Project name: 453f89dafc1f494

Chain sequence(s)	A: IRCIGVSNRDFVEGMSGGTWVDVVLEHGGCVTVMAQDKPTVDIELVTTTVSNMAEVRSYCYEASISDMASDSRCPTQGEAYLDKQSDTQYVCKRTLVDRGWGNGCGLFGKGSLVTCAKFACSKKMTGKSIQPENLEYRIMLSVHGSQHSGMIVNDTGHETDENRAKVEITPNSPRAEATLGGFGSLGLDCEPRTGLDFSDLYYLTMNNKHWLVHKEWFHDIPLPWHAGADTGTPHWNNKEALVEFKDAHAKRQTVVVLGSQEGAVHTALAGALEAEMDGAKGRLSSGHLKCRLKMDKLRLKGVSYSLCTAAFTFTKIPAETLHGTVTVEVQYAGTDGPCKVPAQMAVDMQTLTPVGRLITANPVITESTENSKMMLELDPPFGDSYIVIGVGEKKITHHWHRSGSTIGKAFEATVRGAKRMAVLGDTAWDFGSVGGALNSLGKGIHQIFGAAFKSLFGGMSWFSQILIGTLLMWLGLNTKNGSISLMCLALGGVLIFLSTAVSA; C: IRCIGVSNRDFVEGMSGGTWVDVVLEHGGCVTVMAQDKPTVDIELVTTTVSNMAEVRSYCYEASISDMASDSRCPTQGEAYLDKQSDTQYVCKRTLVDRGWGNGCGLFGKGSLVTCAKFACSKKMTGKSIQPENLEYRIMLSVHGSQHSGDENRAKVEITPNSPRAEATLGGFGSLGLDCEPRTGLDFSDLYYLTMNNKHWLVHKEWFHDIPLPWHAGADTGTPHWNNKEALVEFKDAHAKRQTVVVLGSQEGAVHTALAGALEAEMDGAKGRLSSGHLKCRLKMDKLRLKGVSYSLCTAAFTFTKIPAETLHGTVTVEVQYAGTDGPCKVPAQMAVDMQTLTPVGRLITANPVITESTENSKMMLELDPPFGDSYIVIGVGEKKITHHWHRSGSTIGKAFEATVRGAKRMAVLGDTAWDFGSVGGALNSLGKGIHQIFGAAFKSLFGGMSWFSQILIGTLLMWLGLNTKNGSISLMCLALGGVLIFLSTAVSA; B: IRCIGVSNRDFVEGMSGGTWVDVVLEHGGCVTVMAQDKPTVDIELVTTTVSNMAEVRSYCYEASISDMASDSRCPTQGEAYLDKQSDTQYVCKRTLVDRGWGNGCGLFGKGSLVTCAKFACSKKMTGKSIQPENLEYRIMLSVHGSQHSGDENRAKVEITPNSPRAEATLGGFGSLGLDCEPRTGLDFSDLYYLTMNNKHWLVHKEWFHDIPLPWHAGADTGTPHWNNKEALVEFKDAHAKRQTVVVLGSQEGAVHTALAGALEAEMDGAKGRLSSGHLKCRLKMDKLRLKGVSYSLCTAAFTFTKIPAETLHGTVTVEVQYAGTDGPCKVPAQMAVDMQTLTPVGRLITANPVITESTENSKMMLELDPPFGDSYIVIGVGEKKITHHWHRSGSTIGKAFEATVRGAKRMAVLGDTAWDFGSVGGALNSLGKGIHQIFGAAFKSLFGGMSWFSQILIGTLLMWLGLNTKNGSISLMCLALGGVLIFLSTAVSA; E: AVTLPSHSTRKLQTRSQTWLESREYTKHLIRVENWIFRNPGFALAAAAIAWLLGSSTSQKVIYLVMILLIAPAYS; D: AVTLPSHSTRKLQTRSQTWLESREYTKHLIRVENWIFRNPGFALAAAAIAWLLGSSTSQKVIYLVMILLIAPAYS; G: EVQLVESGAEVKKPGASVKVSCKASGYTFTSYAMHWVRQAPGQRLEWMGWINAGNGNTKYSQKFQDRVTITRDTSASTAYMELSSLRSEDTAIYYCARDKVDDYGDYWFPTLWYFDYWGQGTLVTVS; F: AVTLPSHSTRKLQTRSQTWLESREYTKHLIRVENWIFRNPGFALAAAAIAWLLGSSTSQKVIYLVMILLIAPAYS; I: EVQLVESGAEVKKPGASVKVSCKASGYTFTSYAMHWVRQAPGQRLEWMGWINAGNGNTKYSQKFQDRVTITRDTSASTAYMELSSLRSEDTAIYYCARDKVDDYGDYWFPTLWYFDYWGQGTLVTVS; H: SALTQPASVSGSPGQSITISCTGTSSDVGGFNYVSWFQQHPGKAPKLMLYDVTSRPSGVSSRFSGSKSGNTASLTISGLQAEDEADYYCSSHTSRGTWVFGGGTKLTVL; K: