Project name: 3B1

Chain sequence(s)	A: ARLEQTPTTTTKEAGESTINCVLRDSSCGLASTYWYFTKKGATKKESSNGGRYAETNKASKSFSLRISDLVEDSGTYHCKALAFGCQFQGYYEGGGTPLTVG
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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -3.8224
• Maximal score value: 1.2783
• Average score: -1.0049
• Total score value: -102.5045

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	-1.9457
2	R	A	-3.2266
3	L	A	0.0000
4	E	A	-2.8573
5	Q	A	0.0000
6	T	A	-0.6182
7	P	A	-0.4578
8	T	A	-0.4566
9	T	A	-0.1993
10	T	A	-0.2535
11	T	A	-0.8058
12	K	A	-1.6918
13	E	A	-2.2454
14	A	A	-1.6777
15	G	A	-1.9999
16	E	A	-2.9786
17	S	A	0.0000
18	T	A	-1.2525
19	I	A	0.0000
20	N	A	-1.2171
21	C	A	0.0000
22	V	A	-1.3764
23	L	A	0.0000
24	R	A	-3.0278
25	D	A	-2.9755
26	S	A	-1.7235
27	S	A	-0.5984
28	C	A	0.0000
29	G	A	0.1301
30	L	A	0.5100
31	A	A	0.5420
32	S	A	0.4820
33	T	A	0.0270
34	Y	A	-0.2608
35	W	A	0.0000
36	Y	A	0.0000
37	F	A	0.0000
38	T	A	-2.9897
39	K	A	-3.8224
40	K	A	-2.9776
41	G	A	-1.9522
42	A	A	-2.3342
43	T	A	-2.1694
44	K	A	-3.3924
45	K	A	-3.7808
46	E	A	-3.5742
47	S	A	-1.9222
48	S	A	0.0000
49	N	A	-2.1049
50	G	A	-1.6374
51	G	A	-1.1695
52	R	A	-2.0408
53	Y	A	-1.7977
54	A	A	-1.8051
55	E	A	-2.7506
56	T	A	-2.1467
57	N	A	-2.5817
58	K	A	-2.5686
59	A	A	-1.3154
60	S	A	-0.8697
61	K	A	-0.9981
62	S	A	0.0000
63	F	A	0.0000
64	S	A	0.0000
65	L	A	0.0000
66	R	A	-2.2779
67	I	A	0.0000
68	S	A	-2.0547
69	D	A	-2.2718
70	L	A	0.0000
71	V	A	-0.1251
72	E	A	-1.6122
73	D	A	0.0000
74	S	A	-1.3056
75	G	A	0.0000
76	T	A	-1.1526
77	Y	A	0.0000
78	H	A	-0.9012
79	C	A	0.0000
80	K	A	-0.6027
81	A	A	0.0000
82	L	A	0.9233
83	A	A	0.0000
84	F	A	1.2783
85	G	A	0.0651
86	C	A	-0.1041
87	Q	A	-0.4857
88	F	A	1.1010
89	Q	A	0.1782
90	G	A	0.8288
91	Y	A	1.0187
92	Y	A	-0.9051
93	E	A	-2.1760
94	G	A	-2.0527
95	G	A	-1.5492
96	G	A	0.0000
97	T	A	0.0000
98	P	A	-0.6504
99	L	A	0.0000
100	T	A	-0.7980
101	V	A	-0.8025
102	G	A	-1.2140