Project name: design4

Chain sequence(s)	A: ARMGGVVGSGGTLVGLLEVGKELGIGAERVYGGGRQPAEKVLAAARAAGVPRAGHTGTGVAAALEATPLEEIRVVLTTDVASDPERDFPVLRRLAEAAGATLLIQPYNEETRPLVRTDPEKTRKAFFDDDREAAIALLDRVVAA
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:19)

• Minimal score value: -4.0131
• Maximal score value: 0.9707
• Average score: -1.2905
• Total score value: -185.8341

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	-0.8494
2	R	A	-2.3179
3	M	A	0.0000
4	G	A	-1.3621
5	G	A	0.0000
6	V	A	0.0000
7	V	A	0.0000
8	G	A	0.0000
9	S	A	-0.4499
10	G	A	0.0000
11	G	A	-0.7179
12	T	A	-0.2953
13	L	A	0.0000
14	V	A	0.0000
15	G	A	0.0000
16	L	A	0.0000
17	L	A	0.0000
18	E	A	-2.9208
19	V	A	0.0000
20	G	A	0.0000
21	K	A	-3.2507
22	E	A	-2.7124
23	L	A	-0.7842
24	G	A	-1.5584
25	I	A	-1.7332
26	G	A	-1.9292
27	A	A	0.0000
28	E	A	-2.0115
29	R	A	-1.6117
30	V	A	0.0000
31	Y	A	0.0517
32	G	A	0.0000
33	G	A	0.0000
34	G	A	-1.4709
35	R	A	-2.5699
36	Q	A	0.0000
37	P	A	-1.5760
38	A	A	-1.4970
39	E	A	-2.1383
40	K	A	-1.8119
41	V	A	0.0000
42	L	A	-1.1977
43	A	A	-1.2534
44	A	A	0.0000
45	A	A	0.0000
46	R	A	-2.2511
47	A	A	-1.5066
48	A	A	-2.2374
49	G	A	-1.7544
50	V	A	0.0000
51	P	A	-1.8802
52	R	A	-2.4711
53	A	A	-1.2429
54	G	A	-0.5625
55	H	A	-0.7066
56	T	A	-0.5547
57	G	A	-1.1655
58	T	A	-0.7453
59	G	A	-0.7311
60	V	A	-0.4022
61	A	A	-0.6915
62	A	A	-0.5974
63	A	A	0.0000
64	L	A	0.0000
65	E	A	-1.6005
66	A	A	-0.7730
67	T	A	0.0000
68	P	A	-1.1655
69	L	A	-1.6407
70	E	A	-2.4206
71	E	A	-2.1650
72	I	A	0.0000
73	R	A	-2.2914
74	V	A	0.0000
75	V	A	0.0000
76	L	A	0.0000
77	T	A	0.2532
78	T	A	0.1589
79	D	A	-0.3559
80	V	A	-0.3969
81	A	A	-1.1102
82	S	A	-1.3468
83	D	A	-2.6371
84	P	A	-2.4825
85	E	A	-3.3059
86	R	A	-3.3296
87	D	A	-2.4143
88	F	A	-1.7202
89	P	A	-1.5823
90	V	A	-1.3221
91	L	A	0.0000
92	R	A	-2.1883
93	R	A	-2.6912
94	L	A	-1.7262
95	A	A	0.0000
96	E	A	-2.6616
97	A	A	-1.7610
98	A	A	-2.0841
99	G	A	-1.9803
100	A	A	-1.7475
101	T	A	-0.7913
102	L	A	-0.0365
103	L	A	0.6572
104	I	A	0.9707
105	Q	A	-0.0112
106	P	A	-0.5411
107	Y	A	-1.5396
108	N	A	-2.9721
109	E	A	-3.5542
110	E	A	-3.3120
111	T	A	-2.3702
112	R	A	-2.4038
113	P	A	-1.8696
114	L	A	-1.7783
115	V	A	-1.6118
116	R	A	-2.5037
117	T	A	-1.9460
118	D	A	-2.3848
119	P	A	-2.2116
120	E	A	-2.1363
121	K	A	-2.6074
122	T	A	-2.3906
123	R	A	-2.2583
124	K	A	-3.3296
125	A	A	-2.5038
126	F	A	-2.1962
127	F	A	0.0000
128	D	A	-4.0131
129	D	A	-3.9597
130	D	A	-3.4355
131	R	A	-3.0134
132	E	A	-2.6545
133	A	A	-1.5058
134	A	A	0.0000
135	I	A	-0.8738
136	A	A	-1.2492
137	L	A	-1.0390
138	L	A	0.0000
139	D	A	-2.4597
140	R	A	-2.3714
141	V	A	0.0000
142	V	A	-1.3923
143	A	A	-1.2863
144	A	A	-0.9912