Project name: RFC26

Chain sequence(s)	A: MKQTTTTSSSTTQLPLEGNVKETVTTTTVNTTIESDKETATVNTTQTVTRAPSASVSLRVEPSISAQGTAEIEEVDLSSQVSQAAPNTLVGQVNIKVKTKKKGTVNVTVTFITTTTTYLP
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)

• Minimal score value: -4.9044
• Maximal score value: 1.3484
• Average score: -0.9469
• Total score value: -113.6285

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	M	A	-1.5971
2	K	A	-2.3352
3	Q	A	-1.7901
4	T	A	-1.1949
5	T	A	-0.5157
6	T	A	-0.4351
7	T	A	-0.3984
8	S	A	-0.4955
9	S	A	-0.4248
10	S	A	-0.3371
11	T	A	-0.3567
12	T	A	-0.5652
13	Q	A	-1.0577
14	L	A	-0.2603
15	P	A	-0.7951
16	L	A	-0.6859
17	E	A	-2.0201
18	G	A	-1.4653
19	N	A	-0.9949
20	V	A	-0.1757
21	K	A	-0.6002
22	E	A	-0.3557
23	T	A	-0.4650
24	V	A	-0.0616
25	T	A	-0.1305
26	T	A	-0.1919
27	T	A	-0.1947
28	T	A	-0.4632
29	V	A	0.0000
30	N	A	-0.6901
31	T	A	0.0000
32	T	A	-1.1848
33	I	A	0.0000
34	E	A	-3.3731
35	S	A	0.0000
36	D	A	-4.7105
37	K	A	-4.9044
38	E	A	-3.5391
39	T	A	-1.9614
40	A	A	0.0000
41	T	A	-1.0813
42	V	A	0.0000
43	N	A	-1.8012
44	T	A	-1.1162
45	T	A	-0.8160
46	Q	A	-0.1390
47	T	A	-0.1069
48	V	A	-0.1194
49	T	A	-0.4523
50	R	A	-0.8058
51	A	A	-0.5040
52	P	A	-0.6130
53	S	A	0.0454
54	A	A	0.0000
55	S	A	-0.2581
56	V	A	-0.1238
57	S	A	-0.2809
58	L	A	-0.4369
59	R	A	-1.8879
60	V	A	-1.5539
61	E	A	-2.1180
62	P	A	-1.1218
63	S	A	-0.3699
64	I	A	0.3338
65	S	A	-0.2766
66	A	A	-0.7627
67	Q	A	-1.5969
68	G	A	-1.4452
69	T	A	-1.4518
70	A	A	-2.7417
71	E	A	-2.8546
72	I	A	-2.1569
73	E	A	-3.2152
74	E	A	-2.6217
75	V	A	-0.9380
76	D	A	-1.4995
77	L	A	-0.4286
78	S	A	-1.1303
79	S	A	-1.1031
80	Q	A	-1.4624
81	V	A	-0.2877
82	S	A	-0.4878
83	Q	A	-1.0083
84	A	A	-0.4365
85	A	A	-0.6338
86	P	A	-0.8056
87	N	A	-1.0332
88	T	A	-0.6344
89	L	A	-0.2639
90	V	A	-0.3252
91	G	A	0.0000
92	Q	A	-1.3005
93	V	A	0.0000
94	N	A	-1.8203
95	I	A	0.0000
96	K	A	-1.5096
97	V	A	0.0000
98	K	A	-3.1465
99	T	A	0.0000
100	K	A	-4.1478
101	K	A	-4.3911
102	K	A	-4.4196
103	G	A	-2.9989
104	T	A	-2.3685
105	V	A	0.0000
106	N	A	-0.8892
107	V	A	0.0000
108	T	A	-0.5353
109	V	A	0.0000
110	T	A	-0.9553
111	F	A	0.0000
112	I	A	-0.5135
113	T	A	0.0000
114	T	A	-0.2992
115	T	A	-0.1793
116	T	A	0.0997
117	T	A	0.4614
118	Y	A	1.3484
119	L	A	1.1793
120	P	A	0.4130