Project name: Design14_0_0

Chain sequence(s)	D: KQKVVYEVLTDASGNQTLVVSASPENASALKAVEKKLGKPTFTYSGNRDAE; F: QGAIEQGITAIFPTPKDAEILALPPTPLDVNPSVNVNIGT
Selected Chain(s)	D,F
Distance of aggregation	5 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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.2839
• Maximal score value: 1.7196
• Average score: -0.3403
• Total score value: -30.9708

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	D	-1.9273
2	Q	D	-1.7082
3	K	D	-1.2896
4	V	D	0.1005
5	V	D	0.9014
6	Y	D	1.2709
7	E	D	-0.1097
8	V	D	0.7682
9	L	D	1.0035
10	T	D	-0.2708
11	D	D	-1.3311
12	A	D	-0.2207
13	S	D	-0.2845
14	G	D	-0.7343
15	N	D	-1.5072
16	Q	D	-1.0558
17	T	D	-0.0837
18	L	D	0.0000
19	V	D	0.2543
20	V	D	0.0000
21	S	D	-0.0006
22	A	D	0.0000
23	S	D	-0.1402
24	P	D	-0.4661
25	E	D	-1.8912
26	N	D	-0.5795
27	A	D	-0.0583
28	S	D	-0.2060
29	A	D	-0.0225
30	L	D	0.0000
31	K	D	-1.7555
32	A	D	-0.2211
33	V	D	0.1074
34	E	D	-1.0317
35	K	D	-2.1086
36	K	D	-1.9776
37	L	D	-0.2220
38	G	D	-0.7259
39	K	D	-1.8225
40	P	D	-0.5587
41	T	D	-0.0533
42	F	D	0.3352
43	T	D	0.2274
44	Y	D	1.2633
45	S	D	0.0118
46	G	D	-0.5330
47	N	D	-1.5657
48	R	D	-2.2839
49	D	D	-2.0892
50	A	D	-0.2488
51	E	D	-2.0211
1	Q	F	-1.2804
2	G	F	-0.6665
3	A	F	0.3167
4	I	F	1.6807
5	E	F	-1.6508
6	Q	F	-1.5990
7	G	F	-0.6363
8	I	F	0.2130
9	T	F	0.0025
10	A	F	0.0000
11	I	F	0.9464
12	F	F	0.3705
13	P	F	-0.2052
15	T	F	-0.1160
16	P	F	-0.5592
17	K	F	-1.7944
18	D	F	-0.5835
19	A	F	-0.3517
20	E	F	-1.5099
21	I	F	1.5156
22	L	F	0.8031
23	A	F	0.4090
24	L	F	1.5139
25	P	F	-0.0332
26	P	F	-0.3149
27	T	F	-0.1693
28	P	F	-0.1637
29	L	F	0.1865
30	D	F	-1.6224
31	V	F	-0.1005
32	N	F	-1.2387
33	P	F	-0.5042
34	S	F	0.0645
35	V	F	1.5259
36	N	F	-0.6694
37	V	F	1.3522
38	N	F	-0.6624
39	I	F	1.7196
40	G	F	-0.1397
41	T	F	-0.1576