Project name: TecA

Status: done

Started: 2026-07-24 14:38:02
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Chain sequence(s) A: QLGGHVAQSGIAERQKHAQALMFGMANIDEYVSRGVCYDAAAYVRYLLRADALIAPDALLDTAGQSWRTRFNFETGDQWDGRASIPAGTAVGFARGGNVFHAAIAVGGTRIRAINGGLLGAGWMNPVDLARALQPDPAGGFTYDRTTIRVHLSRL
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)
Show buried residues

Minimal score value
-3.0555
Maximal score value
1.7911
Average score
-0.8248
Total score value
-127.8431

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
66 Q A -1.4993
67 L A -0.7687
68 G A 0.0000
69 G A -1.0292
70 H A -1.6327
71 V A 0.0000
72 A A -1.1557
73 Q A -1.7301
74 S A -1.1850
75 G A -0.5267
76 I A -0.1997
77 A A -0.7617
78 E A -1.8247
79 R A -1.8861
80 Q A -2.1287
81 K A -2.7265
82 H A -1.6143
83 A A 0.0000
84 Q A -1.1660
85 A A -0.2652
86 L A 0.0000
87 M A 0.0000
88 F A 1.7911
89 G A 1.0462
90 M A 1.3828
91 A A 0.0128
92 N A -0.8283
93 I A 0.0000
94 D A -3.0555
95 E A -2.7591
96 Y A -1.8439
97 V A -1.5958
98 S A -1.9679
99 R A -2.1838
100 G A -1.6438
101 V A -1.0743
102 C A 0.0000
103 Y A 0.0000
104 D A -0.4095
105 A A 0.0000
106 A A 0.0000
107 A A 0.0000
108 Y A 0.0000
109 V A 0.0000
110 R A 0.0000
111 Y A 0.0000
112 L A 0.0000
113 L A -0.9404
114 R A -1.0748
115 A A -0.9129
116 D A -1.7606
117 A A -0.5918
118 L A -0.1454
119 I A 0.0000
120 A A -0.4318
121 P A -1.0576
122 D A -1.7530
123 A A -0.9309
124 L A -0.1744
125 L A 0.0903
126 D A -1.4686
127 T A 0.0000
128 A A -0.7322
129 G A 0.0000
130 Q A -1.4724
131 S A -1.3431
132 W A 0.0000
133 R A -1.5701
134 T A -1.2132
135 R A -1.4334
136 F A 0.0000
137 N A -1.4296
138 F A 0.0000
139 E A -2.0766
140 T A -1.4692
141 G A -2.1074
142 D A -2.9136
143 Q A -2.5497
144 W A 0.0000
145 D A -2.3183
146 G A -2.1794
147 R A -2.2462
148 A A -1.3302
149 S A -1.1437
150 I A 0.0000
151 P A -0.4668
152 A A -0.3800
153 G A 0.0000
154 T A -0.2813
155 A A 0.0000
156 V A 0.0000
157 G A 0.0000
158 F A 0.0000
159 A A 0.0000
160 R A -2.4970
161 G A -1.8674
162 G A -1.8811
163 N A -2.2456
164 V A 0.0000
165 F A -0.6488
166 H A 0.0000
167 A A 0.0000
168 A A 0.0000
169 I A 0.0000
170 A A 0.0000
171 V A -0.1607
172 G A -0.4642
173 G A -1.1180
174 T A -1.6605
175 R A -1.9066
176 I A 0.0000
177 R A 0.0000
178 A A 0.0000
179 I A 0.0000
180 N A -1.2009
181 G A -0.3971
182 G A -0.2778
183 L A 0.9102
184 L A 0.0000
185 G A 0.0000
186 A A -0.3707
187 G A -0.5790
188 W A 0.0000
189 M A 0.6591
190 N A -0.8458
191 P A -0.6039
192 V A -0.7594
193 D A -1.6535
194 L A 0.0000
195 A A -2.1375
196 R A -2.3828
197 A A -1.1387
198 L A 0.0000
199 Q A -1.8128
200 P A -1.4065
201 D A -1.1422
202 P A -0.7351
203 A A -0.4255
204 G A -0.9236
205 G A -1.5284
206 F A 0.0000
207 T A -1.6691
208 Y A 0.0000
209 D A -2.5708
210 R A -2.7509
211 T A -1.9397
212 T A -1.7531
213 I A 0.0000
214 R A -2.2222
215 V A 0.0000
216 H A 0.0000
217 L A -1.4072
218 S A 0.0000
219 R A -2.2538
220 L A -1.0369
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Laboratory of Theory of Biopolymers 2018