Project name: 168dcf51dbf1768

Status: done

Started: 2026-05-26 12:02:46
Settings
Chain sequence(s) A: AKHLFTSSESVSEGHPDKIADQISDAVLDAILEQDPKARVACETYVKTGMVMVGGEITTSAWVDIEEITRKTVREIGYTHSDMGFDANSCAVLNAIGKQSPDINQGVDRADPLEQGAGDQGIMFGYATNETEVLMPAPITYAHRLMQRQAEVRKNGTLPWLRPDAKSQVTFQYDDGKIVGIDAVVLSTQHSEDISQKDLQEAVMEEIIKPVLPAEWLSKDTKYFINPTGRFVIGGPMGDCGLTGRKIIVDTYGGAARHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQVVSYAIGVAEPTSIMVETFGTEKVSEELLIELVREFFDLRPYGLIKMLDLLRPIYQETAAYGHFGREHFPWEKTDKAALLRDAAGLH
D: AKHLFTSSESVSEGHPDKIADQISDAVLDAILEQDPKARVACETYVVKTGMVMVGGEITTSAWVDIEEITRKTVREIGYTHSDMGFDANNSCAVLNAIGKQSPDINQGVDRADPLEQGAGDQGIMFGYATNETEVLMPAPITYAHRLMQRQAEVRKNGTLPWLRPDAKSQVTFQYDDGKIVGIDAVVLSTQHSSEDISQKDLQEAVMEEIIKPVLPAEWLSKDTKKYFINPTGRFVIGGPMGDCGLTGRKIIVDTYGGAARHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQVVSYAIGVAEPTSIMMVETFGTEKVSEELLIELVREFFDLRPYGLIKMLDLLRPIYQEETAAYGHFGREHFPWEKTDKAALLRDAAGLH
input PDB
Selected Chain(s) A,D
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                                          (00:10:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:11)
Show buried residues

Minimal score value
-3.7972
Maximal score value
0.7816
Average score
-0.7382
Total score value
-565.4821

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
2 A A -2.4377
3 K A -3.1823
4 H A -2.1795
5 L A -0.4248
6 F A 0.0000
7 T A 0.0000
8 S A 0.0000
9 E A -0.2132
10 S A 0.0000
11 V A 0.0000
12 S A 0.0000
13 E A 0.0000
14 G A 0.0000
15 H A 0.0000
16 P A 0.0000
17 D A 0.0000
18 K A 0.0000
19 I A 0.0000
20 A A 0.0000
21 D A 0.0000
22 Q A 0.0000
23 I A 0.0000
24 S A 0.0000
25 D A 0.0000
26 A A -0.5032
27 V A 0.0000
28 L A 0.0000
29 D A -1.2010
30 A A -0.9683
31 I A 0.0000
32 L A 0.0000
33 E A -2.7688
34 Q A -2.3415
35 D A -1.8929
36 P A -1.8856
37 K A -2.1868
38 A A 0.0000
39 R A 0.0000
40 V A 0.0000
41 A A -0.4327
42 C A 0.0000
43 E A 0.0000
44 T A 0.0000
45 Y A 0.0000
46 V A 0.0000
47 K A 0.0000
48 T A -0.2649
49 G A -0.2352
50 M A 0.1922
51 V A 0.0000
52 M A 0.0000
53 V A 0.0000
54 G A 0.0000
55 G A 0.0000
56 E A 0.0000
57 I A -0.4872
58 T A -0.8610
59 T A -0.6840
60 S A -0.4057
61 A A -0.4903
62 W A 0.7740
63 V A -0.4243
64 D A -1.6477
65 I A 0.0000
66 E A -2.5216
67 E A -2.6598
68 I A -1.6481
69 T A 0.0000
70 R A -2.3364
71 K A -2.7196
72 T A -1.6406
73 V A 0.0000
74 R A -2.4163
75 E A -2.7063
76 I A 0.0000
77 G A -1.5122
78 Y A 0.0000
79 T A -1.6870
80 H A -2.0567
81 S A -1.8005
82 D A -2.3581
83 M A -1.2366
84 G A -0.7651
85 F A 0.0000
86 D A -1.6020
87 A A 0.0000
88 N A -2.1161
89 S A -1.0997
90 C A 0.0000
91 A A -0.2545
92 V A -0.2354
93 L A 0.0930
