Project name: 779642f3f8566f4

Status: done

Started: 2025-02-25 15:44:43
Settings
Chain sequence(s) A: LVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
B: LVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
input PDB
Selected Chain(s) A,B
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 all 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                                          (00:10:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:42)
Show buried residues

Minimal score value
-4.3965
Maximal score value
1.6023
Average score
-0.6444
Total score value
-469.1021

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
14 L A 1.6023
15 V A 1.2674
16 P A 0.0000
17 V A 0.0000
18 Y A 0.0000
19 I A 0.0000
20 Y A -0.5463
21 S A 0.0000
22 P A -0.9989
23 E A -1.7347
24 Y A 0.0000
25 V A -0.5303
26 S A -0.8506
27 M A 0.0000
28 C A 0.0000
29 D A -1.0195
30 S A -0.8227
31 L A 0.0000
32 A A -1.0388
33 K A -1.8101
34 I A -0.9327
35 P A -1.0657
36 K A -1.4885
37 R A -0.6879
38 A A -0.4030
39 S A -0.5712
40 M A 0.0000
41 V A 0.0000
42 H A 0.0000
43 S A -0.7748
44 L A 0.0000
45 I A 0.0000
46 E A -1.5039
47 A A -1.0853
48 Y A -0.8347
49 A A -1.0816
50 L A 0.0000
51 H A -1.7445
52 K A -2.4987
53 Q A -1.5523
54 M A 0.0000
55 R A -1.4269
56 I A -0.7047
57 V A -0.8382
58 K A -1.8146
59 P A 0.0000
60 K A -0.6058
61 V A 0.9168
62 A A 0.0000
63 S A -0.2999
64 M A -0.8951
65 E A -1.9874
66 E A -0.7839
67 M A 0.0000
68 A A -1.2545
69 T A -0.7485
70 F A -0.7770
71 H A 0.0000
72 T A -1.8027
73 D A -2.5498
74 A A -1.5410
75 Y A 0.0000
76 L A 0.0000
77 Q A -1.9198
78 H A 0.0000
79 L A 0.0000
80 Q A -1.4306
81 K A -2.1462
82 V A 0.0000
83 S A 0.0000
84 Q A -2.0441
85 E A -3.2786
86 G A -3.2890
87 D A -3.7955
88 D A -3.7895
89 D A -3.6709
90 H A -2.5723
91 P A -1.4376
92 D A -1.2932
93 S A -1.1117
94 I A 0.5773
95 E A -1.3541
96 Y A -1.0564
97 G A -0.4177
98 L A 0.0000
99 G A 0.0361
100 Y A 1.0672
101 D A -0.0387
102 C A 0.0000
103 P A -0.6038
104 A A -1.1500
105 T A -1.6394
106 E A -1.5471
107 G A 0.0000
108 I A 0.0000
109 F A -0.5431
110 D A -0.4532
111 Y A 0.0000
112 A A 0.0000
113 A A 0.0000
114 A A 0.0000
115 I A 0.0000
116 G A 0.0000
117 G A 0.0000
118 A A 0.0000
119 T A 0.0000
120 I A 0.0000
121 T A -0.3883
122 A A 0.0000
123 A A 0.0000
124 Q A -1.1585
125 C A 0.0000
126 L A 0.0000
127 I A -1.8393
128 D A -2.1915
129 G A -1.1592
130 M A -0.3447
131 C A 0.0000
132 K A -1.0045
133 V A -0.0388
134 A A 0.0000
135 I A 0.0000
136 N A 0.0000
137 W A 0.0000
138 S A -0.0191
139 G A 0.0000
140 G A 0.0000
141 W A 0.0000
142 H A 0.0000
143 H A 0.0000
144 A A 0.0000
145 K A -1.9261
146 K A -2.6672
147 D A -2.3145
148 E A -1.6470
149 A A 0.0000
150 S A -0.2336
151 G A 0.1506
152 F A 0.3990
153 C A 0.0000
154 Y A 0.0000
155 L A 0.0000
156 N A 0.0000
157 D A 0.0000
158 A A 0.0000
159 V A 0.0000
160 L A 0.0000
161 G A 0.0000
162 I A 0.0000
163 L A -0.6182
164 R A -1.2041
165 L A 0.0000
166 R A -2.9135
167 R A -3.2967
