Project name: RFC20

Chain sequence(s)	A: NTFTSTTTFEASTGTGEEIYAVIYKVTITSPEKTELVNISVVSSDLELAEKRAEEELAKVLAEALEAGADVKVEKTLASTGKDGKTKTEKVELSDEEIKKLAEEYRERKAKELA
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                                          (00:02:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:43)

• Minimal score value: -4.4773
• Maximal score value: 1.1341
• Average score: -1.7561
• Total score value: -200.1922

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	-1.2615
2	T	A	0.0526
3	F	A	1.1341
4	T	A	0.5971
5	S	A	0.1861
6	T	A	-0.1558
7	T	A	-0.3070
8	T	A	-0.4397
9	F	A	-0.6238
10	E	A	-2.1417
11	A	A	-1.3962
12	S	A	-1.9259
13	T	A	-1.5029
14	G	A	-1.1131
15	T	A	-1.3299
16	G	A	-2.5851
17	E	A	-2.9135
18	E	A	-2.7505
19	I	A	-1.1497
20	Y	A	-0.4950
21	A	A	0.0000
22	V	A	0.0000
23	I	A	0.0000
24	Y	A	0.0000
25	K	A	-1.5382
26	V	A	0.0000
27	T	A	-1.1094
28	I	A	0.0000
29	T	A	-2.0766
30	S	A	-2.0105
31	P	A	-1.8648
32	E	A	-2.7715
33	K	A	-3.0774
34	T	A	-1.9526
35	E	A	-1.2581
36	L	A	-0.0901
37	V	A	-0.2266
38	N	A	-1.1169
39	I	A	0.0000
40	S	A	-0.4684
41	V	A	0.0000
42	V	A	1.0678
43	S	A	-0.2460
44	S	A	-1.1647
45	D	A	-1.7450
46	L	A	-1.2432
47	E	A	-2.5631
48	L	A	-1.5050
49	A	A	0.0000
50	E	A	-2.6850
51	K	A	-3.6015
52	R	A	-3.3591
53	A	A	0.0000
54	E	A	-3.0058
55	E	A	-3.5786
56	E	A	-2.9400
57	L	A	0.0000
58	A	A	0.0000
59	K	A	-2.3601
60	V	A	-1.2785
61	L	A	0.0000
62	A	A	0.0000
63	E	A	-2.6277
64	A	A	0.0000
65	L	A	-1.9807
66	E	A	-2.4278
67	A	A	-1.6993
68	G	A	-1.5939
69	A	A	-2.2976
70	D	A	-2.3570
71	V	A	-2.0250
72	K	A	-2.7603
73	V	A	0.0000
74	E	A	-2.4761
75	K	A	-1.8004
76	T	A	-1.7114
77	L	A	-1.1065
78	A	A	0.0000
79	S	A	0.0000
80	T	A	0.0000
81	G	A	-3.1068
82	K	A	-3.8637
83	D	A	-3.7341
84	G	A	-3.5249
85	K	A	-3.5085
86	T	A	-2.6851
87	K	A	-2.7231
88	T	A	-2.2005
89	E	A	-2.8646
90	K	A	-2.8640
91	V	A	-1.7247
92	E	A	-2.7903
93	L	A	-2.4108
94	S	A	-2.8636
95	D	A	-4.1526
96	E	A	-4.0418
97	E	A	-3.8005
98	I	A	0.0000
99	K	A	-4.0756
100	K	A	-4.3969
101	L	A	-3.2851
102	A	A	0.0000
103	E	A	-4.3732
104	E	A	-4.2889
105	Y	A	-3.7508
106	R	A	-4.0265
107	E	A	-4.4773
108	R	A	-4.3891
109	K	A	-3.5321
110	A	A	-2.5807
111	K	A	-3.3849
112	E	A	-2.8777
113	L	A	-0.4700
114	A	A	-0.6698