Project name: 7598bcd55ab46fe

Chain sequence(s)	A: DVDLGPDSTRDTCDEVVVQVSAFQKDWPQPINPLFADGIIYPTGRSYSNISLSYQGLFPRQGDLGRQYIYSVTHAIGKHFISNYSAETLPFGNGFVVRIGFSANKTGSLVISPSKVIKKIYPAFMLGTAVTSFAHGHAGRYLNHTLVILPESCGTSLTVFYCILEPRNGTRCPNHQDYTSYVIWETPHSVNRNATLNSFKVSFNLRQCKFMRTYNISDDENQEWFGITQNAQGVHLYSSRKGDLYGGNMFLFDTLPVYETLKYYTVIPRSLRSRLNERQAWAAFYVYSLHKLTYLLDFSVDGYVRRAIDCGYDDVAQLFCSYESFDVDSGVYSVSSFEAQPRGYFVEQPHSSECDFSAMFSSQPPQVYNFSRLVFTNCNYNLTRLLSLFQVSEFSCHQVSPSALASGCYSSLTVDYFAYPLSMASYLRQGSTGPIAQFNYKQDFTNPTCRILAAVPSNVTIPLPQSYMWLTQCYTNSPSNSHYVEAGSYTPCLGLASRGFNTFNSMHYDPATGLTATGSYQYISEEALEMAFIISVQYGTDSNSVCPLQAVHNDTKVDDKLGRCIEYSLYGVTGRGVFQNCTPVGLKQQRFVYDGFDNLVGYHSDNGNYYCVRPCVSVPVSVIYDKATNNHATLFGSVACEHVDAGPMQTSVGCVVGLVNTSLIVDNCQLPLGQSLCAVPATSSLQLATINFTEPHMLTPINSSRFIVEIPTNFSFGVTQEFIQTTIQKVTVDCKQYVCNGFEKCEQLLREYGQFCAKINQALHGANLRQDESVSNLFSNIKTQATQPLDAGLTGDFNLTLLQVPKVVTSQYSYRSAIEDLLFNKVTIADPGYMQGYDECMKQDLICAQFVAGYKVLPPLYDPNMESMYTTSLTGAILGAAWTAGASSFAAIPFAQSVFYRMNGIGITQQVLSENQKQIANKFNQALGAMQTGFTTTNLAFAKVQEAVNANAQALSKLASELSNTFGAISSSISDILKRLDAVEQEAQIDRLINGRLTSLNAFVAQQLVRSETAARSSQLAVDKVNECVKSQSKRNGFCGSGNHIVSFVSNAPNGLYFFHVGYVPTAHINATAAYGLCNTELPPRCIAPIDGYFVTNPEWYYTGSAFYNPEPITLANTRYVSKDTKYQELNNKLPPPLLS; C: DVDLGPDSTRDTCDEVVVQVSAFQKDWPQPINPLFADGIIYPTGRSYSNISLSYQGLFPRQGDLGRQYIYSVTHAIGKHFISNYSAETLPFGNGFVVRIGFSANKTGSLVISPSKVIKKIYPAFMLGTAVTSFAHGHAGRYLNHTLVILPESCGTSLTVFYCILEPRNGTRCPNHQDYTSYVIWETPHSVNRNATLNSFKVSFNLRQCKFMRTYNISDDENQEWFGITQNAQGVHLYSSRKGDLYGGNMFLFDTLPVYETLKYYTVIPRSLRSRLNERQAWAAFYVYSLHKLTYLLDFSVDGYVRRAIDCGYDDVAQLFCSYESFDVDSGVYSVSSFEAQPRGYFVEQPHSSECDFSAMFSSQPPQVYNFSRLVFTNCNYNLTRLLSLFQVSEFSCHQVSPSALASGCYSSLTVDYFAYPLSMASYLRQGSTGPIAQFNYKQDFTNPTCRILAAVPSNVTIPLPQSYMWLTQCYTNSPSNSHYVEAGSYTPCLGLASRGFNTFNSMHYDPATGLTATGSYQYISEEALEMAFIISVQYGTDSNSVCPLQAVHNDTKVDDKLGRCIEYSLYGVTGRGVFQNCTPVGLKQQRFVYDGFDNLVGYHSDNGNYYCVRPCVSVPVSVIYDKATNNHATLFGSVACEHVDAGPMQTSVGCVVGLVNTSLIVDNCQLPLGQSLCAVPATSSLQLATINFTEPHMLTPINSSRFIVEIPTNFSFGVTQEFIQTTIQKVTVDCKQYVCNGFEKCEQLLREYGQFCAKINQALHGANLRQDESVSNLFSNIKTQATQPLDAGLTGDFNLTLLQVPKVVTSQYSYRSAIEDLLFNKVTIADPGYMQGYDECMKQDLICAQFVAGYKVLPPLYDPNMESMYTTSLTGAILGAAWTAGASSFAAIPFAQSVFYRMNGIGITQQVLSENQKQIANKFNQALGAMQTGFTTTNLAFAKVQEAVNANAQALSKLASELSNTFGAISSSISDILKRLDAVEQEAQIDRLINGRLTSLNAFVAQQLVRSETAARSSQLAVDKVNECVKSQSKRNGFCGSGNHIVSFVSNAPNGLYFFHVGYVPTAHINATAAYGLCNTELPPRCIAPIDGYFVTNPEWYYTGSAFYNPEPITLANTRYVSKDTKYQELNNKLPPPLLS; B: