Project name: LC1_5

Chain sequence(s)	A: SLAEEALELLREAAERAVALVAAADPARAPEVAATAEKLLAYAEEIGTASGAYAAAAALEAILYALAQQLAAADAAAAALAEEARRVAREVRERILELIEKE
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -4.0019
• Maximal score value: 0.9498
• Average score: -1.1343
• Total score value: -115.7015

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	-1.1135
2	L	A	-1.3231
3	A	A	-1.6144
4	E	A	-3.2454
5	E	A	-2.9895
6	A	A	0.0000
7	L	A	-2.7301
8	E	A	-3.6144
9	L	A	-2.7871
10	L	A	0.0000
11	R	A	-4.0019
12	E	A	-3.9041
13	A	A	0.0000
14	A	A	0.0000
15	E	A	-3.5713
16	R	A	-2.8620
17	A	A	0.0000
18	V	A	-0.9853
19	A	A	-0.6229
20	L	A	-0.4185
21	V	A	0.0000
22	A	A	-0.3000
23	A	A	0.1511
24	A	A	-0.2645
25	D	A	-0.7529
26	P	A	-0.8079
27	A	A	-0.9235
28	R	A	-1.6377
29	A	A	-1.0533
30	P	A	-1.2400
31	E	A	-1.9572
32	V	A	0.0000
33	A	A	-1.5422
34	A	A	-1.5009
35	T	A	-1.3946
36	A	A	0.0000
37	E	A	-2.8866
38	K	A	-2.2624
39	L	A	-1.2709
40	L	A	-1.6790
41	A	A	-1.3273
42	Y	A	-0.3247
43	A	A	0.0000
44	E	A	-2.4792
45	E	A	-1.9072
46	I	A	-0.4305
47	G	A	-1.3650
48	T	A	-0.6845
49	A	A	0.0000
50	S	A	0.2977
51	G	A	0.0000
52	A	A	0.0000
53	Y	A	0.1499
54	A	A	0.3097
55	A	A	0.0000
56	A	A	0.0000
57	A	A	-0.2591
58	A	A	0.2676
59	L	A	0.0000
60	E	A	-0.5069
61	A	A	0.5943
62	I	A	0.9498
63	L	A	0.0000
64	Y	A	0.4973
65	A	A	0.0471
66	L	A	0.0000
67	A	A	0.0000
68	Q	A	-1.5100
69	Q	A	-1.7146
70	L	A	0.0000
71	A	A	-1.1516
72	A	A	-0.8425
73	A	A	-0.8825
74	D	A	-1.3802
75	A	A	-0.4021
76	A	A	-0.2152
77	A	A	0.0000
78	A	A	-0.7112
79	A	A	-0.2584
80	L	A	-0.0560
81	A	A	0.0000
82	E	A	-1.2901
83	E	A	-1.4915
84	A	A	0.0000
85	R	A	-1.6399
86	R	A	-2.6643
87	V	A	-2.2610
88	A	A	0.0000
89	R	A	-2.9740
90	E	A	-3.2515
91	V	A	0.0000
92	R	A	-2.4864
93	E	A	-3.3189
94	R	A	-3.5840
95	I	A	0.0000
96	L	A	-1.9910
97	E	A	-3.6643
98	L	A	0.0000
99	I	A	-2.1698
100	E	A	-3.6339
101	K	A	-3.6218
102	E	A	-3.2578