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]
450B0VLJ421 57% 0.43 PF00403 C1_S113 - (0)5 - / 4 / 2 2
451B0VSE43 57% 0.30 PF11798 8 - (8)? - / - / - 0
452B0VM3811 57% 0.43 PF00690 2 - (0)1 - / - / - 0
453B0VLR11 57% 0.33 PF04669 0 - (0)? - / - / - 0
454B0VR1323 57% 0.53 PF01597 18 - (0)7 - / - / - 0
455B0VLH620 57% 0.50 PF02798 2 - (0)2 - / - / - 0
456B0VS420 57% 0.40 PF04022 1 - (0)? - / - / - 0
457B0VT8920 57% 0.62 PF05496 C1_S126 - (0)7 - / 12 / 5 4
458B0VQP313 57% 0.57 PF02583 1 - (0)? - / - / - 0
459B0VND120 57% 0.54 PF01565 C1_S132 - (23)2 4 / - / - 1
460B0VLD84 57% 0.52 PF03884 0 - (0)? - / - / - 0
461B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
462B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
463B0VUZ410 57% 0.43 PF00293 C1_S1109 - (61)5 - / - / 3 0
464B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
465B0VQ2518 57% 0.60 PF08245 C2_S152 - (30)6 1 / 2 / 3 0
466B0VSP718 57% 0.59 PF00753 13 - (6)? - / - / - 0
467B0VV7819 57% 0.52 PF01039 C3_S14 - (0)1 - / - / 2 0
468B0VNF420 56% 0.37 PF01037 29 - (0)? - / - / - 0
469B0VL5011 56% 0.53 PF00682 C3_S125 - (17)3 - / - / 1 0
470B0VQ1220 56% 0.56 PF00551 52 - (0)5 - / - / - 0
471B0VP620 56% 0.81 PF11576 2 - (0)? - / - / - 0
472B0VTW419 56% 0.57 PF01479 13 - (0)1 - / - / - 0
473B0VP1513 56% 0.52 PF12796 6 - (0)? - / - / - 0
474B0VM8120 56% 0.57 PF00465 C4_S138 - (33)5 - / 6 / - 2
475B0VMI30 56% ? PF12777 4 - (0)? - / - / - 0
476B0VP2518 56% 0.50 PF01494 C2_S158 - (0)2 5 / - / - 1
477B0VT9220 56% 0.53 PF02769 C4_S121 - (16)4 - / - / 4 0
478B0VTM116 56% 0.41 PF00196 13 - (0)? - / - / - 0
479B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
480B0VL455 56% 0.52 PF00959 C6_S18 - (0)1 - / - / 1 0
481B0VU685 56% 0.52 PF00959 C2_S110 - (0)1 - / - / 1 0
482B0VMS026 56% 0.57 PF00483 C1_S153 - (39)6 - / 13 / 1 3
483B0VMX26 56% 0.56 PF00240 0 - (0)? - / - / - 0
484B0VNS87 56% 0.57 PF02472 1 - (0)? - / - / - 0
485B0VLI820 56% 0.59 PF08541 C1_S129 - (16)3 - / - / 1 0
486B0VRI03 56% 0.32 PF06178 18 - (0)1 - / - / - 0
487B0VLU318 56% 0.58 PF00575 4 - (0)? - / - / - 0
488B0VR8620 56% 0.61 PF01641 C2_S111 - (0)1 - / - / 1 0
489B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
490B0VL736 56% 0.59 PF02472 1 - (0)? - / - / - 0
491B0VU4618 56% 0.39 PF00662 2 - (0)? - / - / - 0
492B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
493B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
494B0VN0219 56% 0.52 PF00216 C7_S156 - (0)2 3 / - / 4 0
495B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
496B0VPH017 56% 0.61 PF00012 C1_S126 - (21)4 - / 6 / - 2
497B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
498B0VUG818 55% 0.50 PF01613 51 - (0)? - / - / - 0
499B0VQK119 55% 0.63 PF02617 C1_S19 - (0)5 - / - / 5 1
500B0VSH923 55% 0.50 PF00587 C2_S139 - (38)9 - / 6 / 6 2

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