Project name: RFC28

Chain sequence(s)	A: TATATLTITDASGTVKTATATAGNGEKAVVTGTGTGSNNKATTTASATSPANALSASFEVRPTIKFTPGADVDIDATPLTVASALGASGNPVSAGTATQNITSSGTLNVTNELVQHLTLS
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.251
• Maximal score value: 1.241
• Average score: -0.4646
• Total score value: -55.7501

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	T	A	-0.9232
2	A	A	0.0000
3	T	A	-0.2664
4	A	A	0.0000
5	T	A	0.0076
6	L	A	0.0000
7	T	A	-0.3955
8	I	A	0.0000
9	T	A	-0.5501
10	D	A	-0.9180
11	A	A	-0.8803
12	S	A	-0.5053
13	G	A	-0.6577
14	T	A	0.1433
15	V	A	0.7824
16	K	A	-0.4589
17	T	A	-0.2389
18	A	A	-0.2507
19	T	A	0.0340
20	A	A	-0.0709
21	T	A	-0.5259
22	A	A	0.0000
23	G	A	-1.7479
24	N	A	-2.1852
25	G	A	-2.4602
26	E	A	-3.2510
27	K	A	-3.0275
28	A	A	0.0000
29	V	A	-0.1391
30	V	A	0.0000
31	T	A	0.0162
32	G	A	-0.3616
33	T	A	-0.5632
34	G	A	0.0000
35	T	A	-0.5865
36	G	A	-0.7677
37	S	A	-1.3745
38	N	A	-2.0705
39	N	A	0.0000
40	K	A	-1.7879
41	A	A	0.0000
42	T	A	-0.8426
43	T	A	0.0000
44	T	A	-0.1826
45	A	A	0.0000
46	S	A	-0.0151
47	A	A	0.0000
48	T	A	0.1262
49	S	A	0.0000
50	P	A	-0.0257
51	A	A	-0.0936
52	N	A	-0.5624
53	A	A	0.0000
54	L	A	1.2410
55	S	A	0.3418
56	A	A	0.0090
57	S	A	-0.6223
58	F	A	0.0000
59	E	A	-1.7077
60	V	A	-1.2954
61	R	A	-2.1154
62	P	A	-1.0936
63	T	A	-0.7886
64	I	A	-0.6055
65	K	A	-1.4264
66	F	A	-0.6725
67	T	A	-0.7558
68	P	A	-0.8406
69	G	A	-0.8891
70	A	A	-1.2918
71	D	A	-2.1410
72	V	A	-1.1138
73	D	A	-1.9928
74	I	A	-0.9352
75	D	A	-1.9888
76	A	A	-1.1443
77	T	A	-0.6087
78	P	A	-0.0888
79	L	A	0.5351
80	T	A	0.5675
81	V	A	0.9268
82	A	A	0.5579
83	S	A	0.5144
84	A	A	0.7269
85	L	A	1.0919
86	G	A	0.1066
87	A	A	-0.1126
88	S	A	-0.4425
89	G	A	-0.5322
90	N	A	-0.4663
91	P	A	0.3506
92	V	A	0.6155
93	S	A	0.0000
94	A	A	0.3407
95	G	A	0.0000
96	T	A	0.2861
97	A	A	0.0000
98	T	A	-0.5548
99	Q	A	-0.9168
100	N	A	-1.9177
101	I	A	0.0000
102	T	A	-1.7912
103	S	A	0.0000
104	S	A	-1.5464
105	G	A	-0.8077
106	T	A	-0.6577
107	L	A	0.0000
108	N	A	-0.7479
109	V	A	0.0000
110	T	A	-0.4517
111	N	A	0.0000
112	E	A	-1.0721
113	L	A	0.0000
114	V	A	0.0000
115	Q	A	0.0000
116	H	A	-1.6778
117	L	A	-0.2788
118	T	A	0.3792
119	L	A	0.9386
120	S	A	0.3895