Project name: RFC24

Chain sequence(s)	A: MKELEALAKELAKETDALAKASGKPVYEKPEVKVTISPNSTATVQQQVIEDKADYTPESVTITKKKLMQKVTIPKQPPGTTITIEQLTITKKVLTFTPP
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                                          (00:03:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:08)

• Minimal score value: -3.934
• Maximal score value: 1.7904
• Average score: -1.1149
• Total score value: -110.3745

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	-0.3507
2	K	A	-2.2539
3	E	A	-2.3973
4	L	A	-1.0472
5	E	A	-2.5134
6	A	A	-2.1784
7	L	A	-1.5983
8	A	A	-2.1474
9	K	A	-3.4114
10	E	A	-3.5192
11	L	A	-2.6336
12	A	A	-2.9110
13	K	A	-3.9340
14	E	A	-3.8448
15	T	A	-3.0007
16	D	A	-3.4052
17	A	A	-2.2314
18	L	A	-1.9171
19	A	A	-1.8046
20	K	A	-2.5276
21	A	A	-1.2793
22	S	A	-1.3766
23	G	A	-1.1587
24	K	A	-1.3073
25	P	A	0.1496
26	V	A	-0.4784
27	Y	A	-1.3986
28	E	A	-2.7072
29	K	A	-3.2315
30	P	A	-2.1850
31	E	A	-2.1389
32	V	A	-0.9122
33	K	A	-1.3958
34	V	A	-0.4024
35	T	A	-0.3619
36	I	A	0.1828
37	S	A	-0.3241
38	P	A	-0.7246
39	N	A	-1.3504
40	S	A	-0.4763
41	T	A	-0.2488
42	A	A	0.0000
43	T	A	0.3145
44	V	A	-0.2730
45	Q	A	-1.9078
46	Q	A	-1.4771
47	Q	A	-0.6761
48	V	A	0.4714
49	I	A	0.6238
50	E	A	-1.1264
51	D	A	-2.2098
52	K	A	-2.6018
53	A	A	-1.6846
54	D	A	-1.5116
55	Y	A	-0.5635
56	T	A	-0.7953
57	P	A	-0.9246
58	E	A	-1.5883
59	S	A	-0.5874
60	V	A	0.2160
61	T	A	-0.4955
62	I	A	-0.6493
63	T	A	-1.7041
64	K	A	-2.4906
65	K	A	-1.9055
66	K	A	-0.9650
67	L	A	0.5992
68	M	A	-0.4620
69	Q	A	-1.6281
70	K	A	-1.8172
71	V	A	0.2783
72	T	A	0.6948
73	I	A	1.7904
74	P	A	0.0102
75	K	A	-1.5082
76	Q	A	-1.1181
77	P	A	-1.1714
78	P	A	-0.8986
79	G	A	-0.6645
80	T	A	-0.6213
81	T	A	-0.2715
82	I	A	0.3591
83	T	A	-0.1333
84	I	A	0.0191
85	E	A	-1.6165
86	Q	A	-0.8981
87	L	A	-0.4728
88	T	A	-0.3408
89	I	A	-0.7112
90	T	A	-1.4028
91	K	A	-2.1134
92	K	A	-1.8458
93	V	A	0.0000
94	L	A	1.1524
95	T	A	0.4005
96	F	A	1.3710
97	T	A	0.0831
98	P	A	0.1359
99	P	A	-0.3085