Project name: c9e22fbcf198e9

Chain sequence(s)	A: DPNTQLLNDLGNNMAWGAALGAPGGLGSAALGAAGGALQTVGQGLIDHGPVNVPIPVLIGPSWNGSGSGYNSATS; C: EKKLTQSDIRGVFLRSNLFQGSWNFERMQALGFCFSMVPAIRRLYPENNEARKQAIRRHLEFFNTQPFVAAPILGVTLALEEQRANGAEIDDGAINGIKVGLMGPLAGVGDPIFWGTVRPVFAALGAGIAMSGSLLGPLLFFILFNLVRLATRYYGVAYGYSKGIDIVKDMGGGFLQKLTEGASILGLFVMGALVNKWTHVNIPLVVSRITDQTGKEHVTTVQTILDQLMPGLVPLLLTFACMWLLRKKVNPLWIIVGFFVIGIAGYACGLLGL; B: MEITTLQIVLVFIVACIAGMGSILDEFQFHRPLIACTLVGIVLGDMKTGIIIGGTLEMIALGWMNIGAAVAPDAALASIISTILVIAGHQSIGAGIALAIPLAAAGQVLTIIVRTITVAFQHAADKAADNGNLTAISWIHVSSLFLQAMRVAIPAVIVALSVGTSEVQNMLNAIPEVVTNGLNIAGGMIVVVGYAMVINMMRAGYLMPFFYLGFVTAAFTNFNLVALGVIGTVMAVLYIQLSPKYNRV; E: MEITTLQIVLVFIVACIAGMGSILDEFQFHRPLIACTLVGIVLGDMKTGIIIGGTLEMIALGWMNIGAAVAPDAALASIISTILVIAGHQSIGAGIALAIPLAAAGQVLTIIVRTITVAFQHAADKAADNGNLTAISWIHVSSLFLQAMRVAIPAVIVALSVGTSEVQNMLNAIPEVVTNGLNIAGGMIVVVGYAMVINMMRAGYLMPFFYLGFVTAAFTNFNLVALGVIGTVMAVLYIQLSPKYNRV; D: DPNTQLLNDLGNNMAWGAALGAPGGLGSAALGAAGGALQTVGQGLIDHGPVNVPIPVLIGPSWNGSGSGYNSATS; G: DPNTQLLNDLGNNMAWGAALGAPGGLGSAALGAAGGALQTVGQGLIDHGPVNVPIPVLIGPSWNGSGSGYNSATS; F: EKKLTQSDIRGVFLRSNLFQGSWNFERMQALGFCFSMVPAIRRLYPENNEARKQAIRRHLEFFNTQPFVAAPILGVTLALEEQRANGAEIDDGAINGIKVGLMGPLAGVGDPIFWGTVRPVFAALGAGIAMSGSLLGPLLFFILFNLVRLATRYYGVAYGYSKGIDIVKDMGGGFLQKLTEGASILGLFVMGALVNKWTHVNIPLVVSRITDQTGKEHVTTVQTILDQLMPGLVPLLLTFACMWLLRKKVNPLWIIVGFFVIGIAGYACGLLGL; Y: MEITTLQIVLVFIVACIAGMGSILDEFQFHRPLIACTLVGIVLGDMKTGIIIGGTLEMIALGWMNIGAAVAPDAALASIISTILVIAGHQSIGAGIALAIPLAAAGQVLTIIVRTITVAFQHAADKAADNGNLTAISWIHVSSLFLQAMRVAIPAVIVALSVGTSEVQNMLNAIPEVVTNGLNIAGGMIVVVGYAMVINMMRAGYLMPFFYLGFVTAAFTNFNLVALGVIGTVMAVLYIQLSPKYNRV; Z: EKKLTQSDIRGVFLRSNLFQGSWNFERMQALGFCFSMVPAIRRLYPENNEARKQAIRRHLEFFNTQPFVAAPILGVTLALEEQRANGAEIDDGAINGIKVGLMGPLAGVGDPIFWGTVRPVFAALGAGIAMSGSLLGPLLFFILFNLVRLATRYYGVAYGYSKGIDIVKDMGGGFLQKLTEGASILGLFVMGALVNKWTHVNIPLVVSRITDQTGKEHVTTVQTILDQLMPGLVPLLLTFACMWLLRKKVNPLWIIVGFFVIGIAGYACGLLGL
Selected Chain(s)	A,C,B,E,D,G,F,Y,Z
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:13:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:56)

• Minimal score value: -3.9594
• Maximal score value: 3.3504
• Average score: -0.0948
• Total score value: -169.8438

