Project name: Adnectin_allproteins

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWSARLKVARYYRITYGETGGNSPVQEFTVPKNVYTATISGLKPGVDYTITVYAVTLLRDYGPISINYRT
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]                                                (00:00:00)
[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 A 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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -2.5318
• Maximal score value: 1.6162
• Average score: -0.5192
• Total score value: -46.7246

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	V	A	1.6162
2	S	A	0.4482
3	D	A	-0.5254
4	V	A	-0.0803
5	P	A	0.0000
6	R	A	-1.7243
7	D	A	-2.5318
8	L	A	0.0000
9	E	A	-1.8243
10	V	A	-0.0638
11	V	A	1.5650
12	A	A	0.9023
13	A	A	0.4705
14	T	A	-0.4205
15	P	A	-0.9102
16	T	A	-1.0500
17	S	A	-0.5873
18	L	A	0.0000
19	L	A	0.7231
20	I	A	0.0000
21	S	A	0.0850
22	W	A	0.0000
23	S	A	-0.4124
24	A	A	0.0762
25	R	A	0.0000
26	L	A	1.3349
27	K	A	-0.1194
28	V	A	0.7679
29	A	A	0.0000
30	R	A	-1.4558
31	Y	A	-0.3901
32	Y	A	0.0000
33	R	A	-1.1635
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.6690
37	G	A	-1.3450
38	E	A	-2.4345
39	T	A	-1.6645
40	G	A	-1.6750
41	G	A	-1.6696
42	N	A	-1.7838
43	S	A	-1.1541
44	P	A	-0.6303
45	V	A	-0.1703
46	Q	A	-1.4241
47	E	A	-1.8155
48	F	A	-0.6190
49	T	A	-0.3437
50	V	A	0.0000
51	P	A	-0.7957
52	K	A	-1.0475
53	N	A	-0.9223
54	V	A	0.6953
55	Y	A	1.3132
56	T	A	0.8153
57	A	A	0.0000
58	T	A	0.2104
59	I	A	0.0000
60	S	A	-0.6593
61	G	A	-1.0590
62	L	A	0.0000
63	K	A	-2.2916
64	P	A	-1.6083
65	G	A	-1.2280
66	V	A	-1.3385
67	D	A	-1.9566
68	Y	A	0.0000
69	T	A	-1.0397
70	I	A	0.0000
71	T	A	-0.2209
72	V	A	0.0000
73	Y	A	-0.4020
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-0.3893
77	L	A	1.4410
78	L	A	0.8558
79	R	A	-1.6784
80	D	A	-2.4847
81	Y	A	0.0000
82	G	A	-0.8634
83	P	A	-0.5298
84	I	A	-0.1162
85	S	A	-0.6453
86	I	A	-0.9484
87	N	A	-1.9596
88	Y	A	-1.5927
89	R	A	-2.0816
90	T	A	-1.5286