Project name: HA4

Chain sequence(s)	C: GSSVSSVPTKLEVVAATPTSLLISWDAPMSSSSVYYYRITYGETGGNSPVQEFTVPYSSSTATISGLSPGVDYTITVYAWGEDSAGYMFMYSPISINYRTC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with C chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -2.3672
• Maximal score value: 1.7252
• Average score: -0.2157
• Total score value: -21.7907

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	G	C	-0.6148
2	S	C	-0.1764
3	S	C	0.4151
4	V	C	1.6199
5	S	C	0.5924
6	S	C	0.0147
7	V	C	0.0000
8	P	C	0.0000
9	T	C	-0.8722
10	K	C	-2.1347
11	L	C	-1.3446
12	E	C	-1.4777
13	V	C	0.0000
14	V	C	1.3653
15	A	C	0.8645
16	A	C	0.4118
17	T	C	-0.1530
18	P	C	-0.4129
19	T	C	-0.3662
20	S	C	-0.1840
21	L	C	0.0000
22	L	C	0.6576
23	I	C	0.0000
24	S	C	-0.5300
25	W	C	0.0000
26	D	C	-1.1034
27	A	C	-0.0885
28	P	C	0.2104
29	M	C	0.8018
30	S	C	0.1742
31	S	C	-0.0178
32	S	C	0.0003
33	S	C	0.2609
34	V	C	1.1502
35	Y	C	1.7252
36	Y	C	1.3924
37	Y	C	0.0000
38	R	C	-0.2656
39	I	C	0.0000
40	T	C	0.0000
41	Y	C	-0.6634
42	G	C	-1.3642
43	E	C	-2.3672
44	T	C	-1.7018
45	G	C	-1.5278
46	G	C	-1.8297
47	N	C	-1.8242
48	S	C	-1.2191
49	P	C	-0.6958
50	V	C	-0.2593
51	Q	C	-1.4979
52	E	C	-1.8796
53	F	C	-0.6198
54	T	C	-0.0179
55	V	C	0.6036
56	P	C	0.8284
57	Y	C	1.7050
58	S	C	0.6016
59	S	C	0.2134
60	S	C	-0.0425
61	T	C	-0.0970
62	A	C	0.0000
63	T	C	0.2162
64	I	C	0.0000
65	S	C	-0.4711
66	G	C	-0.6799
67	L	C	0.0000
68	S	C	-0.8702
69	P	C	-0.7672
70	G	C	-0.8653
71	V	C	-1.0218
72	D	C	-2.1094
73	Y	C	0.0000
74	T	C	-1.0403
75	I	C	0.0000
76	T	C	-0.1280
77	V	C	0.0000
78	Y	C	0.2247
79	A	C	0.0000
80	W	C	1.0847
81	G	C	0.0000
82	E	C	-0.1689
83	D	C	-0.8899
84	S	C	-0.6978
85	A	C	-0.2657
86	G	C	-0.2539
87	Y	C	0.8572
88	M	C	1.0332
89	F	C	1.2478
90	M	C	1.1160
91	Y	C	0.0000
92	S	C	0.4408
93	P	C	0.0220
94	I	C	-0.0508
95	S	C	-0.4252
96	I	C	-0.5147
97	N	C	-1.5630
98	Y	C	-1.3715
99	R	C	-2.2202
100	T	C	0.0000
101	C	C	0.0818