EVQLVESGAEVKKPGASVKVSCKASGYTFTSYAMHWVRQAPGQRLEWMGWINAGNGNTKYSQKFQDRVTITRDTSASTAYMELSSLRSEDTAIYYCARDKVDDYGDYWFPTLWYFDYWGQGTLVTVS; M: SALTQPASVSGSPGQSITISCTGTSSDVGGFNYVSWFQQHPGKAPKLMLYDVTSRPSGVSSRFSGSKSGNTASLTISGLQAEDEADYYCSSHTSRGTWVFGGGTKLTVL; L: SALTQPASVSGSPGQSITISCTGTSSDVGGFNYVSWFQQHPGKAPKLMLYDVTSRPSGVSSRFSGSKSGNTASLTISGLQAEDEADYYCSSHTSRGTWVFGGGTKLTVL
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,M,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (01:40:27)
[INFO]       Main:     Simulation completed successfully.                                          (01:42:31)

• Minimal score value: -3.295
• Maximal score value: 3.23
• Average score: -0.4078
• Total score value: -983.545

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	I	A	0.0000
2	R	A	-0.7971
3	C	A	0.0000
4	I	A	0.0000
5	G	A	0.0022
6	V	A	0.1462
7	S	A	-0.2003
8	N	A	-0.4946
9	R	A	-0.0215
10	D	A	0.1924
11	F	A	0.9902
12	V	A	0.0000
13	E	A	-1.6983
14	G	A	-1.5176
15	M	A	0.0000
16	S	A	-0.8071
17	G	A	-0.5274
18	G	A	-0.8449
19	T	A	-1.0310
20	W	A	-0.4686
21	V	A	0.0000
22	D	A	0.0000
23	V	A	0.0000
24	V	A	0.0000
25	L	A	0.0000
26	E	A	-0.5279
27	H	A	-0.4796
28	G	A	-0.5632
29	G	A	-0.4932
30	C	A	0.0000
31	V	A	0.0000
32	T	A	0.0000
33	V	A	0.0000
34	M	A	0.0000
35	A	A	-1.8595
36	Q	A	-2.4873
37	D	A	-2.7676
38	K	A	-2.2637
39	P	A	0.0000
40	T	A	0.0000
41	V	A	0.0000
42	D	A	0.0000
43	I	A	0.0000
44	E	A	-0.4194
45	L	A	0.0000
46	V	A	0.0000
47	T	A	0.0000
48	T	A	0.0000
49	T	A	-0.9560
50	V	A	0.0000
51	S	A	-1.5574
52	N	A	-1.9069
53	M	A	-1.0711
54	A	A	-0.8476
55	E	A	-1.0275
56	V	A	0.0000
57	R	A	-0.5552
58	S	A	0.0000
59	Y	A	0.0000
60	C	A	0.0000
61	Y	A	0.0000
62	E	A	-1.1568
63	A	A	0.0000
64	S	A	-0.3595
65	I	A	-0.2176
66	S	A	-0.8270
67	D	A	-1.3004
68	M	A	-0.4955
69	A	A	-0.6089
70	S	A	-0.4012
71	D	A	0.0000
72	S	A	0.0000
73	R	A	-0.5214
74	C	A	0.0000
75	P	A	-0.5152
76	T	A	-0.5922
77	Q	A	0.0000
78	G	A	-0.8255
79	E	A	-0.8274
80	A	A	0.0000
81	Y	A	-0.8959
82	L	A	-1.2358
83	D	A	-2.5619
84	K	A	-1.8611
85	Q	A	-1.6425
86	S	A	-1.7706
87	D	A	-2.2295
88	T	A	-1.4773
89	Q	A	-1.6566
90	Y	A	0.0000
91	V	A	-1.0204
92	C	A	-0.9078
93	K	A	-1.4504
94	R	A	-0.8522
95	T	A	-0.1738
96	L	A	0.7190
97	V	A	0.0827
98	D	A	-0.5788
99	R	A	-0.5125
100	G	A	0.0000
101	W	A	0.0000
