Project name: M383E_M386E_M331E

Status: done

Started: 2026-04-21 06:19:48
Settings
Chain sequence(s) A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVSSISVGGHRTYYADSVKGRSTISRDNSKNTLYLQMNSLRAEDTAVYYCARIRVGPSGGAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEGGGSGGGSSRGQYSREDNNCTHFPVGQSHMLLELRTAFSQVKTFFQTKDQLDNILLTDSLMQDFKGYLGCQALSEMIQFYLVEVMPQAEKHGPEIKEHLNSLGEKLKTLRERLRRCHRFLPCENKSKAVEQVKSDFNKLQDQGVYKAMNEFDIFINCIEAYMEIKEKSHHHHHH
B: SELTQDPAVSVALGQTVRITCSGSNTNIGKNYVSWYQQKPGQAPVLVIYANSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCASWDASLNGWVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
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                                          (00:08:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:07)
Show buried residues

Minimal score value
-3.6693
Maximal score value
1.3574
Average score
-0.7671
Total score value
-467.1424

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
1 E A -1.9933
2 V A -0.9974
3 Q A -0.9192
4 L A 0.0000
5 L A 0.5005
6 E A 0.0000
7 S A -0.3334
8 G A -0.7571
9 G A 0.0000
10 G A -0.4393
11 L A -0.1027
12 V A 0.0000
13 Q A -1.6917
14 P A -1.7961
15 G A -1.5209
16 G A -1.1737
17 S A -1.3133
18 L A -1.0385
19 R A -1.8311
20 L A 0.0000
21 S A -0.3539
22 C A 0.0000
23 A A -0.2125
24 A A 0.0000
25 S A -0.6790
26 G A -1.1234
27 F A -0.6551
28 T A -0.5783
29 F A 0.0000
30 S A -1.2499
31 N A -1.0828
32 A A 0.0000
33 W A -0.0332
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.7697
40 A A -1.1855
41 P A -0.9717
42 G A -1.4662
43 K A -2.2612
44 G A -1.5031
45 L A 0.0000
46 E A -0.9513
47 W A 0.0000
48 V A 0.0000
49 S A 0.0000
50 S A 0.0000
51 I A 0.0000
52 S A 0.0000
53 V A -0.6552
54 G A -1.2748
55 G A -1.3833
56 H A -1.8654
57 R A -1.9762
58 T A -0.8980
59 Y A -0.7116
60 Y A -0.9103
61 A A -1.4574
62 D A -2.4770
63 S A -1.7741
64 V A 0.0000
65 K A -2.5911
66 G A -1.7816
67 R A -1.5138
68 S A 0.0000
69 T A -0.8009
70 I A 0.0000
71 S A -0.7287
72 R A -0.9972
73 D A -1.6835
74 N A -1.8885
75 S A -1.6318
76 K A -2.3902
77 N A -1.7267
78 T A 0.0000
79 L A 0.0000
80 Y A -0.4684
81 L A 0.0000
82 Q A -1.1896
83 M A 0.0000
84 N A -1.5105
85 S A -1.3394
86 L A 0.0000
87 R A -2.3696
88 A A -1.7648
89 E A -2.2440
90 D A 0.0000
91 T A -0.7563
92 A A 0.0000
93 V A 0.2207
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A -0.0294
99 I A 0.0000
100 R A 0.0682
101 V A 1.0364
102 G A 0.3817
103 P A -0.0079
104 S A -0.2553
105 G A -0.0393
106 G A 0.3508
107 A A 0.0000
108 F A 0.0000
109 D A 0.3367
110 Y A 0.5093
111 W A 0.2827
112 G A 0.0000
113 Q A -1.1513
