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]
350B0VML011 61% 0.36 PF01521 2 - (2)? - / - / - 0
351B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
352B0VSH516 61% ? PF00829 0 - (0)? - / - / - 0
353B0VPW37 61% 0.48 PF00903 35 - (0)? - / - / - 0
354B0VTL818 61% 0.54 PF02910 C2_S158 - (50)6 3 / - / 5 3
355B0VV9820 61% 0.57 PF02798 C1_S14 - (0)1 - / - / 1 0
356B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
357B0VMG320 61% 0.56 PF02789 14 - (0)? - / - / - 0
358B0VV2213 61% 0.64 PF00815 C4_S115 - (9)6 - / 2 / 4 2
359B0VM136 61% 0.35 PF00510 4 - (0)? - / - / - 0
360B0VNV712 61% 0.51 PF00111 C10_S195 - (0)2 - / - / 4 1
361B0VM6212 61% 0.55 PF00005 C4_S19 - (0)2 - / 3 / 2 1
362B0VT9919 60% 0.60 PF00578 C2_S112 - (0)3 - / - / 2 0
363B0VPW120 60% 0.48 PF09298 C4_S113 - (9)8 - / - / 8 2
364B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
365B0VTP220 60% 0.54 PF00271 C3_S120 - (0)3 2 / 3 / 1 0
366B0VM2615 60% 0.59 PF00472 0 - (0)? - / - / - 0
367B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
368B0VPX19 60% 0.45 PF00195 C2_S143 - (0)7 - / 3 / 4 1
369B0VPK41 60% 0.62 PF14604 3 - (0)? - / - / - 0
370B0VTI70 60% ? PF01475 5 - (0)? - / - / - 0
371B0VTF514 60% 0.61 PF01580 C3_S112 - (0)2 - / 3 / - 1
372B0VS1521 60% 0.63 PF00012 C1_S130 - (0)4 - / 9 / - 2
373B0VQ8720 60% 0.57 PF00171 C3_S128 - (0)8 - / 9 / 2 1
374B0VP1715 60% 0.53 PF01522 C3_S18 - (0)2 - / - / 2 1
375B0VN8416 60% 0.58 PF00440 21 - (0)? - / - / - 0
376B0VU4520 60% 0.43 PF00361 3 - (0)? - / - / - 0
377B0VVA70 60% 0.91 PF01261 3 - (0)? - / - / - 0
378B0VMC918 60% 0.52 PF01895 2 - (0)? - / - / - 0
379B0VKH11 60% 0.85 PF00990 2 - (0)? - / - / - 0
380B0VNK318 60% 0.64 PF00231 2 - (0)? - / - / - 0
381B0VPT529 60% 0.55 PF01380 C2_S116 - (14)11 - / - / 12 5
382B0VKP922 59% 0.55 PF13603 C1_S116 - (0)4 - / 4 / 1 1
383B0VT0810 59% 0.36 PF01433 12 - (0)1 - / - / - 0
384B0VQ7421 59% 0.60 PF00080 10 - (0)1 - / - / - 0
385B0VN8511 59% 0.51 PF00005 29 - (0)1 - / - / - 0
386B0VR3717 59% 0.54 PF02075 2 - (0)? - / - / - 0
387B0VKT114 59% 0.43 PF00171 9 - (5)1 - / - / - 0
388B0VSK719 59% 0.49 PF02779 8 - (6)? - / - / - 0
389B0VQ4718 59% 0.61 PF00210 34 - (0)1 - / - / - 0
390B0VTZ217 59% 0.60 PF01479 C5_S112 - (0)4 - / - / 2 0
391B0VNY914 59% 0.47 PF02817 14 - (1)? - / - / - 0
392B0VL4820 59% 0.27 PF00593 C4_S191 - (0)1 - / - / 1 0
393B0VV920 59% 0.47 PF01044 0 - (0)? - / - / - 0
394B0VTQ118 59% 0.48 PF01926 C1_S143 - (0)1 - / 1 / - 0
395B0VV4216 59% 0.60 PF04166 C1_S117 - (5)2 - / - / 3 1
396B0VKT87 59% 0.52 PF03453 2 - (0)? - / - / - 0
397B0VRW517 59% 0.46 -4 - (0)? - / - / - 0
398B0VNU212 59% 0.87 PF01649 1 - (0)? - / - / - 0
399B0VLU514 59% ? PF03840 3 - (0)? - / - / - 0
400B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0

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