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]
400B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
401B0VV920 59% 0.47 PF01044 0 - (0)? - / - / - 0
402B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
403B0VNY914 59% 0.47 PF02817 14 - (1)? - / - / - 0
404B0VKT114 59% 0.43 PF00171 9 - (5)1 - / - / - 0
405B0VN8511 59% 0.51 PF00005 29 - (0)1 - / - / - 0
406B0VQ7421 59% 0.60 PF00080 10 - (0)1 - / - / - 0
407B0VUD819 59% 0.57 PF12464 41 - (23)3 - / - / - 0
408B0VPV417 59% 0.39 PF07702 24 - (0)? - / - / - 0
409B0VMF021 59% 0.50 PF00291 C3_S145 - (39)4 - / 2 / 7 2
410B0VQK021 59% 0.46 PF10431 C2_S116 - (0)6 1 / 8 / 4 3
411B0VP0018 59% 0.50 PF08443 C3_S122 - (0)1 - / 2 / - 1
412B0VKS219 59% 0.56 PF04055 C4_S146 - (3)4 - / - / 13 0
413B0VQ4718 59% 0.61 PF00210 34 - (0)1 - / - / - 0
414B0VSH021 59% 0.46 PF00873 15 - (0)0 - / - / - 0
415B0VQN20 58% ? PF02723 1 - (0)? - / - / - 0
416B0VQT820 58% 0.50 PF00344 3 - (0)? - / - / - 0
417B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
418B0VQE817 58% 0.55 PF03992 8 - (0)1 - / - / - 0
419B0VRL817 58% 0.40 PF01575 14 - (0)? - / - / - 0
420B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
421B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
422B0VMX915 58% 0.53 PF00483 66 - (12)? - / - / - 0
423B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
424B0VV4920 58% 0.44 PF00378 8 - (0)2 - / - / - 0
425B0VT3822 58% 0.49 PF00766 C3_S127 - (27)2 9 / - / - 1
426B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
427B0VMU520 58% 0.68 PF01765 4 - (0)2 - / - / - 0
428B0VV4617 58% 0.61 PF04386 2 - (0)? - / - / - 0
429B0VL9219 58% 0.59 PF00107 13 - (9)? - / - / - 0
430B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5
431B0VTU40 58% 0.96 PF00196 4 - (0)? - / - / - 0
432B0VND70 58% 0.15 PF05371 29 - (17)? - / - / - 0
433B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
434B0VLB619 58% 0.57 PF00293 C1_S118 - (0)3 - / 2 / 2 1
435B0VKW916 58% 0.52 PF01979 5 - (0)? - / - / - 0
436B0VLX116 58% 0.60 PF08459 24 - (0)? - / - / - 0
437B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
438B0VQT416 58% 0.78 PF00861 0 - (0)? - / - / - 0
439B0VP5723 58% 0.57 PF02580 C11_S130 - (0)12 - / 2 / 5 1
440B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
441B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
442B0VV7819 57% 0.52 PF01039 C3_S14 - (0)1 - / - / 2 0
443B0VSM419 57% 0.68 PF01728 C1_S119 - (13)1 - / - / 1 0
444B0VLH620 57% 0.50 PF02798 2 - (0)2 - / - / - 0
445B0VS420 57% 0.40 PF04022 1 - (0)? - / - / - 0
446B0VUR518 57% 0.62 PF01227 C11_S124 - (0)6 - / 2 / 15 2
447B0VNU419 57% 0.61 PF03737 C6_S115 - (0)4 - / - / 3 1
448B0VSE43 57% 0.30 PF11798 8 - (8)? - / - / - 0
449B0VSL420 57% 0.56 PF00579 C4_S138 - (31)9 - / - / 8 2
450B0VLJ421 57% 0.43 PF00403 C1_S113 - (0)5 - / 4 / 2 2

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