Project name: query_structure

Chain sequence(s)	A: MAQVQLLESGGGLVQPGGSLRLSCAASGVTITDEDMTRVRQAPGKGLEWVSSILNTGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAVHEKAADMNFWGQGTLVTVSS
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -3.135
• Maximal score value: 1.6171
• Average score: -0.6382
• Total score value: -77.2255

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	M	A	0.8022
2	A	A	-0.0762
3	Q	A	-0.9370
4	V	A	-0.1164
5	Q	A	-0.3779
6	L	A	0.0000
7	L	A	0.9569
8	E	A	0.2506
9	S	A	-0.3506
10	G	A	-0.6499
11	G	A	0.1262
12	G	A	0.7017
13	L	A	1.4141
14	V	A	-0.1263
15	Q	A	-1.4508
16	P	A	-1.8235
17	G	A	-1.5650
18	G	A	-1.0504
19	S	A	-1.3657
20	L	A	-0.9724
21	R	A	-2.2461
22	L	A	0.0000
23	S	A	-0.5302
24	C	A	0.0000
25	A	A	-0.1058
26	A	A	0.0000
27	S	A	-0.2639
28	G	A	-0.3312
29	V	A	-0.3017
30	T	A	-0.9343
31	I	A	0.0000
32	T	A	-1.4655
33	D	A	-2.3165
34	E	A	0.0000
35	D	A	-0.9198
36	M	A	0.0000
37	T	A	0.0000
38	R	A	0.0000
39	V	A	0.0000
40	R	A	0.0000
41	Q	A	-0.4588
42	A	A	-1.0540
43	P	A	-1.3161
44	G	A	-1.5859
45	K	A	-2.1605
46	G	A	-1.0039
47	L	A	0.4607
48	E	A	-0.4525
49	W	A	0.2255
50	V	A	0.0000
51	S	A	0.0000
52	S	A	0.4516
53	I	A	0.0000
54	L	A	-0.4752
55	N	A	-1.2586
56	T	A	-0.7243
57	G	A	-1.1206
58	G	A	-0.7140
59	S	A	-0.1791
60	T	A	0.3008
61	Y	A	0.7276
62	Y	A	-0.3304
63	A	A	-1.1262
64	D	A	-2.2744
65	S	A	-1.7026
66	V	A	0.0000
67	K	A	-2.4705
68	G	A	-1.7525
69	R	A	-1.3780
70	F	A	0.0000
71	T	A	-0.8566
72	I	A	0.0000
73	S	A	-0.6238
74	R	A	-1.2246
75	D	A	-1.9685
76	N	A	-2.6096
77	S	A	-1.9608
78	K	A	-2.5601
79	N	A	-1.8419
80	T	A	-1.1471
81	L	A	0.0000
82	Y	A	-0.7551
83	L	A	0.0000
84	Q	A	-1.5645
85	M	A	0.0000
86	N	A	-1.5065
87	S	A	-1.4032
88	L	A	0.0000
89	R	A	-2.9503
90	A	A	-2.0494
91	E	A	-2.4892
92	D	A	0.0000
93	T	A	-0.4793
94	A	A	0.0000
95	V	A	0.9568
96	Y	A	0.0000
97	Y	A	0.4679
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	V	A	-0.9271
102	H	A	-2.1895
103	E	A	-3.1350
104	K	A	-3.0053
105	A	A	-1.9029
106	A	A	-1.4936
107	D	A	-1.9964
108	M	A	-0.3096
109	N	A	-0.2901
110	F	A	0.4764
111	W	A	0.7743
112	G	A	0.1078
113	Q	A	-0.6144
114	G	A	0.0000
115	T	A	0.6072
116	L	A	1.6171
117	V	A	0.0000
118	T	A	0.3649
119	V	A	0.0000
120	S	A	-0.6947
121	S	A	-0.6515