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	M	Y	0.0158
2	E	Y	-1.0390
3	I	Y	0.1497
4	T	Y	0.5492
5	T	Y	1.1216
6	L	Y	2.1819
7	Q	Y	1.5298
8	I	Y	2.1462
9	V	Y	2.6066
10	L	Y	2.3935
11	V	Y	0.0000
12	F	Y	2.4721
13	I	Y	2.1225
14	V	Y	0.0000
15	A	Y	0.0000
16	C	Y	1.6770
17	I	Y	1.2894
18	A	Y	0.0000
19	G	Y	0.0000
20	M	Y	1.1065
21	G	Y	0.0000
22	S	Y	0.0000
23	I	Y	0.0000
24	L	Y	0.0000
25	D	Y	0.0000
26	E	Y	0.0000
27	F	Y	1.0108
28	Q	Y	0.0000
29	F	Y	0.9811
30	H	Y	0.0000
31	R	Y	0.0000
32	P	Y	0.0000
33	L	Y	0.0000
34	I	Y	0.0000
35	A	Y	0.0000
36	C	Y	0.0000
37	T	Y	0.0000
38	L	Y	1.1182
39	V	Y	0.0000
40	G	Y	0.0000
41	I	Y	1.2430
42	V	Y	1.1711
43	L	Y	0.0000
44	G	Y	-0.8051
45	D	Y	-1.7624
46	M	Y	-0.5322
47	K	Y	-1.2253
48	T	Y	-0.4764
49	G	Y	0.0000
50	I	Y	0.0000
51	I	Y	0.4829
52	I	Y	0.0000
53	G	Y	0.0000
54	G	Y	0.0000
55	T	Y	0.5259
56	L	Y	0.0000
57	E	Y	0.0000
58	M	Y	0.6920
59	I	Y	1.3703
60	A	Y	0.0000
61	L	Y	0.5649
62	G	Y	0.0000
63	W	Y	0.2224
64	M	Y	0.0000
65	N	Y	-0.3094
66	I	Y	0.0000
67	G	Y	-0.2142
68	A	Y	0.0000
69	A	Y	0.0000
70	V	Y	0.0000
71	A	Y	0.0000
72	P	Y	0.0000
73	D	Y	0.0000
74	A	Y	0.0000
75	A	Y	0.0000
76	L	Y	0.0000
77	A	Y	0.0000
78	S	Y	0.0000
79	I	Y	0.0000
80	I	Y	0.0000
81	S	Y	0.0000
82	T	Y	0.0000
83	I	Y	0.0000
84	L	Y	0.0000
85	V	Y	0.0000
86	I	Y	-0.3512
87	A	Y	0.0000
88	G	Y	-0.7991
89	H	Y	-1.0487
90	Q	Y	-1.0378
91	S	Y	-0.4986
92	I	Y	0.1773
93	G	Y	-0.2261
94	A	Y	-0.1257
95	G	Y	0.0000
96	I	Y	0.6892
97	A	Y	0.5514
98	L	Y	0.0000
99	A	Y	0.0000
100	I	Y	2.1473
101	P	Y	0.4552
102	L	Y	0.0000
103	A	Y	0.0000
104	A	Y	0.0000
105	A	Y	0.7299
106	G	Y	0.0000
107	Q	Y	0.0000
108	V	Y	1.1879
109	L	Y	1.3253
110	T	Y	0.0000
111	I	Y	1.2952
112	I	Y	1.9213
113	V	Y	0.0000
114	R	Y	0.0000
115	T	Y	1.1339
116	I	Y	1.4761
117	T	Y	0.0000
118	V	Y	0.4822
119	A	Y	0.3731
120	F	Y	0.2958
121	Q	Y	0.0000
122	H	Y	-0.9547
123	A	Y	-0.7923
124	A	Y	0.0000
125	D	Y	-2.3006
126	K	Y	-2.6665
127	A	Y	-2.2491
128	A	Y	0.0000
129	D	Y	-3.2782
130	N	Y	-2.9459
131	G	Y	0.0000
132	N	Y	-1.7808
133	L	Y	0.0000
134	T	Y	-0.1647
135	A	Y	-0.1652
136	I	Y	0.0000
137	S	Y	0.5880
138	W	Y	1.4378
139	I	Y	0.0000
140	H	Y	0.0000
141	V	Y	1.6874
142	S	Y	1.4302
143	S	Y	0.0000
144	L	Y	0.0000
145	F	Y	2.3644
