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]
350B0VLI720 38% 0.43 PF07717 16 - (0)1 - / - / - 0
351B0VLI820 56% 0.59 PF08541 C1_S129 - (16)3 - / - / 1 0
352B0VLI90 38% 0.24 PF05001 0 - (0)? - / - / - 0
353B0VLJ120 38% 0.45 PF00848 C1_S124 - (0)2 - / - / 1 0
354B0VLJ224 82% 0.57 PF03466 C2_S115 - (0)5 - / - / 9 2
355B0VLJ35 46% 0.65 PF00403 10 - (0)1 - / - / - 0
356B0VLJ421 57% 0.43 PF00403 C1_S113 - (0)5 - / 4 / 2 2
357B0VLJ515 41% 0.61 PF13411 21 - (0)1 - / - / - 0
358B0VLJ65 26% 0.37 PF01096 0 - (0)? - / - / - 0
359B0VLJ710 42% 0.62 PF03860 0 - (0)? - / - / - 0
360B0VLJ80 16% 0.23 PF01365 1 - (0)? - / - / - 0
361B0VLK10 43% 0.37 PF06855 6 - (0)? - / - / - 0
362B0VLK217 45% 0.56 PF00753 C1_S128 - (11)4 - / - / 4 0
363B0VLK314 47% 0.53 PF00528 12 - (0)? - / - / - 0
364B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
365B0VLK58 35% 0.52 PF03180 5 - (0)? - / - / - 0
366B0VLK623 64% 0.54 PF02844 C1_S135 - (25)6 - / 2 / 11 4
367B0VLK720 45% 0.52 PF02142 C7_S114 - (8)2 - / - / 2 1
368B0VLK820 59% ? PF02954 7 - (0)? - / - / - 0
369B0VLK912 30% 0.66 PF03604 0 - (0)? - / - / - 0
370B0VLL011 38% 0.45 PF11531 C2_S16 - (0)3 - / 1 / 2 0
371B0VLL215 71% 0.50 PF13932 C5_S112 - (0)2 2 / - / - 1
372B0VLL30 17% 0.14 PF03980 1 - (0)? - / - / - 0
373B0VLL525 35% 0.56 PF14759 C1_S1101 - (0)2 - / - / 2 0
374B0VLL617 36% 0.46 PF01568 C3_S152 - (0)3 2 / - / 3 0
375B0VLL718 30% 0.46 PF12804 C1_S116 - (0)2 - / - / 1 0
376B0VLL80 38% 0.32 PF05001 4 - (0)? - / - / - 0
377B0VLL920 40% 0.54 PF05853 C5_S120 - (2)5 - / - / 4 0
378B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
379B0VLM112 33% 0.69 PF02230 C2_S133 - (2)2 - / - / 2 1
380B0VLM45 35% 0.36 -1 - (0)? - / - / - 0
381B0VLM513 36% 0.14 PF12833 26 - (0)? - / - / - 0
382B0VLM60 38% 0.60 PF02826 0 - (0)? - / - / - 0
383B0VLM70 25% 0.70 PF11511 0 - (0)? - / - / - 0
384B0VLN311 52% 0.55 PF01817 C3_S113 - (6)2 - / - / 1 1
385B0VLN420 40% 0.62 PF13404 46 - (0)? - / - / - 0
386B0VLN614 38% 0.54 PF03466 3 - (0)? - / - / - 0
387B0VLN70 36% 0.28 PF05160 3 - (0)? - / - / - 0
388B0VLN80 31% 0.28 PF00955 10 - (0)? - / - / - 0
389B0VLN920 39% 0.49 PF00155 C1_S138 - (0)3 - / - / 3 0
390B0VLP217 40% 0.45 PF13302 28 - (0)? - / - / - 0
391B0VLP315 18% 0.27 PF07690 24 - (0)? - / - / - 0
392B0VLP40 38% 0.27 PF05001 4 - (0)? - / - / - 0
393B0VLP617 29% 0.52 PF00561 12 - (2)? - / - / - 0
394B0VLP711 41% ? PF13181 8 - (0)? - / - / - 0
395B0VLP827 48% 0.69 PF12804 C2_S193 - (77)6 - / - / 8 1
396B0VLP919 51% 0.64 PF00588 C3_S135 - (0)6 - / 11 / 1 1
397B0VLQ018 55% 0.52 PF01336 13 - (0)0 - / - / - 0
398B0VLQ112 46% 0.44 PF00571 C1_S147 - (0)4 - / 1 / 6 2
399B0VLQ218 40% 0.43 PF00795 C3_S142 - (2)? - / 1 / 1 0
400B0VLQ319 52% 0.53 PF01588 C6_S18 - (0)3 - / - / 1 0

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