Project name: RFC29

Chain sequence(s)	A: AEPPIIDEKKEEKTPTTRKVLHKVKVPEKIKKTTIEIKVEFKVEGETLLAGPDVEVRPRIYVQNGNTDIENLGAAQAQTVDAATGAVDTTATFELKITLEDVDKAEVEVEAVVRLPEPAP
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                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -4.7764
• Maximal score value: 1.3617
• Average score: -1.5357
• Total score value: -184.2848

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	A	A	-0.9002
2	E	A	-2.4070
3	P	A	-1.3352
4	P	A	-0.4811
5	I	A	-0.0056
6	I	A	-0.7430
7	D	A	-2.5589
8	E	A	-3.2409
9	K	A	-3.9886
10	K	A	-4.1584
11	E	A	-4.3236
12	E	A	-3.6928
13	K	A	-3.1053
14	T	A	-1.6352
15	P	A	-1.2266
16	T	A	-1.4842
17	T	A	0.0000
18	R	A	-2.3157
19	K	A	-2.7292
20	V	A	0.0000
21	L	A	-2.6361
22	H	A	-2.8059
23	K	A	-2.8264
24	V	A	0.0000
25	K	A	-1.7810
26	V	A	0.0000
27	P	A	-2.0104
28	E	A	-3.9429
29	K	A	-4.5624
30	I	A	-3.7618
31	K	A	-4.3657
32	K	A	-3.6112
33	T	A	-1.6314
34	T	A	-1.1697
35	I	A	0.0000
36	E	A	-3.0168
37	I	A	0.0000
38	K	A	-3.1984
39	V	A	0.0000
40	E	A	-2.7333
41	F	A	-1.8372
42	K	A	-2.7413
43	V	A	0.0000
44	E	A	-3.3079
45	G	A	-2.4155
46	E	A	-1.8887
47	T	A	-0.7199
48	L	A	0.0072
49	L	A	1.3617
50	A	A	0.1942
51	G	A	-0.7457
52	P	A	0.0000
53	D	A	-2.6106
54	V	A	-1.6156
55	E	A	-2.0297
56	V	A	0.0000
57	R	A	-2.6761
58	P	A	-1.9748
59	R	A	-2.3135
60	I	A	-0.2117
61	Y	A	0.3773
62	V	A	-0.1700
63	Q	A	-2.2403
64	N	A	-2.7392
65	G	A	-3.3728
66	N	A	-3.2640
67	T	A	-2.2054
68	D	A	-1.9851
69	I	A	-0.5246
70	E	A	-2.5203
71	N	A	-2.3878
72	L	A	-0.8365
73	G	A	-1.0324
74	A	A	-0.7488
75	A	A	-0.5710
76	Q	A	-1.1379
77	A	A	-0.9630
78	Q	A	-1.1336
79	T	A	-0.4884
80	V	A	0.6357
81	D	A	-0.7174
82	A	A	-0.0848
83	A	A	-0.1380
84	T	A	-0.4265
85	G	A	-0.2040
86	A	A	-0.9132
87	V	A	0.0000
88	D	A	-2.5073
89	T	A	0.0000
90	T	A	-1.7728
91	A	A	0.0000
92	T	A	-1.6080
93	F	A	0.0000
94	E	A	-2.9299
95	L	A	0.0000
96	K	A	-2.5774
97	I	A	0.0000
98	T	A	-1.6942
99	L	A	0.0000
100	E	A	-4.0587
101	D	A	-4.7764
102	V	A	0.0000
103	D	A	-3.5567
104	K	A	-3.0760
105	A	A	0.0000
106	E	A	-1.3173
107	V	A	0.0000
108	E	A	-2.4078
109	V	A	0.0000
110	E	A	-2.2678
111	A	A	0.0000
112	V	A	0.0000
113	V	A	0.0000
114	R	A	-2.8847
115	L	A	-1.7430
116	P	A	-1.4274
117	E	A	-1.9999
118	P	A	-1.0593
119	A	A	-0.3847
120	P	A	-0.5335