Project name: cd14a3e6acdf6e3

Status: done

Started: 2025-02-23 17:06:05
Settings
Chain sequence(s) A: MVSYWDTGVLLCALLSCLLLTGSSSGSDTGRPFVEMYSEIPEIIHMTEGRELVIPCRVTSPNITVTLKKFPLDTLIPDGKRIIWDSRKGFIISNATYKEIGLLTCEATVNGHLYKTNYLTHRQTNTIIDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNSTFVRVHEKDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
input PDB
Selected Chain(s) A
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 A 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                                          (00:06:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:49)
Show buried residues

Minimal score value
-4.232
Maximal score value
2.6641
Average score
-0.8346
Total score value
-382.2311

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 M A 2.0012
2 V A 2.6641
3 S A 1.6299
4 Y A 1.8808
5 W A 1.0725
6 D A -0.5423
7 T A 0.3135
8 G A 0.6476
9 V A 2.0113
10 L A 1.8131
11 L A 1.8466
12 C A 1.7588
13 A A 1.3117
14 L A 1.5007
15 L A 1.4959
16 S A 1.3568
17 C A 1.9175
18 L A 2.0933
19 L A 2.5826
20 L A 2.4616
21 T A 0.9128
22 G A -0.1267
23 S A -0.5044
24 S A -0.6999
25 S A -0.8873
26 G A -1.1705
27 S A -1.5602
28 D A -2.3770
29 T A -1.4571
30 G A -1.6479
31 R A -1.7875
32 P A 0.0000
33 F A 0.0000
34 V A 0.1904
35 E A -0.0422
36 M A -0.0684
37 Y A -0.1042
38 S A -0.7078
39 E A -0.7335
40 I A 1.0751
41 P A 0.0000
42 E A -0.4516
43 I A 0.1817
44 I A -0.2958
45 H A -1.1346
46 M A 0.0000
47 T A -2.4634
48 E A -2.9779
49 G A -2.5734
50 R A -3.7943
51 E A -3.3524
52 L A 0.0000
53 V A -0.1715
54 I A 0.0000
55 P A -0.8814
56 C A 0.0000
57 R A -1.6092
58 V A 0.0000
59 T A -0.7701
60 S A -0.9875
61 P A -1.3648
62 N A -1.3217
63 I A -0.5188
64 T A -0.2109
65 V A -0.2456
66 T A 0.1320
67 L A 0.0000
68 K A -0.2266
69 K A -0.1608
70 F A 0.6961
71 P A 0.5781
72 L A 1.1321
73 D A 0.0378
74 T A 0.2933
75 L A 0.0000
76 I A 1.3387
77 P A -0.2185
78 D A -1.9974
79 G A -1.7126
80 K A -2.6709
81 R A -1.9543
82 I A 0.0000
83 I A -0.1675
84 W A -0.0732
85 D A -1.2012
86 S A -1.8839
87 R A -2.7707
88 K A -2.2908
89 G A 0.0000
90 F A 0.0000
91 I A -0.4393
92 I A 0.0000
93 S A -2.0923
94 N A -3.0907
95 A A 0.0000
96 T A -1.0442
97 Y A 0.6048
98 K A -0.3469
99 E A 0.0000
100 I A 0.2825
101 G A 0.3114
102 L A 0.0000
103 L A 0.0000
104 T A 0.0000
105 C A 0.0000
106 E A -0.4007
107 A A 0.0000
108 T A -0.4752
109 V A -0.7408
110 N A -1.5537
111 G A -1.2357
112 H A -1.2070
113 L A -0.0029
114 Y A -0.3344
115 K A -0.9982
116 T A 0.0000
117 N A -0.4695
118 Y A 0.0000
119 L A 0.1954
120 T A 0.0000
121 H A -0.7526
122 R A -1.4036
123 Q A -2.0948
124 T A -1.3384
125 N A -0.4039
126 T A -0.3463
127 I A 0.0000
