Project name: CTP

Chain sequence(s)	A: PEGSQRVGLVASQKNDPDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.5575
• Maximal score value: 1.8414
• Average score: -0.6143
• Total score value: -43.0

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	P	A	-1.4463
2	E	A	-2.4204
3	G	A	-2.2411
4	S	A	-2.1531
5	Q	A	-2.3257
6	R	A	-1.8649
7	V	A	-0.2035
8	G	A	0.4853
9	L	A	1.4159
10	V	A	1.8414
11	A	A	0.0940
12	S	A	-0.6838
13	Q	A	-2.2527
14	K	A	-3.0337
15	N	A	-2.9437
16	D	A	-3.5575
17	P	A	-1.9603
18	D	A	-1.6529
19	A	A	0.3032
20	V	A	0.9329
21	A	A	0.0000
22	L	A	-0.2343
23	M	A	-0.9731
24	H	A	-1.8129
25	P	A	-1.9245
26	D	A	-2.4312
27	G	A	-1.9803
28	S	A	-1.4220
29	A	A	0.0000
30	V	A	0.0000
31	V	A	0.0000
32	V	A	1.1001
33	V	A	0.0000
34	L	A	0.3182
35	N	A	0.0000
36	R	A	-1.8823
37	S	A	-1.7786
38	S	A	-1.4136
39	K	A	-2.7300
40	D	A	-1.9408
41	V	A	-1.1208
42	P	A	-0.4634
43	L	A	-0.3706
44	T	A	-0.3950
45	I	A	0.0000
46	K	A	-0.6028
47	D	A	0.0000
48	P	A	-0.0421
49	A	A	-0.0015
50	V	A	0.8723
51	G	A	0.8064
52	F	A	1.1479
53	L	A	0.2961
54	E	A	-1.2004
55	T	A	-0.1230
56	I	A	0.2704
57	S	A	0.0000
58	P	A	-0.4182
59	G	A	-0.7622
60	Y	A	0.4849
61	S	A	0.7823
62	I	A	1.8215
63	H	A	1.0308
64	T	A	0.9520
65	Y	A	1.0261
66	L	A	1.3318
67	W	A	-0.0367
68	R	A	-2.1210
69	R	A	-1.6440
70	Q	A	-1.7486