Project name: 4851

Chain sequence(s)	A: DPRLPELQALRIAVEAGQVQDPYDVLAQVSVLLGQPPHAISAELREEALSLLRAILRKANPGQLTDEEIDAQAQKILNYLLGHP
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.6316
• Maximal score value: 0.9304
• Average score: -1.0414
• Total score value: -87.4756

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	D	A	-1.3214
2	P	A	-1.0253
3	R	A	0.0000
4	L	A	-1.3690
5	P	A	-1.4349
6	E	A	-1.9563
7	L	A	0.0000
8	Q	A	-0.8222
9	A	A	-0.4815
10	L	A	-0.4132
11	R	A	-0.4632
12	I	A	0.6845
13	A	A	-0.2958
14	V	A	0.0000
15	E	A	-1.8033
16	A	A	-0.8891
17	G	A	-1.7199
18	Q	A	-1.7447
19	V	A	-1.6641
20	Q	A	-2.1902
21	D	A	-1.9945
22	P	A	-1.0242
23	Y	A	0.0134
24	D	A	-1.6959
25	V	A	0.0000
26	L	A	0.2345
27	A	A	0.0405
28	Q	A	-0.4574
29	V	A	0.0000
30	S	A	0.4647
31	V	A	0.9304
32	L	A	0.0000
33	L	A	0.0000
34	G	A	-0.4764
35	Q	A	-0.9290
36	P	A	-1.2304
37	P	A	-1.1475
38	H	A	-1.3003
39	A	A	-0.6671
40	I	A	-0.8787
41	S	A	-1.3167
42	A	A	-1.7653
43	E	A	-2.8411
44	L	A	0.0000
45	R	A	-2.5428
46	E	A	-2.9092
47	E	A	0.0000
48	A	A	0.0000
49	L	A	-1.7726
50	S	A	-1.2805
51	L	A	0.0000
52	L	A	0.0000
53	R	A	-2.1291
54	A	A	-1.4430
55	I	A	0.0000
56	L	A	0.0000
57	R	A	-3.1237
58	K	A	-2.3389
59	A	A	-1.2486
60	N	A	-1.6629
61	P	A	-1.6445
62	G	A	-1.7135
63	Q	A	-1.8313
64	L	A	-1.9521
65	T	A	-2.4442
66	D	A	-3.6316
67	E	A	-3.5590
68	E	A	-3.3070
69	I	A	0.0000
70	D	A	-2.8743
71	A	A	-2.4247
72	Q	A	-2.2449
73	A	A	0.0000
74	Q	A	-2.1221
75	K	A	-1.6704
76	I	A	-0.3743
77	L	A	0.0000
78	N	A	-0.5424
79	Y	A	0.6350
80	L	A	0.7108
81	L	A	0.0910
82	G	A	-0.3087
83	H	A	-0.5105
84	P	A	-0.3550