Project name: Collagen_native

Chain sequence(s)	A: GPPGPPGPPGPPGPPGPPGPPGPPGPP; C: GPPGPPGPPGPPGPPGPPGPPGPPGPP; B: GPPGPPGPPGPPGPPGPPGPPGPPGPP
Selected Chain(s)	A,C,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:07)
[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 all 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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -1.3411
• Maximal score value: 0.0
• Average score: -0.6624
• Total score value: -53.6506

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	G	A	-1.3011
2	P	A	-1.0990
3	P	A	-1.0857
4	G	A	-1.0450
5	P	A	-0.7917
6	P	A	-0.8657
7	G	A	0.0000
8	P	A	-0.7861
9	P	A	-0.8653
10	G	A	0.0000
11	P	A	-0.8069
12	P	A	-0.9028
13	G	A	-0.8726
14	P	A	-0.8151
15	P	A	-0.8793
16	G	A	0.0000
17	P	A	-0.7576
18	P	A	-0.8574
19	G	A	0.0000
20	P	A	-0.7871
21	P	A	-0.8783
22	G	A	0.0000
23	P	A	-0.8157
24	P	A	-0.9182
25	G	A	0.0000
26	P	A	-0.8373
27	P	A	-0.7529
1	G	B	-1.3411
2	P	B	-1.0021
3	P	B	-0.9773
4	G	B	0.0000
5	P	B	-0.7922
6	P	B	-0.8709
7	G	B	0.0000
8	P	B	-0.7610
9	P	B	-0.8286
10	G	B	0.0000
11	P	B	-0.7612
12	P	B	-0.8617
13	G	B	0.0000
14	P	B	-0.7875
15	P	B	-0.8723
16	G	B	0.0000
17	P	B	-0.8133
18	P	B	-0.8938
19	G	B	0.0000
20	P	B	-0.7954
21	P	B	-0.8778
22	G	B	0.0000
23	P	B	-0.8015
24	P	B	-0.8819
25	G	B	-0.9206
26	P	B	-0.7603
27	P	B	-0.5708
1	G	C	-1.0055
2	P	C	-1.0512
3	P	C	-1.2222
4	G	C	-1.1596
5	P	C	-0.9037
6	P	C	-0.9211
7	G	C	0.0000
8	P	C	-0.7872
9	P	C	-0.8586
10	G	C	0.0000
11	P	C	-0.7495
12	P	C	-0.8565
13	G	C	0.0000
14	P	C	-0.7676
15	P	C	-0.8674
16	G	C	0.0000
17	P	C	-0.7614
18	P	C	-0.8326
19	G	C	0.0000
20	P	C	-0.7729
21	P	C	-0.8604
22	G	C	0.0000
23	P	C	-0.7953
24	P	C	-0.9076
25	G	C	0.0000
26	P	C	-0.8336
27	P	C	-0.8446