Project name: LC1_5

Chain sequence(s)	A: KTDELAAKSSIAAIELLTELAIESIKRKAKEAEKRDGEEAKKEIEEIAKQTIEAIESIAEKTEEVLKSEENKKRVREAAKKAIERVKEAAKRGIKEIEKLE
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                                          (00:04:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:41)

• Minimal score value: -5.1151
• Maximal score value: 0.9833
• Average score: -2.2096
• Total score value: -223.1733

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	K	A	-1.7061
2	T	A	-0.9039
3	D	A	-1.1035
4	E	A	-1.5085
5	L	A	-0.1724
6	A	A	-0.1543
7	A	A	0.0000
8	K	A	-1.1073
9	S	A	-0.5994
10	S	A	0.0000
11	I	A	-0.7235
12	A	A	-0.3039
13	A	A	-0.0454
14	I	A	0.0000
15	E	A	-0.9892
16	L	A	0.9833
17	L	A	0.6363
18	T	A	0.0000
19	E	A	-0.4838
20	L	A	0.6359
21	A	A	0.0000
22	I	A	-1.2822
23	E	A	-2.4073
24	S	A	-1.9929
25	I	A	0.0000
26	K	A	-3.7259
27	R	A	-4.0349
28	K	A	-3.9438
29	A	A	0.0000
30	K	A	-4.5526
31	E	A	-4.6383
32	A	A	0.0000
33	E	A	-4.4134
34	K	A	-4.4636
35	R	A	-5.1151
36	D	A	-4.7844
37	G	A	-4.8689
38	E	A	-4.5198
39	E	A	-4.3129
40	A	A	0.0000
41	K	A	-4.2011
42	K	A	-4.1315
43	E	A	-3.7220
44	I	A	0.0000
45	E	A	-3.7087
46	E	A	-3.7480
47	I	A	-2.4763
48	A	A	0.0000
49	K	A	-3.6531
50	Q	A	-3.1492
51	T	A	0.0000
52	I	A	-2.3786
53	E	A	-2.7752
54	A	A	-1.6856
55	I	A	0.0000
56	E	A	-2.7194
57	S	A	-1.9534
58	I	A	-1.4606
59	A	A	0.0000
60	E	A	-3.5388
61	K	A	-3.0641
62	T	A	0.0000
63	E	A	-3.2764
64	E	A	-2.6518
65	V	A	-0.4497
66	L	A	0.0000
67	K	A	-2.5502
68	S	A	-2.6871
69	E	A	-3.9484
70	E	A	-3.9391
71	N	A	0.0000
72	K	A	-4.2534
73	K	A	-4.5911
74	R	A	-3.9759
75	V	A	0.0000
76	R	A	-4.6170
77	E	A	-4.4402
78	A	A	-3.2500
79	A	A	0.0000
80	K	A	-4.2875
81	K	A	-4.1611
82	A	A	0.0000
83	I	A	-3.2915
84	E	A	-3.7085
85	R	A	-3.0919
86	V	A	0.0000
87	K	A	-3.5273
88	E	A	-3.5953
89	A	A	-3.0993
90	A	A	0.0000
91	K	A	-4.1958
92	R	A	-4.4544
93	G	A	0.0000
94	I	A	-3.9695
95	K	A	-4.3746
96	E	A	-4.4565
97	I	A	0.0000
98	E	A	-4.3946
99	K	A	-3.5192
100	L	A	-2.1968
101	E	A	-3.2519