146	L	Y	1.4963
147	Q	Y	0.0000
148	A	Y	1.5831
149	M	Y	1.4528
150	R	Y	0.0000
151	V	Y	0.0000
152	A	Y	0.0000
153	I	Y	2.1623
154	P	Y	1.7206
155	A	Y	0.0000
156	V	Y	2.5467
157	I	Y	3.0256
158	V	Y	0.0000
159	A	Y	0.0000
160	L	Y	2.0909
161	S	Y	0.8396
162	V	Y	0.3531
163	G	Y	-0.5363
164	T	Y	-0.5368
165	S	Y	-1.1093
166	E	Y	-1.4344
167	V	Y	0.0000
168	Q	Y	-1.8291
169	N	Y	-2.0074
170	M	Y	-0.6038
171	L	Y	0.0000
172	N	Y	-1.7591
173	A	Y	-0.7111
174	I	Y	-0.2341
175	P	Y	-1.1723
176	E	Y	-1.8073
177	V	Y	-0.2466
178	V	Y	0.0566
179	T	Y	-0.2054
180	N	Y	-0.4245
181	G	Y	0.0000
182	L	Y	0.0000
183	N	Y	-0.0759
184	I	Y	0.0000
185	A	Y	0.0000
186	G	Y	0.0000
187	G	Y	0.0000
188	M	Y	0.0000
189	I	Y	0.0000
190	V	Y	0.0000
191	V	Y	0.0000
192	V	Y	0.0000
193	G	Y	0.0000
194	Y	Y	0.0000
195	A	Y	0.0000
196	M	Y	0.0000
197	V	Y	0.0000
198	I	Y	0.0000
199	N	Y	-0.7602
200	M	Y	-0.6297
201	M	Y	-0.8406
202	R	Y	-1.7779
203	A	Y	-0.7474
204	G	Y	-0.4391
205	Y	Y	0.6500
206	L	Y	0.0000
207	M	Y	0.2749
208	P	Y	0.6824
209	F	Y	0.0000
210	F	Y	0.0000
211	Y	Y	0.6165
212	L	Y	0.5313
213	G	Y	0.0000
214	F	Y	0.0000
215	V	Y	0.0000
216	T	Y	-0.0287
217	A	Y	-0.2657
218	A	Y	-0.4871
219	F	Y	0.0000
220	T	Y	-0.8655
221	N	Y	-1.2922
222	F	Y	0.0000
223	N	Y	0.0000
224	L	Y	0.0000
225	V	Y	0.7620
226	A	Y	0.0000
227	L	Y	0.0000
228	G	Y	0.4380
229	V	Y	0.5328
230	I	Y	0.6331
231	G	Y	0.0000
232	T	Y	0.5125
233	V	Y	0.0000
234	M	Y	0.7111
235	A	Y	0.0000
236	V	Y	1.3565
237	L	Y	0.8796
238	Y	Y	0.0000
239	I	Y	0.2822
240	Q	Y	0.2749
241	L	Y	0.0000
242	S	Y	0.0000
243	P	Y	-1.8196
244	K	Y	-1.9047
245	Y	Y	-1.3582
246	N	Y	-1.8247
247	R	Y	-1.9538
248	V	Y	0.2975
13	E	Z	-2.7085
14	K	Z	-2.7394
15	K	Z	-2.8140
16	L	Z	-1.4123
17	T	Z	-1.5265
18	Q	Z	-1.9209
19	S	Z	-1.4312
20	D	Z	-1.6203
21	I	Z	0.0000
22	R	Z	-1.8234
23	G	Z	-0.9501
24	V	Z	0.0000
25	F	Z	0.0815
26	L	Z	0.4579
27	R	Z	-0.2736
28	S	Z	0.0000
29	N	Z	0.3759
30	L	Z	0.4480
31	F	Z	0.0000
32	Q	Z	0.0860
33	G	Z	0.0000
34	S	Z	0.0000
35	W	Z	0.0000
36	N	Z	0.0000
37	F	Z	0.0000
38	E	Z	-0.2256
39	R	Z	-0.6489
40	M	Z	0.0000
41	Q	Z	0.0000
42	A	Z	0.0000
43	L	Z	0.0000
44	G	Z	0.0000
45	F	Z	0.0000
46	C	Z	0.0000
47	F	Z	0.0000
48	S	Z	0.0000
49	M	Z	0.0000
50	V	Z	0.0000
51	P	Z	0.0000
52	A	Z	0.0000
