Project name: RFC6

Chain sequence(s)	A: SITTTTTTEINIKVTGNEPKPSIPKTTLTVTGSAAASNSTVTDHSKIKNDGENIYLDSTLTADGTTTKKKKILDLKKGELAKELDQAELDAA
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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -3.4676
• Maximal score value: 0.6493
• Average score: -1.2754
• Total score value: -117.335

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	S	A	0.1561
2	I	A	0.6493
3	T	A	0.2555
4	T	A	-0.0340
5	T	A	-0.3153
6	T	A	-0.6235
7	T	A	-0.5928
8	T	A	0.0000
9	E	A	-2.0424
10	I	A	-1.3268
11	N	A	-1.8511
12	I	A	-0.6014
13	K	A	-1.7029
14	V	A	-0.8094
15	T	A	-1.2392
16	G	A	-2.0836
17	N	A	-2.6693
18	E	A	-3.1219
19	P	A	-2.2617
20	K	A	-3.0909
21	P	A	-2.3165
22	S	A	-1.8350
23	I	A	0.0000
24	P	A	-1.6353
25	K	A	-2.6230
26	T	A	0.0000
27	T	A	-1.2785
28	L	A	0.0000
29	T	A	-0.4652
30	V	A	0.0000
31	T	A	-0.3147
32	G	A	-0.2743
33	S	A	-0.1456
34	A	A	0.0000
35	A	A	-0.3097
36	A	A	-0.1907
37	S	A	-0.7314
38	N	A	-1.5390
39	S	A	-0.8993
40	T	A	-0.4537
41	V	A	0.0157
42	T	A	-0.6892
43	D	A	-1.3810
44	H	A	-1.9710
45	S	A	-1.3755
46	K	A	-1.2232
47	I	A	0.0252
48	K	A	-2.0189
49	N	A	-2.9187
50	D	A	-3.4676
51	G	A	-2.9349
52	E	A	-3.3815
53	N	A	-2.6985
54	I	A	0.0000
55	Y	A	-1.2418
56	L	A	0.0000
57	D	A	-1.0414
58	S	A	0.0000
59	T	A	-1.4250
60	L	A	0.0000
61	T	A	-0.7945
62	A	A	0.0000
63	D	A	-1.2844
64	G	A	-0.9356
65	T	A	-0.5968
66	T	A	-0.6116
67	T	A	-0.9580
68	K	A	-1.9400
69	K	A	-2.1072
70	K	A	-1.9148
71	K	A	-1.2373
72	I	A	-1.3410
73	L	A	0.0000
74	D	A	0.0000
75	L	A	-2.3991
76	K	A	-3.4509
77	K	A	-3.3862
78	G	A	0.0000
79	E	A	-2.6019
80	L	A	-1.2241
81	A	A	-1.2637
82	K	A	-2.1827
83	E	A	-2.8850
84	L	A	-2.6739
85	D	A	-2.9163
86	Q	A	-2.1307
87	A	A	-1.7574
88	E	A	-2.4849
89	L	A	-2.0210
90	D	A	-2.3292
91	A	A	-1.1651
92	A	A	-0.6972