Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCIPATWVCDGENDCVDDSDEKSCATTAPTCLPNEFRCSNGQCIPPNWRCDGVDDCRDGSDEAGCSQDPEFHKV
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -3.5621
• Maximal score value: 0.7143
• Average score: -1.2159
• Total score value: -103.355

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	C	A	-0.4798
2	G	A	-0.9241
3	P	A	-1.0206
4	G	A	-1.4713
5	R	A	-1.9662
6	F	A	-1.1846
7	Q	A	-2.0475
8	C	A	0.0000
9	E	A	-2.5670
10	S	A	-1.5305
11	G	A	-1.5416
12	Q	A	-1.5524
13	C	A	-1.3644
14	I	A	0.0000
15	P	A	-0.6450
16	A	A	-0.6623
17	T	A	-0.1760
18	W	A	-0.5250
19	V	A	-0.8276
20	C	A	-1.1974
21	D	A	-2.3127
22	G	A	-2.3013
23	E	A	-3.2727
24	N	A	-2.8272
25	D	A	-1.6643
26	C	A	0.0000
27	V	A	0.4970
28	D	A	-0.9758
29	D	A	-1.8685
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.2267
33	K	A	-2.3078
34	S	A	-0.9366
35	C	A	-0.5481
36	A	A	-0.2094
37	T	A	-0.2958
38	T	A	0.0882
39	A	A	-0.1921
40	P	A	-0.4199
41	T	A	-0.4563
42	C	A	0.0000
43	L	A	0.4611
44	P	A	-0.4836
45	N	A	-1.4966
46	E	A	-1.5091
47	F	A	-1.5115
48	R	A	-2.5140
49	C	A	0.0000
50	S	A	-1.9326
51	N	A	-2.4621
52	G	A	-1.9690
53	Q	A	-2.4213
54	C	A	-1.2569
55	I	A	0.0000
56	P	A	-0.9467
57	P	A	-1.6603
58	N	A	-1.8454
59	W	A	-0.5799
60	R	A	-1.6129
61	C	A	0.0000
62	D	A	-1.3608
63	G	A	-0.6641
64	V	A	0.1662
65	D	A	-2.0373
66	D	A	-1.7068
67	C	A	0.0000
68	R	A	-3.3696
69	D	A	-3.5621
70	G	A	-2.3143
71	S	A	-2.1976
72	D	A	0.0000
73	E	A	-1.2207
74	A	A	-1.1218
75	G	A	-0.9875
76	C	A	-1.4597
77	S	A	-1.0889
78	Q	A	-1.8208
79	D	A	-1.7588
80	P	A	-1.6490
81	E	A	-2.6718
82	F	A	-1.9465
83	H	A	-1.8574
84	K	A	-1.7859
85	V	A	0.7143