114 G A 0.0000
115 T A -0.0198
116 L A 0.0679
117 V A 0.0000
118 T A -0.4418
119 V A 0.0000
120 S A -0.9886
121 S A -0.7373
122 A A -0.4386
123 S A -0.5868
124 T A -0.6673
125 K A -1.1267
126 G A -1.3133
127 P A 0.0000
128 S A -0.2740
129 V A 0.0000
130 F A 0.0000
131 P A -1.0045
132 L A 0.0000
133 A A -0.7807
134 P A 0.0000
135 S A 0.0000
136 S A 0.0000
137 K A 0.0000
138 S A 0.0000
139 T A 0.0000
140 S A -0.3460
141 G A 0.0000
142 G A 0.0000
143 T A 0.0000
144 A A 0.0000
145 A A 0.0038
146 L A 0.0000
147 G A 0.0000
148 C A 0.0000
149 L A 0.0000
150 V A 0.0000
151 K A 0.0000
152 D A -0.4172
153 Y A 0.0000
154 F A -0.1629
155 P A 0.0000
156 E A -0.3715
157 P A -0.6418
158 V A -0.6201
159 T A -0.6045
160 V A -0.3443
161 S A -0.3918
162 W A 0.0000
163 N A -0.7408
164 S A -0.6559
165 G A -0.4573
166 A A -0.2145
167 L A 0.0247
168 T A -0.1991
169 S A -0.2793
170 G A -0.3469
171 V A 0.1269
172 H A -0.1792
173 T A -0.0409
174 F A 0.0000
175 P A -0.3086
176 A A 0.0930
177 V A 0.0000
178 L A 1.0290
179 Q A 0.0000
180 S A -0.1001
181 S A -0.1900
182 G A 0.0557
183 L A 0.1839
184 Y A 0.4285
185 S A 0.0000
186 L A 0.0000
187 S A 0.0000
188 S A 0.0000
189 V A 0.1547
190 V A 0.0000
191 T A -0.1589
192 V A 0.0000
193 P A -0.7871
194 S A 0.0000
195 S A -0.8717
196 S A -0.7443
197 L A -1.0586
198 G A -1.1542
199 T A -0.7591
200 Q A -1.2912
201 T A -1.1633
202 Y A 0.0000
203 I A -1.2028
204 C A 0.0000
205 N A -1.4705
206 V A 0.0000
207 N A -1.9689
208 H A 0.0000
209 K A -2.7532
210 P A -1.4794
211 S A -1.7665
212 N A -2.5963
213 T A -2.0772
214 K A -2.6959
215 V A -1.5954
216 D A -2.4783
217 K A -2.0385
218 K A -2.4160
219 V A 0.0000
220 E A -2.5684
221 G A -1.6149
222 G A -1.0686
223 G A -0.9143
224 S A 0.0000
225 G A -0.6358
226 G A 0.0000
227 G A 0.0000
228 S A -1.3684
229 S A -1.5505
230 R A -2.1938
231 G A -1.6644
232 Q A -1.9012
233 Y A -1.4195
234 S A -1.9061
235 R A -3.1388
236 E A -3.0473
237 D A -3.4217
238 N A -2.9978
239 N A -2.3693
240 C A -1.2820
241 T A -0.5613
242 H A -0.7682
243 F A 0.0000
244 P A 0.3065
245 V A 1.3574
246 G A 0.0000
247 Q A 0.0000
248 S A 0.5451
249 H A 0.1049
250 M A 0.0000
251 L A 0.0000
252 L A 1.1740
253 E A 0.0000
254 L A 0.0000
255 R A -0.3736
256 T A -0.1253
257 A A 0.0000
258 F A 0.0000
259 S A -0.8648
260 Q A -0.8494
261 V A 0.0000
262 K A -1.1784
263 T A -0.8247
264 F A -0.3619
265 F A 0.0000
266 Q A -1.7616
267 T A -1.2529
268 K A -1.4957
269 D A -1.9007
270 Q A -2.1275
271 L A -1.3644
272 D A -2.1353
273 N A -1.4237
274 I A 0.3207
275 L A 0.0000
276 L A 0.0000
277 T A -0.8615
278 D A -1.9399
