Project name: query_structure

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

• Minimal score value: -2.473
• Maximal score value: 2.5047
• Average score: -0.3433
• Total score value: -41.1972

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	0.1889
2	M	A	-0.0337
3	H	A	-0.7217
4	V	A	0.0000
5	A	A	-0.4708
6	Q	A	-0.2205
7	P	A	-0.0420
8	A	A	0.1471
9	V	A	1.3098
10	V	A	1.5627
11	L	A	2.2814
12	A	A	0.8314
13	S	A	-0.1263
14	S	A	-0.9142
15	R	A	-2.1734
16	G	A	0.0000
17	I	A	-0.3566
18	A	A	0.0000
19	S	A	-0.0533
20	F	A	0.0000
21	V	A	-0.2923
22	C	A	0.0000
23	E	A	-1.3017
24	Y	A	0.0000
25	A	A	-0.7568
26	S	A	-1.0956
27	P	A	-0.9295
28	G	A	-1.3404
29	K	A	-2.1351
30	A	A	0.0000
31	T	A	-0.9949
32	E	A	-0.9410
33	V	A	0.0000
34	R	A	-0.6222
35	V	A	0.0000
36	T	A	0.0000
37	V	A	0.0000
38	L	A	-0.2287
39	R	A	-0.7407
40	Q	A	-1.0104
41	A	A	-1.1288
42	D	A	-2.1561
43	S	A	-1.4660
44	Q	A	-1.5888
45	V	A	-0.2622
46	T	A	-0.6976
47	E	A	-1.5871
48	V	A	-0.2175
49	C	A	0.0000
50	A	A	-0.0631
51	A	A	0.0000
52	T	A	-0.3173
53	Y	A	0.0000
54	M	A	-0.5122
55	M	A	-0.7136
56	G	A	-1.3121
57	N	A	-2.1897
58	E	A	-2.4730
59	L	A	0.0000
60	T	A	-0.5226
61	F	A	0.0370
62	L	A	0.4521
63	D	A	-1.7118
64	D	A	-1.9202
65	S	A	-0.4037
66	I	A	0.5592
67	C	A	0.0000
68	T	A	-0.1161
69	G	A	-0.6923
70	T	A	-1.1393
71	S	A	-1.4856
72	S	A	-1.4409
73	G	A	-1.1365
74	N	A	-1.2947
75	Q	A	-1.4031
76	V	A	0.0000
77	N	A	-1.0562
78	L	A	0.0000
79	T	A	-0.1751
80	I	A	0.0000
81	Q	A	-0.8955
82	G	A	-1.2344
83	L	A	0.0000
84	R	A	-1.6091
85	A	A	0.0370
86	M	A	0.5708
87	D	A	-0.1160
88	T	A	0.4234
89	G	A	-0.0829
90	L	A	-0.0703
91	Y	A	0.0000
92	I	A	0.1156
93	C	A	0.0000
94	K	A	0.0576
95	V	A	0.0000
96	E	A	-0.0705
97	A	A	0.0000
98	G	A	0.0000
99	C	A	-1.5741
100	K	A	-2.0176
101	N	A	-0.8875
102	F	A	1.9846
103	F	A	2.5047
104	W	A	1.1935
105	K	A	-1.1273
106	T	A	-0.7125
107	F	A	-0.2390
108	T	A	-0.2416
109	S	A	-0.0151
110	C	A	0.4061
111	G	A	0.0000
112	I	A	1.4584
113	G	A	0.0000
114	N	A	-0.9570
115	G	A	0.0000
116	T	A	0.0000
117	Q	A	0.3112
118	I	A	0.0000
119	Y	A	1.7531
120	V	A	1.1526