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]
100B0VP4923 35% ? PF00512 C4_S138 - (35)10 3 / 12 / 1 4
101B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
102B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
103B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
104B0VT8920 57% 0.62 PF05496 C1_S126 - (0)7 - / 12 / 5 4
105B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
106B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
107B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
108B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
109B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
110B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
111B0VMY728 48% 0.48 PF02348 C1_S141 - (33)10 - / 10 / 11 4
112B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
113B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
114B0VV7026 65% 0.55 PF00437 C4_S117 - (16)6 - / 3 / 7 4
115B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
116B0VLK623 64% 0.54 PF02844 C1_S135 - (25)6 - / 2 / 11 4
117B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
118B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
119B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
120B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
121B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
122B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
123B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
124B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
125B0VS6930 43% 0.66 PF08282 C2_S127 - (0)9 - / - / 6 3
126B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
127B0VUY925 46% 0.48 PF00437 C3_S114 - (13)5 - / 2 / 6 3
128B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
129B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
130B0VLG622 88% 0.45 PF10431 C2_S120 - (0)6 1 / 12 / - 3
131B0VV0323 47% 0.52 PF02771 C2_S143 - (39)6 1 / 6 / - 3
132B0VKK631 39% 0.53 PF12627 C5_S126 - (16)8 - / - / 16 3
133B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
134B0VMS026 56% 0.57 PF00483 C1_S153 - (39)6 - / 13 / 1 3
135B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
136B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3
137B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
138B0VQK826 50% 0.54 PF02254 C3_S146 - (0)6 - / 5 / 8 3
139B0VQB544 47% 0.55 PF08501 C4_S164 - (58)11 7 / 4 / 26 3
140B0VQN820 33% 0.51 PF01979 C2_S121 - (11)5 - / 2 / 6 3
141B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
142B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
143B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
144B0VP9325 43% 0.58 PF03641 C3_S120 - (0)10 - / - / 9 3
145B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3
146B0VQJ823 46% 0.58 PF00793 C6_S118 - (18)7 - / - / 7 3
147B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
148B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
149B0VQH020 91% 0.74 PF12391 C9_S119 - (16)9 - / - / 6 3
150B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3

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