Project name: 4d3ae6b2de516af

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:36:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:36:58)

• Minimal score value: -3.4864
• Maximal score value: 2.2222
• Average score: -0.7266
• Total score value: -1392.985

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
1	K	A	-1.4326
2	L	A	0.0825
3	S	A	0.0326
4	G	A	-0.1375
5	Y	A	0.7961
6	G	A	-0.0683
7	Q	A	-0.6554
8	P	A	0.0000
9	I	A	-0.3061
10	A	A	-0.1453
11	S	A	-0.0618
12	T	A	0.3048
13	L	A	0.8334
14	S	A	-0.2884
15	N	A	-0.9004
16	I	A	-0.4857
17	T	A	-0.4501
18	L	A	0.0000
19	P	A	0.2084
20	M	A	-0.1950
21	Q	A	-1.1904
22	D	A	-2.3535
23	N	A	-2.3767
24	N	A	-1.9267
25	T	A	-0.9823
26	D	A	-1.1973
27	V	A	-0.3345
28	Y	A	-0.1027
29	C	A	-0.3739
30	I	A	0.0000
31	R	A	-2.3522
32	S	A	-2.1025
33	N	A	-2.6252
34	Q	A	-1.7050
35	F	A	0.0000
36	S	A	-0.0872
37	V	A	0.2317
38	Y	A	0.8182
39	V	A	0.7124
40	H	A	-0.1291
41	S	A	-0.3614
42	T	A	-1.1840
43	C	A	-1.8805
44	K	A	-3.1813
45	S	A	0.0000
46	S	A	0.0000
47	L	A	0.4544
48	W	A	0.5390
49	D	A	-1.1609
50	N	A	-0.8684
51	I	A	0.5055
52	F	A	-0.9510
53	N	A	-2.1487
54	Q	A	-2.7185
55	D	A	-3.4864
56	C	A	-2.9270
57	T	A	-2.2093
58	D	A	-2.4096
59	V	A	-1.6270
60	L	A	0.0000
61	E	A	-3.2012
62	A	A	-2.0169
63	T	A	-1.1075
64	A	A	-0.2489
65	V	A	-0.3136
66	I	A	-0.3454
67	K	A	-1.0418
68	T	A	-1.1866
69	G	A	-0.9947
70	T	A	-0.7940
71	C	A	0.0000
72	P	A	-0.5102
73	F	A	0.0000
74	S	A	-1.2705
75	F	A	0.0000
76	D	A	-1.8415
77	K	A	-2.1541
78	L	A	0.0000
79	N	A	-0.7646
80	N	A	-0.9141
81	Y	A	0.1651
82	L	A	-0.2065
83	T	A	-1.3805
84	F	A	0.0000
85	N	A	-2.8680
86	K	A	-2.5035
87	F	A	0.0000
88	C	A	0.0000
89	L	A	0.0000
90	S	A	0.0000
91	L	A	-0.3089
92	S	A	-0.0709
93	P	A	0.0537
94	V	A	-0.5008
95	G	A	-1.0319
96	A	A	-0.5559
97	N	A	-1.2926
98	C	A	0.0000
99	K	A	-1.0564
100	F	A	0.0000
101	D	A	-0.8283
102	V	A	0.0000
103	A	A	0.0000
104	A	A	-1.0410
105	R	A	-2.1312
106	T	A	0.0000
107	R	A	-3.0261
108	T	A	-1.5319
109	N	A	-1.6993
110	E	A	-1.8138
111	Q	A	-0.6837
112	V	A	-0.0851
113	V	A	0.0000
114	R	A	-0.9908
115	S	A	-0.7203
116	L	A	0.0000
117	Y	A	-0.4009
118	V	A	0.0000
119	I	A	-0.3278
120	Y	A	-1.4071
121	E	A	-2.8405
122	E	A	-3.1345
123	G	A	-2.5102
124	D	A	-2.2461
125	N	A	-2.6243
126	I	A	0.0000
127	V	A	0.0000
128	G	A	0.0000
129	V	A	-0.4349
130	P	A	-0.8471
131	S	A	-1.2272
132	D	A	-2.5128
133	N	A	-2.3420
134	S	A	-1.8621
135	G	A	-1.6800
136	L	A	-0.9402
137	H	A	-1.5306
138	D	A	-1.6113
139	L	A	0.3809
140	S	A	0.3171
