Project name: 1dd2eada45842a

Status: done

Started: 2026-02-11 06:07:26
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Chain sequence(s) T: IEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQENMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLR
input PDB
Selected Chain(s) T
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with T chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:55)
Show buried residues

Minimal score value
-3.4215
Maximal score value
1.906
Average score
-1.046
Total score value
-145.4

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
122 I T 0.0925
123 E T -2.1751
124 E T -3.1257
125 Q T -2.1700
126 A T -1.9611
127 K T -3.3094
128 T T -2.6550
129 F T -1.8195
130 L T -2.0781
131 D T -3.3668
132 K T -3.3597
133 F T -2.1407
134 N T -2.2127
135 H T -3.2012
136 E T -3.3167
137 A T 0.0000
138 E T -2.0471
139 D T -2.3554
140 L T -1.3777
141 F T -0.8073
142 Y T -1.1297
143 Q T -1.1880
144 S T -1.2874
145 S T -0.4149
146 L T -0.2400
147 A T -0.9982
148 S T -0.6490
149 W T 0.0000
150 N T -1.1336
151 Y T -1.1207
152 N T -0.3203
153 T T -0.8705
154 N T -1.3927
155 I T -1.0765
156 T T -2.0610
157 E T -2.9524
158 E T -3.1915
159 N T -2.5864
160 V T -2.2422
161 Q T -3.3146
162 N T -3.2396
163 M T -2.7490
164 N T -3.2239
165 N T -3.4215
166 A T -2.5689
167 G T -2.6202
168 D T -3.2529
169 K T -2.8752
170 W T -1.3779
171 S T -1.6356
172 A T -1.8727
173 F T 0.0000
174 L T -1.3914
175 K T -2.4002
176 E T -2.5484
177 Q T -1.3967
178 S T -1.2967
179 T T -0.9952
180 L T -0.1069
181 A T -0.0776
182 Q T -0.2371
183 M T 0.9498
184 Y T 0.7367
185 P T 0.4132
186 L T 0.6711
187 Q T -0.4502
188 E T -1.1599
189 N T -1.5203
190 M T -0.8179
191 T T -0.8488
192 Q T -1.6123
193 G T -1.3877
194 F T 0.0000
195 W T -0.2827
196 E T -1.9685
197 N T -1.7533
198 S T -0.4993
199 M T -0.1993
200 L T 0.2341
201 T T -0.6662
202 D T -1.7932
203 P T -1.3848
204 G T -1.1485
205 N T -1.2656
206 V T 0.1765
207 Q T -1.0877
208 K T -1.5545
209 A T -0.6753
210 V T 0.3822
211 C T 0.1367
212 H T -0.4079
213 P T -0.3564
214 T T -0.4365
215 A T -0.8833
216 W T -0.9504
217 D T -2.2794
218 L T 0.0000
219 G T -1.8897
220 K T -2.5332
221 G T -1.8523
222 D T -1.6830
223 F T 0.0000
224 R T 0.0000
225 I T 0.0000
226 L T 0.0000
227 M T 0.0000
228 C T -0.5066
229 T T -0.4875
230 K T -0.8040
231 V T 1.1577
232 T T 0.8308
233 M T 1.2857
234 D T -0.3868
235 D T 0.1623
236 F T 1.9060
237 L T 1.0833
238 T T -0.0374
239 A T 0.1174
240 H T -0.7726
241 H T -1.2182
242 E T -1.1830
243 M T -0.8234
244 G T -1.1778
245 H T -1.5005
246 I T 0.0000
247 Q T -0.7922
248 Y T 0.5050
249 D T -0.8897
250 M T -0.4965
251 A T 0.4097
252 Y T 0.8225
253 A T -0.2245
254 A T 0.0261
255 Q T -0.3601
256 P T -0.5108
257 F T 0.2083
258 L T 0.9467
259 L T 0.6411
260 R T -0.8393
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Laboratory of Theory of Biopolymers 2018