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]
400B0VKB420 40% 0.60 PF01210 C2_S136 - (25)4 1 / - / 1 0
401B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
402B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
403B0VMQ418 46% 0.60 PF02706 31 - (0)? - / - / - 0
404B0VQB921 46% 0.60 PF00459 C6_S122 - (16)6 - / - / 4 1
405B0VU2219 78% 0.60 PF00692 C3_S127 - (18)2 - / - / 4 1
406B0VPU323 46% 0.60 -C2_S121 - (4)5 - / - / 1 0
407B0VSE812 74% 0.60 PF00301 4 - (0)? - / - / - 0
408B0VLM60 38% 0.60 PF02826 0 - (0)? - / - / - 0
409B0VKV17 23% 0.60 PF00691 2 - (0)? - / - / - 0
410B0VQS513 76% 0.60 PF00252 5 - (0)? - / - / - 0
411B0VNK818 46% 0.60 PF00255 5 - (0)? - / - / - 0
412B0VR9419 99% 0.60 PF01220 C5_S130 - (0)1 - / - / 1 0
413B0VQ7421 59% 0.60 PF00080 10 - (0)1 - / - / - 0
414B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
415B0VUA20 35% 0.60 PF00487 2 - (0)? - / - / - 0
416B0VTX021 69% 0.60 PF13793 C9_S127 - (27)8 - / 1 / 13 2
417B0VLX312 28% 0.60 PF05373 19 - (0)? - / - / - 0
418B0VKI45 45% 0.60 PF01799 1 - (0)? - / - / - 0
419B0VPN513 64% 0.60 PF00106 C1_S1103 - (74)6 4 / - / 1 1
420B0VME011 62% 0.60 PF01258 1 - (0)? - / - / - 0
421B0VQ2518 57% 0.60 PF08245 C2_S152 - (30)6 1 / 2 / 3 0
422B0VPM81 36% 0.60 PF00092 4 - (0)? - / - / - 0
423B0VLW015 46% 0.60 PF03652 5 - (0)? - / - / - 0
424B0VM4120 52% 0.60 PF00486 12 - (0)3 - / - / - 0
425B0VV4517 40% 0.60 PF02798 6 - (2)1 - / - / - 0
426B0VV897 38% 0.60 PF00583 33 - (16)1 - / - / - 0
427B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
428B0VUG222 100% 0.60 PF00486 C2_S117 - (0)2 - / - / 2 0
429B0VV2124 36% 0.60 PF00155 C1_S126 - (19)8 - / 1 / 10 2
430B0VTY75 49% 0.60 PF06114 2 - (0)? - / - / - 0
431B0VR8518 53% 0.60 PF00255 6 - (0)? - / - / - 0
432B0VQN721 37% 0.60 PF00848 C2_S140 - (0)2 - / - / 21 0
433B0VTM616 64% 0.60 PF01926 C2_S131 - (0)4 7 / 2 / - 2
434B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
435B0VTC820 49% 0.60 PF01168 C2_S129 - (18)3 - / - / 5 1
436B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
437B0VSA620 71% 0.60 PF02812 C8_S14 - (0)1 1 / - / - 1
438B0VVB49 32% 0.60 PF00762 13 - (0)? - / - / - 0
439B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
440B0VT9919 60% 0.60 PF00578 C2_S112 - (0)3 - / - / 2 0
441B0VTZ217 59% 0.60 PF01479 C5_S112 - (0)4 - / - / 2 0
442B0VPM74 32% 0.60 PF00004 C4_S112 - (0)1 - / 1 / - 1
443B0VV4216 59% 0.60 PF04166 C1_S117 - (5)2 - / - / 3 1
444B0VUP120 41% 0.60 PF02445 C2_S143 - (0)11 - / - / 14 1
445B0VM7021 66% 0.60 PF00160 C6_S1109 - (2)14 - / - / 7 0
446B0VKQ718 100% 0.59 PF00929 14 - (10)? - / - / - 0
447B0VVD40 28% 0.59 PF00576 2 - (0)? - / - / - 0
448B0VSA810 69% 0.59 PF00730 C2_S1106 - (0)3 1 / 3 / - 0
449B0VM8420 37% 0.59 PF02110 C5_S124 - (19)4 - / - / 3 0
450B0VRN720 42% 0.59 PF14437 C4_S142 - (5)4 - / - / 2 1

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