141	V	A	1.2577
142	L	A	1.6424
143	H	A	0.2461
144	L	A	0.8173
145	D	A	-1.0227
146	S	A	-0.8434
147	C	A	-0.0368
148	T	A	-0.6640
149	D	A	-1.1602
150	Y	A	0.5088
151	N	A	-0.0128
152	I	A	1.5577
153	Y	A	1.7927
154	Y	A	0.9541
155	H	A	-0.3489
156	W	A	-0.6115
157	M	A	-0.5654
158	N	A	-0.1618
159	V	A	0.0000
160	T	A	0.0000
161	L	A	0.0000
162	H	A	-0.6718
163	V	A	0.0000
164	V	A	-0.5779
165	L	A	0.0000
166	N	A	-1.6656
167	D	A	0.0000
168	T	A	-1.8382
169	E	A	-3.0108
170	K	A	-3.0228
171	K	A	-3.2463
172	Y	A	-2.4329
173	D	A	-2.9263
174	I	A	0.0000
175	I	A	0.0000
176	L	A	-0.8232
177	A	A	-1.3332
178	K	A	-1.9566
179	A	A	-1.3047
180	P	A	-1.1447
181	E	A	-1.2500
182	L	A	0.0000
183	A	A	-0.8297
184	A	A	-0.5849
185	L	A	-0.8088
186	A	A	-1.0899
187	D	A	-1.9047
188	V	A	0.0000
189	H	A	-0.8580
190	F	A	0.0000
191	E	A	-0.3661
192	I	A	0.0083
193	A	A	-0.1542
194	Q	A	-0.6718
195	A	A	-0.6075
196	N	A	-1.2998
197	G	A	-0.6328
198	S	A	-0.4717
199	V	A	0.2963
200	T	A	-0.1855
201	N	A	-0.9690
202	V	A	-0.2772
203	T	A	-0.6882
204	S	A	-0.2764
205	L	A	0.0000
206	C	A	0.3152
207	V	A	0.0000
208	Q	A	-1.3873
209	A	A	0.0000
210	R	A	-0.9658
211	Q	A	-0.8095
212	L	A	0.0000
213	A	A	0.0000
214	L	A	0.0000
215	F	A	0.3636
216	Y	A	0.0278
217	K	A	-0.2848
218	Y	A	-0.1960
219	T	A	-0.3008
220	S	A	0.0000
221	L	A	-0.0121
222	Q	A	-0.9353
223	G	A	-0.7015
224	L	A	0.0000
225	Y	A	0.0010
226	T	A	0.0000
227	Y	A	0.3238
228	S	A	0.0000
229	N	A	0.0000
230	L	A	0.0393
231	V	A	0.0000
232	E	A	-0.8495
233	L	A	0.0000
234	Q	A	-1.0549
235	N	A	-0.7494
236	Y	A	0.0574
237	D	A	-1.4234
238	C	A	0.0000
239	P	A	-1.2128
240	F	A	0.0000
241	S	A	-1.2556
242	P	A	-0.6638
243	Q	A	-1.4020
244	Q	A	-1.1265
245	F	A	0.0000
246	N	A	-0.8249
247	N	A	-1.0575
248	Y	A	-0.5056
249	L	A	-0.3392
250	Q	A	-1.0893
251	F	A	0.0000
252	E	A	-2.0858
253	T	A	-1.0885
254	L	A	0.0000
255	C	A	0.1011
256	F	A	0.0000
257	D	A	-0.3933
258	V	A	-0.4360
259	N	A	-1.0094
260	P	A	-0.5935
261	A	A	-0.1345
262	V	A	0.1591
263	A	A	0.0579
264	G	A	-0.3062
265	C	A	-0.4387
266	K	A	-0.5449
267	W	A	0.0000
268	S	A	0.0000
269	L	A	0.0000
270	V	A	0.0000
271	H	A	0.0000
272	D	A	0.0000
273	V	A	-0.4056
274	Q	A	-1.1726
275	W	A	-0.6392
276	R	A	-1.3257
277	T	A	-1.2421
278	Q	A	-1.4123
279	F	A	0.0000
280	A	A	-0.4273
281	T	A	-0.3478
282	I	A	0.0000
283	T	A	0.0000
284	V	A	0.0000
285	S	A	0.0352
286	Y	A	-0.4890
287	K	A	-1.9792
288	H	A	-1.7141
289	G	A	-1.3603
290	S	A	-0.8790
291	M	A	-0.5999
292	I	A	0.0000
293	T	A	-0.5111
294	T	A	0.0000