53	I	Z	0.0000
54	R	Z	-2.7317
55	R	Z	-2.6409
56	L	Z	0.0000
57	Y	Z	0.0000
58	P	Z	-2.5614
59	E	Z	-3.7241
60	N	Z	-3.9562
61	N	Z	-3.6245
62	E	Z	-3.8210
63	A	Z	-2.6905
64	R	Z	-3.5253
65	K	Z	-3.6873
66	Q	Z	-3.0566
67	A	Z	0.0000
68	I	Z	0.0000
69	R	Z	-2.9419
70	R	Z	0.0000
71	H	Z	0.0000
72	L	Z	0.0000
73	E	Z	-1.6011
74	F	Z	-0.5452
75	F	Z	0.0000
76	N	Z	-0.2608
77	T	Z	0.0000
78	Q	Z	0.0000
79	P	Z	0.0000
80	F	Z	0.0000
81	V	Z	0.3648
82	A	Z	0.0000
83	A	Z	0.0000
84	P	Z	0.3654
85	I	Z	0.0000
86	L	Z	0.0000
87	G	Z	0.0000
88	V	Z	0.0000
89	T	Z	0.0000
90	L	Z	0.0000
91	A	Z	0.0000
92	L	Z	0.0000
93	E	Z	0.0000
94	E	Z	0.0000
95	Q	Z	-1.5297
96	R	Z	-1.8679
97	A	Z	-1.6310
98	N	Z	-2.0130
99	G	Z	-1.6001
100	A	Z	-1.6187
101	E	Z	-2.7330
102	I	Z	0.0000
103	D	Z	-2.8859
104	D	Z	-2.2125
105	G	Z	-1.3966
106	A	Z	-1.2983
107	I	Z	0.0000
108	N	Z	-0.8248
109	G	Z	-0.7401
110	I	Z	0.0000
111	K	Z	0.0000
112	V	Z	0.0000
113	G	Z	0.0000
114	L	Z	0.2778
115	M	Z	0.0000
116	G	Z	0.0000
117	P	Z	0.0000
118	L	Z	0.5249
119	A	Z	0.0000
120	G	Z	0.0000
121	V	Z	0.9001
122	G	Z	0.0000
123	D	Z	0.0000
124	P	Z	0.0000
125	I	Z	0.9441
126	F	Z	0.7732
127	W	Z	0.0000
128	G	Z	0.0000
129	T	Z	0.0000
130	V	Z	0.7711
131	R	Z	0.0000
132	P	Z	0.0000
133	V	Z	0.5423
134	F	Z	0.6808
135	A	Z	0.0000
136	A	Z	0.0000
137	L	Z	0.2207
138	G	Z	0.0000
139	A	Z	0.0000
140	G	Z	0.0000
141	I	Z	0.0000
142	A	Z	0.0000
143	M	Z	0.2368
144	S	Z	-0.0266
145	G	Z	0.0000
146	S	Z	-0.1548
147	L	Z	0.0000
148	L	Z	0.0000
149	G	Z	0.0000
150	P	Z	0.0000
151	L	Z	0.6718
152	L	Z	0.0000
153	F	Z	0.0000
154	F	Z	0.9307
155	I	Z	1.0672
156	L	Z	1.0295
157	F	Z	0.0000
158	N	Z	0.8875
159	L	Z	1.1682
160	V	Z	1.1391
161	R	Z	0.0000
162	L	Z	1.1111
163	A	Z	0.9582
164	T	Z	0.9408
165	R	Z	0.0000
166	Y	Z	1.1891
167	Y	Z	1.4630
168	G	Z	1.0543
169	V	Z	0.0000
170	A	Z	0.6593
171	Y	Z	1.2035
172	G	Z	0.0000
173	Y	Z	0.0325
174	S	Z	-0.5794
175	K	Z	-1.5811
176	G	Z	0.0000
177	I	Z	-1.3583
178	D	Z	-2.7413
179	I	Z	-1.3938
180	V	Z	0.0000
181	K	Z	-3.0259
182	D	Z	-2.6162
183	M	Z	-1.3098
184	G	Z	-0.8481
185	G	Z	-0.9722
186	G	Z	-0.2269
187	F	Z	0.5198
188	L	Z	0.0597
189	Q	Z	-0.8709
190	K	Z	-0.2998
191	L	Z	0.3004
192	T	Z	-0.1797
193	E	Z	0.0000
194	G	Z	0.1489
195	A	Z	0.0000
