Project name: design6

Chain sequence(s)	A: KEWHTNPAILDARLVAREVSYRHFDRLAVELAAEGRDEEAALMAEAARLVREAIEALKAGDHETASELVGKALELQLEVLRLLKAPPSVLDAQQEIIDAFKNGGIVERLQLFIRYVTDLDPTWTPEERAALTAALQARIDAL
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                                          (00:03:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:46)

• Minimal score value: -4.067
• Maximal score value: 0.1459
• Average score: -1.2138
• Total score value: -172.3585

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	K	A	-2.6795
2	E	A	-2.6005
3	W	A	-1.4383
4	H	A	-1.6013
5	T	A	-1.2707
6	N	A	-1.3511
7	P	A	-1.0452
8	A	A	-0.7544
9	I	A	0.0000
10	L	A	-0.9953
11	D	A	-1.5367
12	A	A	0.0000
13	R	A	0.0000
14	L	A	-0.7027
15	V	A	0.1342
16	A	A	0.0000
17	R	A	-1.2514
18	E	A	-1.9963
19	V	A	-1.2171
20	S	A	0.0000
21	Y	A	-2.2180
22	R	A	-2.5717
23	H	A	0.0000
24	F	A	0.0000
25	D	A	-1.7027
26	R	A	-1.0020
27	L	A	0.0000
28	A	A	0.0000
29	V	A	0.1459
30	E	A	-1.5171
31	L	A	0.0000
32	A	A	-1.7203
33	A	A	-1.4632
34	E	A	-2.6345
35	G	A	-2.4526
36	R	A	-2.7010
37	D	A	-3.1227
38	E	A	-2.9386
39	E	A	0.0000
40	A	A	0.0000
41	A	A	-1.1075
42	L	A	-1.1949
43	M	A	0.0000
44	A	A	-1.0016
45	E	A	-1.7959
46	A	A	0.0000
47	A	A	0.0000
48	R	A	-2.9286
49	L	A	0.0000
50	V	A	0.0000
51	R	A	-4.0670
52	E	A	-3.6801
53	A	A	0.0000
54	I	A	-2.6494
55	E	A	-3.4105
56	A	A	-2.7441
57	L	A	0.0000
58	K	A	-2.8595
59	A	A	-1.7211
60	G	A	-1.9685
61	D	A	-2.2613
62	H	A	-2.0391
63	E	A	-2.6828
64	T	A	-2.2645
65	A	A	0.0000
66	S	A	-1.7823
67	E	A	-2.7548
68	L	A	-2.1073
69	V	A	0.0000
70	G	A	-1.9284
71	K	A	-2.3073
72	A	A	0.0000
73	L	A	0.0000
74	E	A	-2.4291
75	L	A	-1.5712
76	Q	A	0.0000
77	L	A	-1.7459
78	E	A	-2.6968
79	V	A	0.0000
80	L	A	0.0000
81	R	A	-2.4957
82	L	A	-1.2448
83	L	A	-0.9880
84	K	A	-2.1226
85	A	A	-1.3615
86	P	A	-1.1880
87	P	A	-1.3283
88	S	A	-0.7991
89	V	A	0.0000
90	L	A	-1.9176
91	D	A	-2.4197
92	A	A	-1.8429
93	Q	A	0.0000
94	Q	A	-2.3212
95	E	A	-2.9575
96	I	A	0.0000
97	I	A	0.0000
98	D	A	-2.6484
99	A	A	0.0000
100	F	A	-2.1861
101	K	A	-3.0177
102	N	A	-2.5427
103	G	A	-2.1762
104	G	A	-1.1211
105	I	A	-0.0561
106	V	A	-0.2018
107	E	A	-1.8498
108	R	A	-1.8088
109	L	A	0.0000
110	Q	A	-1.6990
111	L	A	-1.4386
112	F	A	-0.9616
113	I	A	-1.3308
114	R	A	-2.3974
115	Y	A	0.0000
116	V	A	0.0000
117	T	A	-1.5978
118	D	A	-2.3223
119	L	A	-1.1358
120	D	A	0.0000
121	P	A	-0.6345
122	T	A	-0.2503
123	W	A	0.0000
124	T	A	-0.9147
125	P	A	-1.3424
126	E	A	-2.0607
127	E	A	0.0000
128	R	A	-1.3076
129	A	A	-0.8094
130	A	A	-0.6038
131	L	A	0.0000
132	T	A	-0.6099
133	A	A	-0.0079
134	A	A	0.0000
135	L	A	0.0000
136	Q	A	-0.8471
137	A	A	-0.8457
138	R	A	0.0000
139	I	A	-0.6085
140	D	A	-1.4163
141	A	A	-0.7590
142	L	A	0.0425