Project name: e73ebfbcdcdd8a

Chain sequence(s)	A: MSHHHHHHSGKEEKVEKIYKEVRDTAIWHQGRIQNKYWYGFDKGEDPREVILEEVKELEKEILSEEFYKKMGLDEDPELKKVFEEVFKKKFEEIKDYIRNEMTHWSGVSEKLLEAIEKMKEEMLKKLGNS
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                                          (00:09:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:17)

• Minimal score value: -4.2887
• Maximal score value: 0.9221
• Average score: -1.8393
• Total score value: -239.1081

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	0.2395
2	S	A	-1.0576
3	H	A	-2.1873
4	H	A	-2.5849
5	H	A	-2.8053
6	H	A	-3.1909
7	H	A	-3.2396
8	H	A	-3.3802
9	S	A	-3.0155
10	G	A	-2.9422
11	K	A	-3.1675
12	E	A	-4.1589
13	E	A	-4.1354
14	K	A	-3.3013
15	V	A	0.0000
16	E	A	-3.5401
17	K	A	-3.4539
18	I	A	0.0000
19	Y	A	-2.6251
20	K	A	-2.6431
21	E	A	-2.3467
22	V	A	0.0000
23	R	A	-1.3399
24	D	A	-0.9946
25	T	A	-0.4564
26	A	A	0.0000
27	I	A	0.7140
28	W	A	0.9221
29	H	A	0.0000
30	Q	A	-0.3063
31	G	A	-0.6968
32	R	A	-1.6417
33	I	A	0.0000
34	Q	A	-0.9061
35	N	A	-0.8710
36	K	A	-0.8141
37	Y	A	-0.5121
38	W	A	0.7857
39	Y	A	0.5738
40	G	A	0.0000
41	F	A	0.0908
42	D	A	-1.5578
43	K	A	-2.4153
44	G	A	-2.1580
45	E	A	-3.0767
46	D	A	-2.8419
47	P	A	-1.6456
48	R	A	-3.1041
49	E	A	-3.5941
50	V	A	-2.1462
51	I	A	0.0000
52	L	A	0.0000
53	E	A	-3.2063
54	E	A	0.0000
55	V	A	0.0000
56	K	A	-3.4579
57	E	A	-3.3961
58	L	A	0.0000
59	E	A	-2.7656
60	K	A	-3.3124
61	E	A	-3.1377
62	I	A	0.0000
63	L	A	-1.7640
64	S	A	-2.6879
65	E	A	-3.8778
66	E	A	-3.8714
67	F	A	0.0000
68	Y	A	-3.2714
69	K	A	-4.2887
70	K	A	-3.5634
71	M	A	0.0000
72	G	A	-2.8074
73	L	A	0.0000
74	D	A	-4.0853
75	E	A	-3.4098
76	D	A	-2.8547
77	P	A	-2.7403
78	E	A	-3.1785
79	L	A	0.0000
80	K	A	-2.9572
81	K	A	-3.2426
82	V	A	-2.2650
83	F	A	0.0000
84	E	A	-2.3296
85	E	A	-2.8334
86	V	A	0.0000
87	F	A	0.0000
88	K	A	-3.0860
89	K	A	-3.6186
90	K	A	0.0000
91	F	A	0.0000
92	E	A	-4.0944
93	E	A	-3.8492
94	I	A	0.0000
95	K	A	-3.4751
96	D	A	-4.1429
97	Y	A	-3.1824
98	I	A	0.0000
99	R	A	-4.1507
100	N	A	-3.5961
101	E	A	-3.2570
102	M	A	0.0000
103	T	A	-1.2526
104	H	A	-0.9531
105	W	A	-0.5976
106	S	A	-0.8256
107	G	A	-1.2147
108	V	A	0.0000
109	S	A	-1.2235
110	E	A	-2.3803
111	K	A	-2.1167
112	L	A	0.0000
113	L	A	-1.6565
114	E	A	-2.8825
115	A	A	0.0000
116	I	A	0.0000
117	E	A	-3.2650
118	K	A	-3.0882
119	M	A	0.0000
120	K	A	-3.0611
121	E	A	-3.3683
122	E	A	-3.1298
123	M	A	0.0000
124	L	A	-2.7942
125	K	A	-3.1447
126	K	A	-2.5897
127	L	A	0.0000
128	G	A	-2.4704
129	N	A	-2.2107
130	S	A	-1.5978