168 K A -3.4854
169 F A -2.5311
170 E A -3.1427
171 R A -2.2716
172 I A 0.0000
173 L A 0.0000
174 Y A 0.0000
175 V A 0.0000
176 D A 0.0000
177 L A 0.0000
178 D A 0.0000
179 L A 0.0000
180 H A 0.0000
181 H A 0.0000
182 G A 0.0000
183 D A -0.8990
184 G A 0.0000
185 V A 0.0000
186 E A -0.9967
187 D A -1.7598
188 A A -0.9281
189 F A 0.0000
190 S A 0.0000
191 F A 0.8793
192 T A -0.2488
193 S A -0.3961
194 K A -1.6153
195 V A 0.0000
196 M A 0.0000
197 T A 0.0000
198 V A 0.0000
199 S A 0.0000
200 L A 0.0000
201 H A 0.0000
202 K A -0.0810
203 F A 0.1067
204 S A -0.1638
205 P A -0.3500
206 G A -0.3495
207 F A 0.2313
208 F A 0.5813
209 P A 0.1394
210 G A -0.3723
211 T A -0.4806
212 G A 0.0000
213 D A -0.9609
214 V A -0.4816
215 S A -0.6853
216 D A -1.2083
217 V A 0.0000
218 G A 0.0000
219 L A 0.0453
220 G A -0.6219
221 K A -1.5342
222 G A 0.0000
223 R A -0.9458
224 Y A -0.5568
225 Y A -0.0927
226 S A 0.0000
227 V A 0.0000
228 N A 0.0000
229 V A 0.0000
230 P A 0.0000
231 I A 0.0000
232 Q A -1.2031
233 D A -1.1766
234 G A 0.0000
235 I A 0.0000
236 Q A -1.5450
237 D A -1.4985
238 E A -2.5244
239 K A -2.1495
240 Y A 0.0000
241 Y A -1.4782
242 Q A -2.0473
243 I A 0.0000
244 C A 0.0000
245 E A -1.6131
246 S A -1.4489
247 V A 0.0000
248 L A 0.0000
249 K A -2.3827
250 E A -2.2514
251 V A 0.0000
252 Y A -1.3669
253 Q A -1.9329
254 A A -1.1807
255 F A 0.0000
256 N A -1.1897
257 P A 0.0000
258 K A -1.4897
259 A A 0.0000
260 V A 0.0000
261 V A 0.0000
262 L A 0.0000
263 Q A 0.0000
264 L A 0.0000
265 G A 0.0000
266 A A 0.0000
267 D A 0.0000
268 T A 0.0000
269 I A 0.0000
270 A A 0.0000
271 G A -0.3924
272 D A 0.0000
273 P A 0.0432
274 M A 0.5234
275 C A 0.6093
276 S A 0.0000
277 F A 0.0000
278 N A 0.0000
279 M A 0.0000
280 T A 0.0000
281 P A 0.0000
282 V A 0.6340
283 G A 0.0000
284 I A 0.0000
285 G A 0.0000
286 K A -1.3459
287 C A 0.0000
288 L A 0.0000
289 K A -2.0331
290 Y A 0.0000
291 I A 0.0000
292 L A -1.3513
293 Q A -1.8190
294 W A -1.0918
295 Q A -1.6539
296 L A -0.8566
297 A A -0.6910
298 T A 0.0000
299 L A 0.0000
300 I A 0.0000
301 L A 0.0000
302 G A 0.0000
303 G A 0.0000
304 G A 0.0000
305 G A 0.0000
306 Y A 0.0738
307 N A -0.2993
308 L A -0.0654
309 A A 0.0000
310 N A -0.3721
311 T A 0.0000
312 A A 0.0000
313 R A 0.0000
314 C A 0.0000
315 W A 0.0000
316 T A 0.0000
317 Y A 0.2928
318 L A 0.0000
319 T A 0.0000
320 G A 0.0000
321 V A -0.2627
322 I A 0.0331
323 L A -0.0804
324 G A -0.9142
325 K A -1.0850
326 T A -0.5244
327 L A -0.4020
328 S A -0.8884
329 S A -1.1221
330 E A -2.2500
331 I A 0.0000
332 P A -1.4898
333 D A -2.1850
334 H A -1.7626
335 E A -1.9187
336 F A -0.6093
337 F A -0.3977
338 T A -0.4413
339 A A 0.0681
340 Y A 0.0000
341 G A -0.6525
342 P A -1.0646
343 D A -2.0466
344 Y A -1.1624
345 V A -1.0660
346 L A 0.0000
347 E A -1.5237
348 I A -0.4620
349 T A -0.3762
350 P A -0.3881
351 S A -0.0258
352 C A 0.2406
353 R A -0.7781
354 P A -1.4159
355 D A -2.4750
356 R A -2.9822
357 N A 0.0000
358 E A -3.3875
359 P A -2.8059