128 I A -0.0233
129 D A -0.5870
130 V A 0.0000
131 V A 0.1991
132 L A 0.0000
133 S A -0.1448
134 P A -0.3562
135 S A -0.6932
136 H A -1.4134
137 G A -1.6237
138 I A 0.0000
139 E A -2.9932
140 L A -2.7138
141 S A -2.9145
142 V A -2.4546
143 G A -2.2801
144 E A -2.6572
145 K A -2.3925
146 L A 0.0000
147 V A -0.3222
148 L A 0.0000
149 N A -0.0338
150 C A 0.0000
151 T A -0.5179
152 A A 0.0000
153 R A -0.7387
154 T A 0.0000
155 E A -1.3319
156 L A -1.3310
157 N A -1.8113
158 V A 0.0000
159 G A -1.5780
160 I A -1.6276
161 D A -2.2276
162 F A -1.4741
163 N A -2.1262
164 W A 0.0000
165 E A -1.6263
166 Y A -0.5636
167 P A -0.7789
168 S A 0.0000
169 S A -1.6753
170 K A -2.4323
171 H A -2.5636
172 Q A -2.8955
173 H A -3.2086
174 K A -3.0631
175 K A -1.9453
176 L A 0.3529
177 V A 0.2033
178 N A -1.8601
179 R A -3.2015
180 D A -3.4421
181 L A -2.5040
182 K A -2.8119
183 T A -2.0976
184 Q A -2.0862
185 S A -1.4693
186 G A -1.3480
187 S A -1.6017
188 E A -2.2440
189 M A -1.4588
190 K A -2.0287
191 K A -1.7638
192 F A 0.0000
193 L A -1.0813
194 S A 0.0000
195 T A -0.1038
196 L A 0.0000
197 T A -1.1150
198 I A 0.0000
199 D A -3.5475
200 G A -2.2794
201 V A 0.0000
202 T A -1.9877
203 R A -2.9202
204 S A -1.3964
205 D A 0.0000
206 Q A -1.9515
207 G A -0.1236
208 L A 1.1980
209 Y A 0.0000
210 T A -0.8419
211 C A 0.0000
212 A A 0.0000
213 A A 0.0000
214 S A -1.0513
215 S A -0.3474
216 G A -0.0170
217 L A 1.4232
218 M A 0.7633
219 T A -0.6647
220 K A -1.5639
221 K A -2.4388
222 N A -1.3797
223 S A -0.4074
224 T A 0.0000
225 F A 0.2780
226 V A 0.0000
227 R A -2.9352
228 V A 0.0000
229 H A -3.5936
230 E A -3.8422
231 K A -4.2320
232 D A -4.1342
233 K A -3.5373
234 T A -2.1139
235 H A -1.8005
236 T A -0.6034
237 C A 0.3458
238 P A 0.0006
239 P A 0.0924
240 C A 0.5093
241 P A -0.2375
242 A A -0.2708
243 P A -0.4477
244 E A -0.8419
245 L A 1.1649
246 L A 1.4849
247 G A 0.2633
248 G A -0.1477
249 P A 0.0000
250 S A -0.1850
251 V A 0.0000
252 F A 0.7129
253 L A 0.7350
254 F A 0.9958
255 P A -0.2163
256 P A 0.0000
257 K A -2.1556
258 P A -1.5260
259 K A -1.5172
260 D A 0.0000
261 T A 0.0000
262 L A 0.0000
263 M A 0.1150
264 I A 1.2642
265 S A -0.0830
266 R A -1.5217
267 T A -0.9708
268 P A 0.0000
269 E A -1.3047
270 V A 0.0000
271 T A 0.1083
272 C A 0.0000
273 V A 0.0000
274 V A 0.0000
275 V A -0.9866
276 D A -1.4723
277 V A 0.0000
278 S A -2.1512
279 H A -2.6931
280 E A -3.0477
281 D A -2.7630
282 P A -2.7089
283 E A -3.2439
284 V A -2.1073
285 K A -2.2483
286 F A -1.1011
287 N A -1.0658
288 W A 0.0000
289 Y A -0.5965
290 V A -0.8843
291 D A -2.1751
292 G A -0.8924
293 V A 0.5901
294 E A -0.6390
295 V A -0.5396
296 H A -1.8816
