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]
200B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
201B0VQC57 34% 0.65 PF05494 16 - (3)? - / - / - 0
202B0VQ142 42% 0.65 PF00067 9 - (0)? - / - / - 0
203B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
204B0VUU440 41% 0.65 PF02219 C11_S171 - (59)6 28 / 2 / 3 1
205B0VQ5619 69% 0.65 PF00886 2 - (0)? - / - / - 0
206B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
207B0VLI118 67% 0.65 PF07992 C1_S1173 - (153)2 7 / - / - 1
208B0VQX08 54% 0.65 PF01544 4 - (0)? - / - / - 0
209B0VLJ35 46% 0.65 PF00403 10 - (0)1 - / - / - 0
210B0VKU919 53% 0.65 PF00590 18 - (14)? - / - / - 0
211B0VSW80 40% 0.65 PF04433 5 - (0)? - / - / - 0
212B0VTV85 41% 0.65 PF03869 C2_S130 - (0)1 - / - / 1 0
213B0VM8310 38% 0.65 PF02962 2 - (0)? - / - / - 0
214B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
215B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
216B0VT9621 95% 0.65 PF00378 26 - (0)1 - / - / - 0
217B0VTR120 53% 0.65 PF00254 C8_S134 - (0)5 - / 3 / - 1
218B0VPT915 47% 0.65 PF01029 8 - (0)? - / - / - 0
219B0VU4210 53% 0.65 PF00313 9 - (0)? - / - / - 0
220B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
221B0VSA315 47% 0.65 PF02590 C2_S111 - (0)2 - / 2 / - 1
222B0VLP919 51% 0.64 PF00588 C3_S135 - (0)6 - / 11 / 1 1
223B0VSG416 36% 0.64 PF00106 C1_S1134 - (88)5 3 / - / - 0
224B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
225B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
226B0VNB68 40% 0.64 PF01037 16 - (0)? - / - / - 0
227B0VT839 38% 0.64 PF02919 25 - (0)? - / - / - 0
228B0VV663 98% 0.64 PF01532 0 - (0)? - / - / - 0
229B0VMN817 65% 0.64 PF00069 C1_S133 - (24)2 - / 3 / - 0
230B0VMY913 36% 0.64 PF07238 11 - (0)? - / - / - 0
231B0VLV319 43% 0.64 PF01121 C2_S120 - (14)8 2 / 3 / 2 0
232B0VR4120 63% 0.64 PF04055 C3_S197 - (11)3 - / - / 6 0
233B0VSR220 99% 0.64 PF00561 C1_S133 - (12)1 2 / - / - 1
234B0VV8321 68% 0.64 PF00216 C2_S150 - (0)2 4 / 6 / 1 0
235B0VKT733 45% 0.64 PF01081 C1_S129 - (28)4 - / - / 8 2
236B0VR0615 43% 0.64 PF01022 0 - (0)? - / - / - 0
237B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
238B0VS557 36% 0.64 PF00239 5 - (0)? - / - / - 0
239B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
240B0VMV66 35% 0.64 PF01336 4 - (0)? - / - / - 0
241B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
242B0VN7413 65% 0.64 PF00436 C2_S111 - (0)1 - / - / 1 0
243B0VTL56 44% 0.64 PF02618 2 - (0)? - / - / - 0
244B0VV2213 61% 0.64 PF00815 C4_S115 - (9)6 - / 2 / 4 2
245B0VNK318 60% 0.64 PF00231 2 - (0)? - / - / - 0
246B0VTC215 32% 0.64 PF01370 16 - (0)? - / - / - 0
247B0VLE338 38% 0.64 PF01177 C3_S142 - (34)8 2 / - / 25 3
248B0VNV912 41% 0.64 PF07743 4 - (0)? - / - / - 0
249B0VQT216 65% 0.64 PF00410 2 - (0)? - / - / - 0
250B0VMP114 44% 0.64 PF00440 53 - (0)? - / - / - 0

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