Project name: 5fcca318d1a7eaa

Status: done

Started: 2026-05-12 18:51:06
Settings
Chain sequence(s) A: GPLPANPEPPLRSTDEYVTPTDLLYIAETDLITETGNPTADITVDGKVVVPRVSAYQYDVFLLTLPDPNTLPLPSADFLNPETEIRIWRLLAFKIHKYGPLGTGTYGHPNFNAFGDVDNPTEYQHETADDRVALSFTPVLKQEYVIGDEPPIGRYTDLAEPAPGLPPGALPPTRVVRTLIQHGDMADIGFGAKDYAALEPRKDDVPEIIRDTKTIVLDYDGMRAEPTGRRMFTSNSYTSSSNSRTLRLDGPDPVPLPDAGPPPALYVPPPPSSPTAVPPSTRLFTLPDRGEITESDLLFNKPIFLTQTEGLNNGILWGNRLYITVLDNTRANIATNTTKISTPANNVYDPSNYVTSKTYTRQYKLSLIIQLAKIPLTPETLEYLSRLDPRFLVDAKLPDIPPVERPDPYAGLKFKEIDLTNKLSTNLSDSELGQAYLNR
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-2.9695
Maximal score value
2.2208
Average score
-0.5237
Total score value
-229.9252

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 G A -0.2089
2 P A 0.1956
3 L A 0.9891
4 P A 0.0011
5 A A -0.6340
6 N A -1.6825
7 P A -1.8673
8 E A -2.3200
9 P A -1.3373
10 P A -0.6904
11 L A 0.0779
12 R A -0.9866
13 S A -1.1932
14 T A 0.0000
15 D A -2.8700
16 E A -2.8070
17 Y A 0.0000
18 V A 0.0000
19 T A -0.9190
20 P A -0.9128
21 T A 0.0000
22 D A -1.6434
23 L A -0.5108
24 L A -0.2070
25 Y A -0.1301
26 I A 0.0000
27 A A 0.0000
28 E A -0.9631
29 T A 0.0000
30 D A -1.2801
31 L A 0.5105
32 I A 0.2031
33 T A -0.0254
34 E A -0.2575
35 T A -0.2824
36 G A 0.0000
37 N A -0.7191
38 P A 0.0000
39 T A -0.6948
40 A A -0.4954
41 D A -0.3618
42 I A 1.3217
43 T A 0.9981
44 V A 1.1038
45 D A -1.2849
46 G A -0.9441
47 K A -0.6989
48 V A 1.4779
49 V A 2.2208
50 V A 1.5393
51 P A 0.1836
52 R A -0.3545
53 V A 0.0000
54 S A 0.0000
55 A A 0.0000
56 Y A 0.0000
57 Q A 0.0000
58 Y A 0.0000
59 D A 0.0000
60 V A 0.0000
61 F A 0.0000
62 L A 0.0000
63 L A 0.0000
64 T A -1.3181
65 L A 0.0000
66 P A 0.0000
67 D A -0.6439
68 P A 0.0000
69 N A -0.8360
70 T A -0.2052
71 L A 0.0290
72 P A -0.0457
73 L A 0.0399
74 P A -0.2890
75 S A -0.6382
76 A A -0.9052
77 D A -1.8280
78 F A -0.8560
79 L A 0.0000
80 N A -2.1161
81 P A -1.7776
82 E A -2.4160
83 T A -1.5373
84 E A -1.4257
85 I A 0.0000
86 R A 0.0000
87 I A 0.0000
88 W A 0.0000
89 R A -0.3315
90 L A 0.0000
91 L A 0.0000
92 A A 0.0000
93 F A 0.0000
94 K A 0.0000
95 I A 0.0000
96 H A -0.3514
97 K A 0.0000
98 Y A 0.3753
99 G A -0.2186
100 P A -0.1304
101 L A 0.1431
102 G A 0.0375
103 T A -0.2452
104 G A 0.0000
105 T A -0.1742
106 Y A 0.0000
107 G A -0.4981
108 H A 0.0000
109 P A -0.6313
110 N A -1.4495
111 F A 0.0000
112 N A 0.0000
113 A A 0.0000
114 F A -0.6542
115 G A 0.0000
116 D A -1.7087
117 V A -1.3954
118 D A -2.9104
119 N A -2.7107
120 P A -1.9745
121 T A -1.5803
122 E A -2.1169
