Project name: query_structure

Chain sequence(s)	A: AMHVAQPAVVLASSRGIASFVCEYAAGCKNFFWKTFTSCATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYV
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]                                                (00:00:01)
[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 A 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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -2.5147
• Maximal score value: 2.7581
• Average score: -0.153
• Total score value: -19.1224

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	A	A	0.5807
2	M	A	0.2027
3	H	A	-0.8006
4	V	A	0.0000
5	A	A	-0.6688
6	Q	A	-0.3021
7	P	A	0.1247
8	A	A	0.4038
9	V	A	1.7767
10	V	A	1.7120
11	L	A	2.3576
12	A	A	0.9150
13	S	A	-0.0696
14	S	A	-0.8713
15	R	A	-2.0990
16	G	A	0.0000
17	I	A	-0.3334
18	A	A	0.0000
19	S	A	-0.0420
20	F	A	0.0000
21	V	A	-0.3354
22	C	A	0.0000
23	E	A	-1.5923
24	Y	A	0.0000
25	A	A	-0.8670
26	A	A	-0.7643
27	G	A	-0.4550
28	C	A	-0.1961
29	K	A	-1.1397
30	N	A	0.2391
31	F	A	2.1612
32	F	A	2.7581
33	W	A	1.9547
34	K	A	0.1923
35	T	A	1.0536
36	F	A	2.0161
37	T	A	0.7249
38	S	A	0.3506
39	C	A	0.2781
40	A	A	0.7041
41	T	A	0.2330
42	E	A	-0.1014
43	V	A	0.0000
44	R	A	-0.7453
45	V	A	0.0000
46	T	A	0.0000
47	V	A	0.0000
48	L	A	-0.5435
49	R	A	-0.7651
50	Q	A	-1.2460
51	A	A	-1.1977
52	D	A	-2.2293
53	S	A	-1.5922
54	Q	A	-1.7419
55	V	A	-0.5867
56	T	A	-0.9279
57	E	A	-1.7167
58	V	A	-0.7644
59	C	A	0.0000
60	A	A	-0.4685
61	A	A	0.0000
62	T	A	-0.3226
63	Y	A	0.0000
64	M	A	-0.4789
65	M	A	-0.7466
66	G	A	-1.4713
67	N	A	-2.3279
68	E	A	-2.5147
69	L	A	0.0000
70	T	A	-0.5106
71	F	A	-0.1535
72	L	A	0.3563
73	D	A	-1.7418
74	D	A	-2.1922
75	S	A	-1.1699
76	I	A	-0.5727
77	C	A	0.0000
78	T	A	-0.6715
79	G	A	-0.7620
80	T	A	-1.3081
81	S	A	-1.5167
82	S	A	-1.5514
83	G	A	-1.1764
84	N	A	-1.1545
85	Q	A	-1.6132
86	V	A	0.0000
87	N	A	-1.2837
88	L	A	0.0000
89	T	A	-0.2633
90	I	A	0.0000
91	Q	A	-0.9669
92	G	A	-1.2438
93	L	A	0.0000
94	R	A	-1.2416
95	A	A	0.2278
96	M	A	0.7673
97	D	A	0.0000
98	T	A	0.5773
99	G	A	0.0186
100	L	A	0.1910
101	Y	A	0.0000
102	I	A	0.0000
103	C	A	0.0000
104	K	A	-0.2956
105	V	A	0.0000
106	E	A	0.4204
107	L	A	0.0000
108	M	A	1.0168
109	Y	A	1.3631
110	P	A	0.6401
111	P	A	0.5557
112	P	A	0.6611
113	Y	A	1.8364
114	Y	A	1.6660
115	L	A	1.0910
116	G	A	0.0000
117	I	A	0.7403
118	G	A	0.0000
119	N	A	-1.1563
120	G	A	0.0000
121	T	A	0.0000
122	Q	A	0.4760
123	I	A	0.0000
124	Y	A	1.8484
125	V	A	1.2559