Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001584 (Mycobacterium tuberculosis April 2016)

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]
150Rv0445c17 100% 0.674 PF04545 0 - (0)? - / - / - 0
151Rv2610c20 82% 0.674 PF00534 C1_S136 - (17)4 - / 3 / 2 2
152Rv3166c0 40% 0.674 PF01032 3 - (0)? - / - / - 0
153Rv2889c20 45% 0.673 PF00889 2 - (0)? - / - / - 0
154Rv0414c26 100% 0.673 PF02581 C2_S148 - (37)3 - / - / 12 1
155Rv3246c15 100% 0.672 PF00486 C4_S116 - (0)1 - / - / 1 0
156Rv0384c13 63% 0.671 PF10431 C4_S114 - (0)6 1 / 11 / - 3
157Rv041618 39% 0.671 PF02597 0 - (0)? - / - / - 0
158Rv0022c0 37% 0.671 PF14815 5 - (0)? - / - / - 0
159Rv149622 100% 0.670 PF01926 C6_S129 - (0)5 - / 10 / 8 3
160Rv266719 39% 0.669 PF02151 2 - (0)? - / - / - 0
161Rv3291c20 100% 0.668 PF01037 C4_S124 - (0)6 - / - / 4 4
162Rv0019c11 42% 0.668 PF00498 8 - (0)? - / - / - 0
163Rv25452 32% 0.668 PF01402 3 - (0)? - / - / - 0
164Rv18253 100% 0.667 PF00512 7 - (0)? - / - / - 0
165Rv1247c11 44% 0.666 PF02604 C3_S12 - (0)1 - / - / 2 0
166Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
167Rv049114 53% 0.666 PF00486 C4_S116 - (0)1 - / - / 1 0
168Rv308422 34% 0.665 PF07859 C1_S110 - (0)2 - / - / 3 1
169Rv2996c32 100% 0.664 PF02826 C1_S166 - (50)9 - / 18 / - 3
170Rv201020 97% 0.663 PF01850 1 - (0)? - / - / - 0
171Rv12110 50% 0.663 PF00556 5 - (0)? - / - / - 0
172Rv108634 100% 0.662 PF01255 C6_S1111 - (32)14 - / 8 / 12 6
173Rv274914 35% 0.662 PF03992 6 - (0)? - / - / - 0
174Rv3688c4 36% 0.662 PF00101 1 - (0)? - / - / - 0
175Rv1888A10 64% 0.662 PF04072 11 - (3)? - / - / - 0
176Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
177Rv213210 38% 0.662 PF00701 0 - (0)? - / - / - 0
178Rv3583c14 100% 0.661 PF00166 3 - (0)? - / - / - 0
179Rv012312 68% 0.661 PF01402 7 - (0)? - / - / - 0
180Rv065114 45% 0.661 PF00466 6 - (0)? - / - / - 0
181Rv387515 100% 0.661 PF06013 4 - (0)? - / - / - 0
182Rv071820 58% 0.661 PF00410 0 - (0)? - / - / - 0
183Rv141620 100% 0.660 PF00885 0 - (0)? - / - / - 0
184Rv10830 37% 0.660 PF02416 2 - (0)? - / - / - 0
185Rv137926 100% 0.659 PF00156 C3_S179 - (33)8 - / 3 / 14 3
186Rv070912 58% 0.659 PF00831 3 - (0)? - / - / - 0
187Rv3917c16 48% 0.658 PF02195 16 - (0)? - / - / - 0
188Rv184820 100% 0.658 PF00547 0 - (0)? - / - / - 0
189Rv0644c22 100% 0.658 PF02353 C1_S148 - (24)10 3 / 17 / 4 4
190Rv0121c12 59% 0.658 PF01243 23 - (0)0 - / - / - 0
191Rv0208c18 43% 0.658 PF02390 C1_S121 - (12)1 - / 2 / 1 0
192Rv166520 100% 0.657 PF00195 23 - (8)? - / - / - 0
193Rv2966c19 100% 0.656 PF00145 54 - (36)? - / - / - 0
194Rv136816 99% 0.656 PF07161 C5_S116 - (0)1 2 / - / - 1
195Rv3378c20 100% 0.656 PF01255 C5_S128 - (0)7 - / 2 / 4 4
196Rv0763c6 35% 0.655 PF13237 114 - (0)? - / - / - 0
197Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
198Rv310620 100% 0.654 PF07992 C4_S146 - (35)2 9 / - / - 1
199Rv1474c20 54% 0.654 PF00440 C1_S120 - (0)1 - / - / 2 1
200Rv0153c19 100% 0.654 PF00782 2 - (0)? - / - / - 0

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