123 Y A -0.8046
124 Q A -1.3172
125 H A -1.4608
126 E A -1.8441
127 T A -1.5117
128 A A -1.2588
129 D A -2.3883
130 D A -1.8289
131 R A -1.5703
132 V A -0.1428
133 A A -0.0495
134 L A -0.0146
135 S A -0.1730
136 F A 0.0000
137 T A -0.5373
138 P A 0.0000
139 V A 0.0000
140 L A 0.0000
141 K A -0.2134
142 Q A 0.0000
143 E A 0.0000
144 Y A 0.0000
145 V A 0.0000
146 I A 0.0000
147 G A 0.0000
148 D A 0.0000
149 E A 0.0000
150 P A 0.0000
151 P A 0.0000
152 I A -0.4189
153 G A 0.0000
154 R A -1.1321
155 Y A 0.0000
156 T A -0.3118
157 D A -0.4686
158 L A 0.1270
159 A A -0.8707
160 E A -2.0201
161 P A -0.7970
162 A A -0.5249
163 P A -0.5191
164 G A -0.2622
165 L A 0.5285
166 P A -0.0082
167 P A -0.2461
168 G A -0.0773
169 A A 0.7824
170 L A 1.5888
171 P A 0.5564
172 P A -0.2115
173 T A -0.3153
174 R A -0.9237
175 V A 0.5083
176 V A -0.5036
177 R A -1.7397
178 T A -0.7110
179 L A -0.1241
180 I A 0.0000
181 Q A -0.8311
182 H A -1.1495
183 G A -0.7846
184 D A -0.8543
185 M A 0.0000
186 A A 0.0000
187 D A -0.3879
188 I A 0.0000
189 G A -0.4889
190 F A -0.0205
191 G A -0.2567
192 A A -0.4207
193 K A -0.6002
194 D A 0.0000
195 Y A 0.0000
196 A A -1.2018
197 A A -0.2563
198 L A -0.2901
199 E A -1.2793
200 P A -1.4790
201 R A -2.0047
202 K A -2.6006
203 D A 0.0000
204 D A -1.3004
205 V A 0.0000
206 P A 0.0000
207 E A -1.5341
208 I A 0.0000
209 I A 0.0000
210 R A -2.1900
211 D A -2.1357
212 T A -1.4795
213 K A -1.6805
214 T A 0.0000
215 I A 0.0000
216 V A -0.1648
217 L A 0.0000
218 D A 0.0000
219 Y A -1.3355
220 D A -2.3843
221 G A -1.8801
222 M A 0.0000
223 R A -2.9695
224 A A -1.6106
225 E A -1.3186
226 P A -0.6221
227 T A -0.4536
228 G A 0.0000
229 R A 0.0000
230 R A -0.5202
231 M A 0.0000
232 F A 0.0000
233 T A -0.9741
234 S A -0.5931
235 N A -0.6417
236 S A -0.3178
237 Y A -0.0184
238 T A -0.1850
239 S A -0.5894
240 S A -1.1850
241 S A -1.5936
242 N A -2.1261
243 S A -1.9921
244 R A -2.7468
245 T A -1.4228
246 L A 0.0000
247 R A 0.0000
248 L A 0.0104
249 D A -0.9378
250 G A -0.7715
251 P A -0.5020
252 D A -0.3153
253 P A 0.4668
254 V A 1.3180
255 P A -0.0252
256 L A -0.0450
257 P A -0.7514
258 D A -1.6751
259 A A -0.5410
260 G A 0.0000
261 P A 0.3577
262 P A 0.2771
263 P A 0.7100
264 A A 1.0745
265 L A 1.9673
266 Y A 1.8382
267 V A 2.0257
268 P A 0.8804
269 P A 0.2504
270 P A -0.3923
271 P A -0.3384
272 S A -0.3179
273 S A -0.1345
274 P A -0.3239
275 T A 0.2016
276 A A 0.4959
277 V A 1.4300
278 P A 0.5573
279 P A -0.1898
280 S A -0.1790
281 T A 0.1537
282 R A 0.3871
283 L A 1.5230
284 F A 0.5506
