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]
100B0VT1717 32% 0.62 PF00881 C2_S188 - (56)2 - / - / 1 0
101B0VLZ659 71% 0.50 PF04560 C5_S188 - (0)0 - / - / 28 0
102B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
103B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
104B0VL1319 29% 0.49 PF00743 C1_S186 - (69)3 2 / 1 / - 0
105B0VTC117 59% 0.47 PF01593 C2_S186 - (76)1 - / - / 1 0
106B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
107B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
108B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
109B0VTQ620 46% 0.62 PF01180 C3_S182 - (43)2 5 / 5 / - 1
110B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
111B0VMY520 98% ? PF00005 C2_S180 - (78)9 - / 3 / 1 0
112B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
113B0VS5820 51% 0.37 PF00132 80 - (34)? - / - / - 0
114B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
115B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
116B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
117B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
118B0VU2710 48% 0.55 PF00142 C2_S178 - (76)4 - / 4 / - 2
119B0VRZ323 38% 0.45 PF00175 C2_S177 - (65)6 - / 4 / 7 0
120B0VKK912 34% 0.40 PF00106 C1_S177 - (60)6 2 / 2 / - 0
121B0VQ6824 61% 0.67 PF02826 C1_S177 - (31)9 7 / - / 4 2
122B0VP4620 35% 0.52 PF00106 C2_S176 - (55)6 4 / - / 2 0
123B0VPU020 53% 0.53 PF00885 C7_S175 - (59)12 - / - / 3 1
124B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
125B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
126B0VM3216 63% 0.46 PF01613 C3_S174 - (0)2 2 / - / 1 1
127B0VSJ370 71% 0.68 PF04545 C6_S174 - (0)2 30 / - / 5 0
128B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
129B0VTF911 46% 0.63 PF13302 C1_S173 - (44)4 - / 4 / 1 0
130B0VKH80 50% 0.17 PF01180 72 - (0)? - / - / - 0
131B0VQR121 45% 0.62 PF00042 C3_S171 - (10)5 1 / 2 / 4 0
132B0VUU440 41% 0.65 PF02219 C11_S171 - (59)6 28 / 2 / 3 1
133B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
134B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
135B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
136B0VUC740 73% 0.53 PF00037 C4_S171 - (0)4 - / - / 40 1
137B0VNG223 59% 0.56 PF13193 C2_S171 - (30)10 - / 5 / 5 0
138B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
139B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
140B0VV0913 52% 0.46 PF00293 C1_S170 - (27)1 - / - / 1 0
141B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
142B0VKB126 40% 0.61 PF00271 C2_S170 - (0)7 2 / - / 6 1
143B0VTH612 68% 0.47 PF00037 C4_S169 - (0)2 - / - / 10 0
144B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
145B0VL0421 50% 0.61 PF00701 C7_S169 - (0)13 - / - / 7 0
146B0VST017 42% 0.43 PF02028 69 - (0)? - / - / - 0
147B0VQP423 50% 0.43 PF01926 C2_S169 - (0)6 5 / 10 / 4 2
148B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
149B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
150B0VPS020 40% 0.46 PF00175 C1_S167 - (45)4 2 / - / 1 0

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