Project name: LC1_5

Chain sequence(s)	A: SEEERKKKQELSEKNIEKSKEQAEKNEPHYENLAKMMADASAAVAAAKAGDLATADAKLAAAKAYRDKNTVHKASGDAVLAATERQIAAARAARAA
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                                          (00:02:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:23)

• Minimal score value: -6.045
• Maximal score value: 0.4583
• Average score: -2.0873
• Total score value: -200.3817

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	-3.0652
2	E	A	-4.7569
3	E	A	-5.3696
4	E	A	-5.6170
5	R	A	-6.0236
6	K	A	-6.0450
7	K	A	-5.8022
8	K	A	-5.2814
9	Q	A	-4.7573
10	E	A	-4.3569
11	L	A	-2.4818
12	S	A	-2.6943
13	E	A	-3.8354
14	K	A	-3.6888
15	N	A	-3.1633
16	I	A	-2.6330
17	E	A	-4.3504
18	K	A	-4.6160
19	S	A	-3.9895
20	K	A	-4.8210
21	E	A	-5.0599
22	Q	A	-4.6382
23	A	A	-4.0023
24	E	A	-4.5872
25	K	A	-4.3141
26	N	A	-3.0528
27	E	A	-3.2422
28	P	A	-2.1266
29	H	A	-1.6498
30	Y	A	-1.0794
31	E	A	-2.2590
32	N	A	-2.0557
33	L	A	-1.2356
34	A	A	-0.8892
35	K	A	-1.6112
36	M	A	0.0000
37	M	A	-0.1638
38	A	A	-0.3345
39	D	A	0.0000
40	A	A	0.0000
41	S	A	-0.0760
42	A	A	-0.1737
43	A	A	0.0000
44	V	A	-1.2098
45	A	A	-0.6472
46	A	A	-1.1051
47	A	A	0.0000
48	K	A	-2.3508
49	A	A	-1.0987
50	G	A	-1.6882
51	D	A	-1.5705
52	L	A	-1.3931
53	A	A	-0.8648
54	T	A	-0.9407
55	A	A	0.0000
56	D	A	-2.1394
57	A	A	-1.1660
58	K	A	-1.2476
59	L	A	-1.3220
60	A	A	-1.0630
61	A	A	-1.0249
62	A	A	0.0000
63	K	A	-2.1952
64	A	A	-1.8630
65	Y	A	-2.0655
66	R	A	-2.6746
67	D	A	-3.4407
68	K	A	-2.9555
69	N	A	0.0000
70	T	A	-0.8516
71	V	A	0.4583
72	H	A	-0.5664
73	K	A	-2.0032
74	A	A	-0.8063
75	S	A	-0.5130
76	G	A	0.0000
77	D	A	-1.4550
78	A	A	-0.3020
79	V	A	-0.2514
80	L	A	-0.9550
81	A	A	-1.0980
82	A	A	-1.2025
83	T	A	0.0000
84	E	A	-2.8124
85	R	A	-3.1124
86	Q	A	-2.5824
87	I	A	0.0000
88	A	A	-1.8773
89	A	A	-1.9482
90	A	A	-2.3122
91	R	A	-2.8596
92	A	A	-1.3958
93	A	A	-1.5118
94	R	A	-2.5593
95	A	A	-1.2207
96	A	A	-0.7174