94 N A -0.9686
95 A A -0.2258
96 I A -0.2953
97 G A -1.0884
98 K A -1.8652
99 Q A -1.1723
100 S A 0.0000
101 P A -0.7528
102 D A 0.0000
103 I A -0.4671
104 N A -1.0107
105 Q A -1.4496
106 G A 0.0000
107 V A 0.0000
108 D A -1.9815
109 R A -2.1011
110 A A -1.4560
111 D A -2.0057
112 P A -1.1723
113 L A -0.3009
114 E A -1.8627
115 Q A -1.5043
116 G A 0.0000
117 A A 0.0000
118 G A 0.0000
119 D A -0.2979
120 Q A 0.0000
121 G A 0.0000
122 I A 0.0000
123 M A 0.0000
124 F A 0.0000
125 G A 0.0000
126 Y A 0.0000
127 A A 0.0000
128 T A 0.0000
129 N A -2.3744
130 E A -2.2049
131 T A -1.4859
132 E A -1.9892
133 V A -0.9132
134 L A -1.0646
135 M A 0.0000
136 P A 0.0000
137 A A 0.0000
138 P A 0.0000
139 I A 0.0000
140 T A -0.2177
141 Y A -0.2737
142 A A 0.0000
143 H A 0.0000
144 R A -1.2723
145 L A 0.0000
146 M A 0.0000
147 Q A -1.3812
148 R A -1.4872
149 Q A 0.0000
150 A A 0.0000
151 E A -2.0972
152 V A 0.0000
153 R A -1.9446
154 K A -3.0841
155 N A -2.6233
156 G A -1.8709
157 T A -1.2229
158 L A 0.0000
159 P A -0.9539
160 W A -0.6480
161 L A 0.0000
162 R A 0.0000
163 P A 0.0000
164 D A 0.0000
165 A A 0.0000
166 K A -0.2334
167 S A 0.0000
168 Q A 0.0000
169 V A 0.0000
170 T A 0.0000
171 F A 0.0000
172 Q A -0.7135
173 Y A 0.0000
174 D A -2.8913
175 D A -3.2432
176 G A -2.7058
177 K A -2.7394
178 I A -0.9631
179 V A -0.1432
180 G A -0.2640
181 I A 0.0000
182 D A -0.8507
183 A A 0.0000
184 V A 0.0000
185 V A 0.0000
186 L A 0.0000
187 S A 0.0000
188 T A 0.0000
189 Q A 0.0000
190 H A 0.0000
191 S A -1.5456
192 E A -2.8889
193 D A -2.6394
194 I A -2.1558
195 S A -2.5845
196 Q A -3.4820
197 K A -3.7972
198 D A -3.7312
199 L A 0.0000
200 Q A -3.0656
201 E A -3.7907
202 A A -2.7746
203 V A 0.0000
204 M A -2.2043
205 E A -2.9911
206 E A -2.1495
207 I A 0.0000
208 I A 0.0000
209 K A -1.9968
210 P A -1.3853
211 V A -0.9004
212 L A 0.0000
213 P A -0.7031
214 A A -1.0089
215 E A -1.5124
216 W A -0.5486
217 L A -1.1789
218 S A -1.9727
219 K A -2.7837
220 D A -2.8786
221 T A -1.7898
222 K A -1.5358
223 Y A -0.2247
224 F A 0.2133
225 I A 0.0000
226 N A 0.0000
227 P A -0.1293
228 T A -0.4395
229 G A -0.8912
230 R A -0.9602
231 F A -0.2230
232 V A -0.5385
233 I A -0.0637
234 G A 0.0000
235 G A 0.0000
236 P A 0.0000
237 M A -0.3852
238 G A -0.7678
239 D A -1.6577
240 C A 0.0000
241 G A 0.0000
242 L A 0.0000
243 T A 0.0000
244 G A 0.0000
245 R A 0.0000
246 K A -0.2513
247 I A 0.0000
248 I A 0.0000
249 V A 0.0000
250 D A 0.0000
251 T A 0.0000
252 Y A 0.0000
253 G A 0.0000
254 G A 0.0000
255 A A -0.0963
256 A A 0.0000
257 R A -0.3612
258 H A 0.0000
259 G A 0.0000
260 G A -0.2570
261 G A -0.2540
