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]
200B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5
201B0VMS026 56% 0.57 PF00483 C1_S153 - (39)6 - / 13 / 1 3
202B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
203B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
204B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
205B0VT8920 57% 0.62 PF05496 C1_S126 - (0)7 - / 12 / 5 4
206B0VSM534 80% 0.66 PF01434 C3_S120 - (20)3 - / 12 / 5 2
207B0VKC718 62% 0.58 PF00814 C2_S132 - (31)10 - / 12 / 1 5
208B0VKN220 49% 0.60 PF00899 C1_S123 - (0)4 - / 12 / - 2
209B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
210B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
211B0VP0829 44% 0.51 PF03372 C1_S1103 - (1)10 - / 11 / 5 2
212B0VLP919 51% 0.64 PF00588 C3_S135 - (0)6 - / 11 / 1 1
213B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
214B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
215B0VMY728 48% 0.48 PF02348 C1_S141 - (33)10 - / 10 / 11 4
216B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
217B0VNB821 67% 0.57 PF13193 C6_S158 - (28)10 - / 9 / 6 2
218B0VTG322 72% 0.50 PF03144 C1_S152 - (0)6 - / 9 / 5 2
219B0VQ8720 60% 0.57 PF00171 C3_S128 - (0)8 - / 9 / 2 1
220B0VS1521 60% 0.63 PF00012 C1_S130 - (0)4 - / 9 / - 2
221B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
222B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
223B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
224B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
225B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
226B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
227B0VQD519 65% 0.56 PF03070 C2_S136 - (10)5 - / 8 / 5 2
228B0VPG118 42% 0.49 PF00905 C2_S123 - (0)10 - / 8 / 4 6
229B0VKN824 65% 0.56 PF03144 C2_S118 - (0)3 - / 8 / 2 2
230B0VPJ623 45% 0.51 PF08402 C3_S115 - (0)6 - / 8 / 1 2
231B0VUA927 40% 0.51 PF02776 C7_S139 - (19)5 - / 8 / 1 2
232B0VSI020 54% 0.59 PF00590 C1_S130 - (25)3 - / 8 / - 1
233B0VQQ920 55% 0.53 PF01926 C2_S160 - (0)4 - / 8 / - 2
234B0VS6620 66% 0.59 PF00005 C1_S122 - (0)4 - / 8 / - 2
235B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
236B0VPC732 78% 0.54 PF02550 C4_S143 - (0)9 - / 7 / 24 3
237B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
238B0VUB527 39% 0.43 PF00005 C1_S145 - (44)12 - / 7 / 13 6
239B0VPN835 55% 0.54 PF00158 C5_S138 - (0)10 - / 7 / 12 5
240B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
241B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
242B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
243B0VL5418 47% 0.48 PF01725 C4_S118 - (15)4 - / 7 / 2 2
244B0VNT728 33% 0.43 PF00005 C2_S149 - (0)11 - / 7 / 2 0
245B0VM3120 52% 0.47 PF13193 C1_S157 - (25)9 - / 7 / 2 2
246B0VQZ616 54% 0.63 PF00571 C1_S196 - (0)6 - / 7 / 1 1
247B0VT3720 63% 0.56 PF01012 C2_S126 - (0)2 - / 7 / - 1
248B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
249B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
250B0VSH923 55% 0.50 PF00587 C2_S139 - (38)9 - / 6 / 6 2

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