DVDLGPDSTRDTCDEVVVQVSAFQKDWPQPINPLFADGIIYPTGRSYSNISLSYQGLFPRQGDLGRQYIYSVTHAIGKHFISNYSAETLPFGNGFVVRIGFSANKTGSLVISPSKVIKKIYPAFMLGTAVTSFAHGHAGRYLNHTLVILPESCGTSLTVFYCILEPRNGTRCPNHQDYTSYVIWETPHSVNRNATLNSFKVSFNLRQCKFMRTYNISDDENQEWFGITQNAQGVHLYSSRKGDLYGGNMFLFDTLPVYETLKYYTVIPRSLRSRLNERQAWAAFYVYSLHKLTYLLDFSVDGYVRRAIDCGYDDVAQLFCSYESFDVDSGVYSVSSFEAQPRGYFVEQPHSSECDFSAMFSSQPPQVYNFSRLVFTNCNYNLTRLLSLFQVSEFSCHQVSPSALASGCYSSLTVDYFAYPLSMASYLRQGSTGPIAQFNYKQDFTNPTCRILAAVPSNVTIPLPQSYMWLTQCYTNSPSNSHYVEAGSYTPCLGLASRGFNTFNSMHYDPATGLTATGSYQYISEEALEMAFIISVQYGTDSNSVCPLQAVHNDTKVDDKLGRCIEYSLYGVTGRGVFQNCTPVGLKQQRFVYDGFDNLVGYHSDNGNYYCVRPCVSVPVSVIYDKATNNHATLFGSVACEHVDAGPMQTSVGCVVGLVNTSLIVDNCQLPLGQSLCAVPATSSLQLATINFTEPHMLTPINSSRFIVEIPTNFSFGVTQEFIQTTIQKVTVDCKQYVCNGFEKCEQLLREYGQFCAKINQALHGANLRQDESVSNLFSNIKTQATQPLDAGLTGDFNLTLLQVPKVVTSQYSYRSAIEDLLFNKVTIADPGYMQGYDECMKQDLICAQFVAGYKVLPPLYDPNMESMYTTSLTGAILGAAWTAGASSFAAIPFAQSVFYRMNGIGITQQVLSENQKQIANKFNQALGAMQTGFTTTNLAFAKVQEAVNANAQALSKLASELSNTFGAISSSISDILKRLDAVEQEAQIDRLINGRLTSLNAFVAQQLVRSETAARSSQLAVDKVNECVKSQSKRNGFCGSGNHIVSFVSNAPNGLYFFHVGYVPTAHINATAAYGLCNTELPPRCIAPIDGYFVTNPEWYYTGSAFYNPEPITLANTRYVSKDTKYQELNNKLPPPLLS
Selected Chain(s)	A,C,B
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:19)

• Minimal score value: -3.7488
• Maximal score value: 2.2117
• Average score: -0.444
• Total score value: -1518.5498

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
18	D	A	-2.8432
19	V	A	-1.6353
20	D	A	-2.3430
21	L	A	-1.5047
22	G	A	-1.2261
23	P	A	-1.4119
24	D	A	-1.8805
25	S	A	-1.6519
26	T	A	-1.3677
27	R	A	-2.0871
28	D	A	-2.6321
29	T	A	-1.7813
30	C	A	0.0000
31	D	A	-1.4640
32	E	A	-1.8126
33	V	A	0.0000
34	V	A	-0.2421
35	V	A	0.0585
36	Q	A	-0.3307
37	V	A	-0.1078
38	S	A	-0.4406
39	A	A	-0.3760
40	F	A	0.0000
41	Q	A	-1.8203
42	K	A	-1.7127
43	D	A	-1.8753
44	W	A	0.1953
45	P	A	-0.2485
46	Q	A	-0.1537
47	P	A	-0.2095
48	I	A	0.0000
49	N	A	0.1489
50	P	A	0.0000
51	L	A	1.7531
52	F	A	1.9590
53	A	A	0.0000
54	D	A	0.1216
55	G	A	0.0000
56	I	A	0.0000
57	I	A	0.3179
58	Y	A	0.0000
59	P	A	0.0000
60	T	A	-0.1382
61	G	A	0.0000
62	R	A	-0.8114
63	S	A	0.0000
64	Y	A	0.0000
65	S	A	-0.2180
66	N	A	-0.6816
67	I	A	-0.1983
