Project name: ProtoPol

Chain sequence(s)	A: GSHMDLETLRARREAVLSLCARHGAVRVRVFGSVARGEAREDSDLDLLVAFEEGRTLLDHARLKLALEGLLGVRVDIVSERGLAPRLREQVLREAIPL
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -4.0617
• Maximal score value: 1.6919
• Average score: -1.0843
• Total score value: -106.2661

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
-2	G	A	-0.6839
-1	S	A	-1.1373
0	H	A	-1.7028
1	M	A	-1.3412
2	D	A	-2.1718
3	L	A	-1.8404
4	E	A	-2.6150
5	T	A	-1.9922
6	L	A	0.0000
7	R	A	-3.0736
8	A	A	-2.3365
9	R	A	-2.3071
10	R	A	0.0000
11	E	A	-2.3356
12	A	A	-1.2238
13	V	A	0.0000
14	L	A	-0.5175
15	S	A	-0.6974
16	L	A	-0.5761
17	C	A	0.0000
18	A	A	-0.2093
19	R	A	-1.4765
20	H	A	0.0000
21	G	A	0.0000
22	A	A	0.0000
23	V	A	0.8890
24	R	A	-0.0476
25	V	A	0.0000
26	R	A	0.1141
27	V	A	0.0000
28	F	A	-1.0198
29	G	A	-1.4778
30	S	A	-1.8881
31	V	A	0.0000
32	A	A	-1.3674
33	R	A	-2.5981
34	G	A	-2.5844
35	E	A	-2.7863
36	A	A	-3.0695
37	R	A	-4.0617
38	E	A	-3.8861
39	D	A	-3.7344
40	S	A	-3.1501
41	D	A	-2.5360
42	L	A	0.0000
43	D	A	-1.1324
44	L	A	0.0000
45	L	A	0.0000
46	V	A	0.0000
47	A	A	-0.5897
48	F	A	-0.8707
49	E	A	-2.4052
50	E	A	-2.9761
51	G	A	-2.0389
52	R	A	-1.2800
53	T	A	0.1015
54	L	A	1.6919
55	L	A	1.4040
56	D	A	-0.1205
57	H	A	0.3449
58	A	A	0.1460
59	R	A	-1.0539
60	L	A	0.0000
61	K	A	-0.7144
62	L	A	0.0139
63	A	A	-0.2465
64	L	A	0.0000
65	E	A	-1.0107
66	G	A	-0.5232
67	L	A	-0.0378
68	L	A	0.0000
69	G	A	-0.6764
70	V	A	-0.7555
71	R	A	-2.2025
72	V	A	0.0000
73	D	A	-1.5235
74	I	A	-0.4180
75	V	A	-0.2169
76	S	A	-0.4436
77	E	A	0.0000
78	R	A	-2.0033
79	G	A	-1.3214
80	L	A	-1.1193
81	A	A	-1.3980
82	P	A	-2.0087
83	R	A	-2.6028
84	L	A	-1.5855
85	R	A	-2.6544
86	E	A	-3.4801
87	Q	A	-3.1158
88	V	A	0.0000
89	L	A	-1.8835
90	R	A	-2.7488
91	E	A	-2.2851
92	A	A	0.0000
93	I	A	0.0943
94	P	A	0.3951
95	L	A	0.4276