Project name: 16abn

Chain sequence(s)	A: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGIILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.1402
• Maximal score value: 0.2208
• Average score: -1.1344
• Total score value: -146.3337

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	-1.3920
2	V	A	0.1251
3	F	A	0.0000
4	G	A	-0.9802
5	R	A	-1.2282
6	C	A	-1.0331
7	E	A	-1.1064
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.1761
11	A	A	-1.3833
12	M	A	0.0000
13	K	A	-1.9867
14	R	A	-2.4145
15	H	A	-1.9316
16	G	A	-1.8240
17	L	A	0.0000
18	D	A	-1.9944
19	N	A	-2.1295
20	Y	A	-1.6668
21	R	A	-2.3448
22	G	A	-1.7655
23	Y	A	-1.1762
24	S	A	-1.2465
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-1.0811
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	-1.3115
34	F	A	-0.7727
35	E	A	-0.7538
36	S	A	0.0000
37	N	A	-1.3860
38	F	A	0.0000
39	N	A	-1.0953
40	T	A	0.0000
41	Q	A	-1.4346
42	A	A	-1.1540
43	T	A	-1.3754
44	N	A	-1.9708
45	R	A	-2.7868
46	N	A	-2.2999
47	T	A	-1.6401
48	D	A	-2.5021
49	G	A	-2.1420
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-1.4306
53	Y	A	0.0000
54	G	A	0.0000
55	I	A	0.0000
56	L	A	0.0000
57	Q	A	-0.6200
58	I	A	0.0000
59	N	A	-1.3970
60	S	A	0.0000
61	R	A	-2.5880
62	W	A	-0.7233
63	W	A	-0.9416
64	C	A	0.0000
65	N	A	-2.6432
66	D	A	-2.2737
67	G	A	-1.8359
68	R	A	-2.3541
69	T	A	-2.2808
70	P	A	-1.7386
71	G	A	-1.3793
72	S	A	-2.1682
73	R	A	-2.4932
74	N	A	-1.7679
75	L	A	-0.6399
76	C	A	-0.9943
77	N	A	-1.5106
78	I	A	-0.7991
79	P	A	-1.1173
80	C	A	0.0000
81	S	A	-0.6179
82	A	A	-0.4639
83	L	A	0.0000
84	L	A	-1.0379
85	S	A	-1.3403
86	S	A	-1.5798
87	D	A	-2.1133
88	I	A	0.0000
89	T	A	-1.2115
90	A	A	-0.8682
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.7473
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-1.9131
97	K	A	-2.1255
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.2699
101	D	A	-2.7726
102	G	A	-2.1548
103	N	A	-2.1378
104	G	A	-1.9191
105	M	A	0.0000
106	N	A	-1.3268
107	A	A	-0.6574
108	W	A	0.0000
109	V	A	0.2208
110	A	A	-0.9882
111	W	A	0.0000
112	R	A	-3.0315
113	N	A	-2.9569
114	R	A	-3.1402
115	C	A	0.0000
116	K	A	-3.1199
117	G	A	-2.2372
118	T	A	-2.3828
119	D	A	-2.4559
120	V	A	0.0000
121	Q	A	-2.0528
122	A	A	-1.5774
123	W	A	-1.0530
124	I	A	-1.0325
125	R	A	-2.2004
126	G	A	-1.3880
127	C	A	-1.1976
128	R	A	-1.4498
129	L	A	0.0241