68	S	A	-0.6196
69	L	A	0.0000
70	S	A	-0.3786
71	Y	A	0.1466
72	Q	A	-0.7497
73	G	A	-0.5713
74	L	A	-0.6164
75	F	A	0.0000
76	P	A	0.0000
77	R	A	-1.7677
78	Q	A	-0.8869
79	G	A	-0.6971
80	D	A	-0.8082
81	L	A	0.5190
82	G	A	-0.4327
83	R	A	-0.9475
84	Q	A	-0.9650
85	Y	A	0.0000
86	I	A	0.0000
87	Y	A	0.0000
88	S	A	0.0000
89	V	A	0.0000
90	T	A	0.0000
91	H	A	-0.3477
92	A	A	0.2243
103	I	A	1.2571
104	G	A	-0.3352
105	K	A	-1.3036
106	H	A	0.0000
107	F	A	0.0000
108	I	A	0.0000
109	S	A	0.0000
110	N	A	-0.8467
111	Y	A	-0.3555
112	S	A	0.0000
113	A	A	-0.5244
114	E	A	-0.5385
115	T	A	-0.2012
116	L	A	-0.1873
117	P	A	-0.6506
118	F	A	0.0000
119	G	A	-1.0328
120	N	A	-1.2990
121	G	A	0.0000
122	F	A	0.0000
123	V	A	0.0000
124	V	A	0.0000
125	R	A	0.0000
126	I	A	0.0000
127	G	A	0.0000
128	F	A	-0.0071
129	S	A	-0.5987
130	A	A	0.0000
131	N	A	-1.9653
132	K	A	-1.9229
133	T	A	-0.8419
134	G	A	-0.6428
135	S	A	-0.2880
136	L	A	0.0000
137	V	A	-0.0576
138	I	A	0.0631
139	S	A	-0.2026
140	P	A	-0.2876
143	S	A	-0.4371
144	K	A	-0.6056
145	V	A	0.3105
146	I	A	-0.4398
147	K	A	-0.9520
148	K	A	0.0000
149	I	A	0.0000
150	Y	A	0.0000
151	P	A	0.0000
152	A	A	0.0000
153	F	A	0.0000
154	M	A	0.0000
155	L	A	0.0000
156	G	A	0.0000
157	T	A	-0.6344
158	A	A	-0.1553
159	V	A	0.1641
160	T	A	-0.0555
161	S	A	-0.6250
162	F	A	0.0000
163	A	A	-1.2992
164	H	A	-1.9803
165	G	A	-1.3418
166	H	A	-1.3408
167	A	A	-0.6690
168	G	A	0.0000
169	R	A	-0.5199
170	Y	A	0.0000
171	L	A	-0.2907
172	N	A	-1.2218
173	H	A	-1.0533
174	T	A	0.0000
175	L	A	0.0000
176	V	A	0.0000
177	I	A	0.0000
178	L	A	0.0000
179	P	A	0.0000
180	E	A	0.0000
181	S	A	0.0000
182	C	A	0.1295
183	G	A	-0.4468
184	T	A	-0.8464
185	S	A	0.0000
186	L	A	-0.2616
187	T	A	0.0000
188	V	A	0.0000
189	F	A	0.0000
190	Y	A	0.0000
191	C	A	0.0000
192	I	A	-1.0014
193	L	A	0.0000
194	E	A	-1.9371
195	P	A	-1.3549
196	R	A	-1.7895
197	N	A	-2.5691
198	G	A	0.0000
199	T	A	-1.9713
200	R	A	-2.4409
201	C	A	0.0000
202	P	A	0.0000
203	N	A	-2.2658
204	H	A	-2.4680
205	Q	A	-2.9453
206	D	A	-3.1303
207	Y	A	0.0000
208	T	A	-0.9736
209	S	A	-0.5888
210	Y	A	0.0000
211	V	A	0.0000
212	I	A	0.0000
213	W	A	-0.0625
214	E	A	0.0000
215	T	A	-0.5922
216	P	A	-0.6655
217	H	A	-1.1445
223	S	A	0.1455
224	V	A	0.4018
225	N	A	-1.3851
226	R	A	-1.9366
227	N	A	-1.9933
228	A	A	-1.2198
229	T	A	0.0000
