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]
400B0VM1420 67% 0.35 PF00115 C1_S157 - (0)3 2 / - / 2 0
401B0VR0720 34% ? PF00375 24 - (0)? - / - / - 0
402B0VSK420 40% 0.38 PF01127 C3_S135 - (0)3 - / 5 / - 2
403B0VKV320 48% 0.41 PF00293 C2_S165 - (29)6 - / 1 / 1 1
404B0VPY120 37% 0.49 PF07995 C1_S118 - (16)2 - / - / 1 0
405B0VQB820 52% 0.54 PF00456 14 - (0)? - / - / - 0
406B0VMS120 31% 0.49 PF03721 28 - (15)? - / - / - 0
407B0VMF920 27% 0.42 PF03572 2 - (0)? - / - / - 0
408B0VV6520 34% 0.43 PF00795 C2_S114 - (2)2 - / - / 2 1
409B0VU2920 99% 0.57 PF01588 C1_S125 - (8)6 - / - / 5 2
410B0VLJ120 38% 0.45 PF00848 C1_S124 - (0)2 - / - / 1 0
411B0VNF420 56% 0.37 PF01037 29 - (0)? - / - / - 0
412B0VM6420 52% 0.61 PF01715 C4_S127 - (7)9 - / - / 7 2
413B0VP2820 44% 0.19 PF00106 62 - (0)? - / - / - 0
414B0VMA420 61% 0.51 PF02357 5 - (0)? - / - / - 0
415B0VKQ820 82% 0.56 PF01926 C3_S137 - (0)3 - / 4 / - 1
416B0VUA320 35% 0.54 PF02525 C2_S1219 - (110)3 2 / - / - 0
417B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
418B0VKJ520 37% 0.52 PF13193 C4_S154 - (22)5 - / 1 / 4 0
419B0VLI720 38% 0.43 PF07717 16 - (0)1 - / - / - 0
420B0VNZ820 68% 0.61 PF08245 C1_S152 - (27)7 4 / 6 / - 2
421B0VQ1220 56% 0.56 PF00551 52 - (0)5 - / - / - 0
422B0VNM020 19% 0.14 PF00593 27 - (0)? - / - / - 0
423B0VP3120 32% 0.55 PF12697 14 - (8)? - / - / - 0
424B0VPG320 98% 0.58 PF08245 C1_S151 - (26)11 - / 6 / 2 0
425B0VT9220 56% 0.53 PF02769 C4_S121 - (16)4 - / - / 4 0
426B0VKL720 37% 0.53 PF00378 15 - (0)? - / - / - 0
427B0VM8120 56% 0.57 PF00465 C4_S138 - (33)5 - / 6 / - 2
428B0VQI920 27% 0.48 PF00561 17 - (1)? - / - / - 0
429B0VPD520 36% 0.49 PF00106 C1_S160 - (41)4 4 / - / - 0
430B0VRH920 37% 0.49 PF02515 18 - (17)? - / - / - 0
431B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
432B0VT3720 63% 0.56 PF01012 C2_S126 - (0)2 - / 7 / - 1
433B0VMF120 31% 0.46 PF00768 C1_S124 - (0)4 - / - / 2 0
434B0VV4920 58% 0.44 PF00378 8 - (0)2 - / - / - 0
435B0VND620 42% 0.49 PF00694 C5_S135 - (14)10 - / - / 6 0
436B0VRC020 32% 0.49 PF00534 39 - (22)? - / - / - 0
437B0VNT320 23% 0.46 PF00496 22 - (0)? - / - / - 0
438B0VV5020 36% 0.48 PF02771 36 - (32)? - / - / - 0
439B0VPG920 93% 0.48 PF00905 C2_S141 - (0)3 - / - / 3 2
440B0VPU020 53% 0.53 PF00885 C7_S175 - (59)12 - / - / 3 1
441B0VQR520 29% 0.47 PF01053 C1_S127 - (21)1 - / - / 1 0
442B0VSR720 44% 0.52 PF00884 C2_S117 - (0)5 - / - / 4 0
443B0VNZ020 63% 0.59 PF00456 17 - (0)? - / - / - 0
444B0VVA420 40% 0.54 PF00282 C1_S126 - (20)3 - / - / 3 0
445B0VLB220 36% 0.41 PF00694 C2_S135 - (14)10 - / - / 5 0
446B0VNX920 43% 0.62 PF00408 C1_S119 - (17)3 - / - / 2 0
447B0VLI820 56% 0.59 PF08541 C1_S129 - (16)3 - / - / 1 0
448B0VKM920 43% 0.62 PF01207 C3_S153 - (36)4 6 / 7 / - 1
449B0VPZ020 55% 0.52 PF03352 C3_S128 - (0)6 - / - / 5 1
450B0VT8920 57% 0.62 PF05496 C1_S126 - (0)7 - / 12 / 5 4

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