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]
100B0VR2216 51% 0.50 PF05958 C1_S124 - (0)3 3 / - / 1 1
101B0VSG416 36% 0.64 PF00106 C1_S1134 - (88)5 3 / - / - 0
102B0VQB119 31% 0.48 PF02771 C1_S135 - (29)3 3 / - / - 0
103B0VRT120 40% 0.61 PF01126 C6_S126 - (0)4 3 / - / - 1
104B0VL3719 49% 0.55 PF00248 C4_S127 - (0)2 3 / - / - 1
105B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
106B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
107B0VVC931 43% 0.44 PF00145 C4_S1125 - (38)5 2 / 26 / 5 0
108B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
109B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
110B0VTF120 67% 0.62 PF01656 C1_S160 - (58)7 2 / 10 / 1 0
111B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
112B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
113B0VUG120 39% ? PF00512 C2_S141 - (36)8 2 / 6 / - 0
114B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
115B0VRD623 33% 0.53 PF02771 C3_S139 - (32)5 2 / 5 / 1 2
116B0VPB720 37% 0.63 PF00977 C1_S140 - (1)9 2 / 4 / 4 1
117B0VLV319 43% 0.64 PF01121 C2_S120 - (14)8 2 / 3 / 2 0
118B0VTP220 60% 0.54 PF00271 C3_S120 - (0)3 2 / 3 / 1 0
119B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
120B0VKK912 34% 0.40 PF00106 C1_S177 - (60)6 2 / 2 / - 0
121B0VV7626 43% 0.52 PF14748 C3_S123 - (17)8 2 / 1 / 7 0
122B0VLC218 64% 0.56 PF00575 C2_S111 - (0)2 2 / 1 / 6 1
123B0VNX023 35% 0.48 PF02771 C2_S140 - (36)5 2 / 1 / 2 2
124B0VL1319 29% 0.49 PF00743 C1_S186 - (69)3 2 / 1 / - 0
125B0VRD720 29% 0.46 PF02771 C2_S133 - (27)3 2 / 1 / - 0
126B0VLE338 38% 0.64 PF01177 C3_S142 - (34)8 2 / - / 25 3
127B0VKB126 40% 0.61 PF00271 C2_S170 - (0)7 2 / - / 6 1
128B0VT9717 38% 0.62 PF01467 C5_S144 - (43)2 2 / - / 5 0
129B0VND026 37% 0.52 PF01070 C2_S160 - (37)8 2 / - / 5 1
130B0VL8917 67% 0.47 PF01396 C1_S110 - (0)6 2 / - / 4 2
131B0VU9519 45% 0.47 PF01479 C4_S115 - (0)6 2 / - / 4 0
132B0VLL617 36% 0.46 PF01568 C3_S152 - (0)3 2 / - / 3 0
133B0VM1420 67% 0.35 PF00115 C1_S157 - (0)3 2 / - / 2 0
134B0VL1412 37% 0.58 PF00106 C1_S1125 - (99)3 2 / - / 1 0
135B0VNC717 34% 0.50 PF02272 C7_S111 - (0)4 2 / - / 1 1
136B0VPS020 40% 0.46 PF00175 C1_S167 - (45)4 2 / - / 1 0
137B0VM3216 63% 0.46 PF01613 C3_S174 - (0)2 2 / - / 1 1
138B0VVG922 51% 0.49 PF06628 C8_S16 - (1)2 2 / - / - 1
139B0VUA320 35% 0.54 PF02525 C2_S1219 - (110)3 2 / - / - 0
140B0VSR220 99% 0.64 PF00561 C1_S133 - (12)1 2 / - / - 1
141B0VRH216 40% 0.46 PF13673 C1_S150 - (28)2 2 / - / - 0
142B0VLL215 71% 0.50 PF13932 C5_S112 - (0)2 2 / - / - 1
143B0VL8617 41% 0.44 PF13361 C2_S116 - (0)2 2 / - / - 0
144B0VQK319 49% 0.47 PF02774 C1_S141 - (22)3 2 / - / - 0
145B0VUV320 32% 0.46 PF02852 C3_S141 - (36)2 2 / - / - 0
146B0VPC818 50% ? PF00512 C3_S134 - (29)1 2 / - / - 1
147B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
148B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
149B0VLG622 88% 0.45 PF10431 C2_S120 - (0)6 1 / 12 / - 3
150B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4

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