230	L	A	0.0000
231	N	A	-1.6713
232	S	A	0.0000
233	F	A	0.0000
234	K	A	-1.1913
235	V	A	0.0000
236	S	A	0.0000
237	F	A	0.0000
238	N	A	-1.2188
239	L	A	-1.3509
240	R	A	-2.2975
241	Q	A	-2.6840
242	C	A	0.0000
243	K	A	-2.5381
244	F	A	-1.1310
245	M	A	-0.5204
246	R	A	-0.4539
247	T	A	-0.4372
248	Y	A	-0.4941
249	N	A	-1.3236
250	I	A	-1.0405
251	S	A	-1.4967
252	D	A	-2.2965
253	D	A	-1.8523
254	E	A	-1.7924
255	N	A	-1.1094
256	Q	A	-0.5756
257	E	A	0.0000
258	W	A	0.0000
259	F	A	0.0000
260	G	A	0.0000
261	I	A	0.0000
262	T	A	0.0000
263	Q	A	-1.0175
264	N	A	-1.3714
265	A	A	-0.6957
266	Q	A	0.0000
267	G	A	0.0000
268	V	A	0.0000
269	H	A	-0.2663
270	L	A	0.0000
271	Y	A	0.0992
272	S	A	-0.2632
273	S	A	0.0000
274	R	A	-0.7381
275	K	A	-1.5706
276	G	A	-0.8572
277	D	A	0.0000
278	L	A	0.4273
279	Y	A	1.2522
280	G	A	0.5910
281	G	A	0.2993
282	N	A	0.0000
283	M	A	0.0000
284	F	A	0.0000
285	L	A	0.2474
286	F	A	0.0860
287	D	A	-0.0358
288	T	A	-0.1518
289	L	A	0.0000
290	P	A	-0.2583
291	V	A	0.0000
292	Y	A	-0.4815
293	E	A	-1.1250
294	T	A	-0.9548
295	L	A	0.0000
296	K	A	-1.3059
297	Y	A	-0.3253
298	Y	A	0.0000
299	T	A	0.0000
300	V	A	0.0000
301	I	A	0.0000
302	P	A	0.0000
303	R	A	0.0000
304	S	A	0.0000
305	L	A	0.0000
306	R	A	-0.5617
307	S	A	0.0000
308	R	A	-0.8067
309	L	A	0.3304
310	N	A	-1.2039
311	E	A	-1.4016
312	R	A	0.0000
313	Q	A	-0.6065
314	A	A	0.0000
315	W	A	0.0453
316	A	A	0.0000
317	A	A	0.0000
318	F	A	0.0000
319	Y	A	0.0000
320	V	A	0.0000
321	Y	A	0.0000
322	S	A	-0.6353
323	L	A	0.0000
324	H	A	-1.3948
325	K	A	-1.9544
326	L	A	-1.0537
327	T	A	-0.4799
328	Y	A	0.0000
329	L	A	0.0000
330	L	A	0.0000
331	D	A	-0.7072
332	F	A	0.0000
333	S	A	-0.4138
334	V	A	0.5945
335	D	A	-1.0906
336	G	A	0.0000
337	Y	A	-0.5671
338	V	A	0.0000
339	R	A	-0.6535
340	R	A	-0.2775
341	A	A	0.0000
342	I	A	0.5560
343	D	A	0.0000
344	C	A	-0.0994
345	G	A	-0.2554
346	Y	A	0.4079
347	D	A	-0.2372
348	D	A	-0.3456
349	V	A	-0.0981
350	A	A	0.0000
351	Q	A	-0.2620
352	L	A	0.0000
353	F	A	-0.3560
354	C	A	0.0000
355	S	A	-0.6329
356	Y	A	-0.7385
357	E	A	-1.1890
358	S	A	-0.8399
359	F	A	-0.8901
360	D	A	-2.3079
361	V	A	0.0000
362	D	A	-2.4561
363	S	A	-1.8691
364	G	A	0.0000
365	V	A	-0.0221
366	Y	A	0.0000
367	S	A	-0.2098
368	V	A	0.1240
369	S	A	0.0713
370	S	A	0.6448
371	F	A	1.5480
372	E	A	-0.0407
373	A	A	-0.5239
374	Q	A	-1.4328
