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]
100jhp_002337 71% 0.615 PF00180 C7_S157 - (53)16 1 / 14 / 22 5
101jhp_04306 32% 0.396 PF12950 57 - (22)? - / - / - 0
102jhp_092810 37% 0.394 PF12950 56 - (25)? - / - / - 0
103jhp_070040 49% 0.516 PF02978 C8_S156 - (0)9 4 / 14 / 7 4
104jhp_091347 46% 0.642 PF00091 C3_S155 - (0)8 - / 3 / 29 4
105jhp_082320 31% 0.537 PF00106 55 - (43)? - / - / - 0
106jhp_046614 66% 0.363 PF01926 C1_S155 - (0)3 6 / 1 / - 2
107jhp_004837 35% 0.355 PF00171 C3_S155 - (0)16 2 / 7 / 7 3
108jhp_003820 59% 0.479 PF01370 C1_S155 - (51)4 3 / 2 / - 2
109jhp_034158 39% 0.566 PF02729 C9_S155 - (43)19 - / 23 / 11 6
110jhp_079030 79% 0.584 PF00478 C1_S155 - (40)7 - / 4 / 8 4
111jhp_075220 96% 0.571 PF00691 54 - (0)? - / - / - 0
112jhp_031220 95% 0.570 PF02540 C2_S154 - (49)3 - / 4 / 1 2
113jhp_068111 50% 0.597 PF01926 54 - (0)? - / - / - 0
114jhp_084033 50% 0.583 PF00871 C5_S154 - (44)20 2 / 2 / 18 12
115jhp_003720 95% 0.647 PF00483 C2_S153 - (39)6 - / 4 / 1 2
116jhp_085546 45% 0.533 PF00044 C4_S153 - (35)8 12 / 16 / 4 2
117jhp_028320 39% 0.505 PF00496 53 - (0)? - / - / - 0
118jhp_038920 35% 0.541 PF02978 C6_S153 - (0)6 1 / 4 / 1 3
119jhp_13369 39% 0.333 PF00288 53 - (38)? - / - / - 0
120jhp_070518 42% 0.502 PF04055 C4_S153 - (6)? - / - / 2 0
121jhp_018837 47% 0.544 PF08541 C2_S153 - (32)17 1 / 10 / 9 3
122jhp_062441 50% 0.547 PF12804 C1_S153 - (35)12 2 / 15 / 9 6
123jhp_020629 44% 0.528 PF00266 C2_S153 - (40)4 - / - / 17 1
124jhp_131312 32% 0.416 PF02873 C6_S152 - (40)1 - / - / 2 0
125jhp_050832 98% 0.585 PF00106 C1_S152 - (35)11 5 / 6 / - 3
126jhp_078122 40% 0.660 PF02581 C3_S151 - (40)14 - / 8 / 13 4
127jhp_076920 53% 0.451 PF01425 C6_S151 - (0)3 - / - / 3 2
128jhp_109917 58% 0.605 PF00072 C1_S151 - (0)2 - / - / 7 1
129jhp_017813 70% 0.503 PF02910 C3_S151 - (45)3 - / - / 3 3
130jhp_055827 47% 0.457 PF03119 C3_S151 - (32)10 - / 5 / 10 5
131jhp_052427 53% 0.571 PF02882 C7_S151 - (38)14 - / 9 / 10 4
132jhp_102325 50% 0.450 PF00106 C1_S150 - (38)4 9 / - / - 2
133jhp_008820 35% 0.609 PF02826 50 - (35)1 - / - / - 0
134jhp_131613 43% 0.491 PF14396 50 - (0)? - / - / - 0
135jhp_101521 91% 0.583 PF01041 C1_S150 - (29)6 - / - / 7 2
136jhp_062020 44% 0.568 PF01408 49 - (36)? - / - / - 0
137jhp_01614 46% 0.487 PF00397 49 - (0)1 - / - / - 0
138jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
139jhp_111820 71% 0.546 PF03143 C1_S148 - (0)3 - / 8 / 1 2
140jhp_147520 50% 0.384 PF01926 48 - (0)? - / - / - 0
141jhp_078316 38% 0.489 PF02110 C2_S148 - (41)4 - / - / 2 0
142jhp_021529 40% 0.513 PF02348 C1_S148 - (36)10 - / 8 / 7 4
143jhp_101216 32% 0.455 PF12950 48 - (27)? - / - / - 0
144jhp_049640 100% 0.649 PF01177 C4_S148 - (36)8 - / 1 / 37 3
145jhp_066420 38% 0.489 PF01207 C2_S148 - (34)1 - / 2 / - 1
146jhp_04547 28% 0.420 PF12950 47 - (20)? - / - / - 0
147jhp_097616 36% 0.479 PF00266 C1_S147 - (39)3 - / - / 3 0
148jhp_07745 46% 0.541 PF00216 47 - (0)? - / - / - 0
149jhp_14094 34% 0.255 PF07952 46 - (12)? - / - / - 0
150jhp_135425 49% 0.471 PF00034 C5_S146 - (35)6 15 / - / - 2

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