Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCIPATWVCDGENDCVDDSDEKSCATTAPTCPSGQFKCNSGRCVPPNWLCDGVNDCPDNSDEANCPPRT
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -3.2507
• Maximal score value: 0.3585
• Average score: -1.118
• Total score value: -89.4393

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	-0.2842
2	G	A	-0.8462
3	P	A	-0.9546
4	G	A	-1.3620
5	R	A	-1.6786
6	F	A	-0.9915
7	Q	A	-1.7929
8	C	A	0.0000
9	E	A	-2.5936
10	S	A	-1.5025
11	G	A	-1.3047
12	Q	A	-1.0030
13	C	A	-0.7571
14	I	A	0.0000
15	P	A	-0.5594
16	A	A	-0.6244
17	T	A	-0.2771
18	W	A	-0.4865
19	V	A	-1.0588
20	C	A	-1.5541
21	D	A	-2.1312
22	G	A	-2.2483
23	E	A	-3.2507
24	N	A	-2.9222
25	D	A	-1.5354
26	C	A	0.0000
27	V	A	0.3585
28	D	A	-1.4082
29	D	A	-2.4001
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.5618
33	K	A	-2.5683
34	S	A	-1.3283
35	C	A	-0.7566
36	A	A	-0.4031
37	T	A	-0.2715
38	T	A	-0.0621
39	A	A	-0.1628
40	P	A	-0.7238
41	T	A	-0.4757
42	C	A	-0.8586
43	P	A	-0.5357
44	S	A	-0.5438
45	G	A	-0.9752
46	Q	A	-0.9243
47	F	A	-0.7057
48	K	A	-1.6156
49	C	A	0.0000
50	N	A	-2.2791
51	S	A	-1.9457
52	G	A	-1.8308
53	R	A	-2.2791
54	C	A	-1.3283
55	V	A	0.0000
56	P	A	-0.5877
57	P	A	-0.9642
58	N	A	-1.4183
59	W	A	-0.5709
60	L	A	-0.6641
61	C	A	-1.3527
62	D	A	-1.7709
63	G	A	-0.9406
64	V	A	-0.1872
65	N	A	-1.5491
66	D	A	-1.2451
67	C	A	0.0000
68	P	A	-1.7249
69	D	A	-2.1284
70	N	A	-2.0517
71	S	A	-1.9059
72	D	A	0.0000
73	E	A	-1.2670
74	A	A	-1.0476
75	N	A	-1.2966
76	C	A	-1.0370
77	P	A	-1.0426
78	P	A	-1.3443
79	R	A	-1.9992
80	T	A	-1.0386