375	P	A	-1.5827
376	R	A	-2.0993
377	G	A	-1.0997
378	Y	A	-0.1155
379	F	A	0.0000
380	V	A	0.0000
381	E	A	-1.5909
382	Q	A	-1.4956
383	P	A	-1.3512
384	H	A	-1.2722
385	S	A	-1.3372
386	S	A	-1.7774
387	E	A	-2.5445
388	C	A	0.0000
389	D	A	-2.2973
390	F	A	0.0000
391	S	A	-0.7374
392	A	A	-0.5607
393	M	A	0.0000
394	F	A	0.0058
395	S	A	-0.5013
396	S	A	-0.8119
397	Q	A	-1.3811
398	P	A	0.0000
399	P	A	-0.6577
400	Q	A	-0.5612
401	V	A	0.0000
402	Y	A	0.0000
403	N	A	-0.8970
404	F	A	0.0000
405	S	A	-0.2177
406	R	A	0.0000
407	L	A	0.1808
408	V	A	0.2679
409	F	A	0.0000
410	T	A	-0.4327
411	N	A	-1.3100
412	C	A	0.0000
413	N	A	-1.1396
414	Y	A	0.0000
415	N	A	-0.9648
416	L	A	-0.3491
417	T	A	-0.6140
418	R	A	-1.3568
419	L	A	-0.3388
420	L	A	0.0634
421	S	A	-0.2648
422	L	A	0.0644
423	F	A	0.0404
424	Q	A	-0.2681
425	V	A	0.0713
426	S	A	-0.0664
427	E	A	-0.1203
428	F	A	0.2511
429	S	A	-0.0323
430	C	A	0.0681
431	H	A	-0.3388
432	Q	A	-0.8689
433	V	A	0.0000
434	S	A	0.0000
435	P	A	-0.1939
436	S	A	-0.4450
437	A	A	0.0000
438	L	A	0.0000
439	A	A	0.0000
440	S	A	-0.3351
441	G	A	-0.3106
442	C	A	0.1189
443	Y	A	0.0000
444	S	A	0.0000
445	S	A	0.0000
446	L	A	0.0000
447	T	A	0.0000
448	V	A	0.0000
449	D	A	0.0000
450	Y	A	0.0000
451	F	A	0.0000
452	A	A	0.0000
453	Y	A	0.0000
454	P	A	0.0000
455	L	A	0.1455
456	S	A	-0.1114
457	M	A	0.0000
458	A	A	-0.1008
459	S	A	0.0000
460	Y	A	0.0000
461	L	A	0.0000
462	R	A	-1.0996
463	Q	A	-1.5162
464	G	A	0.0000
465	S	A	-0.6496
466	T	A	-0.3974
467	G	A	-0.1046
468	P	A	-0.0935
469	I	A	0.0000
470	A	A	-0.8117
471	Q	A	-0.4647
472	F	A	0.0000
473	N	A	0.0000
474	Y	A	0.0000
475	K	A	-1.8490
476	Q	A	-1.3739
477	D	A	-1.1868
478	F	A	-0.3687
479	T	A	-0.2130
480	N	A	-0.4290
481	P	A	-0.3674
482	T	A	0.0000
483	C	A	0.0000
484	R	A	0.0000
485	I	A	0.4371
486	L	A	0.0000
487	A	A	0.0000
488	A	A	-0.2707
489	V	A	0.0000
490	P	A	-0.5473
491	S	A	-0.2201
492	N	A	-0.7931
493	V	A	1.1515
494	T	A	0.5108
495	I	A	0.0000
496	P	A	-0.3669
497	L	A	-0.5891
498	P	A	0.0000
499	Q	A	-1.0033
500	S	A	0.0000
501	Y	A	0.0000
502	M	A	0.0161
503	W	A	0.0000
504	L	A	0.0000
505	T	A	-0.1700
506	Q	A	-0.2509
507	C	A	0.0000
508	Y	A	-0.6162
509	T	A	-0.8975
510	N	A	-1.6285
511	S	A	-1.2129
512	P	A	-1.2035
513	S	A	-1.2077
514	N	A	-1.7306
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