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]
250B0VNG223 59% 0.56 PF13193 C2_S171 - (30)10 - / 5 / 5 0
251B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
252B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
253B0VKI722 50% 0.55 PF00557 C1_S119 - (0)13 - / - / 7 0
254B0VUG222 100% 0.60 PF00486 C2_S117 - (0)2 - / - / 2 0
255B0VV8422 52% ? PF01588 C1_S14 - (3)4 - / 1 / 2 2
256B0VKP922 59% 0.55 PF13603 C1_S116 - (0)4 - / 4 / 1 1
257B0VT3822 58% 0.49 PF00766 C3_S127 - (27)2 9 / - / - 1
258B0VRI722 52% 0.55 PF00108 C6_S112 - (3)5 - / - / 1 0
259B0VR2822 70% 0.61 PF00456 C1_S19 - (0)2 - / - / 2 1
260B0VRK722 43% 0.53 PF02873 C5_S153 - (38)9 7 / 5 / 1 1
261B0VLG622 88% 0.45 PF10431 C2_S120 - (0)6 1 / 12 / - 3
262B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
263B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
264B0VVA322 34% 0.64 PF00202 C2_S158 - (36)6 - / 1 / 4 0
265B0VKK422 54% 0.59 PF02548 7 - (4)2 - / - / - 0
266B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
267B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
268B0VTG322 72% 0.50 PF03144 C1_S152 - (0)6 - / 9 / 5 2
269B0VLS422 42% 0.56 PF00485 C5_S132 - (23)4 - / - / 2 0
270B0VT3022 98% 0.55 PF01678 C4_S111 - (4)6 - / - / 6 4
271B0VPY722 55% 0.52 PF14815 C4_S157 - (0)6 3 / - / 2 0
272B0VML622 54% 0.51 PF03702 C2_S144 - (25)5 - / 2 / 4 1
273B0VQW322 62% 0.60 PF03358 C1_S161 - (45)9 - / 2 / 3 1
274B0VPC222 54% 0.42 PF00475 C2_S114 - (0)12 - / - / 12 1
275B0VVG922 51% 0.49 PF06628 C8_S16 - (1)2 2 / - / - 1
276B0VUQ122 68% 0.75 PF00834 C4_S121 - (9)5 - / - / 4 2
277B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
278B0VRE722 54% 0.48 PF01923 C7_S144 - (21)4 - / - / 3 1
279B0VQL522 34% 0.52 PF00294 C1_S155 - (0)2 - / 1 / 20 1
280B0VMM222 32% 0.47 PF01687 C3_S130 - (12)4 - / - / 9 1
281B0VMH122 48% 0.40 PF00909 C2_S117 - (0)5 - / - / 3 1
282B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
283B0VKR722 99% 0.55 PF03129 C2_S121 - (8)6 - / 4 / 2 3
284B0VQD822 43% 0.56 PF01244 C2_S113 - (0)5 - / - / 4 1
285B0VMZ922 48% 0.65 PF14437 C5_S141 - (8)4 - / - / 3 0
286B0VL2822 49% 0.55 PF13840 C2_S122 - (5)5 - / 2 / 5 2
287B0VUE222 46% 0.50 PF01975 C5_S136 - (27)10 - / - / 6 2
288B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
289B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
290B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
291B0VML722 46% 0.55 PF00579 C2_S137 - (32)10 - / 3 / 7 0
292B0VPK322 50% 0.83 PF01230 C2_S1131 - (0)9 - / - / 6 3
293B0VUE722 64% 0.57 PF00903 C2_S136 - (0)10 - / - / 9 0
294B0VQR721 84% 0.72 PF00338 5 - (0)1 - / - / - 0
295B0VUC521 45% 0.59 PF01596 C2_S140 - (28)4 - / - / 4 0
296B0VQE621 70% 0.57 PF03466 C1_S114 - (0)5 - / - / 8 2
297B0VRH621 67% 0.48 PF00108 C4_S121 - (8)8 - / - / 4 0
298B0VMG021 99% 0.58 PF01676 C3_S120 - (14)4 - / 5 / 9 2
299B0VV8321 68% 0.64 PF00216 C2_S150 - (0)2 4 / 6 / 1 0
300B0VSC121 67% 0.55 PF00699 4 - (0)2 - / - / - 0

<< Page / 56 >> - Show