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]
100B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3
101B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
102B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
103B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
104B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
105B0VLE338 38% 0.64 PF01177 C3_S142 - (34)8 2 / - / 25 3
106B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
107B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
108B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
109B0VU4037 44% 0.56 PF00175 C1_S1113 - (91)5 21 / 5 / 2 1
110B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
111B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
112B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
113B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
114B0VUT736 64% 0.70 PF00081 19 - (0)2 - / - / - 0
115B0VRK836 45% 0.46 PF01451 C8_S129 - (2)13 - / 3 / 18 6
116B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
117B0VKW836 55% 0.57 PF00929 C1_S160 - (52)3 4 / 26 / 4 1
118B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
119B0VU4335 65% 0.57 PF00156 C5_S156 - (45)12 - / 5 / 18 2
120B0VPN835 55% 0.54 PF00158 C5_S138 - (0)10 - / 7 / 12 5
121B0VUR635 44% 0.45 PF01799 C5_S130 - (16)7 - / - / 5 0
122B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
123B0VSM534 80% 0.66 PF01434 C3_S120 - (20)3 - / 12 / 5 2
124B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
125B0VNW634 70% 0.57 PF00216 C6_S160 - (0)3 4 / 1 / 9 1
126B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
127B0VUU233 42% 0.55 PF00196 C2_S147 - (0)5 3 / 8 / 12 2
128B0VKT733 45% 0.64 PF01081 C1_S129 - (28)4 - / - / 8 2
129B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
130B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
131B0VPC732 78% 0.54 PF02550 C4_S143 - (0)9 - / 7 / 24 3
132B0VSS732 66% 0.51 PF01852 C1_S143 - (43)3 - / 17 / 16 1
133B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
134B0VUU032 38% 0.44 PF12627 C3_S120 - (16)7 - / - / 14 3
135B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
136B0VQC831 47% 0.62 PF03641 C5_S118 - (0)10 - / - / 7 3
137B0VKK631 39% 0.53 PF12627 C5_S126 - (16)8 - / - / 16 3
138B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
139B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
140B0VVC931 43% 0.44 PF00145 C4_S1125 - (38)5 2 / 26 / 5 0
141B0VS6930 43% 0.66 PF08282 C2_S127 - (0)9 - / - / 6 3
142B0VPU130 52% 0.54 PF00926 C3_S126 - (0)8 - / - / 14 3
143B0VTM930 65% 0.64 PF03740 C6_S127 - (26)6 - / - / 12 3
144B0VNG330 67% 0.53 PF02771 C2_S147 - (45)8 8 / 7 / 2 3
145B0VP5630 64% 0.47 PF06628 C8_S117 - (4)4 10 / - / 2 1
146B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
147B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
148B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
149B0VTP629 41% 0.51 PF00044 C7_S137 - (34)4 10 / 13 / - 2
150B0VPT529 60% 0.55 PF01380 C2_S116 - (14)11 - / - / 12 5

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