Project name: ccadc48a334d7dd

Chain sequence(s)	A: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRLKVFGRCELAAAM
Selected Chain(s)	A
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -2.1832
• Maximal score value: 1.7739
• Average score: -0.4172
• Total score value: -58.8247

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	-0.8754
2	V	A	1.4948
3	F	A	0.0000
4	G	A	-0.3996
5	R	A	-0.6747
6	C	A	-0.1968
7	E	A	-1.5645
8	L	A	0.0000
9	A	A	0.0000
10	A	A	0.0098
11	A	A	0.0101
12	M	A	0.0000
13	K	A	-1.0312
14	R	A	-2.0304
15	H	A	-0.7236
16	G	A	-0.4138
17	L	A	0.0000
18	D	A	-1.0748
19	N	A	-1.4099
20	Y	A	-0.2493
21	R	A	-1.8736
22	G	A	-0.9310
23	Y	A	-0.0350
24	S	A	-0.2095
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-0.1234
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	-0.6423
34	F	A	0.3187
35	E	A	-0.1663
36	S	A	0.0000
37	N	A	-1.3549
38	F	A	0.0000
39	N	A	-0.2091
40	T	A	0.0000
41	Q	A	-1.1715
42	A	A	-0.2225
43	T	A	-0.2610
44	N	A	-1.6288
45	R	A	-2.1832
46	N	A	-0.8872
47	T	A	-0.4967
48	D	A	-1.8141
49	G	A	-0.3941
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-0.2793
53	Y	A	0.0735
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	-0.3094
60	S	A	0.0000
61	R	A	-1.3588
62	W	A	0.2274
63	W	A	0.2605
64	C	A	0.0000
65	N	A	-1.0822
66	D	A	-0.6818
67	G	A	-0.8837
68	R	A	-1.9316
69	T	A	-0.3902
70	P	A	-0.3426
71	G	A	-0.5230
72	S	A	-0.6751
73	R	A	-1.8255
74	N	A	-0.5740
75	L	A	0.3643
76	C	A	-0.0411
77	N	A	-1.2082
78	I	A	-0.0533
79	P	A	-0.3259
80	C	A	0.0000
81	S	A	-0.2102
82	A	A	-0.0246
83	L	A	0.0000
84	L	A	0.0417
85	S	A	-0.0987
86	S	A	-0.5492
87	D	A	-1.8266
88	I	A	0.0000
89	T	A	-0.0293
90	A	A	0.0072
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.2730
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-0.5709
97	K	A	-1.2105
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-0.4283
101	D	A	-1.8931
102	G	A	-1.0286
103	N	A	-1.3705
104	G	A	-0.2983
105	M	A	0.0000
106	N	A	-0.5435
107	A	A	-0.0495
108	W	A	0.0000
109	V	A	1.7739
110	A	A	0.3343
111	W	A	0.0000
112	R	A	-2.0769
113	N	A	-1.9505
114	R	A	-2.0789
115	C	A	0.0000
116	K	A	-1.5167
117	G	A	-0.7390
118	T	A	-0.4732
119	D	A	-1.8003
120	V	A	0.0000
121	Q	A	-1.1890
122	A	A	-0.1294
123	W	A	0.2997
124	I	A	0.1276
125	R	A	-1.8523
126	G	A	-0.7876
127	C	A	-0.3207
128	R	A	-1.6740
129	L	A	0.4867
1	K	A	-1.3763
2	V	A	1.6199
3	F	A	1.1336
4	G	A	-0.4436
5	R	A	-1.7593
6	C	A	0.2443
7	E	A	-0.5804
8	L	A	0.5555
9	A	A	0.2748
10	A	A	0.0800
11	A	A	0.2598
12	M	A	1.0640