297 N A -2.1792
298 A A -1.9010
299 K A -2.3730
300 T A -1.8696
301 K A -2.2457
302 P A -2.4756
303 R A -3.8579
304 E A -3.9750
305 E A -3.6217
306 Q A -2.3372
307 Y A -1.1821
308 N A -1.1479
309 S A -1.3286
310 T A -2.0643
311 Y A 0.0000
312 R A -2.4675
313 V A 0.0000
314 V A -0.9822
315 S A 0.0000
316 V A 0.0000
317 L A 0.0000
318 T A -0.7763
319 V A 0.0000
320 L A 0.5058
321 H A -0.2718
322 Q A -1.1780
323 D A -1.4462
324 W A 0.0000
325 L A -0.9704
326 N A -2.0816
327 G A -2.1058
328 K A -2.2227
329 E A -2.2392
330 Y A 0.0000
331 K A -1.4103
332 C A 0.0000
333 K A -1.2068
334 V A 0.0000
335 S A -1.3776
336 N A 0.0000
337 K A -2.6177
338 A A -1.2148
339 L A -0.4835
340 P A -0.3159
341 A A -0.3465
342 P A -0.7017
343 I A -0.3112
344 E A -1.2865
345 K A -0.9130
346 T A -0.8826
347 I A -0.2255
348 S A -1.1996
349 K A -1.3028
350 A A -1.1724
351 K A -2.3455
352 G A -1.9682
353 Q A -2.1232
354 P A -1.7467
355 R A -2.1975
356 E A -2.8216
357 P A 0.0000
358 Q A -1.5479
359 V A -0.5094
360 Y A 0.5776
361 T A 0.3363
362 L A 0.5259
363 P A -0.2215
364 P A -0.9451
365 S A -1.7272
366 R A -2.8746
367 D A -3.1173
368 E A -2.6217
369 L A -2.2904
370 T A -2.1372
371 K A -3.0759
372 N A -2.8810
373 Q A -2.5468
374 V A 0.0000
375 S A -0.7177
376 L A 0.0000
377 T A -0.1616
378 C A 0.0000
379 L A 0.5043
380 V A 0.0000
381 K A -0.6411
382 G A -1.3539
383 F A 0.0000
384 Y A -1.0129
385 P A 0.0000
386 S A 0.0033
387 D A -1.2036
388 I A 0.0000
389 A A -0.7128
390 V A 0.0000
391 E A -1.2945
392 W A 0.0000
393 E A -2.0041
394 S A 0.0000
395 N A -1.9296
396 G A -1.8280
397 Q A -2.3392
398 P A -2.0675
399 E A -2.0535
400 N A -2.4920
401 N A -2.3100
402 Y A -2.1258
403 K A -2.4368
404 T A -1.0675
405 T A -0.3216
406 P A 0.0598
407 P A 0.6900
408 V A 1.6434
409 L A 1.3694
410 D A -0.4581
411 S A -1.0412
412 D A -1.9796
413 G A -0.7849
414 S A 0.0000
415 F A 0.4418
416 F A 0.7668
417 L A 0.0000
418 Y A 0.4199
419 S A 0.0000
420 K A -1.6869
421 L A 0.0000
422 T A -1.4923
423 V A 0.0000
424 D A -2.5345
425 K A -2.6978
426 S A -2.1595
427 R A -2.0003
428 W A 0.0000
429 Q A -2.3072
430 Q A -2.1293
431 G A -1.2504
432 N A -0.8982
433 V A -0.0569
434 F A 0.0000
435 S A -1.0788
436 C A 0.0000
437 S A 0.0000
438 V A 0.0000
439 M A 0.0000
440 H A 0.0000
441 E A -1.1487
442 A A -1.5119
443 L A -1.5074
444 H A -1.7712
445 N A -1.6974
446 H A -1.0697
447 Y A -0.5545
448 T A -1.0123
449 Q A -1.5116
450 K A -1.1866
451 S A -0.5892
452 L A 0.0000
453 S A -0.1924
454 L A -0.4085
455 S A -0.7381
456 P A -0.9459
457 G A -1.4161
458 K A -2.0250
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Laboratory of Theory of Biopolymers 2018