285 T A -0.7218
286 L A 0.0000
287 P A 0.0000
288 D A -1.7101
289 R A -1.3316
290 G A -1.5551
291 E A -1.9718
292 I A -1.0691
293 T A -1.3875
294 E A -1.9196
295 S A -1.3149
296 D A -1.3143
297 L A -0.7984
298 L A -0.5999
299 F A 0.0000
300 N A -1.0219
301 K A -1.2630
302 P A -0.6935
303 I A 0.2578
304 F A 0.1654
305 L A 0.0000
306 T A -0.4921
307 Q A -1.6891
308 T A 0.0000
309 E A -2.2217
310 G A -1.3979
311 L A -0.6363
312 N A 0.0000
313 N A 0.0000
314 G A 0.0000
315 I A 0.0000
316 L A 0.0000
317 W A 0.0000
318 G A -0.7762
319 N A -0.8104
320 R A -0.9613
321 L A 0.0000
322 Y A 0.0000
323 I A 0.0000
324 T A 0.0000
325 V A 0.0000
326 L A 0.0000
327 D A 0.0000
328 N A 0.0000
329 T A 0.0000
330 R A 0.0000
331 A A 0.0000
332 N A -0.3378
333 I A -0.3448
334 A A -0.6090
335 T A -0.8436
336 N A -0.9014
337 T A -0.3523
338 T A -0.1371
339 K A -0.4792
340 I A 1.3925
341 S A 0.2966
342 T A -0.3605
343 P A -0.3637
344 A A -0.6134
345 N A -1.1023
346 N A -0.8143
347 V A 1.1054
348 Y A 1.1926
349 D A -0.1070
350 P A 0.0322
351 S A -0.0358
352 N A 0.3789
353 Y A 0.5729
354 V A 1.1901
355 T A -0.2305
356 S A -0.7763
357 K A -1.6755
358 T A -0.8978
359 Y A 0.0000
360 T A -0.2596
361 R A 0.0000
362 Q A 0.0316
363 Y A 0.0000
364 K A -0.4295
365 L A 0.0000
366 S A 0.0000
367 L A 0.0000
368 I A 0.0000
369 I A 0.0000
370 Q A -0.4090
371 L A 0.0000
372 A A 0.0000
373 K A -0.5574
374 I A 0.0000
375 P A -0.8053
376 L A -0.9678
377 T A -0.9550
378 P A -1.5073
379 E A -2.4354
380 T A 0.0000
381 L A -1.3174
382 E A -2.6173
383 Y A 0.0000
384 L A 0.0000
385 S A -1.1769
386 R A -1.6013
387 L A -0.5713
388 D A 0.0000
389 P A -0.9720
390 R A -1.1391
391 F A 0.0000
392 L A 0.0000
393 V A -1.0480
394 D A -1.5093
395 A A -1.3823
396 K A -2.2267
397 L A 0.0000
398 P A -1.6962
399 D A -1.9406
400 I A -0.5260
401 P A -0.5655
402 P A -0.8901
403 V A -0.0996
404 E A -2.2072
405 R A -2.6127
406 P A -1.7543
407 D A -1.6307
408 P A -0.8510
409 Y A -0.3940
410 A A -0.5839
411 G A -0.7026
412 L A -0.6019
413 K A -2.0253
414 F A -1.4573
415 K A -1.8505
416 E A -2.5717
417 I A -1.9062
418 D A -2.6101
419 L A 0.0000
420 T A -1.4354
421 N A -1.9685
422 K A -2.0009
423 L A -0.7153
424 S A -0.8784
425 T A -0.5466
426 N A -1.4996
427 L A 0.0000
428 S A -1.8526
429 D A -2.7370
430 S A 0.0000
431 E A -2.5735
432 L A 0.0000
433 G A 0.0000
434 Q A -2.1542
435 A A -1.3346
436 Y A -0.4991
437 L A 0.0688
438 N A -1.6362
439 R A -1.9729
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Laboratory of Theory of Biopolymers 2018