295	H	A	-1.0203
296	A	A	-1.4951
297	K	A	-2.2097
298	G	A	-1.9156
299	H	A	-2.0161
300	S	A	-1.3508
301	W	A	-0.1316
302	G	A	-0.3633
303	F	A	-0.1686
304	Q	A	-1.7234
305	D	A	-1.9698
306	T	A	-1.0268
307	S	A	-0.3085
308	V	A	0.1600
309	K	A	0.1700
310	L	A	1.3425
311	S	A	0.5122
312	G	A	0.1435
313	Y	A	0.6819
314	G	A	-0.0095
315	Q	A	-0.3726
316	P	A	0.0000
317	I	A	0.5541
318	A	A	0.4360
319	S	A	0.1056
320	T	A	-0.1102
321	L	A	-0.3091
322	S	A	-0.6575
323	N	A	-1.1274
324	I	A	-0.5914
325	T	A	-0.4945
326	L	A	0.0000
327	P	A	0.6370
328	M	A	0.2092
329	Q	A	-1.1471
330	D	A	-2.3483
331	N	A	-2.3567
332	N	A	-1.8986
333	T	A	-0.9931
334	D	A	-1.2664
335	V	A	-0.4007
336	Y	A	-0.0852
337	C	A	-0.2949
338	I	A	-1.1947
339	R	A	-2.2681
340	S	A	-2.0394
341	N	A	-2.5911
342	Q	A	-1.6676
343	F	A	0.0000
344	S	A	-0.1379
345	V	A	0.3706
346	Y	A	1.2632
347	V	A	1.1463
348	H	A	-0.0975
349	S	A	-0.2811
350	T	A	-1.0541
351	C	A	-1.7778
352	K	A	-2.8490
353	S	A	0.0000
354	S	A	-0.1831
355	L	A	1.3293
356	W	A	0.8390
357	D	A	-0.6300
358	N	A	-0.8939
359	I	A	0.6735
360	F	A	-0.5360
361	N	A	-2.0255
362	Q	A	-2.6095
363	D	A	-3.3961
364	C	A	-2.5139
365	T	A	-1.9808
366	D	A	-2.1233
367	V	A	-1.0189
368	L	A	-1.3531
369	E	A	-2.8703
370	A	A	-1.6083
371	T	A	-0.7543
372	A	A	0.2795
373	V	A	0.3779
374	I	A	0.2047
375	K	A	-0.2211
376	T	A	-0.8113
377	G	A	-0.5188
378	T	A	-0.5983
379	C	A	0.0000
380	P	A	-0.4746
381	F	A	0.0000
382	S	A	-1.2736
383	F	A	0.0000
384	D	A	-2.6388
385	K	A	-2.7326
386	L	A	0.0000
387	N	A	-1.3552
388	N	A	-1.8117
389	Y	A	-0.1480
390	L	A	-0.4345
391	T	A	-1.4695
392	F	A	0.0000
393	N	A	-2.9701
394	K	A	-2.6045
395	F	A	0.0000
396	C	A	0.0000
397	L	A	0.0000
398	S	A	0.0000
399	L	A	0.0000
400	S	A	-0.1347
401	P	A	-0.1667
402	V	A	-0.5469
403	G	A	-1.0257
404	A	A	-0.6054
405	N	A	-1.2673
406	C	A	0.0000
407	K	A	-0.8586
408	F	A	0.0000
409	D	A	-0.2046
410	V	A	0.0000
411	A	A	0.0000
412	A	A	-0.2696
413	R	A	-1.0418
414	T	A	0.0000
415	R	A	-2.5876
416	T	A	-1.2181
417	N	A	-1.1180
418	E	A	-0.4984
419	Q	A	0.2739
420	V	A	1.2269
421	V	A	0.0000
422	R	A	-0.4521
423	S	A	-0.2954
424	L	A	0.0000
425	Y	A	-0.3928
426	V	A	0.0000
427	I	A	-0.3576
428	Y	A	-1.4680
429	E	A	-2.8945
430	E	A	-3.1679
431	G	A	-2.5515
432	D	A	-2.2362
433	N	A	-2.6447
434	I	A	0.0000
435	V	A	0.0000
436	G	A	0.0000
437	V	A	-0.7454
438	P	A	-1.2813
439	S	A	-1.4747
440	D	A	-2.5824
441	N	A	-2.4067
442	S	A	-1.6642
443	G	A	-1.7102
444	L	A	-0.9157
445	H	A	-1.5155
446	D	A	-1.6384
447	L	A	0.3846