262 A A 0.0000
263 F A 0.0000
264 S A 0.0000
265 G A 0.0000
266 K A -0.2281
267 D A 0.0000
268 P A 0.0000
269 S A 0.0000
270 K A -0.4001
271 V A 0.0000
272 D A -0.3646
273 R A 0.0000
274 S A 0.0000
275 A A 0.0000
276 A A 0.0000
277 Y A 0.0000
278 A A 0.0000
279 A A 0.0000
280 R A 0.0000
281 Y A 0.0000
282 V A 0.0000
283 A A 0.0000
284 K A 0.0000
285 N A 0.0000
286 I A 0.0000
287 V A 0.0000
288 A A -1.0853
289 A A 0.0000
290 G A -1.4921
291 L A 0.0000
292 A A 0.0000
293 D A -2.0112
294 R A -1.5389
295 C A 0.0000
296 E A 0.0000
297 I A 0.0000
298 Q A 0.0000
299 V A 0.0000
300 S A 0.0000
301 Y A 0.0000
302 A A 0.0000
303 I A 0.0000
304 G A 0.0000
305 V A -0.5833
306 A A 0.0000
307 E A -2.2035
308 P A -0.9392
309 T A 0.0000
310 S A 0.0000
311 I A 0.0786
312 M A 0.0000
313 V A 0.0000
314 E A -0.6688
315 T A 0.0000
316 F A -0.0086
317 G A -0.8845
318 T A -1.1913
319 E A -1.9474
320 K A -2.2075
321 V A -1.3138
322 S A -1.3718
323 E A -2.0740
324 E A -2.5041
325 L A -1.4327
326 L A 0.0000
327 I A -1.8378
328 E A -3.1070
329 L A 0.0000
330 V A 0.0000
331 R A -3.3140
332 E A -3.1149
333 F A -1.3752
334 F A 0.0000
335 D A -2.0589
336 L A 0.0000
337 R A -1.2758
338 P A 0.0000
339 Y A -0.3891
340 G A 0.0000
341 L A 0.0000
342 I A 0.0000
343 K A -2.2335
344 M A -1.2963
345 L A 0.0000
346 D A -2.3207
347 L A 0.0000
348 L A -1.3336
349 R A -1.5965
350 P A -1.2447
351 I A -0.7935
352 Y A 0.0000
353 Q A -1.2333
354 E A -1.9903
355 T A 0.0000
356 A A 0.0000
357 A A 0.0000
358 Y A 0.0000
359 G A 0.0000
360 H A 0.0000
361 F A 0.0000
362 G A -0.8609
363 R A -1.6940
364 E A -2.6720
365 H A -2.2875
366 F A 0.0000
367 P A -1.4736
368 W A 0.0000
369 E A 0.0000
370 K A -2.4848
371 T A -1.5274
372 D A -1.8044
373 K A -0.9408
374 A A 0.0000
375 A A -0.8767
376 L A -0.2666
377 L A 0.0000
378 R A -1.9957
379 D A -2.0487
380 A A -0.9916
381 A A 0.0000
382 G A -0.9897
383 L A 0.2418
384 H A -0.5376
2 A D -2.0732
3 K D -3.0147
4 H D -2.0048
5 L D -0.3314
6 F D 0.0000
7 T D 0.0000
8 S D 0.0000
9 E D -0.2196
10 S D 0.0000
11 V D 0.0000
12 S D 0.0000
13 E D -0.5275
14 G D 0.0000
15 H D 0.0000
16 P D 0.0000
17 D D 0.0000
18 K D 0.0000
19 I D 0.0000
20 A D 0.0000
21 D D 0.0000
22 Q D -0.6778
23 I D 0.0000
24 S D 0.0000
25 D D 0.0000
26 A D 0.0000
27 V D 0.0000
28 L D 0.0000
29 D D 0.0000
30 A D -0.8519
31 I D 0.0000
32 L D 0.0000
33 E D -2.6917
34 Q D -2.2200
35 D D -1.7735
36 P D -1.9954
37 K D -1.9724
38 A D 0.0000
39 R D -0.9802
40 V D 0.0000
41 A D -0.4974
42 C D 0.0000
43 E D 0.0000
44 T D 0.0000
45 Y D 0.0000
46 V D 0.0000
47 K D 0.0000
48 T D -0.2513
49 G D -0.2497
50 M D 0.1957
51 V D 0.0000
