Project name: design7

Chain sequence(s)	A: KEHHTNPAIVEAKIEALKALITYCNRRAAELEKEGKTEAAKLLREMAKLYEEAIKLIKEGKHEEAAKLIYEANKLQLEVYKLLNASKEVIEKMQEILETRKNGSVVERCKLYIELVKDLDPTFTPEEKKAMSEALQKIIDAL
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                                          (00:06:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:55)

• Minimal score value: -3.6511
• Maximal score value: 0.0
• Average score: -1.6669
• Total score value: -236.7063

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	-2.8106
2	E	A	-2.7331
3	H	A	-1.6359
4	H	A	-2.0788
5	T	A	-1.5713
6	N	A	-1.4229
7	P	A	-1.1981
8	A	A	-1.1092
9	I	A	0.0000
10	V	A	-1.7699
11	E	A	-2.6897
12	A	A	0.0000
13	K	A	-1.6148
14	I	A	-2.3706
15	E	A	-2.7522
16	A	A	-1.7208
17	L	A	0.0000
18	K	A	-2.0626
19	A	A	-1.3649
20	L	A	-0.7831
21	I	A	-1.6431
22	T	A	-0.7492
23	Y	A	0.0000
24	C	A	0.0000
25	N	A	-2.0166
26	R	A	-1.4707
27	R	A	-1.5497
28	A	A	0.0000
29	A	A	-2.2745
30	E	A	-2.5813
31	L	A	0.0000
32	E	A	-3.3379
33	K	A	-3.5053
34	E	A	-3.5403
35	G	A	-2.9085
36	K	A	-2.8828
37	T	A	-2.7255
38	E	A	-2.7886
39	A	A	0.0000
40	A	A	0.0000
41	K	A	-3.2528
42	L	A	0.0000
43	L	A	0.0000
44	R	A	-3.1706
45	E	A	-3.2608
46	M	A	0.0000
47	A	A	0.0000
48	K	A	-3.0994
49	L	A	-2.2022
50	Y	A	0.0000
51	E	A	-3.2793
52	E	A	-2.7168
53	A	A	0.0000
54	I	A	0.0000
55	K	A	-3.4255
56	L	A	-3.1052
57	I	A	0.0000
58	K	A	-3.6511
59	E	A	-3.4407
60	G	A	-2.8495
61	K	A	-3.1419
62	H	A	0.0000
63	E	A	-3.0959
64	E	A	-2.9423
65	A	A	0.0000
66	A	A	-1.9460
67	K	A	-2.6474
68	L	A	-1.8274
69	I	A	-1.1958
70	Y	A	-1.4320
71	E	A	-1.8283
72	A	A	0.0000
73	N	A	0.0000
74	K	A	-1.5267
75	L	A	-1.5099
76	Q	A	0.0000
77	L	A	-1.3295
78	E	A	-2.3412
79	V	A	0.0000
80	Y	A	0.0000
81	K	A	-2.3527
82	L	A	-1.1485
83	L	A	-1.0984
84	N	A	-1.8918
85	A	A	-1.5498
86	S	A	-2.2537
87	K	A	-3.4153
88	E	A	-3.3983
89	V	A	0.0000
90	I	A	-2.6967
91	E	A	-3.1950
92	K	A	-2.6100
93	M	A	0.0000
94	Q	A	-2.4881
95	E	A	-2.9730
96	I	A	0.0000
97	L	A	-2.6562
98	E	A	-3.5875
99	T	A	-3.1355
100	R	A	-3.1214
101	K	A	-3.4099
102	N	A	-3.0868
103	G	A	-2.2099
104	S	A	-1.2518
105	V	A	-0.4257
106	V	A	-0.9281
107	E	A	-2.2405
108	R	A	-2.1545
109	C	A	0.0000
110	K	A	-2.1331
111	L	A	-1.6371
112	Y	A	-1.0949
113	I	A	-1.8412
114	E	A	-2.2310
115	L	A	0.0000
116	V	A	0.0000
117	K	A	-2.3879
118	D	A	-2.6375
119	L	A	-1.7082
120	D	A	0.0000
121	P	A	-0.7178
122	T	A	-0.3166
123	F	A	0.0000
124	T	A	-1.2764
125	P	A	-1.9123
126	E	A	-2.7158
127	E	A	-1.9199
128	K	A	-2.7350
129	K	A	-3.1908
130	A	A	-2.5004
131	M	A	0.0000
132	S	A	-2.5030
133	E	A	-2.9534
134	A	A	0.0000
135	L	A	0.0000
136	Q	A	-2.1758
137	K	A	-2.5540
138	I	A	0.0000
139	I	A	-1.4761
140	D	A	-1.8530
141	A	A	-1.0175
142	L	A	-0.0578