Project name: query_structure

Chain sequence(s)	A: DVQLVESGGGSVQAGGSLRLSCAVSGSTYSPCTCGWYRQAPGKEREWVCSISSPGTIYYQDSVKGRFTCSRDNAKNTCYLQMNSLQREDTGMYYCQIQCGVRSIREYWGQGTQVTVSS
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.5201
• Maximal score value: 1.3804
• Average score: -0.8016
• Total score value: -94.5929

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	-2.0903
2	V	A	-1.3294
3	Q	A	-1.1150
4	L	A	0.0000
5	V	A	0.7874
6	E	A	0.0000
7	S	A	-0.5486
8	G	A	-1.2970
9	G	A	-1.1571
10	G	A	-0.8661
11	S	A	-0.6801
12	V	A	-0.8464
13	Q	A	-1.7166
14	A	A	-1.8638
15	G	A	-1.4902
16	G	A	-1.1228
17	S	A	-1.4550
18	L	A	-1.3694
19	R	A	-2.3866
20	L	A	0.0000
21	S	A	-0.5403
22	C	A	0.0000
23	A	A	-0.2514
24	V	A	-0.3568
25	S	A	-0.9474
26	G	A	-1.1631
27	S	A	-0.5820
28	T	A	-0.2471
29	Y	A	1.0421
30	S	A	0.4782
31	P	A	0.1041
32	C	A	-0.1379
33	T	A	-0.3570
34	C	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2818
38	R	A	0.0000
39	Q	A	-2.1066
40	A	A	-2.0756
41	P	A	-1.6433
42	G	A	-1.9843
43	K	A	-3.3464
44	E	A	-3.5201
45	R	A	-2.6918
46	E	A	-1.6899
47	W	A	-0.1726
48	V	A	0.0000
49	C	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	S	A	0.0187
53	S	A	-0.5229
54	P	A	-0.3497
55	G	A	-0.1641
56	T	A	0.4238
57	I	A	1.3804
58	Y	A	1.3027
59	Y	A	-0.1083
60	Q	A	-1.2108
61	D	A	-2.4025
62	S	A	-1.8621
63	V	A	0.0000
64	K	A	-2.5155
65	G	A	-1.8892
66	R	A	-1.7181
67	F	A	0.0000
68	T	A	-0.8578
69	C	A	0.0000
70	S	A	-0.6110
71	R	A	-1.4793
72	D	A	-2.1229
73	N	A	-2.4215
74	A	A	-1.8010
75	K	A	-2.5926
76	N	A	-2.1486
77	T	A	-1.3058
78	C	A	0.0000
79	Y	A	0.0000
80	L	A	0.0000
81	Q	A	-1.7657
82	M	A	0.0000
83	N	A	-2.0293
84	S	A	-1.3452
85	L	A	0.0000
86	Q	A	-2.5452
87	R	A	-3.0431
88	E	A	-2.8566
89	D	A	0.0000
90	T	A	-1.4907
91	G	A	0.0000
92	M	A	-0.6714
93	Y	A	0.0000
94	Y	A	-0.1934
95	C	A	0.0000
96	Q	A	0.0000
97	I	A	0.0000
98	Q	A	-0.8129
99	C	A	0.0000
100	G	A	0.2396
101	V	A	0.6732
102	R	A	-1.0980
103	S	A	-0.4354
104	I	A	0.4748
105	R	A	-1.5212
106	E	A	-1.5781
107	Y	A	-0.6555
108	W	A	-0.0408
109	G	A	-0.1165
110	Q	A	-0.9007
111	G	A	0.0000
112	T	A	0.0000
113	Q	A	-1.3311
114	V	A	0.0000
115	T	A	-1.1253
116	V	A	0.0000
117	S	A	-1.3820
118	S	A	-1.0663