Project name: 4A1

Chain sequence(s)	A: ARLEQTPTTTTKEAGESTINCVLRDSSCALASTNWHFTKKGATKKESLNGGRYAETNKASKSFSLRISDLVEDSGTYHCKALAFGCQFQGYYEGGGTILTVK
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.5481
• Maximal score value: 1.0879
• Average score: -1.0311
• Total score value: -105.1682

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	-1.9133
2	R	A	-3.1740
3	L	A	0.0000
4	E	A	-2.7035
5	Q	A	0.0000
6	T	A	-0.4712
7	P	A	-0.2338
8	T	A	-0.0566
9	T	A	0.4013
10	T	A	0.1429
11	T	A	-0.7953
12	K	A	-1.8852
13	E	A	-2.6332
14	A	A	-1.7539
15	G	A	-1.7379
16	E	A	-2.6024
17	S	A	0.0000
18	T	A	-1.1555
19	I	A	0.0000
20	N	A	-1.1881
21	C	A	0.0000
22	V	A	-1.3768
23	L	A	0.0000
24	R	A	-2.8911
25	D	A	-2.7295
26	S	A	-1.6449
27	S	A	-0.6650
28	C	A	0.0000
29	A	A	0.1395
30	L	A	0.4189
31	A	A	0.4323
32	S	A	0.0699
33	T	A	-0.8104
34	N	A	-1.6043
35	W	A	0.0000
36	H	A	-2.1782
37	F	A	0.0000
38	T	A	-2.3923
39	K	A	-2.8050
40	K	A	-2.3988
41	G	A	-1.7409
42	A	A	-1.8349
43	T	A	-1.9861
44	K	A	-3.1961
45	K	A	-3.5481
46	E	A	-3.3633
47	S	A	-2.1457
48	L	A	0.0000
49	N	A	-2.3907
50	G	A	-1.8963
51	G	A	-1.8070
52	R	A	-3.2345
53	Y	A	-2.3356
54	A	A	-1.9518
55	E	A	-2.5331
56	T	A	-1.9502
57	N	A	-2.4898
58	K	A	-2.5329
59	A	A	-1.3457
60	S	A	-0.8771
61	K	A	-1.0180
62	S	A	-1.3504
63	F	A	0.0000
64	S	A	0.0000
65	L	A	0.0000
66	R	A	-2.4889
67	I	A	0.0000
68	S	A	-2.3513
69	D	A	-2.3909
70	L	A	0.0000
71	V	A	-0.2621
72	E	A	-1.6464
73	D	A	0.0000
74	S	A	-1.0047
75	G	A	0.0000
76	T	A	-0.4213
77	Y	A	0.0000
78	H	A	-1.0040
79	C	A	0.0000
80	K	A	-1.3239
81	A	A	0.0000
82	L	A	0.5385
83	A	A	0.0000
84	F	A	1.0879
85	G	A	-0.0001
86	C	A	-0.1135
87	Q	A	-0.4964
88	F	A	1.0811
89	Q	A	0.1336
90	G	A	0.7330
91	Y	A	0.9174
92	Y	A	-0.9808
93	E	A	-2.4400
94	G	A	0.0000
95	G	A	-1.4294
96	G	A	0.0000
97	T	A	0.0000
98	I	A	0.9312
99	L	A	0.0000
100	T	A	-0.7309
101	V	A	-1.3856
102	K	A	-2.3971