Project name: design3

Chain sequence(s)	A: MRMGGVVGSGGTLVGILEVGRELGIGAERVYGGGRQPAEEVLAAARAAGVPRAGHTGKGVAEALKATPLEEVRVVLTSDVASDPEKDFPVLEALAKAAGAELIVQPYDAETRPLVRTDPARTRRLFFDEDRAAAEALLRRVVAA
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)

• Minimal score value: -4.1826
• Maximal score value: 0.9254
• Average score: -1.251
• Total score value: -180.1412

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	M	A	0.4823
2	R	A	-0.9316
3	M	A	0.0000
4	G	A	-1.0862
5	G	A	0.0000
6	V	A	0.0000
7	V	A	0.0000
8	G	A	0.0000
9	S	A	-0.6479
10	G	A	0.0000
11	G	A	-0.9399
12	T	A	-0.3315
13	L	A	0.0000
14	V	A	0.0000
15	G	A	0.0000
16	I	A	0.0000
17	L	A	0.0000
18	E	A	-2.3329
19	V	A	0.0000
20	G	A	0.0000
21	R	A	-3.2385
22	E	A	-2.7833
23	L	A	-1.1042
24	G	A	-1.3270
25	I	A	-1.0631
26	G	A	0.0000
27	A	A	0.0000
28	E	A	-2.2232
29	R	A	-2.1506
30	V	A	0.0000
31	Y	A	-0.1930
32	G	A	0.0000
33	G	A	0.0000
34	G	A	-2.0375
35	R	A	-2.7985
36	Q	A	-2.2552
37	P	A	-1.7570
38	A	A	-1.7003
39	E	A	-2.5084
40	E	A	-2.5805
41	V	A	0.0000
42	L	A	-1.4153
43	A	A	-1.6131
44	A	A	0.0000
45	A	A	0.0000
46	R	A	-2.4725
47	A	A	-1.7054
48	A	A	-2.0958
49	G	A	-1.9130
50	V	A	0.0000
51	P	A	-1.9773
52	R	A	-2.6656
53	A	A	-1.4481
54	G	A	-0.6620
55	H	A	-1.0866
56	T	A	-1.2489
57	G	A	-1.9760
58	K	A	-2.6118
59	G	A	-1.8855
60	V	A	-1.1262
61	A	A	-1.2801
62	E	A	-2.3035
63	A	A	0.0000
64	L	A	0.0000
65	K	A	-1.9367
66	A	A	-1.0626
67	T	A	-1.1246
68	P	A	-1.0836
69	L	A	-1.4879
70	E	A	-2.2559
71	E	A	-2.0140
72	V	A	0.0000
73	R	A	-1.7808
74	V	A	0.0000
75	V	A	0.0000
76	L	A	0.0000
77	T	A	0.0000
78	S	A	0.0000
79	D	A	-0.2056
80	V	A	-0.2174
81	A	A	-0.8166
82	S	A	-0.9725
83	D	A	-1.8436
84	P	A	-1.9614
85	E	A	-2.9794
86	K	A	-2.9736
87	D	A	-2.1570
88	F	A	-1.1912
89	P	A	-1.0673
90	V	A	-0.8321
91	L	A	0.0000
92	E	A	-1.0311
93	A	A	-0.6752
94	L	A	-0.8305
95	A	A	0.0000
96	K	A	-1.9903
97	A	A	-1.1384
98	A	A	0.0000
99	G	A	-1.7701
100	A	A	-1.8575
101	E	A	-1.6415
102	L	A	-0.4431
103	I	A	0.0000
104	V	A	0.9254
105	Q	A	0.0580
106	P	A	-0.5537
107	Y	A	-1.2532
108	D	A	-2.5450
109	A	A	-1.9656
110	E	A	-2.5555
111	T	A	-2.0210
112	R	A	-2.0587
113	P	A	-1.5785
114	L	A	-1.4973
115	V	A	-1.5545
116	R	A	-2.4802
117	T	A	-1.8370
118	D	A	-1.9904
119	P	A	-2.1238
120	A	A	-1.6576
121	R	A	-2.5679
122	T	A	-2.1924
123	R	A	-2.6343
124	R	A	-3.7202
125	L	A	-2.3908
126	F	A	-2.0905
127	F	A	0.0000
128	D	A	-4.1826
129	E	A	-3.9077
130	D	A	-3.3009
131	R	A	-2.9506
132	A	A	-1.4753
133	A	A	-1.2001
134	A	A	0.0000
135	E	A	-1.7565
136	A	A	-1.5018
137	L	A	0.0000
138	L	A	0.0000
139	R	A	-2.7835
140	R	A	-2.8722
141	V	A	0.0000
142	V	A	-1.1279
143	A	A	-1.3429
144	A	A	-1.1183