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]
350B0VNW634 70% 0.57 PF00216 C6_S160 - (0)3 4 / 1 / 9 1
351B0VSZ10 46% 0.41 PF00216 2 - (0)? - / - / - 0
352B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
353B0VS960 43% 0.93 PF00221 1 - (0)? - / - / - 0
354B0VPV120 79% 0.87 PF00221 C5_S18 - (0)4 - / - / 3 0
355B0VUH21 42% 0.12 PF00223 4 - (0)? - / - / - 0
356B0VVB33 26% 0.27 PF00227 0 - (0)? - / - / - 0
357B0VMJ816 70% 0.39 PF00230 C7_S157 - (0)3 - / - / 1 0
358B0VNK318 60% 0.64 PF00231 2 - (0)? - / - / - 0
359B0VUE10 52% 0.34 PF00232 6 - (0)? - / - / - 0
360B0VQE50 21% 0.01 PF00232 6 - (0)? - / - / - 0
361B0VQ060 18% 0.16 PF00233 1 - (0)? - / - / - 0
362B0VSB80 23% 0.13 PF00233 1 - (0)? - / - / - 0
363B0VKD80 18% 0.12 PF00233 1 - (0)? - / - / - 0
364B0VSZ60 36% 0.40 PF00233 50 - (7)? - / - / - 0
365B0VKA318 18% 0.46 PF00233 13 - (0)1 - / - / - 0
366B0VQS316 74% 0.58 PF00237 1 - (0)? - / - / - 0
367B0VQS816 82% 0.57 PF00238 0 - (0)? - / - / - 0
368B0VS557 36% 0.64 PF00239 5 - (0)? - / - / - 0
369B0VP638 37% 0.58 PF00239 3 - (0)? - / - / - 0
370B0VMX26 56% 0.56 PF00240 0 - (0)? - / - / - 0
371B0VLY61 27% 0.23 PF00244 0 - (0)? - / - / - 0
372B0VN5017 44% 0.56 PF00248 C5_S126 - (0)1 - / - / 1 0
373B0VL3719 49% 0.55 PF00248 C4_S127 - (0)2 3 / - / - 1
374B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
375B0VQS513 76% 0.60 PF00252 5 - (0)? - / - / - 0
376B0VQT111 62% 0.56 PF00253 0 - (0)? - / - / - 0
377B0VKU613 62% 0.52 PF00254 37 - (0)? - / - / - 0
378B0VML918 36% 0.62 PF00254 C3_S119 - (0)4 - / - / 2 0
379B0VTR120 53% 0.65 PF00254 C8_S134 - (0)5 - / 3 / - 1
380B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
381B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
382B0VNK818 46% 0.60 PF00255 5 - (0)? - / - / - 0
383B0VR8518 53% 0.60 PF00255 6 - (0)? - / - / - 0
384B0VUN00 32% 0.11 PF00266 10 - (10)? - / - / - 0
385B0VMW620 55% 0.51 PF00266 44 - (25)1 - / - / - 0
386B0VNW229 68% 0.55 PF00266 C1_S154 - (0)10 - / - / 22 1
387B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
388B0VSF513 22% 0.13 PF00267 16 - (0)? - / - / - 0
389B0VNC69 43% ? PF00267 12 - (0)? - / - / - 0
390B0VPK210 32% 0.17 PF00267 12 - (0)? - / - / - 0
391B0VQQ80 26% 0.39 PF00268 17 - (2)? - / - / - 0
392B0VUG420 55% 0.54 PF00268 C4_S16 - (0)3 - / - / 3 0
393B0VLH10 42% 0.47 PF00268 4 - (0)? - / - / - 0
394B0VPE10 19% 0.27 PF00271 1 - (1)? - / - / - 0
395B0VLQ816 45% 0.58 PF00271 C2_S117 - (0)1 - / - / 1 0
396B0VNV217 50% 0.51 PF00271 8 - (0)? - / - / - 0
397B0VN9417 22% 0.20 PF00271 16 - (0)? - / - / - 0
398B0VQP916 42% 0.46 PF00271 27 - (0)? - / - / - 0
399B0VU9612 43% 0.40 PF00271 15 - (0)? - / - / - 0
400B0VTP220 60% 0.54 PF00271 C3_S120 - (0)3 2 / 3 / 1 0

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