Project name: query_structure

Chain sequence(s)	A: DVQLVESGGGSVQAGGSLRLSCAVSGSTYSPCTCGWYRQAPGKEREWVSSISSPGTIYYQDSVKGRFTISRDNAKNTCYLQMNSLQREDTGMYYCQIQCGVRSIREYWGQGTQVTVSS
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.2892
• Maximal score value: 1.547
• Average score: -0.7412
• Total score value: -87.464

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	D	A	-2.1026
2	V	A	-1.3835
3	Q	A	-1.1242
4	L	A	0.0000
5	V	A	0.9024
6	E	A	0.0000
7	S	A	-0.5092
8	G	A	-1.2538
9	G	A	-1.1779
10	G	A	-0.9186
11	S	A	-0.6972
12	V	A	-0.8738
13	Q	A	-1.7492
14	A	A	-1.8550
15	G	A	-1.4130
16	G	A	-0.9792
17	S	A	-1.1607
18	L	A	-1.1653
19	R	A	-2.1492
20	L	A	0.0000
21	S	A	-0.4111
22	C	A	0.0000
23	A	A	-0.2264
24	V	A	-0.3322
25	S	A	-0.9298
26	G	A	-1.1498
27	S	A	-0.5349
28	T	A	-0.1171
29	Y	A	1.1124
30	S	A	0.6993
31	P	A	0.1915
32	C	A	0.0000
33	T	A	-0.4046
34	C	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.1308
38	R	A	0.0000
39	Q	A	-1.8127
40	A	A	-1.7958
41	P	A	-1.4449
42	G	A	-1.6956
43	K	A	-2.7073
44	E	A	-3.1053
45	R	A	-2.2911
46	E	A	-1.2318
47	W	A	-0.0149
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	S	A	0.0056
53	S	A	-0.5024
54	P	A	-0.3593
55	G	A	-0.1221
56	T	A	0.5040
57	I	A	1.5470
58	Y	A	1.3960
59	Y	A	-0.1088
60	Q	A	-1.2392
61	D	A	-2.4404
62	S	A	-1.9177
63	V	A	0.0000
64	K	A	-2.5266
65	G	A	-1.8003
66	R	A	-1.4225
67	F	A	0.0000
68	T	A	-0.5914
69	I	A	0.0000
70	S	A	-0.4899
71	R	A	-1.4021
72	D	A	-2.1086
73	N	A	-2.4150
74	A	A	-1.7827
75	K	A	-2.5627
76	N	A	-2.0842
77	T	A	0.0000
78	C	A	0.0000
79	Y	A	-0.6809
80	L	A	0.0000
81	Q	A	-1.2792
82	M	A	0.0000
83	N	A	-1.3181
84	S	A	-1.0736
85	L	A	0.0000
86	Q	A	-2.5772
87	R	A	-3.2892
88	E	A	-2.9772
89	D	A	0.0000
90	T	A	-1.5513
91	G	A	0.0000
92	M	A	-0.6342
93	Y	A	0.0000
94	Y	A	-0.1253
95	C	A	0.0000
96	Q	A	0.0000
97	I	A	0.0000
98	Q	A	-0.8034
99	C	A	0.0000
100	G	A	0.3220
101	V	A	0.9693
102	R	A	-0.8454
103	S	A	-0.3289
104	I	A	0.4825
105	R	A	-1.7931
106	E	A	-1.9130
107	Y	A	-0.8015
108	W	A	-0.0672
109	G	A	-0.1121
110	Q	A	-0.8843
111	G	A	0.0000
112	T	A	-0.7566
113	Q	A	-1.3395
114	V	A	0.0000
115	T	A	-1.1819
116	V	A	0.0000
117	S	A	-1.4253
118	S	A	-1.1132