Project name: 59e810e2ddcc98f

Chain sequence(s)	A: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR; C: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR; B: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR; E: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR; D: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR; G: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR; F: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR; H: ICASVLQHAYCGSRKKTIEHTANLLEQALKKHPKTNLVVLQELNPYSYFCQSENPKFFDLGEYFEEDKAFFSALAQKFQVVLVASLFEKRAKGLYHNSAVVFEKDGSIAGVYRKMHIPDDPGFYEKFYFTPGDLGFEPIVTSVGKLGLMVCWDQWYPEAARIMALKGAEILIYPSAIGFLEEDSNEEKKRQQNAWETIQRGHAIANGLPLIATNRVGVELDPSGAIKGGITFFGSSFVVGALGEFLAKASDKEEILYAEIDLERTEEVRRMWPFLRDRRIDFYNDLLKR
Selected Chain(s)	A,B,C,D,E,F,G,H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:32:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:33:30)

• Minimal score value: -5.0178
• Maximal score value: 2.2624
• Average score: -0.4865
• Total score value: -1124.8007

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
2	I	A	-0.9069
3	C	A	-0.8539
4	A	A	0.0000
5	S	A	0.0000
6	V	A	0.0000
7	L	A	0.0000
8	Q	A	0.0000
9	H	A	0.0000
10	A	A	-0.5669
11	Y	A	0.0420
12	C	A	-0.5394
13	G	A	-0.7264
14	S	A	-1.3370
15	R	A	-1.9908
16	K	A	-3.2187
17	K	A	-3.1268
18	T	A	0.0000
19	I	A	0.0000
20	E	A	-3.3964
21	H	A	-2.4257
22	T	A	0.0000
23	A	A	-1.6462
24	N	A	-2.2948
25	L	A	-1.7163
26	L	A	0.0000
27	E	A	-1.9952
28	Q	A	-1.9984
29	A	A	0.0000
30	L	A	-1.9338
31	K	A	-2.6777
32	K	A	-1.8437
33	H	A	-1.5838
34	P	A	-2.0753
35	K	A	-2.2070
36	T	A	-1.1518
37	N	A	0.0000
38	L	A	0.0000
39	V	A	0.0000
40	V	A	0.0000
41	L	A	0.0000
42	Q	A	0.0000
43	E	A	0.0000
44	L	A	0.0000
45	N	A	0.0000
46	P	A	0.0000
47	Y	A	-0.4160
48	S	A	0.3306
49	Y	A	0.0000
50	F	A	0.0000
51	C	A	0.0000
52	Q	A	-0.5908
53	S	A	0.0000
54	E	A	-1.7059
55	N	A	-1.3577
56	P	A	-1.2383
57	K	A	-2.0483
58	F	A	-0.8968
59	F	A	-0.5585
60	D	A	-1.5536
61	L	A	-0.3578
62	G	A	0.0000
63	E	A	-1.4171
64	Y	A	-0.2785
65	F	A	-0.8443
66	E	A	-2.3469
67	E	A	-2.1730
68	D	A	0.0000
69	K	A	-0.6891
70	A	A	-0.3402
71	F	A	0.2571
72	F	A	0.0000
73	S	A	-0.2756
74	A	A	-0.8462
75	L	A	-1.0167
76	A	A	0.0000
77	Q	A	-3.1242
78	K	A	-2.7625
79	F	A	-2.3088
80	Q	A	-2.8744
81	V	A	0.0000
82	V	A	0.0000
83	L	A	0.0000
84	V	A	0.0000
85	A	A	0.0000
86	S	A	0.0000
87	L	A	0.0000
88	F	A	0.0000