448	S	A	0.5606
449	V	A	1.7143
450	L	A	2.0563
451	H	A	0.4077
452	L	A	0.8803
453	D	A	-1.0254
454	S	A	-0.8770
455	C	A	-0.0649
456	T	A	-0.6763
457	D	A	-1.1052
458	Y	A	0.7119
459	N	A	0.1138
460	I	A	1.9544
461	Y	A	1.6817
462	G	A	0.2234
463	G	A	-0.4837
464	G	A	-1.1858
465	G	A	-1.5602
466	S	A	-1.7451
467	E	A	-2.3202
468	S	A	-1.5345
469	Q	A	-1.7403
470	V	A	-0.6460
471	R	A	-2.3899
472	Q	A	-2.3088
473	Q	A	-2.3285
474	F	A	-2.2445
475	S	A	-2.3305
476	K	A	-3.0695
477	D	A	-3.0342
478	I	A	0.0000
479	E	A	-2.2404
480	K	A	-2.5126
481	L	A	-1.6804
482	L	A	0.0000
483	N	A	0.0000
484	E	A	-1.8184
485	Q	A	0.0000
486	V	A	0.0000
487	N	A	0.0000
488	K	A	-1.3983
489	E	A	0.0000
490	M	A	0.0000
491	Q	A	-0.8042
492	S	A	0.0000
493	S	A	0.0000
494	N	A	-0.5910
495	L	A	0.0000
496	Y	A	0.0000
497	M	A	0.3385
498	S	A	0.0000
499	M	A	0.0000
500	S	A	0.0000
501	S	A	0.2032
502	W	A	-0.6528
503	C	A	0.0000
504	Y	A	0.4494
505	T	A	-0.1635
506	H	A	-0.6446
507	S	A	-0.5229
508	L	A	0.0000
509	D	A	-0.6389
510	G	A	0.0000
511	A	A	0.0000
512	G	A	0.0000
513	L	A	0.3412
514	F	A	0.0000
515	L	A	0.0000
516	F	A	1.3040
517	D	A	-0.3838
518	H	A	0.0000
519	A	A	0.0000
520	A	A	-0.4846
521	E	A	-1.6031
522	E	A	0.0000
523	Y	A	-0.8580
524	E	A	-2.2819
525	H	A	0.0000
526	A	A	0.0000
527	K	A	-1.0963
528	K	A	-0.6919
529	L	A	0.0000
530	I	A	0.2060
531	I	A	0.8098
532	F	A	-0.0837
533	L	A	0.0000
534	N	A	-1.7082
535	E	A	-2.1706
536	N	A	-2.2561
537	N	A	-2.3616
538	V	A	-1.3057
539	P	A	-0.7346
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580	A	C	0.0000
581	I	C	-0.9391
582	K	C	-2.1381
583	S	C	-1.9814
584	K	C	-2.3413
585	D	C	-1.9892
586	H	C	-1.6843
587	A	C	-1.0268
588	T	C	0.0000
589	F	C	-0.5904
590	N	C	-1.1093
591	F	C	-0.1500
592	L	C	0.0000
593	Q	C	0.0000
594	W	C	0.4748
595	Y	C	0.0000
596	V	C	0.0000
597	A	C	-0.0398
598	E	C	-0.4694
599	Q	C	0.0000
600	H	C	0.0000
601	E	C	-0.7226
602	E	C	0.0000
603	E	C	0.0000
604	V	C	-0.3566
605	L	C	-0.7594
606	F	C	0.0000
607	K	C	-2.0869
608	D	C	-2.6283
609	I	C	0.0000
610	L	C	0.0000
611	D	C	-2.7795
612	K	C	-1.9216
613	I	C	0.0000
614	E	C	-2.8024
615	L	C	-1.7315
616	I	C	0.0000
617	G	C	-2.4604
618	N	C	-2.7300
619	E	C	-3.2530
620	N	C	-2.8304
621	H	C	0.0000
622	G	C	0.0000
623	L	C	-0.9681
624	Y	C	0.0000
625	L	C	0.0000
626	A	C	0.0000
627	D	C	0.0000
628	Q	C	-1.0678
629	Y	C	-0.4149
630	V	C	0.0000
631	K	C	-1.5838
632	G	C	-1.5609
633	I	C	-1.4520
634	A	C	0.0000
635	K	C	-3.1846
636	S	C	-2.6310
637	R	C	-3.3748
638	K	C	-3.3085
639	S	C	-2.0434