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]
450B0VLW415 26% 0.52 PF01614 2 - (0)? - / - / - 0
451B0VLW520 34% 0.37 PF13532 C4_S1102 - (0)2 - / - / 1 0
452B0VLW94 33% 0.29 PF13288 7 - (0)? - / - / - 0
453B0VLX014 23% 0.36 PF02551 2 - (0)? - / - / - 0
454B0VLX116 58% 0.60 PF08459 24 - (0)? - / - / - 0
455B0VLX214 33% ? PF03738 5 - (0)? - / - / - 0
456B0VLX312 28% 0.60 PF05373 19 - (0)? - / - / - 0
457B0VLX421 63% 0.57 PF02737 C2_S138 - (36)7 4 / 1 / 3 1
458B0VLX525 66% 0.44 PF00108 C3_S117 - (0)6 - / - / 3 0
459B0VLX60 32% 0.33 PF02811 2 - (0)? - / - / - 0
460B0VLX720 31% 0.58 PF00561 11 - (0)? - / - / - 0
461B0VLX90 30% 0.24 PF00076 0 - (0)? - / - / - 0
462B0VLY20 35% 0.59 PF00719 1 - (1)? - / - / - 0
463B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
464B0VLY61 27% 0.23 PF00244 0 - (0)? - / - / - 0
465B0VLY79 52% 0.26 PF01389 34 - (0)0 - / - / - 0
466B0VLY812 45% ? PF05662 4 - (0)? - / - / - 0
467B0VLY919 26% 0.26 PF00561 15 - (7)1 - / - / - 0
468B0VLZ016 41% 0.39 PF03061 6 - (0)? - / - / - 0
469B0VLZ10 42% 0.04 PF00083 3 - (0)? - / - / - 0
470B0VLZ20 37% 0.07 PF01175 1 - (0)? - / - / - 0
471B0VLZ561 70% 0.44 PF04998 C3_S195 - (0)0 - / 2 / 34 0
472B0VLZ659 71% 0.50 PF04560 C5_S188 - (0)0 - / - / 28 0
473B0VLZ715 75% 0.70 PF16320 C5_S17 - (3)2 - / 1 / 1 0
474B0VLZ811 52% 0.50 PF00466 4 - (0)? - / - / - 0
475B0VLZ920 64% 0.42 PF00687 7 - (0)? - / - / - 0
476B0VM030 33% 0.72 PF02863 46 - (0)? - / - / - 0
477B0VM0720 43% 0.53 PF03796 25 - (0)? - / - / - 0
478B0VM0818 64% 0.58 PF01281 0 - (0)? - / - / - 0
479B0VM0912 83% 0.68 PF01084 1 - (0)? - / - / - 0
480B0VM1017 69% 0.61 PF01250 5 - (0)? - / - / - 0
481B0VM113 37% 0.26 PF14604 7 - (0)? - / - / - 0
482B0VM120 47% 0.12 PF02285 4 - (0)? - / - / - 0
483B0VM136 61% 0.35 PF00510 4 - (0)? - / - / - 0
484B0VM1420 67% 0.35 PF00115 C1_S157 - (0)3 2 / - / 2 0
485B0VM1514 52% 0.23 PF02790 10 - (0)? - / - / - 0
486B0VM163 22% 0.73 PF02213 0 - (0)? - / - / - 0
487B0VM1719 36% 0.38 PF01326 C2_S14 - (0)2 - / 3 / - 1
488B0VM1813 42% 0.34 PF01202 12 - (7)? - / - / - 0
489B0VM210 42% 0.46 PF01268 5 - (0)? - / - / - 0
490B0VM220 42% 0.19 PF00042 19 - (0)? - / - / - 0
491B0VM2512 38% 0.48 PF01965 5 - (0)? - / - / - 0
492B0VM2615 60% 0.59 PF00472 0 - (0)? - / - / - 0
493B0VM2712 46% 0.49 PF05175 C2_S132 - (22)6 - / 2 / 3 0
494B0VM2810 41% 0.46 PF12833 25 - (0)? - / - / - 0
495B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
496B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
497B0VM3120 52% 0.47 PF13193 C1_S157 - (25)9 - / 7 / 2 2
498B0VM3216 63% 0.46 PF01613 C3_S174 - (0)2 2 / - / 1 1
499B0VM3315 39% 0.54 PF00899 C2_S112 - (0)3 - / 2 / 1 0
500B0VM3413 21% ? PF00069 19 - (5)? - / - / - 0

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