Project name: query_structure

Chain sequence(s)	A: QLQLVESGGGLVQAGGSMRLSCAASISFSSFPMGWHRQAPGKQRELVAKTGIGGTAYDDSVKGRGTISRDNTKNTVYLQMNSLKVEDTAVYYCWGWRMNDYWGQGTQVYVSS
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.0996
• Maximal score value: 1.5555
• Average score: -0.7261
• Total score value: -81.324

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	Q	A	-1.2912
2	L	A	-0.8870
3	Q	A	-1.0807
4	L	A	0.0000
5	V	A	0.4110
6	E	A	0.0000
7	S	A	-0.7061
8	G	A	-1.2358
9	G	A	-0.7307
10	G	A	0.4289
11	L	A	1.5555
12	V	A	0.5615
13	Q	A	-0.8346
14	A	A	-1.0620
15	G	A	-1.2779
16	G	A	-1.1896
17	S	A	-1.5214
18	M	A	0.0000
19	R	A	-2.3090
20	L	A	0.0000
21	S	A	-0.5745
22	C	A	0.0000
23	A	A	-0.2517
24	A	A	0.0000
25	S	A	-0.4415
26	I	A	0.1304
27	S	A	-0.3070
28	F	A	0.0000
29	S	A	-0.2317
30	S	A	-0.1827
31	F	A	0.0000
32	P	A	-0.1291
33	M	A	0.0000
34	G	A	0.0000
35	W	A	0.0000
36	H	A	-0.8609
37	R	A	-1.5023
38	Q	A	-2.1175
39	A	A	-2.0069
40	P	A	-1.5193
41	G	A	-1.8117
42	K	A	-3.0996
43	Q	A	-3.0321
44	R	A	-2.5497
45	E	A	-2.3386
46	L	A	-0.9251
47	V	A	0.0000
48	A	A	0.0000
49	K	A	-0.5883
50	T	A	0.0000
51	G	A	0.3954
52	I	A	1.5394
53	G	A	0.2351
54	G	A	-0.1273
55	T	A	-0.1642
56	A	A	-0.6228
57	Y	A	-1.0165
58	D	A	-1.9276
59	D	A	-2.6429
60	S	A	-1.9586
61	V	A	0.0000
62	K	A	-2.7394
63	G	A	-1.8634
64	R	A	-1.4809
65	G	A	-1.4106
66	T	A	-0.9269
67	I	A	0.0000
68	S	A	-0.6256
69	R	A	-1.2515
70	D	A	-1.5348
71	N	A	-1.6586
72	T	A	-1.4779
73	K	A	-2.1909
74	N	A	-1.4828
75	T	A	-0.9620
76	V	A	0.0000
77	Y	A	-0.7061
78	L	A	0.0000
79	Q	A	-1.3696
80	M	A	0.0000
81	N	A	-1.7686
82	S	A	-1.4546
83	L	A	0.0000
84	K	A	-1.7905
85	V	A	-0.5315
86	E	A	-1.6786
87	D	A	0.0000
88	T	A	-0.1205
89	A	A	0.0000
90	V	A	-0.5114
91	Y	A	0.0000
92	Y	A	-0.3436
93	C	A	0.0000
94	W	A	0.1778
95	G	A	0.0000
96	W	A	-0.6872
97	R	A	-1.6006
98	M	A	-0.4970
99	N	A	-1.7142
100	D	A	-1.7597
101	Y	A	-0.7370
102	W	A	-0.0197
103	G	A	-0.2014
104	Q	A	-1.0903
105	G	A	-0.6741
106	T	A	-0.7703
107	Q	A	-0.9234
108	V	A	0.0000
109	Y	A	1.2672
110	V	A	0.0000
111	S	A	-0.0178
112	S	A	-0.3971