Project name: query_structure

Chain sequence(s)	A: MAQVQLLESGGGLVQPGGSLRLSCAASGVRVNYKSMSWVRQAPGKGLEWVSTITSRNGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCATGRAHHAPVRYWGQGTLVTVSS
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.                                          (00:01:06)

• Minimal score value: -3.0665
• Maximal score value: 1.5999
• Average score: -0.6948
• Total score value: -84.0719

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	0.8466
2	A	A	-0.0274
3	Q	A	-0.9479
4	V	A	-0.7198
5	Q	A	-0.5527
6	L	A	0.0000
7	L	A	0.6082
8	E	A	0.1088
9	S	A	-0.4085
10	G	A	-0.6561
11	G	A	0.1143
12	G	A	0.7080
13	L	A	1.4252
14	V	A	-0.0821
15	Q	A	-1.4118
16	P	A	-1.7743
17	G	A	-1.5363
18	G	A	-1.0204
19	S	A	-1.2998
20	L	A	-0.9031
21	R	A	-2.1227
22	L	A	0.0000
23	S	A	-0.4983
24	C	A	0.0000
25	A	A	-0.2060
26	A	A	0.0000
27	S	A	-0.5811
28	G	A	-0.5850
29	V	A	-0.7987
30	R	A	-2.5526
31	V	A	0.0000
32	N	A	-2.6147
33	Y	A	0.0000
34	K	A	-2.5465
35	S	A	-1.4427
36	M	A	0.0000
37	S	A	0.4655
38	W	A	0.0000
39	V	A	0.0000
40	R	A	0.0000
41	Q	A	-0.1880
42	A	A	-0.8602
43	P	A	-1.2471
44	G	A	-1.3266
45	K	A	-1.8271
46	G	A	-0.6992
47	L	A	0.8437
48	E	A	0.3333
49	W	A	0.5486
50	V	A	0.0000
51	S	A	0.0000
52	T	A	0.3881
53	I	A	0.0000
54	T	A	-1.4177
55	S	A	-2.3378
56	R	A	-3.0665
57	N	A	-2.4775
58	G	A	-1.5479
59	S	A	-0.7681
60	T	A	0.2165
61	Y	A	0.6332
62	Y	A	-0.3176
63	A	A	-1.0185
64	D	A	-2.2718
65	S	A	-1.7314
66	V	A	0.0000
67	K	A	-2.4698
68	G	A	-1.7746
69	R	A	-1.3522
70	F	A	0.0000
71	T	A	-0.7313
72	I	A	0.0000
73	S	A	-0.5612
74	R	A	-1.2109
75	D	A	-1.9216
76	N	A	-2.8672
77	S	A	-2.1660
78	K	A	-2.7534
79	N	A	-2.3838
80	T	A	-1.3425
81	L	A	0.0000
82	Y	A	-0.6287
83	L	A	0.0000
84	Q	A	-1.2256
85	M	A	0.0000
86	N	A	-1.4999
87	S	A	-1.4230
88	L	A	0.0000
89	R	A	-2.9203
90	A	A	-2.0458
91	E	A	-2.4884
92	D	A	0.0000
93	T	A	-0.4793
94	A	A	0.0000
95	V	A	0.9399
96	Y	A	0.0000
97	Y	A	0.4784
98	C	A	0.0000
99	A	A	0.0000
100	T	A	0.0000
101	G	A	0.0000
102	R	A	-2.0347
103	A	A	-1.6445
104	H	A	-2.1274
105	H	A	-1.6261
106	A	A	-1.2427
107	P	A	-0.7095
108	V	A	-0.0215
109	R	A	-1.1912
110	Y	A	-0.2851
111	W	A	0.3036
112	G	A	-0.0770
113	Q	A	-0.7232
114	G	A	-0.0069
115	T	A	0.5481
116	L	A	1.5999
117	V	A	0.0000
118	T	A	0.3539
119	V	A	0.0000
120	S	A	-0.7357
121	S	A	-0.4732