360 H A -3.2338
361 R A -3.8512
362 I A 0.0000
363 Q A -3.2562
364 Q A -3.0428
365 I A 0.0000
366 L A 0.0000
367 N A -2.1232
368 Y A -0.7375
369 I A 0.0000
370 K A -1.5629
371 G A -1.2180
372 N A -1.2183
373 L A 0.0000
374 K A -2.0403
375 H A -1.3801
376 V A -0.0759
377 V A 1.1275
14 L B 1.4464
15 V B 0.9382
16 P B 0.1547
17 V B 0.0000
18 Y B 0.0000
19 I B 0.0000
20 Y B -0.6581
21 S B 0.0000
22 P B -1.2763
23 E B -2.0862
24 Y B 0.0000
25 V B -0.7197
26 S B -1.0182
27 M B -0.8969
28 C B 0.0000
29 D B 0.0000
30 S B -1.0175
31 L B 0.0000
32 A B -1.3074
33 K B -1.7585
34 I B -1.1394
35 P B -1.2249
36 K B -1.9697
37 R B -0.9169
38 A B -0.5320
39 S B -0.8096
40 M B 0.0000
41 V B 0.0000
42 H B 0.0000
43 S B -1.0031
44 L B 0.0000
45 I B 0.0000
46 E B -1.5730
47 A B -1.1984
48 Y B -0.7417
49 A B -1.1178
50 L B 0.0000
51 H B -1.6746
52 K B -2.4400
53 Q B -1.7490
54 M B 0.0000
55 R B -1.2606
56 I B -0.7381
57 V B -0.8394
58 K B -1.9237
59 P B -1.0359
60 K B -0.6861
61 V B 0.7451
62 A B 0.0000
63 S B -0.3994
64 M B -1.0056
65 E B -2.0586
66 E B -0.8174
67 M B 0.0000
68 A B -1.3152
69 T B -0.7692
70 F B -0.8157
71 H B 0.0000
72 T B -1.7980
73 D B -2.5497
74 A B -1.5437
75 Y B 0.0000
76 L B 0.0000
77 Q B -1.9940
78 H B 0.0000
79 L B 0.0000
80 Q B -2.3260
81 K B -2.8125
82 V B 0.0000
83 S B 0.0000
84 Q B -3.4543
85 E B -4.2941
86 G B -4.0157
87 D B -4.2426
88 D B -4.3965
89 D B -3.5305
90 H B -2.4578
91 P B -1.3676
92 D B -1.3213
93 S B -1.1470
94 I B 0.3833
95 E B -1.3741
96 Y B -1.1107
97 G B -0.4264
98 L B 0.0000
99 G B 0.0680
100 Y B 0.6869
101 D B -0.1744
102 C B 0.0000
103 P B 0.0000
104 A B -1.6441
105 T B 0.0000
106 E B -3.5921
107 G B -2.1353
108 I B 0.0000
109 F B -1.4774
110 D B -1.6254
111 Y B 0.0000
112 A B 0.0000
113 A B 0.0000
114 A B 0.0000
115 I B 0.0000
116 G B 0.0000
117 G B 0.0000
118 A B 0.0000
119 T B 0.0000
120 I B 0.0000
121 T B 0.0000
122 A B 0.0000
123 A B 0.0000
124 Q B -1.1856
125 C B 0.0000
126 L B 0.0000
127 I B -1.9046
128 D B -2.2325
129 G B -1.1794
130 M B -0.4174
131 C B 0.0000
132 K B -1.0176
133 V B -0.1169
134 A B 0.0000
135 I B 0.0000
136 N B 0.0000
137 W B 0.0000
138 S B -0.0007
139 G B 0.0000
140 G B 0.0000
141 W B 0.0000
142 H B 0.0000
143 H B 0.0000
144 A B 0.0000
145 K B -1.9332
146 K B -2.6894
147 D B -2.3361
148 E B -1.7161
149 A B 0.0000
150 S B -0.2797
151 G B 0.2113
152 F B 0.4022
153 C B 0.0000
154 Y B 0.0000
155 L B 0.0000
156 N B 0.0000
157 D B 0.0000
158 A B 0.0000
159 V B 0.0000
160 L B 0.0000
161 G B 0.0000
162 I B 0.0000
163 L B -0.7024
164 R B 0.0000
165 L B 0.0000
166 R B -2.9690
167 R B -3.2159
168 K B -3.3971
169 F B -2.3221
170 E B -2.3683
171 R B -2.1557
172 I B 0.0000
173 L B 0.0000
174 Y B 0.0000
175 V B 0.0000
176 D B 0.0000
177 L B 0.0000
178 D B 0.0000
179 L B 0.0000
180 H B 0.0000
181 H B 0.0000
182 G B 0.0000
183 D B -0.8179
184 G B 0.0000
185 V B 0.0000
186 E B 0.0000
187 D B -1.6540
188 A B -0.8577
189 F B 0.0000
190 S B 0.0000
191 F B 0.8475
192 T B -0.1365
