Project name: K27

Chain sequence(s)	A: DLGKKLLEAARAGQDDEVRILMANGADVNAHDTFGFTPLHLAALYGHLEIVEVLLKNGADVNADDSYGRTPLHLAAMRGHLEIVEVLLKYGADVNAADEEGRTPLHLAAKRGHLEIVEVLLKNGADVNAQDKFGKTAFDISIDNGNEDLAEILQK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:34)

• Minimal score value: -4.1137
• Maximal score value: 1.5316
• Average score: -1.1513
• Total score value: -178.4482

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	D	A	-2.2864
2	L	A	-1.9686
3	G	A	-2.4887
4	K	A	-3.2499
5	K	A	-2.7878
6	L	A	0.0000
7	L	A	0.0000
8	E	A	-2.7191
9	A	A	0.0000
10	A	A	0.0000
11	R	A	-1.8196
12	A	A	-1.5449
13	G	A	-2.1921
14	Q	A	-3.7229
15	D	A	-4.1137
16	D	A	-3.7582
17	E	A	-3.1987
18	V	A	0.0000
19	R	A	-2.8954
20	I	A	-0.8936
21	L	A	0.0000
22	M	A	-1.1808
23	A	A	-0.7398
24	N	A	-1.4362
25	G	A	-1.1817
26	A	A	0.0000
27	D	A	-2.4996
28	V	A	-1.5649
29	N	A	-1.7258
30	A	A	-1.6787
31	H	A	-1.4142
32	D	A	-0.6113
33	T	A	0.4184
34	F	A	1.5316
35	G	A	0.0489
36	F	A	-0.0536
37	T	A	0.0000
38	P	A	0.0000
39	L	A	0.0000
40	H	A	0.0000
41	L	A	0.0000
42	A	A	0.0000
43	A	A	0.0000
44	L	A	0.0367
45	Y	A	0.2423
46	G	A	-0.5773
47	H	A	-1.3134
48	L	A	-1.1921
49	E	A	-2.3569
50	I	A	0.0000
51	V	A	0.0000
52	E	A	-1.6006
53	V	A	-1.9071
54	L	A	0.0000
55	L	A	0.0000
56	K	A	-2.4349
57	N	A	-2.8452
58	G	A	-2.1159
59	A	A	0.0000
60	D	A	-2.0678
61	V	A	-1.4361
62	N	A	-1.8031
63	A	A	-1.7914
64	D	A	-1.8282
65	D	A	0.0000
66	S	A	0.1911
67	Y	A	0.1771
68	G	A	-1.2427
69	R	A	-1.1588
70	T	A	0.0000
71	P	A	0.0000
72	L	A	0.0000
73	H	A	0.0000
74	L	A	0.0000
75	A	A	0.0000
76	A	A	0.0000
77	M	A	-0.9598
78	R	A	-1.2894
79	G	A	-1.4257
80	H	A	-0.9405
81	L	A	-1.3833
82	E	A	-2.1077
83	I	A	0.0000
84	V	A	0.0000
85	E	A	-2.4161
86	V	A	-1.4921
87	L	A	0.0000
88	L	A	-1.5154
89	K	A	-1.9105
90	Y	A	-1.1535
91	G	A	-1.1838
92	A	A	0.0000
93	D	A	-1.9222
94	V	A	0.0000
95	N	A	-1.6838
96	A	A	-1.2038
97	A	A	-1.2546
98	D	A	0.0000
99	E	A	-2.1874
100	E	A	-1.8691
101	G	A	-1.8616
102	R	A	-1.4606
103	T	A	0.0000
104	P	A	0.0000
105	L	A	0.0000
106	H	A	0.0000
107	L	A	0.0000
108	A	A	0.0000
109	A	A	0.0000
110	K	A	-2.1991
111	R	A	-2.6467
112	G	A	-2.0004
113	H	A	-1.6660
114	L	A	-1.6119
115	E	A	-2.1098
116	I	A	0.0000
117	V	A	0.0000
118	E	A	-2.4035
119	V	A	0.0000
120	L	A	0.0000
121	L	A	-1.9893
122	K	A	-2.5790
123	N	A	-2.9663
124	G	A	-1.9966
125	A	A	0.0000
126	D	A	-2.1572
127	V	A	-1.1267
128	N	A	-1.9248
129	A	A	-1.7855
130	Q	A	-2.1740
131	D	A	0.0000
132	K	A	-1.8171
133	F	A	0.3839
134	G	A	-0.8536
135	K	A	-1.5485
136	T	A	-1.3202
137	A	A	0.0000
138	F	A	-0.6481
139	D	A	-1.0276
140	I	A	0.0000
141	S	A	0.0000
142	I	A	0.0662
143	D	A	-1.9048
144	N	A	-2.4719
145	G	A	-1.8367
146	N	A	-2.4065
147	E	A	-3.1240
148	D	A	-3.3652
149	L	A	0.0000
150	A	A	-2.2423
151	E	A	-3.5416
152	I	A	-2.5334
153	L	A	0.0000
154	Q	A	-2.3666
155	K	A	-2.5809