102	G	A	-0.1580
103	N	A	0.0000
104	G	A	0.0000
105	C	A	0.0030
106	G	A	0.0000
107	L	A	-0.0843
108	F	A	0.0000
109	G	A	-0.5168
110	K	A	-1.1161
111	G	A	0.0000
112	S	A	0.0000
113	L	A	0.0000
114	V	A	0.0000
115	T	A	0.0000
116	C	A	0.0000
117	A	A	0.0000
118	K	A	-1.3858
119	F	A	0.0000
120	A	A	-0.4545
121	C	A	-0.4424
122	S	A	-0.7796
123	K	A	-1.1730
124	K	A	-1.0600
125	M	A	0.0000
126	T	A	-0.6094
127	G	A	0.0000
128	K	A	-0.6850
129	S	A	0.0000
130	I	A	0.0000
131	Q	A	-1.3156
132	P	A	-1.5996
133	E	A	-2.0338
134	N	A	-1.9037
135	L	A	0.0000
136	E	A	-1.5757
137	Y	A	0.0000
138	R	A	-1.3747
139	I	A	0.0000
140	M	A	-1.1827
141	L	A	0.0000
142	S	A	0.0000
143	V	A	0.0000
144	H	A	0.0000
145	G	A	-0.2694
146	S	A	-0.4171
147	Q	A	-0.7691
148	H	A	-0.8178
149	S	A	-0.6289
161	D	A	-2.9050
162	E	A	-3.1101
163	N	A	0.0000
164	R	A	-2.2063
165	A	A	-1.7609
166	K	A	-2.2149
167	V	A	0.0000
168	E	A	-2.6759
169	I	A	0.0000
170	T	A	-2.1470
171	P	A	-2.1597
172	N	A	-2.1086
173	S	A	-1.8263
174	P	A	-2.4819
175	R	A	-3.2546
176	A	A	-2.4899
177	E	A	-2.6713
178	A	A	0.0000
179	T	A	-1.4065
180	L	A	0.0000
181	G	A	-1.5693
182	G	A	-1.5054
183	F	A	0.0000
184	G	A	-1.8223
185	S	A	-1.7171
186	L	A	0.0000
187	G	A	-2.2681
188	L	A	0.0000
189	D	A	-2.2085
190	C	A	0.0000
191	E	A	-2.6474
192	P	A	0.0000
193	R	A	-2.8547
194	T	A	-1.7837
195	G	A	-1.4599
196	L	A	-1.2074
197	D	A	-2.1900
198	F	A	0.0000
199	S	A	-1.0248
200	D	A	-1.2121
201	L	A	0.0000
202	Y	A	0.0000
203	Y	A	0.0000
204	L	A	0.0000
205	T	A	0.0000
206	M	A	0.0000
207	N	A	-2.0471
208	N	A	-2.1637
209	K	A	-1.6138
210	H	A	-1.1396
211	W	A	0.0000
212	L	A	0.0000
213	V	A	0.0000
214	H	A	-0.8899
215	K	A	-1.2175
216	E	A	-1.1498
217	W	A	0.0000
218	F	A	0.0000
219	H	A	-0.8962
220	D	A	-0.8700
221	I	A	0.0000
222	P	A	-0.3140
223	L	A	0.0000
224	P	A	0.0000
225	W	A	-0.2618
226	H	A	0.0000
227	A	A	0.0000
228	G	A	-0.7574
229	A	A	0.0000
230	D	A	-1.5026
231	T	A	-1.0872
232	G	A	-1.0287
233	T	A	-0.9389
234	P	A	-0.9434
235	H	A	-1.1436
236	W	A	0.0000
237	N	A	-1.2988
238	N	A	-1.5339
239	K	A	0.0000
240	E	A	-2.2389
241	A	A	-0.9974
242	L	A	0.0000
243	V	A	0.0000
244	E	A	0.0000
245	F	A	0.0000
246	K	A	-0.5281
247	D	A	-0.6731
248	A	A	-0.5980
249	H	A	-0.6661
250	A	A	-0.4706
251	K	A	-0.5125
252	R	A	-0.6321
253	Q	A	0.0000
