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]
200B0VU2920 99% 0.57 PF01588 C1_S125 - (8)6 - / - / 5 2
201B0VM6420 52% 0.61 PF01715 C4_S127 - (7)9 - / - / 7 2
202B0VRB19 47% 0.57 PF02547 C5_S17 - (0)3 - / - / 7 2
203B0VS7120 54% 0.58 PF01406 C2_S130 - (15)6 - / 1 / 4 2
204B0VSH923 55% 0.50 PF00587 C2_S139 - (38)9 - / 6 / 6 2
205B0VNF623 40% 0.54 PF01168 C3_S133 - (21)14 - / 4 / 14 2
206B0VMM06 50% 0.29 PF01252 C3_S150 - (0)5 - / - / 5 2
207B0VNZ820 68% 0.61 PF08245 C1_S152 - (27)7 4 / 6 / - 2
208B0VNB821 67% 0.57 PF13193 C6_S158 - (28)10 - / 9 / 6 2
209B0VTX021 69% 0.60 PF13793 C9_S127 - (27)8 - / 1 / 13 2
210B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
211B0VS1521 60% 0.63 PF00012 C1_S130 - (0)4 - / 9 / - 2
212B0VMR418 36% 0.51 PF02348 C1_S140 - (31)3 - / - / 4 2
213B0VV2124 36% 0.60 PF00155 C1_S126 - (19)8 - / 1 / 10 2
214B0VUW820 38% 0.53 PF13406 C4_S143 - (0)12 - / - / 7 2
215B0VTG322 72% 0.50 PF03144 C1_S152 - (0)6 - / 9 / 5 2
216B0VUU233 42% 0.55 PF00196 C2_S147 - (0)5 3 / 8 / 12 2
217B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
218B0VUA927 40% 0.51 PF02776 C7_S139 - (19)5 - / 8 / 1 2
219B0VPJ623 45% 0.51 PF08402 C3_S115 - (0)6 - / 8 / 1 2
220B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
221B0VTF717 41% 0.53 PF03588 C8_S123 - (0)10 - / 2 / 8 2
222B0VL2822 49% 0.55 PF13840 C2_S122 - (5)5 - / 2 / 5 2
223B0VV8422 52% ? PF01588 C1_S14 - (3)4 - / 1 / 2 2
224B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
225B0VQE621 70% 0.57 PF03466 C1_S114 - (0)5 - / - / 8 2
226B0VLJ224 82% 0.57 PF03466 C2_S115 - (0)5 - / - / 9 2
227B0VLB718 42% 0.58 PF02896 C1_S15 - (1)4 - / - / 5 2
228B0VTL415 37% 0.48 PF01063 C4_S149 - (41)5 - / - / 8 2
229B0VTM227 72% 0.52 PF03144 C1_S129 - (0)7 - / 1 / 9 2
230B0VUE222 46% 0.50 PF01975 C5_S136 - (27)10 - / - / 6 2
231B0VM8120 56% 0.57 PF00465 C4_S138 - (33)5 - / 6 / - 2
232B0VTM616 64% 0.60 PF01926 C2_S131 - (0)4 7 / 2 / - 2
233B0VNZ920 49% 0.56 PF03033 C4_S126 - (16)5 - / 3 / 2 2
234B0VKN220 49% 0.60 PF00899 C1_S123 - (0)4 - / 12 / - 2
235B0VMB816 64% 0.59 PF03900 C3_S115 - (0)4 4 / 1 / 1 2
236B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
237B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
238B0VP3912 38% 0.45 PF04262 C4_S122 - (13)3 - / - / 7 2
239B0VPI827 55% 0.58 PF00793 C4_S118 - (18)6 - / - / 7 2
240B0VUQ122 68% 0.75 PF00834 C4_S121 - (9)5 - / - / 4 2
241B0VPG920 93% 0.48 PF00905 C2_S141 - (0)3 - / - / 3 2
242B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
243B0VND527 75% 0.55 PF00285 C7_S117 - (13)6 - / 1 / 9 2
244B0VLJ421 57% 0.43 PF00403 C1_S113 - (0)5 - / 4 / 2 2
245B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2
246B0VT2927 63% 0.53 PF00278 C1_S131 - (27)9 - / 2 / 8 2
247B0VQB78 57% 0.58 PF00925 C4_S120 - (9)4 - / 2 / 5 2
248B0VRD623 33% 0.53 PF02771 C3_S139 - (32)5 2 / 5 / 1 2
249B0VUX115 47% 0.35 PF14489 C8_S130 - (2)8 - / - / 9 2
250B0VMG021 99% 0.58 PF01676 C3_S120 - (14)4 - / 5 / 9 2

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