Project name: query_structure

Chain sequence(s)	A: ANSSKAVCNLPKLAGDETCSNKTEIRWYYNGTACEAFIFKGCGGNDNNFDRRVDDCQRLC; B: ANSKAVCNLPKLAGDEETCSSNKTEIRWYYNGTACEEAFIFKGCGGNDNNFDRRVDDCQRLC
Selected Chain(s)	A,B
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 all 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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -4.0869
• Maximal score value: 1.6555
• Average score: -1.4406
• Total score value: -167.1045

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	A	A	-0.8058
2	N	A	-1.8085
3	S	A	-1.6915
4	K	A	-2.1332
5	A	A	-1.4864
6	V	A	-1.3075
7	C	A	0.0000
8	N	A	-1.7510
9	L	A	-0.7369
10	P	A	-1.0003
11	K	A	-1.4168
12	L	A	-0.2245
13	A	A	-0.5263
14	G	A	-1.4537
15	D	A	-2.7681
16	E	A	-2.9252
17	T	A	-1.6005
18	C	A	-1.6347
19	S	A	-1.6129
20	N	A	-2.7861
21	K	A	-2.7600
22	T	A	-1.5965
23	E	A	-1.0898
24	I	A	0.7577
25	R	A	-0.5316
26	W	A	-1.0305
27	Y	A	-1.3799
28	Y	A	-0.8352
29	N	A	-1.4849
30	G	A	-1.0175
31	T	A	-0.5160
32	A	A	-0.5458
33	C	A	-1.1322
34	E	A	-1.0074
35	A	A	0.0343
36	F	A	0.0000
37	I	A	1.6555
38	F	A	0.0000
39	K	A	-1.7333
40	G	A	-1.7609
41	C	A	-1.5764
42	G	A	-1.2760
43	G	A	-1.2121
44	N	A	-1.2593
45	D	A	-2.0961
46	N	A	0.0000
47	N	A	-1.4483
48	F	A	0.0000
49	D	A	-2.9680
50	R	A	-3.3889
51	V	A	-2.6463
52	D	A	-3.8084
53	D	A	-3.6926
54	C	A	0.0000
55	Q	A	-2.9169
56	R	A	-3.0285
57	L	A	-1.8027
58	C	A	-1.4667
1	A	B	-0.8028
2	N	B	-1.7964
3	S	B	-1.7071
4	K	B	-2.1111
5	A	B	-1.5133
6	V	B	-1.3189
7	C	B	-1.2980
8	N	B	-1.7655
9	L	B	-0.7239
10	P	B	-0.9782
11	K	B	-1.4010
12	L	B	-0.1836
13	A	B	-0.5308
14	G	B	-1.4827
15	D	B	-2.8424
16	E	B	-2.9664
17	T	B	-1.7716
18	C	B	-2.0277
19	S	B	-2.0460
20	N	B	-2.8049
21	K	B	-2.7534
22	T	B	-1.6950
23	E	B	-1.2820
24	I	B	0.2881
25	R	B	-0.8232
26	W	B	-1.3044
27	Y	B	-1.4908
28	Y	B	-0.8917
29	N	B	-1.6291
30	G	B	-1.1688
31	T	B	-0.5979
32	A	B	-0.6155
33	C	B	-1.2438
34	E	B	-1.1678
35	A	B	-0.1706
36	F	B	0.0000
37	I	B	1.4072
38	F	B	0.0000
39	K	B	-1.8096
40	G	B	-1.8435
41	C	B	-1.6144
42	G	B	-1.2773
43	G	B	-1.2019
44	N	B	-1.2495
45	D	B	-2.0828
46	N	B	0.0000
47	N	B	-1.5776
48	F	B	0.0000
49	D	B	-3.1400
50	R	B	-3.5764
51	V	B	-2.8038
52	D	B	-3.8724
53	D	B	-4.0869
54	C	B	0.0000
55	Q	B	-3.0213
56	R	B	-3.1280
57	L	B	-1.8653
58	C	B	-1.5117