Project name: LC1_2

Chain sequence(s)	A: SEAKERASDLKAEAAARALAIIDAARAAVAAADPALAPLALAASGEAASAIALGMQEGLEVGVERVREVAERAPPAMAAALREAARLLEEAGRRVEELL
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -4.8408
• Maximal score value: 1.0714
• Average score: -1.3308
• Total score value: -131.7499

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	S	A	-2.2324
2	E	A	-3.4959
3	A	A	-2.7689
4	K	A	-3.6555
5	E	A	-4.7976
6	R	A	-4.2297
7	A	A	0.0000
8	S	A	-3.2481
9	D	A	-3.8589
10	L	A	0.0000
11	K	A	-2.4982
12	A	A	-2.0092
13	E	A	-2.7399
14	A	A	0.0000
15	A	A	0.0000
16	A	A	-1.0896
17	R	A	-1.9071
18	A	A	0.0000
19	L	A	-0.1619
20	A	A	-0.4430
21	I	A	-0.2182
22	I	A	0.0000
23	D	A	-1.0891
24	A	A	-0.4050
25	A	A	-0.2141
26	R	A	-0.2812
27	A	A	-0.2472
28	A	A	-0.3572
29	V	A	0.0000
30	A	A	-0.0313
31	A	A	-0.2255
32	A	A	-0.3924
33	D	A	-0.8724
34	P	A	-0.4576
35	A	A	-0.0689
36	L	A	0.4395
37	A	A	0.4184
38	P	A	0.7693
39	L	A	1.0714
40	A	A	0.0000
41	L	A	1.0455
42	A	A	0.3301
43	A	A	0.0000
44	S	A	0.0000
45	G	A	-1.0291
46	E	A	-2.2682
47	A	A	0.0000
48	A	A	-0.7309
49	S	A	-1.0122
50	A	A	0.0000
51	I	A	0.0000
52	A	A	-0.4404
53	L	A	-0.8244
54	G	A	0.0000
55	M	A	-0.9382
56	Q	A	-1.7820
57	E	A	-2.4093
58	G	A	-1.5978
59	L	A	0.0000
60	E	A	-3.2697
61	V	A	-1.9898
62	G	A	0.0000
63	V	A	0.0000
64	E	A	-4.0305
65	R	A	-3.9714
66	V	A	0.0000
67	R	A	-4.8408
68	E	A	-4.8019
69	V	A	-3.6112
70	A	A	0.0000
71	E	A	-3.8273
72	R	A	-3.1221
73	A	A	-1.3540
74	P	A	0.0000
75	P	A	-0.6913
76	A	A	-0.1211
77	M	A	0.0000
78	A	A	-1.7372
79	A	A	-1.0338
80	A	A	0.0000
81	L	A	0.0000
82	R	A	-3.3385
83	E	A	-2.3129
84	A	A	0.0000
85	A	A	0.0000
86	R	A	-3.5189
87	L	A	-2.6122
88	L	A	0.0000
89	E	A	-4.2720
90	E	A	-4.1427
91	A	A	0.0000
92	G	A	-3.8087
93	R	A	-4.7748
94	R	A	-4.0066
95	V	A	0.0000
96	E	A	-3.2817
97	E	A	-2.9047
98	L	A	-1.3979
99	L	A	-0.0219