Project name: project 1

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]                                                (00:00:00)
[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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:29)

• Minimal score value: -3.5207
• Maximal score value: 0.5993
• Average score: -1.1008
• Total score value: -142.0053

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	-1.5958
2	V	A	0.3471
3	F	A	-0.1978
4	G	A	-0.7450
5	R	A	-1.1235
6	C	A	-1.2490
7	E	A	-1.7472
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.3304
11	A	A	-1.4415
12	M	A	0.0000
13	K	A	-1.9322
14	R	A	-2.2391
15	H	A	-1.6532
16	G	A	-1.4043
17	L	A	0.0000
18	D	A	-1.9267
19	N	A	-2.0719
20	Y	A	-1.5428
21	R	A	-2.2518
22	G	A	-1.7035
23	Y	A	-1.0042
24	S	A	-1.0283
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-1.1170
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	-0.0440
34	F	A	0.5993
35	E	A	-0.1395
36	S	A	0.0000
37	N	A	-0.8381
38	F	A	-0.4312
39	N	A	-0.6792
40	T	A	0.0000
41	Q	A	-1.6096
42	A	A	-1.1229
43	T	A	-1.4322
44	N	A	-2.7378
45	R	A	-3.5207
46	N	A	-3.0972
47	T	A	-1.9413
48	D	A	-2.8064
49	G	A	-2.5163
50	S	A	0.0000
51	T	A	-2.6963
52	D	A	-1.7485
53	Y	A	-0.9111
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	-1.2072
60	S	A	0.0000
61	R	A	-2.2414
62	W	A	-0.6843
63	W	A	-0.6998
64	C	A	0.0000
65	N	A	-2.0348
66	D	A	-1.7929
67	G	A	-1.8212
68	R	A	-2.6192
69	T	A	0.0000
70	P	A	-1.9890
71	G	A	-1.9698
72	S	A	-2.2059
73	R	A	-2.3801
74	N	A	-1.7242
75	L	A	-0.6398
76	C	A	-0.8487
77	N	A	-1.2961
78	I	A	-0.4279
79	P	A	-0.8510
80	C	A	0.0000
81	S	A	-0.4711
82	A	A	-0.4829
83	L	A	0.0000
84	L	A	-0.9806
85	S	A	-1.4048
86	S	A	-1.6625
87	D	A	-2.1555
88	I	A	0.0000
89	T	A	-0.8454
90	A	A	-0.5247
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.0657
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-1.6979
97	K	A	-2.4165
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.3561
101	D	A	-2.8973
102	G	A	-2.2475
103	N	A	-2.0419
104	G	A	-2.0145
105	M	A	0.0000
106	N	A	-1.2416
107	A	A	-0.5736
108	W	A	0.0000
109	V	A	0.5609
110	A	A	-0.7221
111	W	A	0.0000
112	R	A	-3.1207
113	N	A	-2.9810
114	R	A	-2.9007
115	C	A	0.0000
116	K	A	-3.4346
117	G	A	-2.3669
118	T	A	-1.9698
119	D	A	-2.3140
120	V	A	0.0000
121	Q	A	-1.5743
122	A	A	-1.2714
123	W	A	-0.8715
124	I	A	-1.1161
125	R	A	-2.1027
126	G	A	-1.4051
127	C	A	-1.3779
128	R	A	-1.6219
129	L	A	-0.2710