196	S	Z	0.0000
197	I	Z	0.0000
198	L	Z	0.4686
199	G	Z	0.0000
200	L	Z	0.0000
201	F	Z	0.0000
202	V	Z	0.0000
203	M	Z	0.0000
204	G	Z	0.0000
205	A	Z	0.0000
206	L	Z	0.0000
207	V	Z	0.0000
208	N	Z	-0.2462
209	K	Z	-0.3769
210	W	Z	0.0000
211	T	Z	0.0000
212	H	Z	-0.1479
213	V	Z	0.3061
214	N	Z	0.5268
215	I	Z	1.1380
216	P	Z	1.0187
217	L	Z	1.2343
218	V	Z	0.8360
219	V	Z	0.3718
220	S	Z	0.0000
221	R	Z	-2.2917
222	I	Z	-2.2563
223	T	Z	-2.9499
224	D	Z	-3.7132
225	Q	Z	-3.1611
226	T	Z	-2.1954
227	G	Z	-2.9165
228	K	Z	-3.6514
229	E	Z	-3.6477
230	H	Z	-2.4178
231	V	Z	-0.6374
232	T	Z	0.1264
233	T	Z	0.6457
234	V	Z	0.7499
235	Q	Z	0.2406
236	T	Z	0.1504
237	I	Z	0.2212
238	L	Z	0.1014
239	D	Z	-0.8268
240	Q	Z	-0.4132
241	L	Z	0.0868
242	M	Z	0.0000
243	P	Z	-0.4096
244	G	Z	-0.0233
245	L	Z	0.6797
246	V	Z	0.9582
247	P	Z	0.0000
248	L	Z	0.0000
249	L	Z	2.0067
250	L	Z	1.5402
251	T	Z	0.0000
252	F	Z	1.8850
253	A	Z	1.2855
254	C	Z	0.0000
255	M	Z	0.6291
256	W	Z	0.4809
257	L	Z	-0.4412
258	L	Z	-1.2527
259	R	Z	-2.5129
260	K	Z	-2.9432
261	K	Z	-2.8483
262	V	Z	-1.1208
263	N	Z	-0.7906
264	P	Z	0.1398
265	L	Z	0.9280
266	W	Z	1.6050
267	I	Z	0.0000
268	I	Z	0.0000
269	V	Z	2.5208
270	G	Z	2.1210
271	F	Z	0.0000
272	F	Z	2.3666
273	V	Z	3.3056
274	I	Z	3.2706
275	G	Z	0.0000
276	I	Z	1.8810
277	A	Z	1.8870
278	G	Z	1.7153
279	Y	Z	1.4225
280	A	Z	0.7641
281	C	Z	1.0423
282	G	Z	0.8885
283	L	Z	1.5971
284	L	Z	1.5685
285	G	Z	1.1418
286	L	Z	1.4861
4	D	A	-2.1751
5	P	A	-1.6095
6	N	A	-1.3801
7	T	A	-1.5228
8	Q	A	-2.2523
9	L	A	-1.3467
10	L	A	-0.9065
11	N	A	-2.2946
12	D	A	-2.4073
13	L	A	0.0000
14	G	A	-1.3971
15	N	A	-1.7135
16	N	A	-0.9250
17	M	A	-0.0509
18	A	A	0.3317
19	W	A	1.2453
20	G	A	0.0000
21	A	A	1.2701
22	A	A	1.2349
23	L	A	1.9597
24	G	A	1.1030
25	A	A	0.4538
26	P	A	-0.0238
27	G	A	-0.0876
28	G	A	0.2844
29	L	A	1.3017
30	G	A	0.4545
31	S	A	0.7896
32	A	A	1.0509
33	A	A	0.9805
34	L	A	1.6426
35	G	A	1.3515
36	A	A	0.8907
37	A	A	0.6146
38	G	A	0.3054
39	G	A	0.0000
40	A	A	0.0000
41	L	A	0.2236
42	Q	A	-1.1014
43	T	A	0.0000
44	V	A	0.0000
45	G	A	-0.3890
46	Q	A	-0.9083
47	G	A	-0.7205
48	L	A	-0.0196
49	I	A	0.6743
50	D	A	-1.3213
51	H	A	-0.9556
52	G	A	-0.2466
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