Project name: MN21

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

• Minimal score value: -3.4047
• Maximal score value: 0.4861
• Average score: -1.1614
• Total score value: -149.8224

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	X	-1.5599
2	V	X	0.0583
3	F	X	0.0000
4	G	X	-1.1739
5	R	X	-1.4413
6	C	X	-1.2601
7	E	X	-1.5676
8	L	X	0.0000
9	A	X	0.0000
10	A	X	-1.2314
11	A	X	-1.4353
12	M	X	0.0000
13	K	X	-2.2429
14	R	X	-2.4460
15	H	X	-1.8794
16	G	X	-1.9754
17	L	X	0.0000
18	D	X	-2.3721
19	N	X	-2.3794
20	Y	X	-1.7625
21	R	X	-2.4454
22	G	X	-1.8495
23	Y	X	-1.3343
24	S	X	-1.4419
25	L	X	0.0000
26	G	X	0.0000
27	N	X	-1.0501
28	W	X	0.0000
29	V	X	0.0000
30	C	X	0.0000
31	A	X	0.0000
32	A	X	0.0000
33	K	X	-0.6435
34	F	X	0.2334
35	E	X	-0.2941
36	S	X	-0.7133
37	N	X	-1.0972
38	F	X	0.0000
39	N	X	-0.9940
40	T	X	0.0000
41	Q	X	-1.3559
42	A	X	-1.1418
43	T	X	-1.4599
44	N	X	-2.4288
45	R	X	-3.0611
46	N	X	-2.3631
47	T	X	-1.5633
48	D	X	-2.3784
49	G	X	-2.0227
50	S	X	0.0000
51	T	X	0.0000
52	D	X	-1.5807
53	Y	X	-0.9026
54	G	X	0.0000
55	I	X	0.0000
56	L	X	0.0000
57	Q	X	0.0000
58	I	X	0.0000
59	N	X	-1.0373
60	S	X	0.0000
61	R	X	-1.7513
62	W	X	-0.5668
63	W	X	0.0000
64	C	X	0.0000
65	N	X	-2.8127
66	D	X	-2.1377
67	G	X	-2.0103
68	R	X	-2.5833
69	T	X	-2.0922
70	P	X	-1.5545
71	G	X	-1.2105
72	S	X	-1.9505
73	R	X	-2.5931
74	N	X	-2.4868
75	L	X	-1.1009
76	C	X	-1.3608
77	N	X	-1.7622
78	I	X	-0.8544
79	P	X	-1.2198
80	C	X	0.0000
81	S	X	-0.5225
82	A	X	-0.3875
83	L	X	0.0000
84	L	X	-0.8946
85	S	X	-1.3284
86	S	X	-1.6467
87	D	X	-2.1411
88	I	X	0.0000
89	T	X	-1.2004
90	A	X	-0.8563
91	S	X	0.0000
92	V	X	0.0000
93	N	X	-1.7624
94	C	X	0.0000
95	A	X	0.0000
96	K	X	-2.0031
97	K	X	-2.3028
98	I	X	0.0000
99	V	X	0.0000
100	S	X	-2.3171
101	D	X	-2.8515
102	G	X	-2.2014
103	N	X	-2.1628
104	G	X	-1.8050
105	M	X	0.0000
106	N	X	-1.3554
107	A	X	-0.6865
108	W	X	0.0000
109	V	X	0.4861
110	A	X	-0.7736
111	W	X	0.0000
112	R	X	-3.0663
113	N	X	-3.0486
114	R	X	-2.9012
115	C	X	0.0000
116	K	X	-3.4047
117	G	X	-2.2341
118	T	X	-2.1440
119	D	X	-2.3951
120	V	X	-1.7765
121	Q	X	-2.0869
122	A	X	-1.5858
123	W	X	-1.0833
124	I	X	-1.2115
125	R	X	-2.2555
126	G	X	-1.5086
127	C	X	-1.2830
128	R	X	-1.4689
129	L	X	-0.0132