Project name: query_structure

Chain sequence(s)	A: GSARDDSLVGDAGANVLNGLAGNDLLLGGAGDDVLLGDEGSDVLDGDAGNDDLFGGQGDDRYVFGVGYGHDTIYESGGGHDTIRINAGADQLWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEKLVEAMAQYPD
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.2471
• Maximal score value: 1.6227
• Average score: -0.9685
• Total score value: -147.2076

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	-0.8787
2	S	A	-1.0806
3	A	A	-1.5648
4	R	A	-3.0460
5	D	A	-3.2471
6	D	A	-1.7038
7	S	A	-0.2156
8	L	A	0.9045
9	V	A	1.6177
10	G	A	0.3770
11	D	A	-1.4659
12	A	A	-1.2309
13	G	A	-1.0616
14	A	A	-0.8504
15	N	A	0.2754
16	V	A	1.6227
17	L	A	1.5069
18	N	A	0.4944
19	G	A	0.0000
20	L	A	-0.5825
21	A	A	-1.7918
22	G	A	-2.5464
23	N	A	-2.7316
24	D	A	0.0000
25	L	A	0.3191
26	L	A	0.0000
27	L	A	0.9219
28	G	A	0.0000
29	G	A	-0.7936
30	A	A	-1.3507
31	G	A	-1.7922
32	D	A	-2.4017
33	D	A	0.0000
34	V	A	0.5599
35	L	A	0.0000
36	L	A	0.7071
37	G	A	0.0000
38	D	A	-1.3180
39	E	A	-2.6297
40	G	A	-2.5299
41	S	A	-2.2791
42	D	A	0.0000
43	V	A	0.0326
44	L	A	0.0000
45	D	A	-0.2057
46	G	A	0.0000
47	D	A	-1.1967
48	A	A	-1.0771
49	G	A	-1.9458
50	N	A	-2.4595
51	D	A	0.0000
52	D	A	-0.5574
53	L	A	0.0000
54	F	A	0.4687
55	G	A	0.0000
56	G	A	-1.3074
57	Q	A	-2.5765
58	G	A	-2.6644
59	D	A	-2.8916
60	D	A	0.0000
61	R	A	-1.5838
62	Y	A	0.0000
63	V	A	0.0000
64	F	A	0.0000
65	G	A	0.0000
66	V	A	1.0202
67	G	A	-0.1310
68	Y	A	-0.6285
69	G	A	-1.4255
70	H	A	-1.8953
71	D	A	0.0000
72	T	A	-0.5255
73	I	A	0.0000
74	Y	A	0.2068
75	E	A	0.0000
76	S	A	-1.1307
77	G	A	-1.8267
78	G	A	-1.9571
79	G	A	-2.1637
80	H	A	-2.0552
81	D	A	0.0000
82	T	A	0.0000
83	I	A	0.0000
84	R	A	-2.2497
85	I	A	0.0000
86	N	A	-1.0388
87	A	A	0.0000
88	G	A	-1.6293
89	A	A	-1.7567
90	D	A	-2.1706
91	Q	A	-1.7662
92	L	A	0.0000
93	W	A	-0.2581
94	F	A	0.0000
95	A	A	-1.6245
96	R	A	-2.8528
97	Q	A	-2.4265
98	G	A	-2.1314
99	N	A	-2.5588
100	D	A	-2.2184
101	L	A	0.0000
102	E	A	-1.3177
103	I	A	0.0000
104	R	A	-0.7482
105	I	A	0.0000
106	L	A	-0.1254
107	G	A	-0.4459
108	T	A	-0.7628
109	D	A	-1.7864
110	D	A	0.0000
111	A	A	-0.8194
112	L	A	0.0000
113	T	A	-0.7909
114	V	A	0.0000
115	H	A	-1.0628
116	D	A	0.0000
117	W	A	0.0000
118	Y	A	-2.1810
119	R	A	-3.0268
120	D	A	-2.6921
121	A	A	-1.9991
122	D	A	-2.8031
123	H	A	-2.1525
124	R	A	-1.9202
125	V	A	0.0000
126	E	A	-1.7365
127	I	A	-1.5528
128	I	A	0.0000
129	H	A	-1.7344
130	A	A	0.0000
131	A	A	-1.5093
132	N	A	-2.0742
133	Q	A	-1.9930
134	A	A	-1.4392
135	V	A	0.0000
136	D	A	-2.5381
137	Q	A	-2.3586
138	A	A	-1.7593
139	G	A	-1.9306
140	I	A	0.0000
141	E	A	-2.9774
142	K	A	-2.7728
143	L	A	-1.3510
144	V	A	0.0000
145	E	A	-2.8129
146	A	A	-1.3696
147	M	A	-0.9620
148	A	A	-1.2324
149	Q	A	-1.1196
150	Y	A	0.0202
151	P	A	-0.7417
152	D	A	-1.6835