Project name: query_structure

Chain sequence(s)	A: AMHVAQPAVVLASSRGIASFVCEYAAGCKNFFWKTFTSCATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPEPCPDSD
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.5073
• Maximal score value: 2.7331
• Average score: -0.262
• Total score value: -35.3691

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	0.7045
2	M	A	0.3237
3	H	A	-0.6015
4	V	A	0.0000
5	A	A	-0.5373
6	Q	A	-0.1671
7	P	A	0.1974
8	A	A	0.4829
9	V	A	1.9109
10	V	A	1.6593
11	L	A	2.3718
12	A	A	0.0000
13	S	A	-0.2703
14	S	A	-1.3424
15	R	A	-2.3537
16	G	A	0.0000
17	I	A	-0.6415
18	A	A	0.0000
19	S	A	-0.0668
20	F	A	0.0000
21	V	A	-0.2779
22	C	A	0.0000
23	E	A	-1.4496
24	Y	A	0.0000
25	A	A	-0.8535
26	A	A	-0.7902
27	G	A	-0.4792
28	C	A	-0.2870
29	K	A	-1.2004
30	N	A	0.1429
31	F	A	2.1269
32	F	A	2.7331
33	W	A	1.8962
34	K	A	0.1694
35	T	A	1.1022
36	F	A	2.0137
37	T	A	0.6857
38	S	A	0.2933
39	C	A	0.2179
40	A	A	0.0000
41	T	A	0.1994
42	E	A	-0.1653
43	V	A	0.0000
44	R	A	-0.7302
45	V	A	0.0000
46	T	A	0.0000
47	V	A	0.0000
48	L	A	-0.2169
49	R	A	-0.6589
50	Q	A	-0.8651
51	A	A	-1.0544
52	D	A	-2.1084
53	S	A	-1.4281
54	Q	A	-1.4890
55	V	A	-0.0963
56	T	A	-0.6268
57	E	A	-1.5216
58	V	A	-0.5478
59	C	A	0.0000
60	A	A	-0.4331
61	A	A	0.0000
62	T	A	-0.3250
63	Y	A	0.0000
64	M	A	-0.5016
65	M	A	-0.7619
66	G	A	-1.4742
67	N	A	-2.2862
68	E	A	-2.5073
69	L	A	0.0000
70	T	A	-0.4983
71	F	A	-0.1082
72	L	A	0.3856
73	D	A	-1.7089
74	D	A	-2.1566
75	S	A	-1.1032
76	I	A	-0.5512
77	C	A	0.0000
78	T	A	-0.4578
79	G	A	-0.7467
80	T	A	-1.2825
81	S	A	-1.4708
82	S	A	-1.5017
83	G	A	-1.0248
84	N	A	-1.1158
85	Q	A	-1.5231
86	V	A	0.0000
87	N	A	-1.2104
88	L	A	0.0000
89	T	A	-0.2708
90	I	A	0.0000
91	Q	A	-1.0792
92	G	A	-1.3695
93	L	A	0.0000
94	R	A	-1.9361
95	A	A	-0.3886
96	M	A	0.3898
97	D	A	-0.1648
98	T	A	0.3705
99	G	A	-0.1607
100	L	A	0.0725
101	Y	A	0.0000
102	I	A	0.1092
103	C	A	0.0000
104	K	A	0.1453
105	V	A	0.0000
106	E	A	0.5664
107	L	A	0.0000
108	M	A	1.1078
109	Y	A	1.3963
110	P	A	0.6782
111	P	A	0.5993
112	P	A	0.7176
113	Y	A	1.9569
114	Y	A	1.8046
115	L	A	1.3135
116	G	A	0.0000
117	I	A	1.3523
118	G	A	0.0000
119	N	A	-0.9709
120	G	A	0.0000
121	T	A	0.0000
122	Q	A	0.4948
123	I	A	0.0000
124	Y	A	1.4534
125	V	A	0.0000
126	I	A	0.4681
127	D	A	-2.0572
128	P	A	-1.8226
129	E	A	-2.1704
130	P	A	-1.4387
131	C	A	-0.5566
132	P	A	-1.3949
133	D	A	-2.3419
134	S	A	-1.8726
135	D	A	-2.4104