254	T	A	-0.0887
255	V	A	0.0983
256	V	A	0.0000
257	V	A	0.4012
258	L	A	0.0000
259	G	A	-0.3481
260	S	A	-0.5602
261	Q	A	0.0000
262	E	A	0.0000
263	G	A	0.0000
264	A	A	0.0796
265	V	A	0.0000
266	H	A	0.0000
267	T	A	0.0123
268	A	A	0.0000
269	L	A	0.0000
270	A	A	0.0000
271	G	A	0.0000
272	A	A	0.0000
273	L	A	0.0000
274	E	A	-0.8173
275	A	A	0.0000
276	E	A	-1.8772
277	M	A	-1.7531
278	D	A	-2.3954
279	G	A	-1.5094
280	A	A	-1.3508
281	K	A	-1.8660
282	G	A	0.0000
283	R	A	-1.1570
284	L	A	0.0000
285	S	A	-0.4939
286	S	A	0.0000
287	G	A	0.0000
288	H	A	-0.3601
289	L	A	0.0000
290	K	A	-1.3236
291	C	A	0.0000
292	R	A	-1.7038
293	L	A	0.0000
294	K	A	-1.9229
295	M	A	0.0000
296	D	A	-3.0225
297	K	A	-3.1325
298	L	A	0.0000
299	R	A	-2.8245
300	L	A	-1.2160
301	K	A	-1.0372
302	G	A	0.0000
303	V	A	1.3744
304	S	A	1.1105
305	Y	A	1.4722
306	S	A	0.6083
307	L	A	0.7437
308	C	A	-0.0762
309	T	A	-0.3271
310	A	A	-0.6482
311	A	A	-0.3256
312	F	A	0.0000
313	T	A	0.0991
314	F	A	0.6305
315	T	A	0.1266
316	K	A	0.1892
317	I	A	1.5177
318	P	A	0.0000
319	A	A	0.0000
320	E	A	-0.9220
321	T	A	0.0000
322	L	A	0.4376
323	H	A	-0.8754
324	G	A	-0.5615
325	T	A	-0.5377
326	V	A	0.0000
327	T	A	0.0000
328	V	A	0.0000
329	E	A	-0.2216
330	V	A	0.0000
331	Q	A	-0.7044
332	Y	A	0.0000
333	A	A	-1.1114
334	G	A	-1.5897
335	T	A	0.0000
336	D	A	-2.6809
337	G	A	-1.7538
338	P	A	-0.9460
339	C	A	0.0000
340	K	A	0.3466
341	V	A	0.0000
342	P	A	-0.0242
343	A	A	-0.1116
344	Q	A	0.2693
345	M	A	0.0000
346	A	A	0.0000
347	V	A	0.9836
348	D	A	-0.9857
349	M	A	-0.4205
350	Q	A	-1.0014
351	T	A	-0.0522
352	L	A	1.1490
353	T	A	0.8476
354	P	A	1.0800
355	V	A	1.6052
356	G	A	0.0394
357	R	A	-1.3842
358	L	A	-0.5539
359	I	A	0.0000
360	T	A	0.0000
361	A	A	-0.4885
362	N	A	-0.0129
363	P	A	0.0000
364	V	A	0.0000
365	I	A	0.0000
366	T	A	-1.6511
367	E	A	-2.6796
368	S	A	-2.4170
369	T	A	-2.0484
370	E	A	-2.9074
371	N	A	-2.0118
372	S	A	0.0000
373	K	A	-1.0611
374	M	A	0.0000
375	M	A	0.0000
376	L	A	0.0000
377	E	A	0.0000
378	L	A	0.0000
379	D	A	-0.8800
380	P	A	0.0000
381	P	A	-0.4555
382	F	A	-0.9902
383	G	A	-1.2890
384	D	A	-2.1508
385	S	A	0.0000
386	Y	A	-0.1777
387	I	A	0.0000
388	V	A	0.0000
389	I	A	0.0000
390	G	A	-0.5859
391	V	A	-0.8142
392	G	A	-1.8366
393	E	A	-3.0075
394	K	A	-2.9251
395	K	A	-2.1003
