Project name: LC1_2_AR37A

Chain sequence(s)	A: SEAKERASDLKAEAAARALAIIDAARAAVAAADPALRPLALAASGEAASAIALGMQEGLEVGVERVREVAERAPPAMAAALREAARLLEEAGRRVEELL
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -4.8907
• Maximal score value: 0.6209
• Average score: -1.3959
• Total score value: -138.1951

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	-2.2325
2	E	A	-3.4962
3	A	A	-2.7700
4	K	A	-3.6558
5	E	A	-4.7969
6	R	A	-4.2297
7	A	A	0.0000
8	S	A	-3.2457
9	D	A	-3.8578
10	L	A	0.0000
11	K	A	-2.5201
12	A	A	-2.0029
13	E	A	-2.7289
14	A	A	0.0000
15	A	A	0.0000
16	A	A	-1.0722
17	R	A	-1.8698
18	A	A	0.0000
19	L	A	-0.1504
20	A	A	-0.4302
21	I	A	-0.2007
22	I	A	0.0000
23	D	A	-1.1249
24	A	A	-0.4059
25	A	A	-0.2483
26	R	A	-0.5648
27	A	A	-0.4577
28	A	A	-0.4953
29	V	A	0.0000
30	A	A	-0.5308
31	A	A	-0.4093
32	A	A	-0.5485
33	D	A	-1.1425
34	P	A	-0.8530
35	A	A	-0.3965
36	L	A	-0.1117
37	R	A	-0.7229
38	P	A	0.1389
39	L	A	0.6209
40	A	A	0.0000
41	L	A	0.4259
42	A	A	0.0156
43	A	A	0.0000
44	S	A	0.0000
45	G	A	-1.1167
46	E	A	-2.2957
47	A	A	0.0000
48	A	A	-0.7334
49	S	A	-1.0031
50	A	A	0.0000
51	I	A	0.0000
52	A	A	-0.4480
53	L	A	-0.8265
54	G	A	0.0000
55	M	A	-0.9409
56	Q	A	-1.7867
57	E	A	-2.4126
58	G	A	-1.5987
59	L	A	0.0000
60	E	A	-3.2527
61	V	A	-1.9551
62	G	A	0.0000
63	V	A	0.0000
64	E	A	-3.9349
65	R	A	-3.8203
66	V	A	0.0000
67	R	A	-4.7077
68	E	A	-4.6976
69	V	A	-3.5417
70	A	A	0.0000
71	E	A	-3.7995
72	R	A	-3.1096
73	A	A	-1.3802
74	P	A	0.0000
75	P	A	-0.6912
76	A	A	-0.1208
77	M	A	0.0000
78	A	A	-1.7139
79	A	A	-1.0125
80	A	A	0.0000
81	L	A	0.0000
82	R	A	-3.3070
83	E	A	-2.2776
84	A	A	0.0000
85	A	A	0.0000
86	R	A	-3.5702
87	L	A	-2.6328
88	L	A	0.0000
89	E	A	-4.3282
90	E	A	-4.2595
91	A	A	0.0000
92	G	A	-3.8921
93	R	A	-4.8907
94	R	A	-4.2269
95	V	A	0.0000
96	E	A	-3.3553
97	E	A	-2.9791
98	L	A	-1.4542
99	L	A	-0.0509