Project name: query_structure

Chain sequence(s)	A: MGEVQLVESGGGSVQAGGSLRLSCAASGVSNTDMIMIWFRQAPGKEREGVLAAIYKNSTYYADSVKGRFTISQDNAKNTVYLQMNSLKPEDTAIYYCAAIAFNGHNHPILTIYWGQGTQVTVGGGS
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -3.3438
• Maximal score value: 2.5151
• Average score: -0.683
• Total score value: -86.0562

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	0.4679
2	G	A	-0.9712
3	E	A	-1.9690
4	V	A	-0.8636
5	Q	A	-0.9614
6	L	A	0.0000
7	V	A	1.2389
8	E	A	0.1983
9	S	A	-0.6547
10	G	A	-1.2808
11	G	A	-1.1967
12	G	A	-0.9432
13	S	A	-0.7341
14	V	A	-0.8473
15	Q	A	-1.8343
16	A	A	-1.8997
17	G	A	-1.4035
18	G	A	-1.0383
19	S	A	-1.1742
20	L	A	-1.1443
21	R	A	-2.1848
22	L	A	0.0000
23	S	A	-0.4689
24	C	A	0.0000
25	A	A	-0.0666
26	A	A	0.0000
27	S	A	-0.7883
28	G	A	-0.8434
29	V	A	-0.4047
30	S	A	-0.9654
31	N	A	0.0000
32	T	A	-1.6792
33	D	A	-1.5997
34	M	A	0.0000
35	I	A	0.3047
36	M	A	0.0000
37	I	A	0.0000
38	W	A	0.0000
39	F	A	0.1344
40	R	A	-0.8573
41	Q	A	-1.6926
42	A	A	-1.8269
43	P	A	-1.5679
44	G	A	-1.9341
45	K	A	-3.2031
46	E	A	-3.3438
47	R	A	-2.3600
48	E	A	-1.7014
49	G	A	-0.7894
50	V	A	0.4431
51	L	A	0.0000
52	A	A	0.0000
53	A	A	0.7899
54	I	A	0.0000
55	Y	A	-0.7457
56	K	A	-2.3002
57	N	A	-2.0665
58	S	A	-0.8667
59	T	A	0.1260
60	Y	A	1.0559
61	Y	A	-0.1292
62	A	A	-0.9894
63	D	A	-2.3355
64	S	A	-1.8201
65	V	A	0.0000
66	K	A	-2.4600
67	G	A	-1.7779
68	R	A	-1.4699
69	F	A	0.0000
70	T	A	-0.7326
71	I	A	0.0000
72	S	A	-0.7002
73	Q	A	-1.5616
74	D	A	-1.9410
75	N	A	-2.2957
76	A	A	-1.7105
77	K	A	-2.4478
78	N	A	-1.7842
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	0.0000
82	L	A	0.0000
83	Q	A	-1.2760
84	M	A	0.0000
85	N	A	-1.3724
86	S	A	-1.1530
87	L	A	0.0000
88	K	A	-2.3711
89	P	A	-2.0362
90	E	A	-2.3921
91	D	A	0.0000
92	T	A	-1.1281
93	A	A	0.0000
94	I	A	-0.3999
95	Y	A	0.0000
96	Y	A	0.0909
97	C	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	I	A	1.5758
101	A	A	1.0812
102	F	A	0.9999
103	N	A	-0.5523
104	G	A	-1.4129
105	H	A	-1.9834
106	N	A	-2.3265
107	H	A	-1.4603
108	P	A	-0.1593
109	I	A	1.7879
110	L	A	2.5151
111	T	A	2.0128
112	I	A	2.5025
113	Y	A	1.2275
114	W	A	1.1863
115	G	A	0.2177
116	Q	A	-0.7246
117	G	A	-0.4232
118	T	A	0.0000
119	Q	A	-1.2801
120	V	A	0.0000
121	T	A	-1.0192
122	V	A	0.0000
123	G	A	-1.4981
124	G	A	-1.6087
125	G	A	-1.3842
126	S	A	-0.7228