Project name: query_structure

Chain sequence(s)	A: GSARDDVLIGDAGANWLFGLAGNDVLSGGAGDDLLEGDEGSDLLSGDAGNDALTGGQGDDTYLFGVGYGHDDIAESGGGHDTIRINAGADQLWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEKLVEAMAQYPD
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.2069
• Maximal score value: 2.1845
• Average score: -0.968
• Total score value: -147.1372

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	A	-0.2716
2	S	A	-0.7602
3	A	A	-1.5422
4	R	A	-2.8292
5	D	A	-2.7673
6	D	A	-0.5176
7	V	A	1.7811
8	L	A	2.0590
9	I	A	2.1845
10	G	A	0.1978
11	D	A	-1.4725
12	A	A	-1.2403
13	G	A	-1.1269
14	A	A	-0.9831
15	N	A	0.0366
16	W	A	1.1262
17	L	A	1.3493
18	F	A	0.8483
19	G	A	0.0000
20	L	A	-0.5025
21	A	A	-1.6466
22	G	A	-2.5001
23	N	A	-2.4663
24	D	A	0.0000
25	V	A	1.2645
26	L	A	0.0000
27	S	A	1.0499
28	G	A	0.0000
29	G	A	-0.6455
30	A	A	-1.2607
31	G	A	-1.7190
32	D	A	-2.3353
33	D	A	0.0000
34	L	A	0.1556
35	L	A	0.0000
36	E	A	-0.1322
37	G	A	0.0000
38	D	A	-1.5996
39	E	A	-2.7195
40	G	A	-2.5738
41	S	A	-2.0955
42	D	A	0.0000
43	L	A	0.4969
44	L	A	0.0000
45	S	A	0.0000
46	G	A	0.0000
47	D	A	-0.6068
48	A	A	-0.7167
49	G	A	-1.6897
50	N	A	-2.2989
51	D	A	0.0000
52	A	A	-0.6252
53	L	A	0.0000
54	T	A	-0.4112
55	G	A	0.0000
56	G	A	0.0000
57	Q	A	-2.7107
58	G	A	-2.6392
59	D	A	-2.8601
60	D	A	0.0000
61	T	A	-0.4852
62	Y	A	0.0000
63	L	A	-0.5512
64	F	A	0.0000
65	G	A	0.0000
66	V	A	1.0122
67	G	A	0.0422
68	Y	A	-0.2463
69	G	A	-1.2762
70	H	A	-1.7839
71	D	A	0.0000
72	D	A	-0.8618
73	I	A	0.0000
74	A	A	-0.5134
75	E	A	0.0000
76	S	A	-1.3421
77	G	A	-2.1055
78	G	A	-2.2200
79	G	A	-2.4841
80	H	A	-2.2531
81	D	A	0.0000
82	T	A	-1.2877
83	I	A	0.0000
84	R	A	-2.0256
85	I	A	0.0000
86	N	A	-1.4545
87	A	A	0.0000
88	G	A	-1.7646
89	A	A	-1.7458
90	D	A	-2.2213
91	Q	A	-1.8897
92	L	A	0.0000
93	W	A	-0.3263
94	F	A	0.0000
95	A	A	-1.7461
96	R	A	-3.2010
97	Q	A	-2.8749
98	G	A	-2.5452
99	N	A	-3.2069
100	D	A	-2.7378
101	L	A	0.0000
102	E	A	-1.4889
103	I	A	0.0000
104	R	A	-0.8091
105	I	A	0.0000
106	L	A	-0.2379
107	G	A	-0.5027
108	T	A	-0.7981
109	D	A	-1.7670
110	D	A	0.0000
111	A	A	-0.8398
112	L	A	0.0000
113	T	A	0.0000
114	V	A	0.0000
115	H	A	-1.6718
116	D	A	-2.6401
117	W	A	0.0000
118	Y	A	-2.5037
119	R	A	-3.1919
120	D	A	-2.5237
121	A	A	-1.9883
122	D	A	-2.9435
123	H	A	-2.3937
124	R	A	-2.1351
125	V	A	0.0000
126	E	A	-2.1798
127	I	A	-1.2521
128	I	A	0.0000
129	H	A	-1.7391
130	A	A	0.0000
131	A	A	-1.6835
132	N	A	-2.1209
133	Q	A	-1.9685
134	A	A	-1.2572
135	V	A	-1.2047
136	D	A	-2.1625
137	Q	A	-1.7495
138	A	A	-1.4016
139	G	A	-1.6136
140	I	A	0.0000
141	E	A	-2.7234
142	K	A	-2.6585
143	L	A	-1.2743
144	V	A	0.0000
145	E	A	-2.8346
146	A	A	-1.3800
147	M	A	-1.0115
148	A	A	-1.1116
149	Q	A	-1.1339
150	Y	A	0.0049
151	P	A	-0.7475
152	D	A	-1.6864