Project name: 8479035b3d5b77c

Chain sequence(s)	A: NKITVELIKKIFSIKNEEEYKKLIEDNGDIYIELENKEKYLKLKKEKKCKSLLLINSKEELEEEKNNEIYQLIKSEGGEPIYKEESDEYIEKEIKKIYE
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                                          (00:03:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:50)

• Minimal score value: -4.816
• Maximal score value: 1.5766
• Average score: -2.2626
• Total score value: -224.0015

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	N	A	-1.6857
2	K	A	-1.6212
3	I	A	0.2290
4	T	A	-0.3970
5	V	A	-0.9746
6	E	A	-1.9797
7	L	A	-1.0702
8	I	A	0.0000
9	K	A	-2.0515
10	K	A	-2.6494
11	I	A	0.0000
12	F	A	-0.7664
13	S	A	-1.1884
14	I	A	-2.4452
15	K	A	-2.8640
16	N	A	-3.1006
17	E	A	-3.9984
18	E	A	-4.2465
19	E	A	-3.6530
20	Y	A	-3.5211
21	K	A	-4.1549
22	K	A	-4.5180
23	L	A	-3.0615
24	I	A	-2.3835
25	E	A	-3.9436
26	D	A	-3.9355
27	N	A	-2.7588
28	G	A	-2.1321
29	D	A	-0.7648
30	I	A	1.5766
31	Y	A	1.3353
32	I	A	1.1101
33	E	A	-1.2503
34	L	A	-1.5938
35	E	A	-3.1062
36	N	A	-2.9813
37	K	A	-3.2082
38	E	A	-3.2978
39	K	A	-3.0418
40	Y	A	0.0000
41	L	A	-2.5091
42	K	A	-3.8566
43	L	A	-3.3301
44	K	A	-3.6417
45	K	A	-4.1208
46	E	A	-4.2156
47	K	A	-4.1067
48	K	A	-3.3043
49	C	A	-2.0056
50	K	A	-2.0746
51	S	A	-0.7920
52	L	A	-0.4700
53	L	A	-0.2253
54	L	A	0.1253
55	I	A	0.0000
56	N	A	-2.7748
57	S	A	-3.2181
58	K	A	-4.0169
59	E	A	-4.3210
60	E	A	-4.0545
61	L	A	0.0000
62	E	A	-4.8160
63	E	A	-4.7535
64	E	A	-4.6367
65	K	A	-4.1729
66	N	A	-3.5897
67	N	A	-3.3178
68	E	A	-3.4163
69	I	A	0.0000
70	Y	A	0.0000
71	Q	A	-2.6341
72	L	A	-1.5020
73	I	A	0.0000
74	K	A	-2.2234
75	S	A	-1.8271
76	E	A	-2.6110
77	G	A	-2.1232
78	G	A	-2.1467
79	E	A	-2.2256
80	P	A	0.0000
81	I	A	0.0000
82	Y	A	-2.1378
83	K	A	-3.1058
84	E	A	-3.6361
85	E	A	-3.1412
86	S	A	-2.5523
87	D	A	-3.7894
88	E	A	-3.1673
89	Y	A	-1.9898
90	I	A	0.0000
91	E	A	-3.1173
92	K	A	-3.3308
93	E	A	-2.5302
94	I	A	0.0000
95	K	A	-2.8244
96	K	A	-3.3744
97	I	A	-1.8966
98	Y	A	-1.8956
99	E	A	-2.5101