193 S B -0.5304
194 K B -1.3880
195 V B 0.0000
196 M B 0.0000
197 T B 0.0000
198 V B 0.0000
199 S B 0.0000
200 L B 0.0000
201 H B 0.0000
202 K B -0.1310
203 F B 0.1115
204 S B -0.1597
205 P B -0.2970
206 G B -0.2666
207 F B 0.3856
208 F B 0.8531
209 P B 0.3190
210 G B -0.2517
211 T B -0.3751
212 G B 0.0000
213 D B -0.9682
214 V B 0.0000
215 S B -0.6941
216 D B -1.1076
217 V B -0.4961
218 G B 0.0000
219 L B 0.0544
220 G B -0.7020
221 K B -1.6460
222 G B 0.0000
223 R B -1.3824
224 Y B -0.5566
225 Y B -0.0582
226 S B 0.0000
227 V B 0.0000
228 N B 0.0000
229 V B 0.0000
230 P B 0.0000
231 I B 0.0000
232 Q B -1.5695
233 D B -1.3339
234 G B 0.0000
235 I B 0.0000
236 Q B -1.6932
237 D B -1.6765
238 E B -2.5624
239 K B -2.0478
240 Y B 0.0000
241 Y B -1.4777
242 Q B -1.9988
243 I B 0.0000
244 C B 0.0000
245 E B -1.5819
246 S B -1.3842
247 V B 0.0000
248 L B 0.0000
249 K B -2.2896
250 E B -2.1828
251 V B 0.0000
252 Y B -1.4016
253 Q B -1.9055
254 A B -1.2224
255 F B 0.0000
256 N B -1.5327
257 P B 0.0000
258 K B -1.9946
259 A B 0.0000
260 V B 0.0000
261 V B 0.0000
262 L B 0.0000
263 Q B 0.0000
264 L B 0.0000
265 G B 0.0000
266 A B 0.0000
267 D B 0.0000
268 T B 0.0000
269 I B 0.0000
270 A B 0.0000
271 G B -0.3751
272 D B 0.0000
273 P B 0.0634
274 M B 0.5366
275 C B 0.5864
276 S B 0.0000
277 F B 0.0000
278 N B 0.0000
279 M B 0.0000
280 T B 0.0000
281 P B 0.0000
282 V B -0.2655
283 G B 0.0000
284 I B 0.0000
285 G B 0.0000
286 K B -1.1197
287 C B 0.0000
288 L B 0.0000
289 K B -1.5539
290 Y B -1.2982
291 I B 0.0000
292 L B -1.2004
293 Q B -1.6929
294 W B -1.1054
295 Q B -1.7228
296 L B -1.0675
297 A B 0.0000
298 T B 0.0000
299 L B 0.0000
300 I B 0.0000
301 L B 0.0000
302 G B 0.0000
303 G B 0.0000
304 G B 0.0000
305 G B 0.0000
306 Y B 0.1625
307 N B -0.2316
308 L B -0.1141
309 A B 0.0000
310 N B -0.2144
311 T B 0.0000
312 A B 0.0000
313 R B 0.0000
314 C B 0.0000
315 W B 0.0000
316 T B 0.0000
317 Y B 0.2547
318 L B 0.0000
319 T B 0.0000
320 G B 0.0000
321 V B -0.0888
322 I B 0.0616
323 L B -0.1609
324 G B -0.6110
325 K B -0.8719
326 T B -0.5146
327 L B 0.0000
328 S B -0.9581
329 S B -1.4398
330 E B -2.1498
331 I B 0.0000
332 P B -1.3394
333 D B -2.2465
334 H B -1.8641
335 E B -1.9898
336 F B -0.7275
337 F B -0.5712
338 T B -0.3483
339 A B 0.0142
340 Y B 0.0000
341 G B -0.7189
342 P B -1.0786
343 D B -1.9396
344 Y B -1.0427
345 V B -0.7650
346 L B 0.0000
347 E B -1.2266
348 I B -0.3562
349 T B -0.2396
350 P B -0.4649
351 S B -0.2033
352 C B 0.1246
353 R B -0.9738
354 P B -1.3965
355 D B -2.3533
356 R B -3.0407
357 N B 0.0000
358 E B -3.4890
359 P B -2.7451
360 H B -3.0388
361 R B -3.3503
362 I B 0.0000
363 Q B -2.8685
364 Q B -2.6625
365 I B 0.0000
366 L B -1.4115
367 N B -1.6690
368 Y B -0.6808
369 I B 0.0000
370 K B -1.8486
371 G B -1.3664
372 N B -1.3624
373 L B 0.0000
374 K B -2.1572
375 H B -1.5130
376 V B -0.2279
377 V B 1.1014
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Laboratory of Theory of Biopolymers 2018