1_S142 - (0)5 - / 1 / 7 3
98jhp_041055 55% 0.546 PF00701 C5_S1105 - (102)13 - / - / 16 3
99jhp_031318 49% 0.506 PF07991 C6_S128 - (19)7 - / 4 / 3 3
100jhp_024913 57% 0.604 PF10431 C4_S113 - (0)6 - / 11 / - 3

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