Project name: query_structure

Chain sequence(s)	A: GSARDDVLIGDAGANSLVGLAGNDVLSGGAGDDLLLGDEGSDLLSGDAGNDVLDGGQGDDTYLFGVGYGHDRIVESGGGHDTIRINAGADQLWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEKLVEAMAQYPD
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                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.0612
• Maximal score value: 2.1668
• Average score: -0.9587
• Total score value: -145.7237

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	-0.3528
2	S	A	-1.0023
3	A	A	-1.6051
4	R	A	-2.8662
5	D	A	-2.8154
6	D	A	-0.5741
7	V	A	1.7396
8	L	A	2.0292
9	I	A	2.1668
10	G	A	-0.0346
11	D	A	-1.4868
12	A	A	-1.2434
13	G	A	-1.2808
14	A	A	-1.2648
15	N	A	-0.6347
16	S	A	0.0050
17	L	A	0.9310
18	V	A	0.7418
19	G	A	0.0000
20	L	A	-0.6346
21	A	A	-1.8402
22	G	A	-2.5828
23	N	A	-2.5441
24	D	A	0.0000
25	V	A	1.1408
26	L	A	0.0000
27	S	A	1.0438
28	G	A	0.0000
29	G	A	-0.6747
30	A	A	-1.2768
31	G	A	-1.6951
32	D	A	-2.3925
33	D	A	0.0000
34	L	A	0.1494
35	L	A	0.0000
36	L	A	0.5046
37	G	A	0.0000
38	D	A	-1.6933
39	E	A	-2.8769
40	G	A	-2.6912
41	S	A	-2.1852
42	D	A	0.0000
43	L	A	0.4481
44	L	A	0.0000
45	S	A	0.0000
46	G	A	0.0000
47	D	A	-0.5997
48	A	A	-0.7554
49	G	A	-1.6909
50	N	A	-2.4249
51	D	A	0.0000
52	V	A	-0.3692
53	L	A	0.0000
54	D	A	-0.1578
55	G	A	0.0000
56	G	A	-1.7213
57	Q	A	-2.8883
58	G	A	-2.6962
59	D	A	-2.8158
60	D	A	0.0000
61	T	A	-0.4507
62	Y	A	0.0000
63	L	A	-0.4120
64	F	A	0.0000
65	G	A	0.0000
66	V	A	1.0105
67	G	A	-0.0005
68	Y	A	-0.3122
69	G	A	-1.5015
70	H	A	-2.2498
71	D	A	0.0000
72	R	A	-1.5504
73	I	A	0.0000
74	V	A	-0.0799
75	E	A	0.0000
76	S	A	-1.0470
77	G	A	-1.9114
78	G	A	-1.9640
79	G	A	-2.2038
80	H	A	-2.0348
81	D	A	0.0000
82	T	A	-1.0586
83	I	A	0.0000
84	R	A	-1.7897
85	I	A	0.0000
86	N	A	-1.3869
87	A	A	0.0000
88	G	A	-1.7418
89	A	A	-1.7995
90	D	A	-2.2183
91	Q	A	-1.8794
92	L	A	0.0000
93	W	A	-0.3777
94	F	A	0.0000
95	A	A	-1.6270
96	R	A	-2.9391
97	Q	A	-2.6755
98	G	A	-2.3429
99	N	A	-2.8720
100	D	A	-2.6098
101	L	A	0.0000
102	E	A	-1.7543
103	I	A	0.0000
104	R	A	-0.8929
105	I	A	0.0000
106	L	A	-0.2363
107	G	A	-0.4994
108	T	A	-0.7927
109	D	A	-1.8186
110	D	A	0.0000
111	A	A	0.0000
112	L	A	0.0000
113	T	A	-1.3123
114	V	A	0.0000
115	H	A	-1.4619
116	D	A	-2.1978
117	W	A	0.0000
118	Y	A	-2.3006
119	R	A	-3.0612
120	D	A	-2.5104
121	A	A	-1.8700
122	D	A	-2.7205
123	H	A	-2.0201
124	R	A	-1.6744
125	V	A	0.0000
126	E	A	-1.6403
127	I	A	-1.0303
128	I	A	0.0000
129	H	A	-1.6460
130	A	A	0.0000
131	A	A	-1.5721
132	N	A	-2.0510
133	Q	A	-1.9054
134	A	A	-1.2914
135	V	A	0.0000
136	D	A	-2.0759
137	Q	A	-1.5522
138	A	A	-1.2327
139	G	A	-1.5682
140	I	A	0.0000
141	E	A	-2.1664
142	K	A	-2.4289
143	L	A	-1.2446
144	V	A	0.0000
145	E	A	-2.6870
146	A	A	-1.3220
147	M	A	-0.9237
148	A	A	-1.2598
149	Q	A	-1.1186
150	Y	A	0.0251
151	P	A	-0.7356
152	D	A	-1.6798