Project name: 394d16fcf21639

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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.3929
• Maximal score value: 0.4366
• Average score: -1.1409
• Total score value: -147.1707

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	-1.3422
2	V	A	0.2896
3	F	A	0.0000
4	G	A	-0.9707
5	R	A	-1.1724
6	C	A	-1.0599
7	E	A	-1.3608
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.0756
11	A	A	-1.2666
12	M	A	0.0000
13	K	A	-1.9419
14	R	A	-2.3777
15	H	A	-1.9311
16	G	A	-1.8348
17	L	A	0.0000
18	D	A	-2.2468
19	N	A	-2.2962
20	Y	A	-1.7456
21	R	A	-2.3829
22	G	A	-1.8265
23	Y	A	-1.2577
24	S	A	-1.3573
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-0.8660
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	-1.0043
34	F	A	-0.4267
35	E	A	-0.3847
36	S	A	0.0000
37	N	A	-1.3070
38	F	A	0.0000
39	N	A	-1.0368
40	T	A	0.0000
41	Q	A	-1.3910
42	A	A	-1.1957
43	T	A	-1.5686
44	N	A	-2.4501
45	R	A	-3.0594
46	N	A	-2.4157
47	T	A	-1.4790
48	D	A	-2.2679
49	G	A	-1.9666
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-1.6099
53	Y	A	0.0000
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	-1.5474
60	S	A	0.0000
61	R	A	-2.5172
62	W	A	-0.9936
63	W	A	-1.1526
64	C	A	0.0000
65	N	A	-2.7798
66	D	A	-2.1365
67	G	A	-1.9404
68	R	A	-2.4881
69	T	A	-2.2497
70	P	A	-1.6849
71	G	A	-1.4239
72	S	A	-2.1988
73	R	A	-2.6264
74	N	A	-2.1028
75	L	A	-0.9237
76	C	A	-1.1253
77	N	A	-1.6001
78	I	A	-0.8023
79	P	A	-1.1346
80	C	A	0.0000
81	S	A	-0.6061
82	A	A	-0.4290
83	L	A	0.0000
84	L	A	-0.9441
85	S	A	-1.3094
86	S	A	-1.5571
87	D	A	-2.1008
88	I	A	0.0000
89	T	A	-1.0164
90	A	A	-0.7277
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.7290
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-1.8362
97	K	A	-2.0604
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.1819
101	D	A	-2.7426
102	G	A	-2.1769
103	N	A	-2.1861
104	G	A	-1.8928
105	M	A	0.0000
106	N	A	-1.4695
107	A	A	-0.6469
108	W	A	0.0000
109	V	A	0.4366
110	A	A	-0.9440
111	W	A	0.0000
112	R	A	-3.0882
113	N	A	-3.0059
114	R	A	-3.0375
115	C	A	0.0000
116	K	A	-3.3929
117	G	A	-2.2460
118	T	A	-2.1176
119	D	A	-2.2754
120	V	A	-1.7412
121	Q	A	-1.6632
122	A	A	-1.3408
123	W	A	-0.8891
124	I	A	-1.0157
125	R	A	-2.2359
126	G	A	-1.3936
127	C	A	-1.2478
128	R	A	-1.4810
129	L	A	0.1360