Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCIPATWVCDGENDCVDDSDEKSCATTAPTCLPDQFQCHDYRRCIPLGWVCDGVPDCVDNSDEANCEPPT
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: -3.216
• Maximal score value: 0.7984
• Average score: -0.8913
• Total score value: -72.1947

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	-0.3660
2	G	A	-0.8426
3	P	A	-0.9454
4	G	A	-1.3416
5	R	A	-1.6868
6	F	A	-1.0159
7	Q	A	-1.8656
8	C	A	0.0000
9	E	A	-2.7014
10	S	A	-1.6608
11	G	A	-1.5012
12	Q	A	-1.4167
13	C	A	-1.0453
14	I	A	0.0000
15	P	A	-0.5386
16	A	A	-0.6748
17	T	A	-0.1088
18	W	A	-0.5719
19	V	A	-1.2028
20	C	A	-1.9034
21	D	A	-2.6648
22	G	A	-2.2772
23	E	A	-3.2160
24	N	A	-2.9709
25	D	A	-1.7496
26	C	A	0.0000
27	V	A	0.1880
28	D	A	-1.6009
29	D	A	-2.5060
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.5583
33	K	A	-2.5477
34	S	A	-1.2936
35	C	A	-0.7911
36	A	A	-0.4646
37	T	A	-0.2915
38	T	A	-0.1274
39	A	A	-0.1342
40	P	A	-0.3235
41	T	A	-0.2167
42	C	A	-0.2096
43	L	A	0.7984
44	P	A	-0.2839
45	D	A	-1.1582
46	Q	A	-0.3834
47	F	A	-0.0937
48	Q	A	-0.8890
49	C	A	0.0000
50	H	A	-1.9311
51	D	A	-1.9594
52	Y	A	-0.7308
53	R	A	-1.9264
54	R	A	-2.1425
55	C	A	-0.8998
56	I	A	0.0000
57	P	A	0.0455
58	L	A	0.6483
59	G	A	-0.0959
60	W	A	0.5372
61	V	A	0.2612
62	C	A	-0.6103
63	D	A	-1.0911
64	G	A	-0.5059
65	V	A	0.4743
66	P	A	0.0066
67	D	A	-0.1266
68	C	A	0.0000
69	V	A	0.6273
70	D	A	-0.7748
71	N	A	-1.0490
72	S	A	-1.1208
73	D	A	0.0000
74	E	A	-1.1538
75	A	A	-1.2282
76	N	A	-1.7609
77	C	A	-1.5413
78	E	A	-2.2432
79	P	A	-1.3502
80	P	A	-0.8467
81	T	A	-0.5514