89	E	A	-0.6441
90	K	A	-1.3778
91	R	A	-1.3865
92	A	A	-1.1229
93	K	A	-1.9157
94	G	A	-1.1340
95	L	A	-0.5919
96	Y	A	-0.3386
97	H	A	0.0000
98	N	A	0.0000
99	S	A	0.0000
100	A	A	0.0000
101	V	A	0.0000
102	V	A	0.0000
103	F	A	0.0000
104	E	A	-0.5924
105	K	A	0.0000
106	D	A	-2.7558
107	G	A	0.0000
108	S	A	0.0003
109	I	A	1.6705
110	A	A	1.2848
111	G	A	0.6188
112	V	A	0.6955
113	Y	A	0.0000
114	R	A	-0.2452
115	K	A	0.0000
116	M	A	0.0000
117	H	A	0.0000
118	I	A	0.0000
119	P	A	0.0000
120	D	A	-1.0950
121	D	A	-1.2754
122	P	A	-0.5076
123	G	A	-0.4277
124	F	A	-0.1053
125	Y	A	-0.1414
126	E	A	0.0000
127	K	A	-0.9378
128	F	A	0.3903
129	Y	A	0.0000
130	F	A	0.0000
131	T	A	-0.2598
132	P	A	-0.4872
133	G	A	0.0000
134	D	A	-0.7358
135	L	A	0.0460
136	G	A	-0.5756
137	F	A	0.0000
138	E	A	-0.5298
139	P	A	-0.1394
140	I	A	0.6809
141	V	A	1.5382
142	T	A	0.0000
143	S	A	-0.2267
144	V	A	0.0949
145	G	A	0.2737
146	K	A	0.3228
147	L	A	0.0000
148	G	A	0.0000
149	L	A	0.0000
150	M	A	0.0000
151	V	A	0.0000
152	C	A	0.0000
153	W	A	0.0000
154	D	A	0.0000
155	Q	A	0.0000
156	W	A	0.0000
157	Y	A	0.0000
158	P	A	0.0000
159	E	A	0.0000
160	A	A	0.0000
161	A	A	0.0000
162	R	A	0.0000
163	I	A	0.0000
164	M	A	0.0000
165	A	A	0.0000
166	L	A	0.0000
167	K	A	-0.9145
168	G	A	-0.3884
169	A	A	0.0000
170	E	A	-0.5982
171	I	A	0.0000
172	L	A	0.0000
173	I	A	0.0000
174	Y	A	0.0000
175	P	A	0.0000
176	S	A	0.0000
177	A	A	0.0000
178	I	A	0.2721
179	G	A	0.0103
180	F	A	-0.5842
181	L	A	-0.5514
182	E	A	-1.6133
183	E	A	-3.3385
184	D	A	-4.0057
185	S	A	-3.8409
186	N	A	-3.8286
187	E	A	-4.6766
188	E	A	-5.0178
189	K	A	-4.7194
190	K	A	-4.0688
191	R	A	-3.5948
192	Q	A	-1.9251
193	Q	A	-1.5718
194	N	A	-1.7364
195	A	A	0.0000
196	W	A	0.0000
197	E	A	0.0000
198	T	A	0.0000
199	I	A	0.0000
200	Q	A	0.0000
201	R	A	-0.3214
202	G	A	0.0000
203	H	A	0.0000
204	A	A	0.0000
205	I	A	0.0000
206	A	A	0.0000
207	N	A	0.0000
208	G	A	0.0616
209	L	A	0.0000
210	P	A	0.0000
211	L	A	0.0000
212	I	A	0.0000
213	A	A	0.0000
214	T	A	0.0000
215	N	A	0.0000
216	R	A	0.0000
217	V	A	0.0000
218	G	A	0.0894
219	V	A	2.1137
220	E	A	0.0000
221	L	A	1.0190
222	D	A	-0.1422
223	P	A	-0.6130
224	S	A	-0.5939
225	G	A	-0.5387
226	A	A	0.1421
227	I	A	0.9011
228	K	A	-0.8495
229	G	A	-0.2631
230	G	A	0.2518
231	I	A	1.1043
232	T	A	0.9411
233	F	A	0.0000
234	F	A	-0.5337
235	G	A	0.0000
236	S	A	0.0000
237	S	A	0.0000
238	F	A	0.0000
239	V	A	0.0000
240	V	A	0.0000
