Project name: a1203d88352efa0

Chain sequence(s)	A: MSHHHHHHSGKVEEIKKILEELKKLKEVVEEAEEILKEVEEKGVDVVYAFGKIYRKFKDFAKTAKEKEVKELVKEILEILNKINNSWFFYEYYYGNKELVYKKVKDAVEEIKKKVEEEIKKYEEELKKAENS
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]                                                (00:00:01)
[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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:18)

• Minimal score value: -4.3188
• Maximal score value: 3.1841
• Average score: -1.9667
• Total score value: -259.5981

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	0.2357
2	S	A	-0.9499
3	H	A	-2.1662
4	H	A	-2.5701
5	H	A	-2.8223
6	H	A	-3.1990
7	H	A	-3.0960
8	H	A	-3.2194
9	S	A	-2.5218
10	G	A	-2.7679
11	K	A	-3.2217
12	V	A	-1.8341
13	E	A	-3.3166
14	E	A	-3.5496
15	I	A	-1.8353
16	K	A	-3.1449
17	K	A	-3.6631
18	I	A	-2.5606
19	L	A	-1.6810
20	E	A	-3.3110
21	E	A	0.0000
22	L	A	-2.2504
23	K	A	-3.5757
24	K	A	-3.5517
25	L	A	0.0000
26	K	A	-3.9299
27	E	A	-4.1693
28	V	A	-2.8806
29	V	A	-2.6812
30	E	A	-3.8609
31	E	A	-3.4647
32	A	A	0.0000
33	E	A	-3.6113
34	E	A	-3.7618
35	I	A	-1.9238
36	L	A	-1.9423
37	K	A	-3.7140
38	E	A	-3.3336
39	V	A	-2.0739
40	E	A	-3.6643
41	E	A	-4.0510
42	K	A	-3.6133
43	G	A	-2.2705
44	V	A	-1.0733
45	D	A	-0.1382
46	V	A	0.9487
47	V	A	0.0000
48	Y	A	0.5454
49	A	A	0.0000
50	F	A	0.0000
51	G	A	-0.3498
52	K	A	-1.5877
53	I	A	0.0000
54	Y	A	-1.4899
55	R	A	-2.8963
56	K	A	-2.0930
57	F	A	0.0000
58	K	A	-2.9364
59	D	A	-2.4513
60	F	A	0.0000
61	A	A	-2.6107
62	K	A	-2.6080
63	T	A	-1.7696
64	A	A	0.0000
65	K	A	-3.1648
66	E	A	-3.4528
67	K	A	-3.8538
68	E	A	-3.7913
69	V	A	0.0000
70	K	A	-4.0739
71	E	A	-4.0837
72	L	A	-2.4674
73	V	A	0.0000
74	K	A	-3.7626
75	E	A	-3.1923
76	I	A	-1.5715
77	L	A	-2.1641
78	E	A	-2.5332
79	I	A	-0.6559
80	L	A	-0.7285
81	N	A	-1.3539
82	K	A	-1.8722
83	I	A	-0.2803
84	N	A	0.0000
85	N	A	-0.7964
86	S	A	0.0253
87	W	A	1.2637
88	F	A	2.5852
89	F	A	3.1841
90	Y	A	2.1361
91	E	A	1.3337
92	Y	A	2.1863
93	Y	A	1.5007
94	Y	A	0.7170
95	G	A	-0.2396
96	N	A	-0.4914
97	K	A	-1.1933
98	E	A	-1.6766
99	L	A	-0.4731
100	V	A	-0.4468
101	Y	A	-0.4055
102	K	A	-2.1234
103	K	A	-2.1333
104	V	A	-0.3812
105	K	A	-2.0431
106	D	A	-3.2235
107	A	A	-1.7581
108	V	A	-1.4663
109	E	A	-3.1516
110	E	A	-3.0869
111	I	A	-1.4657
112	K	A	-3.3530
113	K	A	-4.0830
114	K	A	-3.6429
115	V	A	-2.0021
116	E	A	-3.2846
117	E	A	-4.3188
118	E	A	-3.6658
119	I	A	-1.6935
120	K	A	-3.7544
121	K	A	-3.6475
122	Y	A	-2.2517
123	E	A	-3.5597
124	E	A	-4.3097
125	E	A	-3.6608
126	L	A	-2.4396
127	K	A	-3.9847
128	K	A	-4.0812
129	A	A	-2.8664
130	E	A	-3.3163
131	N	A	-3.1527
132	S	A	-1.8747