52 M D 0.0000
53 V D 0.0000
54 G D 0.0000
55 G D 0.0000
56 E D 0.0000
57 I D -0.5326
58 T D -0.9558
59 T D -0.7460
60 S D -0.4257
61 A D -0.4764
62 W D 0.7816
63 V D -0.4635
64 D D -1.7382
65 I D 0.0000
66 E D -2.7509
67 E D -3.0731
68 I D -1.9495
69 T D 0.0000
70 R D -2.7450
71 K D -3.2426
72 T D -2.1328
73 V D 0.0000
74 R D -3.1042
75 E D -3.1102
76 I D 0.0000
77 G D -1.8339
78 Y D 0.0000
79 T D -1.7315
80 H D -1.8798
81 S D -1.6823
82 D D -2.3368
83 M D -1.2768
84 G D -0.7948
85 F D 0.0000
86 D D -1.6014
87 A D 0.0000
88 N D -2.0667
89 S D -0.9663
90 C D 0.0000
91 A D -0.2277
92 V D -0.2775
93 L D 0.1515
94 N D -0.9321
95 A D -0.1967
96 I D -0.2507
97 G D -1.0774
98 K D -1.8869
99 Q D -1.2110
100 S D 0.0000
101 P D -0.6196
102 D D 0.0000
103 I D -0.4648
104 N D -1.0001
105 Q D -1.3912
106 G D 0.0000
107 V D 0.0000
108 D D -1.9206
109 R D -2.1697
110 A D -1.5762
111 D D -2.2911
112 P D -1.2652
113 L D -0.3261
114 E D -1.8645
115 Q D -1.4443
116 G D 0.0000
117 A D 0.0000
118 G D 0.0000
119 D D -0.3550
120 Q D 0.0000
121 G D 0.0000
122 I D 0.0000
123 M D 0.0000
124 F D 0.0000
125 G D 0.0000
126 Y D 0.0000
127 A D 0.0000
128 T D 0.0000
129 N D -2.3297
130 E D -2.1777
131 T D -1.5229
132 E D -2.0982
133 V D -1.4334
134 L D -1.1654
135 M D 0.0000
136 P D 0.0000
137 A D 0.0000
138 P D 0.0000
139 I D 0.0000
140 T D -0.1922
141 Y D -0.3037
142 A D 0.0000
143 H D 0.0000
144 R D -1.3796
145 L D 0.0000
146 M D 0.0000
147 Q D -1.7053
148 R D -1.8460
149 Q D 0.0000
150 A D 0.0000
151 E D -2.6066
152 V D 0.0000
153 R D -2.2101
154 K D -3.2944
155 N D -2.7593
156 G D -1.9318
157 T D -1.2955
158 L D 0.0000
159 P D -1.0402
160 W D -0.7430
161 L D 0.0000
162 R D -0.7000
163 P D 0.0000
164 D D 0.0000
165 A D 0.0000
166 K D -0.2660
167 S D 0.0000
168 Q D 0.0000
169 V D 0.0000
170 T D 0.0000
171 F D 0.0000
172 Q D -0.7475
173 Y D 0.0000
174 D D -2.7758
175 D D -3.1748
176 G D -2.6483
177 K D -2.7305
178 I D -1.0365
179 V D -0.3611
180 G D 0.0000
181 I D 0.0000
182 D D -0.8692
183 A D 0.0000
184 V D 0.0000
185 V D 0.0000
186 L D 0.0000
187 S D 0.0000
188 T D 0.0000
189 Q D 0.0000
190 H D 0.0000
191 S D -1.6796
192 E D -2.8772
193 D D -2.6269
194 I D -2.1151
195 S D -2.5337
196 Q D -3.4022
197 K D -3.7661
198 D D -3.7199
199 L D 0.0000
200 Q D -3.0226
201 E D -3.7890
202 A D -2.6326
203 V D 0.0000
204 M D -2.2552
205 E D -3.0429
206 E D -2.0800
207 I D 0.0000
208 I D 0.0000
209 K D -2.1585
210 P D -1.4663
211 V D -0.9833
212 L D 0.0000
213 P D -0.7125
214 A D -1.0408
215 E D -1.5369
216 W D -0.5928
217 L D -1.2205
218 S D -1.9679
219 K D -2.7925
220 D D -2.8784
221 T D -1.8398
