Project name: 3cea6878d9794e8

Chain sequence(s)	A: AALEAYKTALAAVKAAAAAFLAEVKRDLGDSPEVQAMLALAAQLDATTDAMVAALDAREWARARALAAEVAALVAQLVAQADAIVGRLSAAAQAAYAALVAARAATAAALAALEAAIAAL
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.3539
• Maximal score value: 1.6785
• Average score: -0.7076
• Total score value: -84.908

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	A	A	-0.5407
2	A	A	-0.5088
3	L	A	-1.0474
4	E	A	-2.0865
5	A	A	-0.9040
6	Y	A	0.0000
7	K	A	-1.2255
8	T	A	-0.7714
9	A	A	-0.5433
10	L	A	0.0000
11	A	A	-0.1312
12	A	A	-0.1661
13	V	A	-0.1456
14	K	A	-0.5334
15	A	A	0.0663
16	A	A	0.1208
17	A	A	0.0343
18	A	A	0.1258
19	A	A	-0.0333
20	F	A	0.0000
21	L	A	-0.4178
22	A	A	-0.9052
23	E	A	-1.4630
24	V	A	0.0000
25	K	A	-2.6700
26	R	A	-2.8826
27	D	A	-2.1602
28	L	A	-1.7522
29	G	A	-2.2963
30	D	A	-2.7946
31	S	A	-1.6880
32	P	A	-1.2843
33	E	A	-1.3019
34	V	A	0.0000
35	Q	A	-1.8779
36	A	A	-0.7930
37	M	A	0.0000
38	L	A	-0.4029
39	A	A	-0.2626
40	L	A	-0.4457
41	A	A	-0.4318
42	A	A	-0.7600
43	Q	A	-1.5158
44	L	A	0.0000
45	D	A	-2.0312
46	A	A	-1.5167
47	T	A	-1.4645
48	T	A	0.0000
49	D	A	-2.0749
50	A	A	-1.2567
51	M	A	0.0000
52	V	A	-1.1974
53	A	A	-1.5319
54	A	A	0.0000
55	L	A	0.0000
56	D	A	-2.7037
57	A	A	-2.1470
58	R	A	-3.2003
59	E	A	-3.3539
60	W	A	-2.0401
61	A	A	-1.5542
62	R	A	-2.4714
63	A	A	0.0000
64	R	A	-1.7410
65	A	A	-1.2163
66	L	A	0.0000
67	A	A	-0.8494
68	A	A	-0.9811
69	E	A	-1.5688
70	V	A	-0.9904
71	A	A	-0.2848
72	A	A	-0.4128
73	L	A	-0.4602
74	V	A	0.0009
75	A	A	-0.2112
76	Q	A	-0.9351
77	L	A	-0.1993
78	V	A	-0.1235
79	A	A	-0.7624
80	Q	A	-0.9122
81	A	A	0.0000
82	D	A	-2.0736
83	A	A	-1.1668
84	I	A	0.0000
85	V	A	-1.3300
86	G	A	-1.6240
87	R	A	-2.2173
88	L	A	-1.4426
89	S	A	-0.9170
90	A	A	-0.4008
91	A	A	-0.2336
92	A	A	0.0000
93	Q	A	-0.9910
94	A	A	-0.0630
95	A	A	0.0428
96	Y	A	0.0000
97	A	A	0.2345
98	A	A	0.2644
99	L	A	0.3116
100	V	A	0.7278
101	A	A	0.2400
102	A	A	-0.1443
103	R	A	-0.8161
104	A	A	-0.1918
105	A	A	-0.0663
106	T	A	0.0000
107	A	A	-0.1089
108	A	A	-0.0119
109	A	A	-0.2456
110	L	A	0.1872
111	A	A	0.0658
112	A	A	0.0803
113	L	A	0.0000
114	E	A	-0.4884
115	A	A	0.1056
116	A	A	0.4067
117	I	A	0.4579
118	A	A	0.5791
119	A	A	0.8301
120	L	A	1.6785