Project name: query_structure

Chain sequence(s)	A: ATCYCRTGRCATRESLSGVCEISGRLYRLCCR; C: ATCYCRTGRCATRESLSGVCEISGRLYRLCCR; B: ATCYCRTGRCATRESLSGVCEISGRLYRLCCR; D: ATCCYYCCRRTTGRLSGVCEISGRLYRLCCCC
Selected Chain(s)	A,C,B,D
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.6119
• Maximal score value: 1.5051
• Average score: -0.6431
• Total score value: -77.8101

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	-0.4328
2	T	A	-0.4445
3	C	A	-0.1933
4	Y	A	-0.1802
5	C	A	-0.2554
6	R	A	-0.9570
7	T	A	-1.0955
8	G	A	-1.7548
9	R	A	-2.2258
10	C	A	-1.4871
11	A	A	-1.2675
12	T	A	-1.3323
13	R	A	-2.4286
14	E	A	-1.7205
15	S	A	-0.7810
16	L	A	0.5687
17	S	A	0.2278
18	G	A	0.1183
19	V	A	0.3319
20	C	A	0.0000
21	E	A	-1.0352
22	I	A	-0.3753
23	S	A	-0.8041
24	G	A	-1.2920
25	R	A	-1.5780
26	L	A	0.0895
27	Y	A	-0.7334
28	R	A	-1.1370
29	L	A	0.0000
30	C	A	0.0000
31	C	A	-0.8931
32	R	A	-2.1451
1	A	C	-0.3875
2	T	C	-0.4219
3	C	C	0.0000
4	Y	C	0.0079
5	C	C	0.0215
6	R	C	-0.9747
7	T	C	-1.1491
8	G	C	-1.5844
9	R	C	-2.2011
10	C	C	0.0000
11	A	C	-1.3120
12	T	C	-1.4781
13	R	C	-2.5035
14	E	C	-1.9091
15	S	C	-1.0624
16	L	C	0.1648
17	S	C	-0.0725
18	G	C	-0.2105
19	V	C	0.3504
20	C	C	0.0000
21	E	C	-0.5872
22	I	C	0.0582
23	S	C	-0.7318
24	G	C	-1.4081
25	R	C	-1.9082
26	L	C	-0.6835
27	Y	C	-0.4461
28	R	C	-0.9496
29	L	C	0.0000
30	C	C	0.0000
31	C	C	0.0000
32	R	C	-2.2860
1	A	B	-0.1464
2	T	B	-0.0609
3	C	B	0.2997
4	Y	B	0.4379
5	C	B	0.0200
6	R	B	-0.7336
7	T	B	-0.9814
8	G	B	-1.6673
9	R	B	-2.1961
10	C	B	-1.5259
11	A	B	0.0000
12	T	B	-1.6320
13	R	B	-2.6119
14	E	B	-1.6538
15	S	B	-0.6633
16	L	B	0.5281
17	S	B	0.1002
18	G	B	-0.2046
19	V	B	0.0767
20	C	B	0.0000
21	E	B	-1.4611
22	I	B	-0.4508
23	S	B	-0.8748
24	G	B	-1.3691
25	R	B	-1.6768
26	L	B	-0.0794
27	Y	B	0.0000
28	R	B	-1.2742
29	L	B	0.0000
30	C	B	0.0000
31	C	B	-0.5639
32	R	B	-1.5221
1	A	D	0.2543
2	T	D	0.6172
3	C	D	0.0000
4	Y	D	1.2290
5	C	D	-0.2317
6	R	D	-1.7782
7	T	D	-1.5818
8	G	D	-1.9660
9	R	D	-2.3034
16	L	D	1.5051
17	S	D	0.6931
18	G	D	0.0929
19	V	D	0.3057
20	C	D	0.0000
21	E	D	-1.1793
22	I	D	-0.3506
23	S	D	-0.7938
24	G	D	-1.2603
25	R	D	-1.5784
26	L	D	-0.0222
27	Y	D	0.0000
28	R	D	-0.8694
29	L	D	0.0000
30	C	D	0.7109
31	C	D	1.4614