Project name: MN2

Chain sequence(s)	X: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Selected Chain(s)	X
Distance of aggregation	5 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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.1628
• Maximal score value: 1.7747
• Average score: -0.4672
• Total score value: -60.2687

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	-1.3803
2	V	X	1.4208
3	F	X	0.0000
4	G	X	-0.4860
5	R	X	-0.8592
6	C	X	-0.1652
7	E	X	-1.3378
8	L	X	0.0000
9	A	X	0.0000
10	A	X	0.0107
11	A	X	-0.1822
12	M	X	0.0000
13	K	X	-1.2634
14	R	X	-2.0489
15	H	X	-0.6508
16	G	X	-0.4450
17	L	X	0.0000
18	D	X	-1.1219
19	N	X	-1.4382
20	Y	X	-0.2995
21	R	X	-1.8852
22	G	X	-0.9183
23	Y	X	-0.0653
24	S	X	-0.3385
25	L	X	0.0000
26	G	X	0.0000
27	N	X	-0.1519
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	-0.3707
34	F	X	1.1695
35	E	X	-0.0765
36	S	X	-0.3029
37	N	X	-1.3356
38	F	X	0.0000
39	N	X	-0.0953
40	T	X	0.0000
41	Q	X	-1.1603
42	A	X	-0.2163
43	T	X	-0.2543
44	N	X	-1.6219
45	R	X	-2.1440
46	N	X	-0.7030
47	T	X	-0.4598
48	D	X	-1.8210
49	G	X	-0.4328
50	S	X	0.0000
51	T	X	0.0000
52	D	X	-0.3123
53	Y	X	0.0732
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	-0.3647
60	S	X	0.0000
61	R	X	-0.5057
62	W	X	0.6588
63	W	X	0.0000
64	C	X	0.0000
65	N	X	-1.3703
66	D	X	-0.7040
67	G	X	-0.8571
68	R	X	-1.8895
69	T	X	-0.3739
70	P	X	-0.3421
71	G	X	-0.5233
72	S	X	-0.5533
73	R	X	-1.9255
74	N	X	-1.5007
75	L	X	0.3167
76	C	X	-0.0193
77	N	X	-1.1810
78	I	X	0.1286
79	P	X	-0.3219
80	C	X	0.0000
81	S	X	-0.2106
82	A	X	-0.0283
83	L	X	0.0000
84	L	X	0.1231
85	S	X	-0.2613
86	S	X	-0.5695
87	D	X	-1.8389
88	I	X	0.0000
89	T	X	-0.0332
90	A	X	0.0048
91	S	X	0.0000
92	V	X	0.0000
93	N	X	-1.2730
94	C	X	0.0000
95	A	X	0.0000
96	K	X	-0.6083
97	K	X	-1.4654
98	I	X	0.0000
99	V	X	0.0000
100	S	X	-0.4638
101	D	X	-1.8988
102	G	X	-1.0186
103	N	X	-1.3707
104	G	X	-0.2917
105	M	X	0.0000
106	N	X	-0.4251
107	A	X	-0.0472
108	W	X	0.0000
109	V	X	1.7747
110	A	X	0.3392
111	W	X	0.0000
112	R	X	-2.1628
113	N	X	-1.9295
114	R	X	-2.0756
115	C	X	0.0000
116	K	X	-1.6804
117	G	X	-0.7350
118	T	X	-0.4662
119	D	X	-1.7696
120	V	X	-0.3789
121	Q	X	-1.1620
122	A	X	-0.3457
123	W	X	0.2722
124	I	X	0.0293
125	R	X	-1.8683
126	G	X	-0.7870
127	C	X	-0.3131
128	R	X	-1.5411
129	L	X	1.2059