Project name: design8

Chain sequence(s)	A: KAHHTNPAIVEAKIKALEALITYCLRKAEELRKEGKTEAAELLLRSAKLYAEAIKLIKAGEHEKAAELIYEANKLQLEVYKLENASEKVIEKMKEILETRKNGSIKERCKLYIELVKDLDPTFTPEEKQKISDALQQIIDAL
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                                          (00:05:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:18)

• Minimal score value: -5.205
• Maximal score value: 0.3624
• Average score: -1.5978
• Total score value: -226.8878

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	-1.8921
2	A	A	-0.8993
3	H	A	-0.7006
4	H	A	-1.8101
5	T	A	-1.2000
6	N	A	-0.8302
7	P	A	-1.0632
8	A	A	-0.7768
9	I	A	0.0000
10	V	A	-1.3116
11	E	A	-1.9872
12	A	A	0.0000
13	K	A	-1.1496
14	I	A	-1.4957
15	K	A	-1.9375
16	A	A	0.0000
17	L	A	0.0000
18	E	A	-1.5983
19	A	A	0.0000
20	L	A	0.0000
21	I	A	-0.4013
22	T	A	-0.0756
23	Y	A	0.0000
24	C	A	0.0000
25	L	A	-0.1602
26	R	A	-0.7672
27	K	A	0.0000
28	A	A	0.0000
29	E	A	-3.8124
30	E	A	-3.6740
31	L	A	0.0000
32	R	A	-5.2050
33	K	A	-4.5843
34	E	A	-4.1984
35	G	A	-3.4961
36	K	A	-3.5856
37	T	A	-3.4272
38	E	A	-3.0933
39	A	A	0.0000
40	A	A	0.0000
41	E	A	-3.1331
42	L	A	-2.0706
43	L	A	0.0000
44	L	A	-1.4909
45	R	A	-2.6432
46	S	A	0.0000
47	A	A	0.0000
48	K	A	-2.2236
49	L	A	-1.7630
50	Y	A	0.0000
51	A	A	-1.7215
52	E	A	-2.4216
53	A	A	0.0000
54	I	A	-2.1659
55	K	A	-2.8502
56	L	A	0.0000
57	I	A	0.0000
58	K	A	-3.0214
59	A	A	-1.9041
60	G	A	-2.3879
61	E	A	-3.4206
62	H	A	0.0000
63	E	A	-3.3920
64	K	A	-3.3344
65	A	A	0.0000
66	A	A	-2.2210
67	E	A	-2.8266
68	L	A	-2.1194
69	I	A	-1.4146
70	Y	A	-1.7116
71	E	A	-2.5787
72	A	A	0.0000
73	N	A	0.0000
74	K	A	-2.2247
75	L	A	-1.7568
76	Q	A	0.0000
77	L	A	-1.8949
78	E	A	-2.6374
79	V	A	0.0000
80	Y	A	0.0000
81	K	A	-2.6773
82	L	A	-1.6398
83	E	A	-1.7720
84	N	A	-2.2559
85	A	A	-1.9351
86	S	A	-2.3114
87	E	A	-3.5306
88	K	A	-3.4880
89	V	A	0.0000
90	I	A	-2.9585
91	E	A	-3.6102
92	K	A	-2.9480
93	M	A	0.0000
94	K	A	-3.2060
95	E	A	-2.9930
96	I	A	0.0000
97	L	A	0.0000
98	E	A	-3.7837
99	T	A	0.0000
100	R	A	-3.2532
101	K	A	-3.3623
102	N	A	-3.2138
103	G	A	-2.6130
104	S	A	-1.7768
105	I	A	-1.1877
106	K	A	-2.2641
107	E	A	-3.1668
108	R	A	-2.9012
109	C	A	0.0000
110	K	A	-2.8343
111	L	A	-2.0938
112	Y	A	-1.5546
113	I	A	-2.2096
114	E	A	-2.6896
115	L	A	0.0000
116	V	A	0.0000
117	K	A	-3.0859
118	D	A	-3.0843
119	L	A	-2.0684
120	D	A	0.0000
121	P	A	-0.8754
122	T	A	-0.3608
123	F	A	0.0000
124	T	A	-1.2692
125	P	A	-2.0175
126	E	A	-2.8108
127	E	A	-2.3584
128	K	A	-2.8969
129	Q	A	-3.2917
130	K	A	-3.1739
131	I	A	0.0000
132	S	A	0.0000
133	D	A	-2.8084
134	A	A	0.0000
135	L	A	0.0000
136	Q	A	-2.1711
137	Q	A	-1.8098
138	I	A	0.0000
139	I	A	0.0000
140	D	A	-1.8242
141	A	A	-0.6507
142	L	A	0.3624