Project name: query_structure

Chain sequence(s)	A: MADVQLVESGGGLVQAGDSLRLSCAASGPTGAMAWFHQGLGKEREFVGGISPSGDNIYYADSVKGRFTIDRDNAKNTVSLQMNSLKPEDMGVYYCAARRRVTLFTSRTDYEFWGRGTQVTVS
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -3.4276
• Maximal score value: 1.7558
• Average score: -0.8427
• Total score value: -102.8056

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	0.6619
2	A	A	-0.4213
3	D	A	-2.1524
4	V	A	-1.4745
5	Q	A	-1.2803
6	L	A	0.0000
7	V	A	1.0116
8	E	A	0.0000
9	S	A	-0.4830
10	G	A	-1.0569
11	G	A	-0.8405
12	G	A	-0.0570
13	L	A	1.0674
14	V	A	-0.1338
15	Q	A	-1.4418
16	A	A	-1.6087
17	G	A	-1.6626
18	D	A	-1.7281
19	S	A	-1.5764
20	L	A	-1.2464
21	R	A	-2.1729
22	L	A	0.0000
23	S	A	-0.6822
24	C	A	0.0000
25	A	A	-0.1751
26	A	A	-0.5977
27	S	A	-0.8807
28	G	A	-1.1918
29	P	A	-1.1492
30	T	A	0.0000
31	G	A	0.0000
32	A	A	0.0000
33	M	A	0.0000
34	A	A	0.0000
35	W	A	0.0000
36	F	A	0.0000
37	H	A	-1.3709
38	Q	A	-1.7656
39	G	A	-1.3111
40	L	A	0.2819
41	G	A	-1.1080
42	K	A	-2.8780
43	E	A	-3.4276
44	R	A	-2.9266
45	E	A	-2.9431
46	F	A	0.0000
47	V	A	0.0000
48	G	A	0.0000
49	G	A	0.0000
50	I	A	0.0000
51	S	A	0.0994
52	P	A	-0.5641
53	S	A	-1.0263
54	G	A	-1.9152
55	D	A	-2.3666
56	N	A	-0.9370
57	I	A	0.2550
58	Y	A	1.0037
59	Y	A	-0.1552
60	A	A	-1.3331
61	D	A	-2.3500
62	S	A	-1.6537
63	V	A	0.0000
64	K	A	-2.5124
65	G	A	-1.8106
66	R	A	-1.4210
67	F	A	0.0000
68	T	A	-1.0721
69	I	A	0.0000
70	D	A	-2.3607
71	R	A	-2.2870
72	D	A	-2.4536
73	N	A	-2.6496
74	A	A	-1.8045
75	K	A	-2.6114
76	N	A	-2.1167
77	T	A	-1.5242
78	V	A	0.0000
79	S	A	0.0000
80	L	A	0.0000
81	Q	A	-1.5581
82	M	A	0.0000
83	N	A	-1.5843
84	S	A	-1.4686
85	L	A	0.0000
86	K	A	-2.4305
87	P	A	-1.8714
88	E	A	-2.0889
89	D	A	0.0000
90	M	A	-0.4506
91	G	A	-0.4237
92	V	A	-0.2010
93	Y	A	0.0000
94	Y	A	-0.3836
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	R	A	-3.2105
100	R	A	-1.9001
101	V	A	0.8238
102	T	A	0.8140
103	L	A	1.7558
104	F	A	0.7426
105	T	A	-0.0737
106	S	A	-1.1321
107	R	A	-2.2244
108	T	A	-2.0140
109	D	A	-2.9618
110	Y	A	0.0000
111	E	A	-2.9752
112	F	A	0.0000
113	W	A	-0.2543
114	G	A	-0.3607
115	R	A	-1.4211
116	G	A	0.0000
117	T	A	0.0000
118	Q	A	-0.9815
119	V	A	0.0000
120	T	A	-0.1914
121	V	A	0.0000
122	S	A	-0.4920