Project name: spytag

Chain sequence(s)	C: DSATHIKFSKRDEDGKELAGATMELRDSSGKKTIISTTWISDGQVKDFYLYPGKKYTFVETAAPDDGYEVVATAITFTVNEQGQVTTVNG
Selected Chain(s)	C
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 C 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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.902
• Maximal score value: 1.4957
• Average score: -0.8216
• Total score value: -68.1939

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
22	D	C	-1.6958
23	S	C	-1.1092
24	A	C	-0.0509
25	T	C	-0.2570
26	H	C	-0.5424
27	I	C	-0.7644
28	K	C	-2.0098
29	F	C	-1.4697
30	S	C	-1.6244
31	K	C	-1.7255
32	R	C	-3.6445
33	D	C	-3.3159
34	E	C	-3.6917
35	D	C	-3.9020
36	G	C	-3.4835
37	K	C	-3.8175
38	E	C	-3.0327
39	L	C	-2.2651
40	A	C	-1.2461
41	G	C	-0.2156
42	A	C	0.0000
43	T	C	0.7821
44	M	C	0.0000
45	E	C	-0.1457
46	L	C	0.0000
47	R	C	-1.4499
48	D	C	-1.4851
49	S	C	-1.3375
50	S	C	-1.2798
51	G	C	-1.4236
52	K	C	-1.9763
53	T	C	-0.8375
54	I	C	0.3209
55	S	C	0.0240
56	T	C	0.4334
57	W	C	0.6302
58	I	C	1.3581
59	S	C	0.0000
60	D	C	-1.7764
61	G	C	-1.9861
62	Q	C	-2.2824
63	V	C	-1.5458
64	K	C	-1.8392
65	D	C	-1.9470
66	F	C	0.0000
67	Y	C	0.8723
68	L	C	0.0000
69	Y	C	0.5982
70	P	C	-0.7375
71	G	C	-0.6441
72	K	C	-0.9508
73	Y	C	0.0000
74	T	C	-0.4648
75	F	C	0.0000
76	V	C	0.4414
77	E	C	0.0000
78	T	C	0.5308
79	A	C	0.2770
80	A	C	0.0057
81	P	C	-0.6478
82	D	C	-2.0588
83	G	C	-1.2886
84	Y	C	-0.6113
85	E	C	-0.8890
86	V	C	1.1132
87	A	C	0.6549
88	T	C	0.4318
89	A	C	0.6734
90	I	C	0.9817
91	T	C	0.1180
92	F	C	0.0000
93	T	C	-0.2308
94	V	C	0.0000
95	N	C	-1.9472
96	E	C	-2.6864
97	Q	C	-2.6045
98	G	C	-1.7797
99	Q	C	-1.6340
100	V	C	0.2675
101	T	C	0.5398
102	V	C	1.4957
103	N	C	-0.1347
104	G	C	-0.2580