Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 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]
250B0VR8720 65% 0.58 PF00155 C1_S133 - (28)5 - / 1 / 3 1
251B0VQT216 65% 0.64 PF00410 2 - (0)? - / - / - 0
252B0VMN817 65% 0.64 PF00069 C1_S133 - (24)2 - / 3 / - 0
253B0VKA22 65% 0.50 PF02295 5 - (0)? - / - / - 0
254B0VRW814 65% 0.35 PF07411 0 - (0)? - / - / - 0
255B0VV7026 65% 0.55 PF00437 C4_S117 - (16)6 - / 3 / 7 4
256B0VQD519 65% 0.56 PF03070 C2_S136 - (10)5 - / 8 / 5 2
257B0VTM930 65% 0.64 PF03740 C6_S127 - (26)6 - / - / 12 3
258B0VU477 65% 0.23 PF02038 1 - (0)? - / - / - 0
259B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
260B0VKR415 65% 0.62 PF07670 C6_S136 - (0)3 1 / 6 / - 1
261B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
262B0VUT011 65% 0.57 PF03951 C2_S129 - (29)1 - / - / 1 1
263B0VMM819 65% 0.58 PF00296 18 - (10)? - / - / - 0
264B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
265B0VKP618 65% 0.59 PF01842 7 - (0)4 - / - / - 0
266B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
267B0VN7413 65% 0.64 PF00436 C2_S111 - (0)1 - / - / 1 0
268B0VRA72 65% 0.58 PF02699 0 - (0)? - / - / - 0
269B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
270B0VV5120 65% 0.57 PF01039 4 - (0)? - / - / - 0
271B0VKN824 65% 0.56 PF03144 C2_S118 - (0)3 - / 8 / 2 2
272B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
273B0VUE722 64% 0.57 PF00903 C2_S136 - (0)10 - / - / 9 0
274B0VR5811 64% 0.62 PF01709 2 - (0)? - / - / - 0
275B0VP5630 64% 0.47 PF06628 C8_S117 - (4)4 10 / - / 2 1
276B0VLZ920 64% 0.42 PF00687 7 - (0)? - / - / - 0
277B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
278B0VUT736 64% 0.70 PF00081 19 - (0)2 - / - / - 0
279B0VTL318 64% 0.56 PF00566 13 - (0)? - / - / - 0
280B0VT770 64% 0.56 PF01396 5 - (0)? - / - / - 0
281B0VU0120 64% 0.68 PF00210 33 - (0)1 - / - / - 0
282B0VMB816 64% 0.59 PF03900 C3_S115 - (0)4 4 / 1 / 1 2
283B0VSA220 64% 0.55 PF02190 C3_S16 - (0)? - / - / 1 0
284B0VTY19 64% 0.46 PF01476 C2_S116 - (0)2 - / - / 1 0
285B0VM0818 64% 0.58 PF01281 0 - (0)? - / - / - 0
286B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
287B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
288B0VLC218 64% 0.56 PF00575 C2_S111 - (0)2 2 / 1 / 6 1
289B0VPF818 64% 0.54 -17 - (0)? - / - / - 0
290B0VPN513 64% 0.60 PF00106 C1_S1103 - (74)6 4 / - / 1 1
291B0VLK623 64% 0.54 PF02844 C1_S135 - (25)6 - / 2 / 11 4
292B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
293B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
294B0VS2219 64% 0.53 PF01507 6 - (4)? - / - / - 0
295B0VTM616 64% 0.60 PF01926 C2_S131 - (0)4 7 / 2 / - 2
296B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
297B0VL2320 63% 0.53 PF00962 C1_S134 - (10)6 - / - / 8 3
298B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
299B0VKC015 63% 0.55 PF00156 C6_S17 - (1)3 - / 1 / 6 2
300B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7

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