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]
50B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
51B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
52B0VT3948 69% 0.51 PF00521 C4_S1111 - (0)8 - / 3 / 29 1
53B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
54B0VM7021 66% 0.60 PF00160 C6_S1109 - (2)14 - / - / 7 0
55B0VUZ410 57% 0.43 PF00293 C1_S1109 - (61)5 - / - / 3 0
56B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
57B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
58B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
59B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
60B0VSA810 69% 0.59 PF00730 C2_S1106 - (0)3 1 / 3 / - 0
61B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
62B0VSN516 55% 0.43 PF02737 C1_S1105 - (75)3 8 / - / 1 1
63B0VV5220 41% 0.52 PF00106 C1_S1104 - (74)1 - / - / 1 0
64B0VP0829 44% 0.51 PF03372 C1_S1103 - (1)10 - / 11 / 5 2
65B0VPN513 64% 0.60 PF00106 C1_S1103 - (74)6 4 / - / 1 1
66B0VLW520 34% 0.37 PF13532 C4_S1102 - (0)2 - / - / 1 0
67B0VLL525 35% 0.56 PF14759 C1_S1101 - (0)2 - / - / 2 0
68B0VT8094 42% 0.49 PF00316 C7_S1101 - (96)11 - / 1 / 81 5
69B0VRC98 43% 0.20 PF00593 101 - (0)? - / - / - 0
70B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
71B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
72B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
73B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
74B0VS600 42% 0.42 -100 - (0)? - / - / - 0
75B0VNF220 32% 0.08 PF00593 99 - (0)? - / - / - 0
76B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
77B0VT1824 55% 0.67 PF00106 C1_S198 - (59)6 - / 2 / 6 1
78B0VLC519 66% 0.52 PF00106 97 - (50)? - / - / - 0
79B0VR4120 63% 0.64 PF04055 C3_S197 - (11)3 - / - / 6 0
80B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
81B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
82B0VQZ616 54% 0.63 PF00571 C1_S196 - (0)6 - / 7 / 1 1
83B0VSE720 43% 0.56 PF02852 C1_S195 - (66)4 4 / - / 1 1
84B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
85B0VLZ561 70% 0.44 PF04998 C3_S195 - (0)0 - / 2 / 34 0
86B0VNV712 61% 0.51 PF00111 C10_S195 - (0)2 - / - / 4 1
87B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
88B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
89B0VLP827 48% 0.69 PF12804 C2_S193 - (77)6 - / - / 8 1
90B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
91B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1
92B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
93B0VL4820 59% 0.27 PF00593 C4_S191 - (0)1 - / - / 1 0
94B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
95B0VUC38 41% 0.48 PF00132 C1_S191 - (43)1 - / - / 1 0
96B0VKX614 53% 0.52 PF00724 C7_S191 - (45)3 1 / 3 / 1 1
97B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
98B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
99B0VUV218 47% 0.55 PF04055 C3_S189 - (13)7 - / 1 / 7 0
100B0VT1717 32% 0.62 PF00881 C2_S188 - (56)2 - / - / 1 0

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