Project name: 3537

Chain sequence(s)	A: DPRLAELRAMRDRVLAGEVEHVYDVLAQVSVLLGQPPKKLSPELKSEALELLKALLRQANPGQLTDTEIQQEANRILSYLLGFP
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -2.9841
• Maximal score value: 2.0343
• Average score: -1.0604
• Total score value: -89.0729

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	-2.2032
2	P	A	-1.3181
3	R	A	0.0000
4	L	A	-1.6403
5	A	A	-1.4780
6	E	A	-2.3063
7	L	A	0.0000
8	R	A	-2.7919
9	A	A	-2.2322
10	M	A	-1.9786
11	R	A	-2.2863
12	D	A	-2.9539
13	R	A	-2.9841
14	V	A	0.0000
15	L	A	-0.3597
16	A	A	-1.0062
17	G	A	-1.7514
18	E	A	-2.7748
19	V	A	-2.3719
20	E	A	-2.8399
21	H	A	-2.0087
22	V	A	-0.7680
23	Y	A	0.0948
24	D	A	-1.6683
25	V	A	0.0000
26	L	A	0.3308
27	A	A	0.1612
28	Q	A	-0.3035
29	V	A	0.0000
30	S	A	0.7255
31	V	A	1.4543
32	L	A	0.4476
33	L	A	0.0000
34	G	A	-0.3733
35	Q	A	-0.9706
36	P	A	-1.6519
37	P	A	-1.9868
38	K	A	-2.9025
39	K	A	-2.8136
40	L	A	0.0000
41	S	A	-1.8916
42	P	A	-1.6902
43	E	A	-2.4220
44	L	A	0.0000
45	K	A	-1.7636
46	S	A	-1.4889
47	E	A	0.0000
48	A	A	0.0000
49	L	A	-1.2246
50	E	A	-1.6609
51	L	A	0.0000
52	L	A	0.0000
53	K	A	-2.0288
54	A	A	0.0000
55	L	A	0.0000
56	L	A	-1.6175
57	R	A	-2.6273
58	Q	A	-1.6573
59	A	A	-1.1391
60	N	A	-1.6305
61	P	A	-1.6860
62	G	A	-1.7570
63	Q	A	-1.8273
64	L	A	-1.7021
65	T	A	-1.9976
66	D	A	-2.8113
67	T	A	-1.9930
68	E	A	-2.5520
69	I	A	0.0000
70	Q	A	-2.5592
71	Q	A	-2.8387
72	E	A	-2.2129
73	A	A	0.0000
74	N	A	-1.7888
75	R	A	-1.1512
76	I	A	-0.0273
77	L	A	0.0000
78	S	A	0.7804
79	Y	A	1.6050
80	L	A	1.3785
81	L	A	0.5228
82	G	A	1.0703
83	F	A	2.0343
84	P	A	0.7923