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_050832 98% 0.585 PF00106 C1_S152 - (35)11 5 / 6 / - 3
101jhp_012222 47% 0.592 PF01474 C4_S112 - (9)7 - / 2 / 5 3
102jhp_032320 49% 0.541 PF00117 C2_S113 - (9)6 - / - / 5 3
103jhp_059323 47% 0.533 PF00275 C6_S120 - (13)6 - / 4 / 4 3
104jhp_089519 39% 0.533 PF01210 C1_S123 - (15)5 4 / 1 / 1 3
105jhp_037718 63% 0.470 PF04760 C1_S139 - (0)3 - / 3 / 1 3
106jhp_046024 40% 0.553 PF01113 C3_S149 - (33)8 6 / 1 / 2 3
107jhp_009517 97% 0.553 PF00015 C2_S112 - (0)8 - / - / 6 3
108jhp_038920 35% 0.541 PF02978 C6_S153 - (0)6 1 / 4 / 1 3
109jhp_028728 37% 0.589 PF08402 C1_S142 - (0)5 - / 1 / 7 3
110jhp_018837 47% 0.544 PF08541 C2_S153 - (32)17 1 / 10 / 9 3
111jhp_071120 42% 0.533 PF00579 C3_S136 - (27)10 - / 2 / 5 3
112jhp_062125 39% 0.412 PF00317 C6_S130 - (30)5 - / 2 / 8 3
113jhp_086330 46% 0.598 PF01227 C13_S126 - (2)8 - / - / 22 3
114jhp_000527 54% 0.677 PF00215 C2_S140 - (28)10 - / 13 / 3 3
115jhp_108621 94% 0.566 PF02661 C8_S124 - (0)6 5 / 2 / 3 3
116jhp_071424 99% 0.626 PF00696 C1_S126 - (17)7 - / 3 / 4 3
117jhp_017813 70% 0.503 PF02910 C3_S151 - (45)3 - / - / 3 3
118jhp_117431 53% 0.596 PF00579 C5_S132 - (24)11 6 / 1 / 6 3
119jhp_149120 34% 0.476 PF00814 C4_S122 - (22)6 - / 6 / 1 3
120jhp_127329 96% 0.558 PF02749 C6_S138 - (21)8 - / - / 14 3
121jhp_035324 39% 0.337 PF00702 C3_S117 - (0)6 - / 6 / 2 3
122jhp_040440 46% 0.463 PF02542 C6_S176 - (50)17 - / - / 20 2
123jhp_132319 41% 0.572 PF07521 C1_S118 - (0)3 4 / - / 2 2
124jhp_061533 45% 0.586 PF00155 C1_S144 - (37)7 - / 1 / 24 2
125jhp_042825 41% 0.603 PF00749 C5_S122 - (18)3 - / 2 / 6 2
126jhp_077820 97% 0.463 PF02719 C1_S167 - (61)7 14 / 1 / 2 2
127jhp_041255 42% 0.504 PF01180 C4_S1176 - (112)8 49 / 4 / 6 2
128jhp_101521 91% 0.583 PF01041 C1_S150 - (29)6 - / - / 7 2
129jhp_003720 95% 0.647 PF00483 C2_S153 - (39)6 - / 4 / 1 2
130jhp_059611 88% 0.524 PF00534 C4_S116 - (13)4 - / 6 / 2 2
131jhp_109825 52% 0.579 PF08402 C1_S121 - (0)4 - / 3 / 2 2
132jhp_135820 40% 0.519 PF00005 C1_S138 - (0)4 - / 7 / 1 2
133jhp_079121 59% 0.649 PF13580 C3_S113 - (9)3 - / - / 8 2
134jhp_003820 59% 0.479 PF01370 C1_S155 - (51)4 3 / 2 / - 2
135jhp_142821 54% 0.445 PF05222 C2_S169 - (68)7 4 / 4 / 3 2
136jhp_072714 38% 0.366 PF08282 C3_S123 - (0)4 - / 6 / 1 2
137jhp_030425 45% 0.578 PF00625 C4_S145 - (32)6 - / 5 / 2 2
138jhp_002918 58% 0.500 PF10431 C4_S122 - (21)4 - / 8 / 1 2
139jhp_134512 44% 0.482 PF10396 C4_S16 - (0)4 - / 5 / 1 2
140jhp_055122 46% 0.601 PF01208 C5_S113 - (10)5 8 / - / - 2
141jhp_133445 48% 0.586 PF00160 C4_S1149 - (2)5 - / 18 / 4 2
142jhp_128718 51% 0.599 PF00012 C1_S135 - (0)3 - / 3 / - 2
143jhp_146420 36% 0.384 PF00905 C1_S135 - (0)3 - / 1 / 1 2
144jhp_009718 100% 0.603 PF02664 C3_S15 - (3)3 - / - / 3 2
145jhp_094012 100% 0.568 PF00613 C5_S113 - (10)4 - / 5 / 3 2
146jhp_079219 40% 0.507 PF00294 C1_S144 - (25)5 - / 3 / 5 2
147jhp_130814 55% 0.472 PF14489 C2_S124 - (0)4 - / - / 7 2
148jhp_102524 51% 0.659 PF01081 C1_S130 - (26)4 - / - / 5 2
149jhp_090820 44% 0.551 PF01676 C4_S112 - (9)4 - / 5 / 2 2
150jhp_026844 40% 0.570 PF01202 C4_S165 - (62)6 5 / 16 / 14 2

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