Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQTGGSLKLSCTASVRTLSYYHVGWFRQAPGKEREFVAGIHRSGESTFYADSVKGRFTISRDNAKNTVHLQMNSLKPEDTAVYYCAQRVRGFFGPLRSTPSWYDYWGQGTQVTVS
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                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:48)

• Minimal score value: -3.2988
• Maximal score value: 2.0756
• Average score: -0.667
• Total score value: -85.3803

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	0.8296
2	A	A	-0.0544
3	Q	A	-0.9591
4	V	A	-0.6911
5	Q	A	-0.8610
6	L	A	0.0000
7	V	A	1.1015
8	E	A	-0.0273
9	S	A	-0.6401
10	G	A	-1.0264
11	G	A	-0.8225
12	G	A	-0.0403
13	L	A	1.0094
14	V	A	-0.0213
15	Q	A	-1.2387
16	T	A	-1.4516
17	G	A	-1.3499
18	G	A	-0.8985
19	S	A	-1.1484
20	L	A	-0.8766
21	K	A	-1.8949
22	L	A	0.0000
23	S	A	-0.4998
24	C	A	0.0000
25	T	A	-0.3459
26	A	A	0.0000
27	S	A	-0.5651
28	V	A	-0.9207
29	R	A	-1.7933
30	T	A	-0.5677
31	L	A	0.0000
32	S	A	-0.5997
33	Y	A	0.5225
34	Y	A	0.1728
35	H	A	-0.0697
36	V	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	0.0000
41	Q	A	-1.8498
42	A	A	-1.8970
43	P	A	-1.3828
44	G	A	-1.9270
45	K	A	-3.2068
46	E	A	-3.2988
47	R	A	-2.3027
48	E	A	-1.5415
49	F	A	-0.7124
50	V	A	0.0000
51	A	A	0.0000
52	G	A	0.0000
53	I	A	0.0000
54	H	A	-0.8647
55	R	A	-1.1846
56	S	A	-1.3185
57	G	A	-1.8014
58	E	A	-2.2496
59	S	A	-1.1693
60	T	A	-0.4206
61	F	A	0.1057
62	Y	A	-0.7137
63	A	A	-1.4126
64	D	A	-2.3662
65	S	A	-1.8067
66	V	A	0.0000
67	K	A	-2.5379
68	G	A	-1.7917
69	R	A	-1.3707
70	F	A	0.0000
71	T	A	-0.7450
72	I	A	0.0000
73	S	A	-0.7994
74	R	A	-1.2005
75	D	A	-1.5088
76	N	A	-1.8049
77	A	A	-1.5359
78	K	A	-2.3415
79	N	A	0.0000
80	T	A	-1.0834
81	V	A	0.0000
82	H	A	-0.9350
83	L	A	0.0000
84	Q	A	-1.0992
85	M	A	0.0000
86	N	A	-1.3272
87	S	A	-1.2074
88	L	A	0.0000
89	K	A	-2.2582
90	P	A	-1.9089
91	E	A	-2.3471
92	D	A	0.0000
93	T	A	-0.9551
94	A	A	0.0000
95	V	A	-0.6251
96	Y	A	0.0000
97	Y	A	-0.1855
98	C	A	0.0000
99	A	A	0.0000
100	Q	A	0.0000
101	R	A	0.0000
102	V	A	-0.5111
103	R	A	-1.2167
104	G	A	-0.1413
105	F	A	1.5501
106	F	A	2.0756
107	G	A	0.9079
108	P	A	-0.0807
109	L	A	0.0000
110	R	A	-1.1452
111	S	A	-0.6686
112	T	A	-0.4376
113	P	A	-0.5534
114	S	A	-0.3300
115	W	A	-0.1041
116	Y	A	0.0000
117	D	A	-1.5008
118	Y	A	-0.4240
119	W	A	-0.1453
120	G	A	-0.1096
121	Q	A	-1.0448
122	G	A	-0.5877
123	T	A	0.0000
124	Q	A	-1.2195
125	V	A	0.0000
126	T	A	-0.3242
127	V	A	0.0000
128	S	A	-0.7517