Project name: query_structure

Chain sequence(s)	A: MGVSDVPRDLEVVAATPTSLLISWSQPGRYVKYYRITYGETGGNSPVQEFTVPNDTYTATISGLKPGVDYTITVYAVYGKYGPYYGYDPISINYRTEIDKPSQ
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.1314
• Maximal score value: 1.553
• Average score: -0.6965
• Total score value: -71.7356

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	M	A	1.2585
2	G	A	0.7307
3	V	A	1.5389
4	S	A	0.0450
5	D	A	-0.8900
6	V	A	-0.7518
7	P	A	0.0000
8	R	A	-3.1314
9	D	A	-3.1215
10	L	A	0.0000
11	E	A	-1.9308
12	V	A	0.1141
13	V	A	1.5530
14	A	A	0.8992
15	A	A	-0.0266
16	T	A	-1.0053
17	P	A	-1.9931
18	T	A	-1.2568
19	S	A	-0.6786
20	L	A	0.0000
21	L	A	0.7822
22	I	A	0.0000
23	S	A	-0.4511
24	W	A	0.0000
25	S	A	-1.4254
26	Q	A	-1.5534
27	P	A	-0.7382
28	G	A	-0.7640
29	R	A	-1.9829
30	Y	A	-1.0592
31	V	A	0.0000
32	K	A	-2.3723
33	Y	A	-1.3062
34	Y	A	0.0000
35	R	A	-0.6925
36	I	A	0.0000
37	T	A	0.0000
38	Y	A	-0.3043
39	G	A	0.0000
40	E	A	-1.6399
41	T	A	-1.3087
42	G	A	-1.2543
43	G	A	-1.4655
44	N	A	-1.5766
45	S	A	-0.8767
46	P	A	-0.3168
47	V	A	0.4579
48	Q	A	-0.8145
49	E	A	-1.6071
50	F	A	-0.5900
51	T	A	-0.3209
52	V	A	-0.4641
53	P	A	-1.3441
54	N	A	-2.2094
55	D	A	-2.2620
56	T	A	-0.8554
57	Y	A	0.0080
58	T	A	0.1999
59	A	A	0.0000
60	T	A	0.0758
61	I	A	0.0000
62	S	A	-0.6309
63	G	A	-0.9842
64	L	A	0.0000
65	K	A	-2.5142
66	P	A	-2.1289
67	G	A	-1.6223
68	V	A	-1.4262
69	D	A	-2.2731
70	Y	A	0.0000
71	T	A	-0.7868
72	I	A	0.0000
73	T	A	-0.4219
74	V	A	0.0000
75	Y	A	0.0258
76	A	A	0.0000
77	V	A	0.0000
78	Y	A	-0.5797
79	G	A	-0.5935
80	K	A	-0.3051
81	Y	A	0.9051
82	G	A	0.3382
83	P	A	0.4093
84	Y	A	1.4830
85	Y	A	1.1234
86	G	A	0.3360
87	Y	A	0.4517
88	D	A	-0.6482
89	P	A	-0.5046
90	I	A	-0.5584
91	S	A	-0.7170
92	I	A	-0.7065
93	N	A	-1.7152
94	Y	A	-1.6158
95	R	A	-2.6460
96	T	A	0.0000
97	E	A	-2.5068
98	I	A	-1.4272
99	D	A	-2.8014
100	K	A	-2.8487
101	P	A	-1.8426
102	S	A	-1.6651
103	Q	A	-1.6596