241	G	A	0.0000
242	A	A	0.1218
243	L	A	0.1103
244	G	A	0.0000
245	E	A	-0.5860
246	F	A	0.1979
247	L	A	0.7195
248	A	A	0.3685
249	K	A	-0.5635
250	A	A	0.0000
251	S	A	-2.1020
252	D	A	-3.1331
253	K	A	-3.5907
254	E	A	-3.1611
255	E	A	-1.8772
256	I	A	-0.4068
257	L	A	0.3703
258	Y	A	0.7154
259	A	A	0.1031
260	E	A	-1.5989
261	I	A	-1.7501
262	D	A	-2.8066
263	L	A	0.0000
264	E	A	-2.8894
265	R	A	-2.4388
266	T	A	-1.6730
267	E	A	-1.6580
268	E	A	-1.4838
269	V	A	-0.6540
270	R	A	0.0000
271	R	A	0.0000
272	M	A	0.0000
273	W	A	0.0221
274	P	A	0.0000
275	F	A	0.0000
276	L	A	0.0000
277	R	A	0.0000
278	D	A	0.0000
279	R	A	0.0000
280	R	A	0.0000
281	I	A	-0.6487
282	D	A	-1.3240
283	F	A	-0.3910
284	Y	A	0.0000
285	N	A	-2.0119
286	D	A	-2.1295
287	L	A	0.0000
288	L	A	-1.9740
289	K	A	-3.0754
290	R	A	-3.0563
2	I	B	-0.6607
3	C	B	0.0000
4	A	B	0.0000
5	S	B	0.0000
6	V	B	0.0000
7	L	B	0.0000
8	Q	B	0.0000
9	H	B	0.0000
10	A	B	-0.3926
11	Y	B	0.1626
12	C	B	-0.3026
13	G	B	-0.7229
14	S	B	-1.2899
15	R	B	-2.1382
16	K	B	-3.2410
17	K	B	-3.1439
18	T	B	0.0000
19	I	B	0.0000
20	E	B	-3.3292
21	H	B	-2.4158
22	T	B	0.0000
23	A	B	-1.8011
24	N	B	-2.3504
25	L	B	-1.7623
26	L	B	0.0000
27	E	B	-2.3456
28	Q	B	-2.3396
29	A	B	0.0000
30	L	B	-2.0928
31	K	B	-3.1615
32	K	B	-2.7223
33	H	B	-2.1329
34	P	B	-1.8779
35	K	B	-2.2502
36	T	B	-1.3234
37	N	B	0.0000
38	L	B	0.0000
39	V	B	0.0000
40	V	B	0.0000
41	L	B	0.0000
42	Q	B	0.0000
43	E	B	0.0000
44	L	B	0.0000
45	N	B	0.0000
46	P	B	-0.7013
47	Y	B	-0.0436
48	S	B	0.5438
49	Y	B	0.0000
50	F	B	0.0000
51	C	B	0.0000
52	Q	B	0.0000
53	S	B	0.0000
54	E	B	-0.6359
55	N	B	-1.0717
56	P	B	-1.0948
57	K	B	-1.8084
58	F	B	-0.6794
59	F	B	0.0000
60	D	B	-1.1473
61	L	B	0.0884
62	G	B	0.0000
63	E	B	-0.3215
64	Y	B	0.8738
65	F	B	1.4461
66	E	B	-0.2831
67	E	B	-1.4640
68	D	B	0.0000
69	K	B	0.0000
70	A	B	0.1552
71	F	B	-0.1601
72	F	B	0.0000
73	S	B	-0.4835
74	A	B	-0.9985
75	L	B	0.0000
76	A	B	0.0000
77	Q	B	-3.0130
78	K	B	-2.6649
79	F	B	-1.8714
80	Q	B	-2.2848
81	V	B	0.0000
82	V	B	0.0000
83	L	B	0.0000
84	V	B	0.0000
85	A	B	0.0000
86	S	B	0.0000
87	L	B	0.0000
88	F	B	0.0000
89	E	B	0.0000
90	K	B	-0.1624
91	R	B	-0.2835
92	A	B	-0.2835
93	K	B	0.0000
94	G	B	0.0000
95	L	B	0.0000
96	Y	B	0.0000
97	H	B	0.0000
98	N	B	0.0000
99	S	B	0.0000
100	A	B	0.0000
101	V	B	0.0000
102	V	B	0.0000
103	F	B	0.0000
104	E	B	-0.5968
105	K	B	0.0000
106	D	B	-2.7033
107	G	B	-1.5148
108	S	B	-0.1995
109	I	B	1.3585