279 S A -1.7734
280 L A 0.0000
281 M A -1.6559
282 Q A -2.1322
283 D A -1.4767
284 F A 0.0000
285 K A -1.6714
286 G A -0.5718
287 Y A 0.7687
288 L A -0.4435
289 G A 0.0000
290 C A 0.0000
291 Q A -1.4916
292 A A 0.0000
293 L A 0.0000
294 S A -0.9411
295 E A -1.4951
296 M A 0.0000
297 I A 0.0000
298 Q A -0.4584
299 F A 0.0000
300 Y A 0.0000
301 L A -0.1672
302 V A -0.2543
303 E A -0.9961
304 V A 0.0000
305 M A 0.0000
306 P A 0.0000
307 Q A -1.5425
308 A A 0.0000
309 E A 0.0000
310 K A -2.2287
311 H A -1.5135
312 G A -1.7442
313 P A -1.8098
314 E A -2.0095
315 I A 0.0000
316 K A 0.0000
317 E A -0.6634
318 H A -0.6845
319 L A 0.0000
320 N A 0.0000
321 S A 0.0000
322 L A 0.0000
323 G A -0.0872
324 E A 0.0000
325 K A 0.0000
326 L A 0.0000
327 K A -0.4856
328 T A -0.6884
329 L A 0.0000
330 R A 0.0000
331 E A -1.6885
332 R A 0.0000
333 L A 0.0000
334 R A -2.2225
335 R A -3.0636
336 C A 0.0000
337 H A -2.2920
338 R A -2.0412
339 F A 0.0000
340 L A 0.0000
341 P A -1.6874
342 C A -1.6062
343 E A -2.8604
344 N A -3.1854
345 K A -3.4992
346 S A 0.0000
347 K A -3.2809
348 A A -2.4241
349 V A 0.0000
350 E A -3.6693
351 Q A -3.0818
352 V A 0.0000
353 K A -2.7059
354 S A -2.4695
355 D A -2.3685
356 F A 0.0000
357 N A -3.3249
358 K A -3.2468
359 L A -2.3663
360 Q A -3.1571
361 D A -2.9977
362 Q A -2.2973
363 G A 0.0000
364 V A 0.0000
365 Y A -1.2098
366 K A 0.0000
367 A A 0.0000
368 M A 0.0000
369 N A -0.6621
370 E A 0.0000
371 F A 0.0000
372 D A -0.6852
373 I A -0.1388
374 F A 0.0000
375 I A 0.0000
376 N A -1.1824
377 C A 0.0000
378 I A 0.0000
379 E A -1.4202
380 A A -1.5010
381 Y A 0.0000
382 M A -1.5378
383 E A -2.4793
384 I A -1.6325
385 K A -1.9100
386 E A -2.2419
387 K A -3.0048
388 S A -2.5433
389 H A -2.7477
390 H A -3.1382
391 H A -3.2338
392 H A -2.9289
393 H A -2.6472
394 H A -2.4758
1 S B -1.0709
2 E B -1.8384
3 L B 0.0000
4 T B -1.1854
5 Q B -1.2624
6 D B -2.1682
7 P B -1.5768
8 A B -1.0425
9 V B -0.6508
10 S B -0.0269
11 V B 0.0000
12 A B -0.1640
13 L B -0.2685
14 G B -1.0541
15 Q B -1.3797
16 T B -1.3093
17 V B 0.0000
18 R B -1.8515
19 I B 0.0000
20 T B -0.9708
21 C B 0.0000
22 S B -0.9415
23 G B -1.2303
24 S B -1.6018
25 N B -2.1285
26 T B -1.5311
27 N B 0.0000
28 I B 0.0000
29 G B -1.8953
30 K B -2.2140
31 N B -1.0453
32 Y B -0.0220
33 V B 0.0000
34 S B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B -0.2816
38 Q B -0.7962
39 K B -1.4371
40 P B -1.1967
41 G B -1.3646
42 Q B -1.4539
43 A B -0.6095
44 P B 0.0000
45 V B 1.1773
46 L B 0.0000
47 V B 0.0000
48 I B 0.0000
49 Y B -0.5314
50 A B -0.4705
51 N B -0.5735
52 S B -0.9675
