Project name: query_structure

Chain sequence(s)	A: MAQVQLLESGGGLVQPGGSLRLSCAASGYSVINDFMTWVRQAPGKGLEWVSSISVADGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAARVGGRDLGWPYELDYWGQGTLVTVSS
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.9354
• Maximal score value: 1.6
• Average score: -0.5203
• Total score value: -65.5556

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	0.8140
2	A	A	-0.1090
3	Q	A	-1.0258
4	V	A	-0.5789
5	Q	A	-0.6806
6	L	A	0.0000
7	L	A	0.4500
8	E	A	0.0000
9	S	A	-0.3793
10	G	A	-0.6373
11	G	A	0.1298
12	G	A	0.7068
13	L	A	1.4397
14	V	A	-0.0871
15	Q	A	-1.4090
16	P	A	-1.7802
17	G	A	-1.5309
18	G	A	-1.0039
19	S	A	-1.2865
20	L	A	-0.9026
21	R	A	-2.1250
22	L	A	0.0000
23	S	A	-0.5001
24	C	A	0.0000
25	A	A	-0.2903
26	A	A	0.0000
27	S	A	-0.4689
28	G	A	-0.4160
29	Y	A	0.0778
30	S	A	-0.1311
31	V	A	0.0000
32	I	A	0.9110
33	N	A	-0.4359
34	D	A	-0.4560
35	F	A	0.2603
36	M	A	0.0000
37	T	A	0.0000
38	W	A	0.0000
39	V	A	0.0000
40	R	A	0.0000
41	Q	A	-0.2490
42	A	A	-0.9450
43	P	A	-1.3204
44	G	A	-1.4284
45	K	A	-2.0416
46	G	A	-0.8059
47	L	A	0.7836
48	E	A	0.2936
49	W	A	0.5625
50	V	A	0.0000
51	S	A	0.0000
52	S	A	0.0000
53	I	A	0.0000
54	S	A	0.0000
55	V	A	-0.1141
56	A	A	-0.6520
57	D	A	-1.8120
58	G	A	-1.0072
59	S	A	-0.5097
60	T	A	0.1617
61	Y	A	0.4525
62	Y	A	-0.3978
63	A	A	-1.0590
64	D	A	-2.2849
65	S	A	-1.7117
66	V	A	0.0000
67	K	A	-2.4938
68	G	A	-1.7721
69	R	A	-1.3498
70	F	A	0.0000
71	T	A	-0.7556
72	I	A	0.0000
73	S	A	-0.5292
74	R	A	-1.0786
75	D	A	-1.8285
76	N	A	-1.8163
77	S	A	-1.8493
78	K	A	-2.5083
79	N	A	-1.5722
80	T	A	-1.1579
81	L	A	0.0000
82	Y	A	-0.6038
83	L	A	0.0000
84	Q	A	-1.2322
85	M	A	0.0000
86	N	A	-1.4925
87	S	A	-1.4123
88	L	A	0.0000
89	R	A	-2.9354
90	A	A	-2.0608
91	E	A	-2.4862
92	D	A	0.0000
93	T	A	-0.4962
94	A	A	0.0000
95	V	A	0.8906
96	Y	A	0.0000
97	Y	A	0.5078
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	R	A	-0.7789
102	V	A	-0.5639
103	G	A	-1.1827
104	G	A	-1.8747
105	R	A	-2.7463
106	D	A	-2.0957
107	L	A	0.1735
108	G	A	0.1837
109	W	A	1.1388
110	P	A	0.7150
111	Y	A	0.3795
112	E	A	-1.3632
113	L	A	-0.7983
114	D	A	-1.2557
115	Y	A	-0.3024
116	W	A	0.1894
117	G	A	-0.0866
118	Q	A	-0.7303
119	G	A	0.0130
120	T	A	0.5585
121	L	A	1.6000
122	V	A	0.0000
123	T	A	0.3383
124	V	A	0.0000
125	S	A	-0.6925
126	S	A	-0.8117