Project name: f1673b6aceaeda3

Chain sequence(s)	A: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
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                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)

• Minimal score value: -3.2002
• Maximal score value: 0.2754
• Average score: -1.1263
• Total score value: -144.1693

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	K	A	-1.3328
2	V	A	0.1534
3	F	A	0.0000
4	G	A	-0.9330
5	R	A	-1.2944
6	C	A	-1.2137
7	E	A	-1.2626
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.8385
11	A	A	-1.7741
12	M	A	0.0000
13	K	A	-3.1242
14	R	A	-3.0087
15	H	A	-2.2263
16	G	A	-2.1430
17	L	A	0.0000
18	D	A	-2.4083
19	N	A	-2.3024
20	Y	A	-1.7606
21	R	A	-2.3354
22	G	A	-1.7645
23	Y	A	-1.1921
24	S	A	-1.4168
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-1.0476
28	W	A	0.0000
29	V	A	0.0000
30	C	A	0.0000
31	A	A	0.0000
32	A	A	0.0000
33	K	A	-1.0913
34	F	A	-0.5206
35	E	A	-0.4772
36	S	A	0.0000
37	N	A	-1.3670
38	F	A	0.0000
39	N	A	-1.0504
40	T	A	0.0000
41	Q	A	-1.4040
42	A	A	-1.2125
43	T	A	-1.5831
44	N	A	-2.4343
45	R	A	-3.0898
46	N	A	-2.3742
47	T	A	-1.7443
48	D	A	-2.3877
49	G	A	-2.0803
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-1.4646
53	Y	A	0.0000
54	G	A	0.0000
55	I	A	0.0000
56	L	A	0.0000
57	Q	A	0.0000
58	I	A	0.0000
59	N	A	-0.9392
60	S	A	0.0000
61	R	A	-1.4480
62	W	A	-0.4405
63	W	A	0.0000
64	C	A	0.0000
65	N	A	-2.2132
66	D	A	-1.8647
67	G	A	-1.9261
68	R	A	-2.5479
69	T	A	0.0000
70	P	A	-1.6217
71	G	A	-1.2155
72	S	A	-1.8111
73	R	A	-2.1572
74	N	A	-1.6352
75	L	A	-0.7395
76	C	A	-1.0800
77	N	A	-1.4906
78	I	A	-0.6685
79	P	A	-0.9384
80	C	A	0.0000
81	S	A	-0.5595
82	A	A	-0.3837
83	L	A	0.0000
84	L	A	-0.9922
85	S	A	-1.3198
86	S	A	-1.5574
87	D	A	-2.1032
88	I	A	0.0000
89	T	A	-1.2007
90	A	A	-0.6979
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.7310
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-1.8783
97	K	A	-2.0984
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.2014
101	D	A	-2.7392
102	G	A	-2.1769
103	N	A	-2.1491
104	G	A	-1.8873
105	M	A	0.0000
106	N	A	-1.4361
107	A	A	-0.6755
108	W	A	0.0000
109	V	A	0.2754
110	A	A	-0.9706
111	W	A	0.0000
112	R	A	-3.0847
113	N	A	-2.9769
114	R	A	-3.0553
115	C	A	0.0000
116	K	A	-3.2002
117	G	A	-2.2532
118	T	A	-2.2147
119	D	A	-2.4655
120	V	A	0.0000
121	Q	A	-2.0027
122	A	A	-1.5412
123	W	A	-1.0190
124	I	A	-1.1361
125	R	A	-2.2708
126	G	A	-1.5918
127	C	A	-1.5185
128	R	A	-2.1117