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]
450B0VRF918 55% 0.51 PF00171 C3_S18 - (0)1 - / 1 / - 1
451B0VND120 57% 0.54 PF01565 C1_S132 - (23)2 4 / - / - 1
452B0VLD915 50% 0.71 PF00753 C2_S130 - (10)2 - / - / 2 1
453B0VQU620 49% 0.55 PF02771 C2_S142 - (37)5 3 / 3 / - 1
454B0VS7013 62% 0.58 PF13580 C2_S116 - (0)2 - / - / 3 1
455B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
456B0VS1820 45% 0.58 PF02545 C5_S18 - (3)2 - / - / 2 1
457B0VTA57 30% 0.27 PF04055 C5_S158 - (4)5 - / - / 4 1
458B0VQ0711 39% 0.36 PF00860 C3_S122 - (0)2 - / - / 3 1
459B0VL7912 74% 0.63 PF00830 0 - (0)? - / - / - 0
460B0VRM74 27% 0.67 PF01842 7 - (0)? - / - / - 0
461B0VKB020 68% 0.70 PF00313 C1_S133 - (0)4 1 / - / - 0
462B0VPP917 48% 0.75 PF01399 6 - (0)? - / - / - 0
463B0VT6516 37% ? PF00574 2 - (0)? - / - / - 0
464B0VL2716 91% 0.62 PF02599 C2_S16 - (0)2 - / 3 / - 0
465B0VTZ815 39% 0.51 PF08282 27 - (2)1 - / - / - 0
466B0VSR720 44% 0.52 PF00884 C2_S117 - (0)5 - / - / 4 0
467B0VNF02 23% 0.53 PF01206 1 - (0)? - / - / - 0
468B0VMV018 38% 0.39 PF07244 4 - (0)? - / - / - 0
469B0VQ486 49% 0.86 PF03770 8 - (1)? - / - / - 0
470B0VRG213 35% 0.38 PF00782 13 - (0)? - / - / - 0
471B0VL9219 58% 0.59 PF00107 13 - (9)? - / - / - 0
472B0VSY80 67% 0.10 PF02419 3 - (0)? - / - / - 0
473B0VRH621 67% 0.48 PF00108 C4_S121 - (8)8 - / - / 4 0
474B0VN8511 59% 0.51 PF00005 29 - (0)1 - / - / - 0
475B0VNI39 32% 0.55 PF01047 9 - (0)? - / - / - 0
476B0VSX40 35% 0.39 PF00059 3 - (0)? - / - / - 0
477B0VST60 30% ? PF04998 11 - (7)? - / - / - 0
478B0VLN614 38% 0.54 PF03466 3 - (0)? - / - / - 0
479B0VPR20 48% 0.40 PF05371 14 - (0)? - / - / - 0
480B0VVH115 53% 0.52 PF03575 0 - (0)? - / - / - 0
481B0VPV120 79% 0.87 PF00221 C5_S18 - (0)4 - / - / 3 0
482B0VRQ53 33% 0.39 PF00400 1 - (0)? - / - / - 0
483B0VL470 28% 0.21 PF15009 5 - (0)? - / - / - 0
484B0VTF06 34% 0.47 PF03775 0 - (0)? - / - / - 0
485B0VP689 30% ? PF00005 8 - (0)? - / - / - 0
486B0VS770 39% 0.73 PF01381 20 - (0)? - / - / - 0
487B0VLG49 35% 0.57 PF00583 56 - (34)? - / - / - 0
488B0VMY016 44% 0.55 PF02527 12 - (0)? - / - / - 0
489B0VMA214 20% 0.47 PF02635 4 - (0)? - / - / - 0
490B0VV820 31% 0.43 PF08752 1 - (0)? - / - / - 0
491B0VMH90 31% 0.47 PF00746 4 - (0)? - / - / - 0
492B0VLT65 33% 0.41 PF02038 2 - (2)? - / - / - 0
493B0VQY12 23% 0.29 PF09480 2 - (0)? - / - / - 0
494B0VLD410 49% 0.32 PF00001 30 - (0)? - / - / - 0
495B0VRP66 34% 0.30 PF05488 2 - (0)? - / - / - 0
496B0VQ8212 16% 0.44 PF06500 11 - (1)? - / - / - 0
497B0VKF44 26% 0.27 PF11602 1 - (0)? - / - / - 0
498B0VUC817 45% 0.49 PF00583 33 - (20)0 - / - / - 0
499B0VKY14 36% 0.53 PF02794 2 - (0)? - / - / - 0
500B0VP556 39% 0.65 PF12796 34 - (0)? - / - / - 0

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