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]
400B0VQD120 29% 0.48 PF00149 C1_S127 - (9)6 - / 1 / 4 0
401B0VKX420 80% 0.79 PF00764 C3_S125 - (22)8 - / 1 / 4 2
402B0VMP420 68% 0.51 PF03725 C1_S112 - (0)5 - / 1 / 4 0
403B0VKJ520 37% 0.52 PF13193 C4_S154 - (22)5 - / 1 / 4 0
404B0VME125 45% 0.53 PF00749 C8_S120 - (17)4 - / 1 / 4 2
405B0VS7120 54% 0.58 PF01406 C2_S130 - (15)6 - / 1 / 4 2
406B0VR8720 65% 0.58 PF00155 C1_S133 - (28)5 - / 1 / 3 1
407B0VQX820 35% 0.49 PF10637 C3_S132 - (0)5 - / 1 / 3 1
408B0VMR120 41% 0.45 PF00793 C6_S115 - (6)5 - / 1 / 3 1
409B0VQA218 62% 0.56 PF02091 C1_S118 - (13)5 - / 1 / 3 1
410B0VUG319 72% 0.51 PF00317 C3_S116 - (16)3 - / 1 / 2 0
411B0VV4120 53% 0.62 PF00398 C1_S116 - (0)1 - / 1 / 2 0
412B0VV8422 52% ? PF01588 C1_S14 - (3)4 - / 1 / 2 2
413B0VR6520 48% 0.52 PF00296 C4_S118 - (9)2 - / 1 / 2 1
414B0VPD819 71% 0.56 PF00005 C1_S112 - (0)3 - / 1 / 2 0
415B0VLL011 38% 0.45 PF11531 C2_S16 - (0)3 - / 1 / 2 0
416B0VT3120 32% 0.46 PF03747 C7_S16 - (0)3 - / 1 / 1 0
417B0VLZ715 75% 0.70 PF16320 C5_S17 - (3)2 - / 1 / 1 0
418B0VL6411 39% 0.43 PF00058 C4_S112 - (0)3 - / 1 / 1 1
419B0VLQ218 40% 0.43 PF00795 C3_S142 - (2)? - / 1 / 1 0
420B0VMM120 43% 0.37 PF01588 C1_S132 - (11)1 - / 1 / 1 0
421B0VKV320 48% 0.41 PF00293 C2_S165 - (29)6 - / 1 / 1 1
422B0VSQ220 40% 0.37 PF00905 C4_S114 - (0)3 - / 1 / 1 0
423B0VQ1319 40% 0.51 PF01029 C2_S17 - (0)1 - / 1 / - 0
424B0VPM74 32% 0.60 PF00004 C4_S112 - (0)1 - / 1 / - 1
425B0VRV48 35% 0.47 PF02245 C3_S116 - (0)1 - / 1 / - 0
426B0VRJ69 30% 0.46 PF03144 C3_S15 - (0)1 - / 1 / - 0
427B0VTQ118 59% 0.48 PF01926 C1_S143 - (0)1 - / 1 / - 0
428B0VL7820 35% 0.55 PF00171 C4_S126 - (26)1 - / 1 / - 0
429B0VRA014 45% 0.50 PF02811 C4_S16 - (0)2 - / 1 / - 0
430B0VP9415 47% 0.53 PF03471 C2_S112 - (0)1 - / 1 / - 0
431B0VQ3720 44% 0.36 PF07992 C4_S126 - (23)1 - / 1 / - 0
432B0VTC711 35% 0.44 PF04423 C1_S119 - (0)1 - / 1 / - 0
433B0VTQ512 33% 0.47 PF01207 C2_S131 - (24)1 - / 1 / - 0
434B0VLF313 28% 0.28 PF00929 C2_S121 - (17)1 - / 1 / - 0
435B0VUA112 31% 0.38 PF00175 C3_S161 - (41)2 - / 1 / - 0
436B0VRF918 55% 0.51 PF00171 C3_S18 - (0)1 - / 1 / - 1
437B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
438B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
439B0VUC740 73% 0.53 PF00037 C4_S171 - (0)4 - / - / 40 1
440B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
441B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
442B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
443B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
444B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
445B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
446B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
447B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
448B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
449B0VLZ659 71% 0.50 PF04560 C5_S188 - (0)0 - / - / 28 0
450B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4

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