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_070040 49% 0.516 PF02978 C8_S156 - (0)9 4 / 14 / 7 4
51jhp_040440 46% 0.463 PF02542 C6_S176 - (50)17 - / - / 20 2
52jhp_049640 100% 0.649 PF01177 C4_S148 - (36)8 - / 1 / 37 3
53jhp_086439 92% 0.562 PF00348 C1_S171 - (53)16 - / 2 / 24 6
54jhp_112939 44% 0.367 PF00005 C1_S168 - (67)5 - / 19 / - 3
55jhp_129038 99% 0.524 PF07977 C4_S126 - (1)19 - / - / 18 2
56jhp_066138 99% 0.606 PF00710 C10_S129 - (29)14 - / - / 20 4
57jhp_018837 47% 0.544 PF08541 C2_S153 - (32)17 1 / 10 / 9 3
58jhp_097737 100% 0.761 PF01230 C4_S174 - (0)16 - / 15 / 13 9
59jhp_004837 35% 0.355 PF00171 C3_S155 - (0)16 2 / 7 / 7 3
60jhp_002337 71% 0.615 PF00180 C7_S157 - (53)16 1 / 14 / 22 5
61jhp_008136 61% 0.576 PF04545 C5_S129 - (0)2 17 / - / - 0
62jhp_050536 50% 0.469 PF02801 C4_S132 - (9)19 - / 7 / 14 9
63jhp_074036 55% 0.391 PF00926 C9_S124 - (0)7 - / - / 19 3
64jhp_111434 48% 0.421 PF02774 C2_S164 - (35)20 11 / 12 / 15 8
65jhp_015034 51% 0.587 PF00490 C6_S130 - (18)14 - / - / 14 2
66jhp_014134 65% 0.564 PF00154 C1_S132 - (0)11 - / 15 / 9 5
67jhp_091033 35% 0.520 PF00202 C1_S159 - (37)14 - / 3 / 22 7
68jhp_117033 94% 0.582 PF08501 C4_S159 - (54)9 2 / 3 / 20 4
69jhp_050633 63% 0.863 PF00550 C5_S125 - (0)12 - / - / 10 4
70jhp_029133 49% 0.543 PF00202 C1_S175 - (29)14 - / - / 33 5
71jhp_084033 50% 0.583 PF00871 C5_S154 - (44)20 2 / 2 / 18 12
72jhp_035633 98% 0.594 PF09336 C1_S126 - (25)3 - / 10 / 5 2
73jhp_061533 45% 0.586 PF00155 C1_S144 - (37)7 - / 1 / 24 2
74jhp_028633 38% 0.467 PF00005 C1_S183 - (0)10 - / 2 / 14 5
75jhp_050832 98% 0.585 PF00106 C1_S152 - (35)11 5 / 6 / - 3
76jhp_034332 39% 0.441 PF00005 C3_S176 - (76)7 - / 9 / 6 4
77jhp_002231 46% 0.548 PF00285 C9_S115 - (11)7 - / 4 / 8 3
78jhp_097831 53% 0.295 PF01409 C3_S118 - (13)11 3 / 6 / 6 9
79jhp_059431 56% 0.531 PF00206 C4_S117 - (10)5 - / - / 8 2
80jhp_009831 95% 0.553 PF01053 C1_S119 - (13)11 - / - / 9 4
81jhp_117431 53% 0.596 PF00579 C5_S132 - (24)11 6 / 1 / 6 3
82jhp_011331 43% 0.512 PF07973 C1_S126 - (10)14 4 / 13 / 3 8
83jhp_018330 62% 0.513 PF00438 C4_S111 - (7)8 - / - / 8 1
84jhp_079030 79% 0.584 PF00478 C1_S155 - (40)7 - / 4 / 8 4
85jhp_086330 46% 0.598 PF01227 C13_S126 - (2)8 - / - / 22 3
86jhp_020629 44% 0.528 PF00266 C2_S153 - (40)4 - / - / 17 1
87jhp_021529 40% 0.513 PF02348 C1_S148 - (36)10 - / 8 / 7 4
88jhp_054729 34% 0.317 PF00005 C2_S127 - (26)6 - / 11 / 2 4
89jhp_038629 100% 0.570 PF01220 C6_S130 - (3)17 3 / 15 / 4 8
90jhp_127329 96% 0.558 PF02749 C6_S138 - (21)8 - / - / 14 3
91jhp_087928 55% 0.478 PF01042 C7_S123 - (0)5 - / - / 7 0
92jhp_028728 37% 0.589 PF08402 C1_S142 - (0)5 - / 1 / 7 3
93jhp_080928 97% 0.487 PF06628 C6_S123 - (4)2 14 / - / - 1
94jhp_027128 52% 0.560 PF09336 C3_S123 - (23)3 - / 5 / 3 2
95jhp_000228 50% 0.565 PF00885 C6_S163 - (41)2 - / 1 / 10 3
96jhp_055827 47% 0.457 PF03119 C3_S151 - (32)10 - / 5 / 10 5
97jhp_052427 53% 0.571 PF02882 C7_S151 - (38)14 - / 9 / 10 4
98jhp_000527 54% 0.677 PF00215 C2_S140 - (28)10 - / 13 / 3 3
99jhp_110527 45% 0.570 PF01676 C6_S115 - (2)6 - / - / 7 3
100jhp_098026 40% 0.513 PF00275 C8_S136 - (21)7 2 / 2 / 6 4

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