110	A	B	1.0273
111	G	B	0.4342
112	V	B	0.5236
113	Y	B	0.0000
114	R	B	0.0000
115	K	B	0.0000
116	M	B	0.0000
117	H	B	0.0000
118	I	B	0.0000
119	P	B	0.0000
120	D	B	0.0000
121	D	B	0.0000
122	P	B	0.0000
123	G	B	0.0000
124	F	B	0.0000
125	Y	B	0.1291
126	E	B	0.0000
127	K	B	0.0000
128	F	B	0.0000
129	Y	B	0.0000
130	F	B	0.0000
131	T	B	0.0000
132	P	B	-0.0496
133	G	B	0.0000
134	D	B	-0.2064
135	L	B	0.6628
136	G	B	-0.1505
137	F	B	0.0000
138	E	B	-0.6579
139	P	B	-0.3420
140	I	B	0.0000
141	V	B	1.3892
142	T	B	0.0000
143	S	B	-0.1208
144	V	B	0.5791
145	G	B	0.3501
146	K	B	-0.0062
147	L	B	0.0000
148	G	B	0.0000
149	L	B	0.0000
150	M	B	0.0000
151	V	B	0.0000
152	C	B	0.0000
153	W	B	0.0000
154	D	B	0.0000
155	Q	B	0.0000
156	W	B	0.0000
157	Y	B	0.0000
158	P	B	0.0000
159	E	B	0.0000
160	A	B	0.0000
161	A	B	0.0000
162	R	B	0.0000
163	I	B	0.0000
164	M	B	0.0000
165	A	B	0.0000
166	L	B	-0.9279
167	K	B	-1.4377
168	G	B	-0.4974
169	A	B	0.0000
170	E	B	-0.8115
171	I	B	0.0000
172	L	B	0.0000
173	I	B	0.0000
174	Y	B	0.0000
175	P	B	0.0000
176	S	B	0.0000
177	A	B	0.0000
178	I	B	0.0000
179	G	B	0.0000
180	F	B	-0.0673
181	L	B	0.0000
182	E	B	-1.1523
183	E	B	-1.6564
184	D	B	-2.0553
185	S	B	-1.9538
186	N	B	-2.9333
187	E	B	-3.3755
188	E	B	-2.4201
189	K	B	0.0000
190	K	B	-2.4384
191	R	B	-2.7622
192	Q	B	0.0000
193	Q	B	-1.1208
194	N	B	-1.8162
195	A	B	0.0000
196	W	B	0.0000
197	E	B	-0.6975
198	T	B	0.0000
199	I	B	0.0000
200	Q	B	0.0000
201	R	B	-0.3275
202	G	B	0.0000
203	H	B	0.0000
204	A	B	0.0000
205	I	B	0.0000
206	A	B	0.0000
207	N	B	0.0000
208	G	B	0.0000
209	L	B	0.0000
210	P	B	0.0000
211	L	B	0.0000
212	I	B	0.0000
213	A	B	0.0000
214	T	B	0.0000
215	N	B	0.0000
216	R	B	0.0000
217	V	B	0.0000
218	G	B	0.4899
219	V	B	2.2624
220	E	B	0.0000
221	L	B	1.3274
222	D	B	0.0000
223	P	B	-0.1655
224	S	B	-0.2158
225	G	B	-0.7798
226	A	B	0.2623
227	I	B	1.0217
228	K	B	-0.6315
229	G	B	-0.3513
230	G	B	0.1820
231	I	B	0.0000
232	T	B	1.2797
233	F	B	0.0000
234	F	B	0.6581
235	G	B	0.0000
236	S	B	-0.9575
237	S	B	0.0000
238	F	B	0.0000
239	V	B	0.0000
240	V	B	0.0000
241	G	B	0.0000
242	A	B	0.0165
243	L	B	-0.0217
244	G	B	0.0000
245	E	B	-0.1912
246	F	B	0.5383
247	L	B	1.2155
248	A	B	0.3939
249	K	B	-1.0293
250	A	B	0.0000
251	S	B	-1.7908
252	D	B	-2.3020
253	K	B	-3.1876
254	E	B	-3.0233
255	E	B	-1.8509
256	I	B	-0.3954
257	L	B	0.2929
258	Y	B	0.6056
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