53 N B -1.4839
54 R B -1.7821
55 P B -0.8884
56 S B -0.8770
57 G B -0.8242
58 I B -0.7299
59 P B -1.2401
60 D B -2.1925
61 R B -1.4739
62 F B 0.0000
63 S B -1.2434
64 G B 0.0000
65 S B -0.5978
66 S B -0.5454
67 S B -0.7042
68 G B -1.3058
69 N B -1.4366
70 T B -0.7534
71 A B 0.0000
72 S B -0.7422
73 L B 0.0000
74 T B -0.9987
75 I B 0.0000
76 T B -1.2961
77 G B -1.0679
78 A B 0.0000
79 Q B -1.4706
80 A B -1.1822
81 E B -2.0489
82 D B 0.0000
83 E B 0.0000
84 A B 0.0000
85 D B -1.5212
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 A B 0.0000
90 S B 0.0000
91 W B -0.3211
92 D B 0.0000
93 A B -0.6405
94 S B -0.2701
95 L B -0.2507
96 N B -0.9662
97 G B 0.0000
98 W B 0.0000
99 V B 0.0000
100 F B -0.4839
101 G B 0.0000
102 G B -1.6704
103 G B -1.4942
104 T B 0.0000
105 K B -1.8698
106 L B 0.0000
107 T B -0.0766
108 V B 0.0000
109 L B 0.4747
110 G B -0.2488
111 Q B -0.6652
112 P B -1.2215
113 K B -2.3423
114 A B -1.4772
115 N B -1.2622
116 P B 0.0000
117 T B -0.3036
118 V B 0.0000
119 T B -0.0305
120 L B 0.0000
121 F B 0.0000
122 P B 0.0000
123 P B 0.0000
124 S B 0.0000
125 S B -1.6361
126 E B -2.6256
127 E B 0.0000
128 L B -2.3271
129 Q B -2.4677
130 A B -2.0531
131 N B -2.7779
132 K B -2.7101
133 A B 0.0000
134 T B 0.0000
135 L B 0.0000
136 V B 0.0000
137 C B 0.0000
138 L B 0.0000
139 I B 0.0000
140 S B -0.6018
141 D B -1.4007
142 F B 0.0000
143 Y B -1.1941
144 P B -0.9957
145 G B -0.8621
146 A B -0.4435
147 V B -0.3054
148 T B -0.2817
149 V B 0.1977
150 A B -0.2882
151 W B 0.0000
152 K B -1.0002
153 A B 0.0000
154 D B -1.8176
155 G B -1.4837
156 S B -0.8973
157 P B -0.9035
158 V B -0.8689
159 K B -1.6533
160 A B -0.7793
161 G B -0.5534
162 V B -0.4198
163 E B -0.2867
164 T B -0.3631
165 T B -0.7603
166 K B -1.7472
167 P B -0.9785
168 S B -0.8853
169 K B -1.1425
170 Q B -1.1451
171 S B -1.4085
172 N B -1.6048
173 N B -1.4698
174 K B -1.5182
175 Y B -0.8772
176 A B 0.0000
177 A B 0.0000
178 S B 0.0000
179 S B 0.0000
180 Y B 0.0000
181 L B 0.0000
182 S B -0.4352
183 L B -1.0648
184 T B -1.8484
185 P B -2.5265
186 E B -3.1849
187 Q B -2.3379
188 W B 0.0000
189 K B -3.1113
190 S B -2.4542
191 H B -2.4765
192 R B -2.6547
193 S B -1.9048
194 Y B 0.0000
195 S B -0.6468
196 C B 0.0000
197 Q B -0.2303
198 V B 0.0000
199 T B -0.4709
200 H B 0.0000
201 E B -2.2788
202 G B -1.3298
203 S B -0.8522
204 T B -0.4586
205 V B 0.0035
206 E B -0.3677
207 K B 0.0000
208 T B 0.0000
209 V B 0.0000
210 A B 0.0000
211 P B -1.0415
212 T B -0.8586
213 E B -0.3170
214 C B 0.1939
215 S B -0.2980
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018