Project name: a907b1f59018c8d

Chain sequence(s)	A: MKVLILACLVALALARELEELNVPGEIVESLSSSEESITRINKKIEKFQSEEQQQTEDELQDKIHPFAQTQSLVYPFPGPIPNSLPQNIPPLTQTPVVVPPFLQPEVMGVSKVKEAMAPKHKEMPFPKYPVEPFTESQSLTLTDVENLHLPLPLLQSWMHQPHQPLPPTVMFPPQSVLSLSQSKVLPVPQKAVPYPQRDMPIQAFLLYQEPVLGPVRGPFPIIV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:13)
[INFO]       Movie:    Creting movie with webm format                                              (00:12:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:58)

• Minimal score value: -4.0544
• Maximal score value: 3.3647
• Average score: -0.5552
• Total score value: -124.3595

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	A	0.1386
2	K	A	-0.9337
3	V	A	0.7365
4	L	A	0.0000
5	I	A	0.0000
6	L	A	-0.4213
7	A	A	0.0000
8	C	A	0.0000
9	L	A	0.0000
10	V	A	-0.1457
11	A	A	0.0000
12	L	A	0.0000
13	A	A	0.0000
14	L	A	0.0000
15	A	A	0.0000
16	R	A	-3.2535
17	E	A	-3.3484
18	L	A	0.0000
19	E	A	-3.0772
20	E	A	-2.0459
21	L	A	-0.9089
22	N	A	-1.4770
23	V	A	0.0000
24	P	A	0.0000
25	G	A	-1.6172
26	E	A	-1.3803
27	I	A	0.0000
28	V	A	0.0000
29	E	A	-2.2818
30	S	A	-0.5323
31	L	A	0.0000
32	S	A	-1.3203
33	S	A	-0.7858
34	S	A	-1.9914
35	E	A	-3.1638
36	E	A	-3.1467
37	S	A	-2.6358
38	I	A	-2.5137
39	T	A	-2.7869
40	R	A	-3.6085
41	I	A	0.0000
42	N	A	-3.1927
43	K	A	-4.0544
44	K	A	-3.5692
45	I	A	0.0000
46	E	A	-3.7341
47	K	A	-3.6399
48	F	A	0.0000
49	Q	A	-1.7319
50	S	A	-1.5397
51	E	A	-1.6844
52	E	A	-1.1590
53	Q	A	0.0000
54	Q	A	-1.3290
55	Q	A	-2.1028
56	T	A	-1.7837
57	E	A	-2.0072
58	D	A	-2.3024
59	E	A	-3.6183
60	L	A	0.0000
61	Q	A	-3.2115
62	D	A	-3.9412
63	K	A	-3.1600
64	I	A	0.0000
65	H	A	-2.3284
66	P	A	-0.9907
67	F	A	-0.0857
68	A	A	-0.2699
69	Q	A	-1.0488
70	T	A	0.0000
71	Q	A	-0.1559
72	S	A	0.8197
73	L	A	1.7731
74	V	A	1.8944
75	Y	A	1.6934
76	P	A	1.3845
77	F	A	2.0512
78	P	A	0.7892
79	G	A	0.0852
80	P	A	-0.3845
81	I	A	-0.2429
82	P	A	-0.3611
83	N	A	0.2262
84	S	A	0.0000
85	L	A	0.3718
86	P	A	-0.3584
87	Q	A	0.0000
88	N	A	-1.0926
89	I	A	0.1868
90	P	A	0.0000
91	P	A	-0.0030
92	L	A	0.1508
93	T	A	-0.1314
94	Q	A	0.1532
95	T	A	0.9500
96	P	A	0.0000
97	V	A	2.3181
98	V	A	2.4197
99	V	A	1.9221
100	P	A	1.3160
101	P	A	1.2702
102	F	A	2.5176
103	L	A	2.1155
104	Q	A	0.3866
105	P	A	-0.6758
106	E	A	-1.5565
107	V	A	-0.6891
108	M	A	-0.5323
109	G	A	-1.0962
110	V	A	-0.9068
111	S	A	0.0000
112	K	A	-1.9469
113	V	A	-1.0820
114	K	A	-1.9016
115	E	A	-1.4439
116	A	A	-1.2790
117	M	A	-0.7757
118	A	A	-0.9432
119	P	A	-1.6242
120	K	A	-3.2298
121	H	A	-3.0964
122	K	A	-3.4523
123	E	A	-2.9404
124	M	A	-0.5372
125	P	A	-0.6372
126	F	A	0.0702
127	P	A	-0.7644
128	K	A	-1.9137
129	Y	A	-1.3401
130	P	A	-1.3037
131	V	A	-1.2906
132	E	A	-2.0438
133	P	A	-1.2265
134	F	A	-0.9074
135	T	A	-1.1910
136	E	A	-2.0701
137	S	A	0.0000
138	Q	A	-1.1574
139	S	A	-0.3792
140	L	A	1.2611
141	T	A	0.3695
142	L	A	0.7737
143	T	A	0.2565
144	D	A	-0.3412
145	V	A	-0.3354
146	E	A	-0.9098
147	N	A	-1.4395
148	L	A	-0.9544
149	H	A	-0.4681
150	L	A	0.0000
151	P	A	0.0000
152	L	A	-0.2589
153	P	A	-0.5208
154	L	A	0.0000
155	L	A	0.0000
156	Q	A	-0.8744
157	S	A	-1.0610
158	W	A	0.0000
159	M	A	-0.7466
160	H	A	-1.6765
161	Q	A	-1.7525
162	P	A	-1.0111
163	H	A	-0.6072
164	Q	A	-0.5867
165	P	A	-0.5344
166	L	A	0.1124
167	P	A	0.8035
168	P	A	0.9543
169	T	A	1.7656
170	V	A	2.6580
171	M	A	2.8436
172	F	A	2.6769
173	P	A	1.1025
174	P	A	-0.2428
175	Q	A	-0.9824
176	S	A	-0.4289
177	V	A	-0.4358
178	L	A	0.0000
179	S	A	0.0888
180	L	A	-0.0700
181	S	A	-0.5289
182	Q	A	-1.4400
183	S	A	-0.8699
184	K	A	-1.4388
185	V	A	-0.1525
186	L	A	0.8504
187	P	A	0.2656
188	V	A	0.0753
189	P	A	-1.3793
190	Q	A	-2.5158
191	K	A	-1.9621
192	A	A	0.0000
193	V	A	0.0000
194	P	A	-1.0670
195	Y	A	-1.4237
196	P	A	-1.9497
197	Q	A	-2.8294
198	R	A	-3.5170
199	D	A	-2.9714
200	M	A	-1.3033
201	P	A	0.5340
202	I	A	2.6484
203	Q	A	2.0867
204	A	A	0.0000
205	F	A	1.2505
206	L	A	1.2728
207	L	A	0.0000
208	Y	A	0.0000
209	Q	A	0.0000
210	E	A	-0.8956
211	P	A	0.0000
212	V	A	0.0000
213	L	A	0.0000
214	G	A	0.0000
215	P	A	0.0000
216	V	A	0.0000
217	R	A	-0.2967
218	G	A	-0.3886
219	P	A	0.0000
220	F	A	0.0000
221	P	A	1.5718
222	I	A	2.6722
223	I	A	3.3344
224	V	A	3.3647