396	I	A	-0.4138
397	T	A	-0.1794
398	H	A	0.2122
399	H	A	-0.8505
400	W	A	-1.0316
401	H	A	-2.1303
402	R	A	-1.7102
403	S	A	-1.2507
404	G	A	-0.8169
405	S	A	-0.0368
406	T	A	0.2979
407	I	A	1.5200
408	G	A	0.0397
409	K	A	-0.9348
410	A	A	0.6389
411	F	A	1.6293
412	E	A	-0.3400
413	A	A	-0.0221
414	T	A	0.5759
415	V	A	1.3276
416	R	A	0.1697
417	G	A	0.1731
418	A	A	0.2294
419	K	A	0.0139
420	R	A	-0.3071
421	M	A	0.0004
422	A	A	0.0000
423	V	A	0.0000
424	L	A	-0.3157
425	G	A	-0.6341
426	D	A	-0.4873
427	T	A	-0.5712
428	A	A	0.0000
429	W	A	-0.0424
430	D	A	0.0000
431	F	A	-0.0906
432	G	A	-0.0398
433	S	A	-0.1034
434	V	A	0.4297
435	G	A	0.1262
436	G	A	0.2338
437	A	A	0.8510
438	L	A	1.6206
439	N	A	0.8377
440	S	A	0.7751
441	L	A	1.9267
442	G	A	1.0671
443	K	A	0.4755
444	G	A	1.3837
445	I	A	2.5629
446	H	A	1.1035
447	Q	A	0.6121
448	I	A	2.2785
449	F	A	1.7804
450	G	A	0.3983
451	A	A	0.3356
452	A	A	0.3390
453	F	A	-0.0531
454	K	A	-1.2700
455	S	A	-0.5832
456	L	A	0.1783
457	F	A	0.0000
458	G	A	-0.7721
459	G	A	0.0000
460	M	A	-0.0509
461	S	A	0.0000
462	W	A	0.6179
463	F	A	0.7939
464	S	A	0.0000
465	Q	A	0.0000
466	I	A	0.9731
467	L	A	0.7361
468	I	A	0.0000
469	G	A	0.0000
470	T	A	0.5429
471	L	A	0.0000
472	L	A	0.0000
473	M	A	1.0908
474	W	A	0.9766
475	L	A	0.0000
476	G	A	1.2793
477	L	A	1.1737
478	N	A	-0.6715
479	T	A	-1.0440
480	K	A	-2.2382
481	N	A	-2.0520
482	G	A	-0.7458
483	S	A	0.3258
484	I	A	1.1159
485	S	A	0.9006
486	L	A	1.9334
487	M	A	2.2361
488	C	A	1.8875
489	L	A	1.8137
490	A	A	1.4402
491	L	A	1.3287
492	G	A	0.0000
493	G	A	1.0594
494	V	A	1.3974
495	L	A	0.0000
496	I	A	1.4902
497	F	A	1.5238
498	L	A	1.1833
499	S	A	0.0000
500	T	A	0.6949
501	A	A	0.0000
502	V	A	0.4558
503	S	A	0.2941
504	A	A	0.1946
1	I	C	0.0000
2	R	C	-0.3692
3	C	C	0.0000
4	I	C	0.0000
5	G	C	0.0000
6	V	C	-0.1328
7	S	C	-0.1148
8	N	C	-0.3810
9	R	C	0.0000
10	D	C	-0.1300
11	F	C	0.4814
12	V	C	0.0000
13	E	C	-1.7009
14	G	C	-1.2131
15	M	C	0.0000
16	S	C	-0.7298
17	G	C	-0.5046
18	G	C	-0.5774
19	T	C	-1.2159
20	W	C	-0.6128
21	V	C	0.0000
22	D	C	-0.4436
23	V	C	0.0000
24	V	C	0.0000
25	L	C	0.0000
26	E	C	0.0000
27	H	C	0.0000
28	G	C	0.0000
29	G	C	0.0000
30	C	C	0.0000
31	V	C	0.0000
32	T	C	0.0000
33	V	C	0.0000
34	M	C	-0.6929
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