222 K D -1.5290
223 Y D -0.2344
224 F D 0.2225
225 I D 0.0000
226 N D 0.0000
227 P D -0.1492
228 T D 0.0000
229 G D -0.8637
230 R D -0.9048
231 F D -0.2359
232 V D -0.6014
233 I D -0.1353
234 G D 0.0000
235 G D 0.0000
236 P D 0.0000
237 M D -0.3620
238 G D -0.6977
239 D D -1.4611
240 C D 0.0000
241 G D 0.0000
242 L D 0.0000
243 T D 0.0000
244 G D 0.0000
245 R D 0.0000
246 K D -0.2561
247 I D 0.0000
248 I D 0.0000
249 V D 0.0000
250 D D 0.0000
251 T D 0.0000
252 Y D 0.0000
253 G D 0.0000
254 G D 0.0000
255 A D -0.0927
256 A D 0.0000
257 R D -0.3839
258 H D 0.0000
259 G D 0.0000
260 G D -0.2636
261 G D -0.2574
262 A D 0.0000
263 F D 0.0000
264 S D 0.0000
265 G D 0.0000
266 K D -0.2641
267 D D 0.0000
268 P D 0.0000
269 S D 0.0000
270 K D -0.4258
271 V D 0.0000
272 D D -0.3769
273 R D 0.0000
274 S D 0.0000
275 A D 0.0000
276 A D 0.0000
277 Y D 0.0000
278 A D 0.0000
279 A D 0.0000
280 R D 0.0000
281 Y D 0.0000
282 V D 0.0000
283 A D 0.0000
284 K D 0.0000
285 N D 0.0000
286 I D 0.0000
287 V D 0.0000
288 A D -1.0134
289 A D 0.0000
290 G D -1.0217
291 L D 0.0000
292 A D 0.0000
293 D D -1.9110
294 R D -1.5333
295 C D 0.0000
296 E D 0.0000
297 I D 0.0000
298 Q D 0.0000
299 V D 0.0000
300 S D 0.0000
301 Y D 0.0000
302 A D 0.0000
303 I D 0.0000
304 G D 0.0000
305 V D -0.5536
306 A D 0.0000
307 E D -2.1538
308 P D -0.9102
309 T D -0.4898
310 S D 0.0000
311 I D 0.0192
312 M D 0.0000
313 V D 0.0000
314 E D -0.7704
315 T D 0.0000
316 F D -0.0280
317 G D -0.9338
318 T D -1.1789
319 E D -1.9615
320 K D -2.1655
321 V D -1.2895
322 S D -1.5401
323 E D -2.3574
324 E D -2.5804
325 L D -1.1646
326 L D 0.0000
327 I D -1.9121
328 E D -3.0602
329 L D 0.0000
330 V D 0.0000
331 R D -3.3908
332 E D -3.2161
333 F D -1.5314
334 F D 0.0000
335 D D -2.3366
336 L D 0.0000
337 R D -1.2683
338 P D 0.0000
339 Y D -0.2401
340 G D 0.0000
341 L D 0.0000
342 I D -1.2641
343 K D -2.1236
344 M D -1.2867
345 L D 0.0000
346 D D -2.5687
347 L D 0.0000
348 L D -1.6487
349 R D -2.2502
350 P D -1.5472
351 I D -0.8377
352 Y D 0.0000
353 Q D -1.5605
354 E D -1.4449
355 T D 0.0000
356 A D 0.0000
357 A D 0.0000
358 Y D -0.4423
359 G D 0.0000
360 H D 0.0000
361 F D 0.0000
362 G D -0.9958
363 R D -1.7302
364 E D -2.8001
365 H D -2.2808
366 F D 0.0000
367 P D -1.6054
368 W D 0.0000
369 E D 0.0000
370 K D -2.5985
371 T D -1.8492
372 D D -2.1413
373 K D -0.9743
374 A D -0.8794
375 A D -0.4960
376 L D 0.0861
377 L D 0.0000
378 R D -1.3378
379 D D -1.9255
380 A D -0.9982
381 A D -1.1037
382 G D -1.2089
383 L D -1.2171
384 H D -1.3916
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Laboratory of Theory of Biopolymers 2018