Project name: query_structure

Chain sequence(s)	A: MGEVQLVESGGGSVQAGGSLRLSCAASGVSNTDMIMIWFRQAPGKEREGVLAAIYKNSTYYADSVKGRFTISQDNAKNTVYLQMNSLKPEDTAIYYCAAIRAVIGRHIRPHIYWGQGTQVTVGGGS
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -3.8398
• Maximal score value: 1.6525
• Average score: -0.7823
• Total score value: -98.575

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	0.4276
2	G	A	-1.0443
3	E	A	-2.0110
4	V	A	-1.0420
5	Q	A	-0.9674
6	L	A	0.0000
7	V	A	1.3203
8	E	A	0.0000
9	S	A	-0.5784
10	G	A	-1.2542
11	G	A	-1.1691
12	G	A	-0.9348
13	S	A	-0.7150
14	V	A	-0.8099
15	Q	A	-1.8182
16	A	A	-1.9030
17	G	A	-1.4407
18	G	A	-1.0952
19	S	A	-1.2200
20	L	A	-1.1565
21	R	A	-2.1862
22	L	A	0.0000
23	S	A	-0.4267
24	C	A	0.0000
25	A	A	-0.0561
26	A	A	0.0000
27	S	A	-0.9205
28	G	A	-0.9624
29	V	A	-0.7496
30	S	A	-0.9681
31	N	A	0.0000
32	T	A	-1.5569
33	D	A	-1.5266
34	M	A	0.0000
35	I	A	0.0316
36	M	A	0.0000
37	I	A	0.0000
38	W	A	0.0000
39	F	A	-0.0499
40	R	A	-1.1213
41	Q	A	-2.1553
42	A	A	0.0000
43	P	A	-1.6817
44	G	A	-2.0231
45	K	A	-3.4021
46	E	A	-3.8398
47	R	A	-3.4357
48	E	A	-2.1612
49	G	A	-1.0594
50	V	A	0.3403
51	L	A	0.0000
52	A	A	0.0000
53	A	A	0.7879
54	I	A	0.0000
55	Y	A	-0.5135
56	K	A	-1.8123
57	N	A	-1.8807
58	S	A	-0.7456
59	T	A	0.1619
60	Y	A	0.9750
61	Y	A	-0.1722
62	A	A	-1.0029
63	D	A	-2.3487
64	S	A	-1.8303
65	V	A	0.0000
66	K	A	-2.4809
67	G	A	-1.8106
68	R	A	-1.4260
69	F	A	0.0000
70	T	A	-0.7552
71	I	A	0.0000
72	S	A	-0.7876
73	Q	A	-1.6864
74	D	A	-2.0924
75	N	A	-2.3703
76	A	A	-1.7515
77	K	A	-2.5059
78	N	A	-1.8920
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	0.0000
82	L	A	0.0000
83	Q	A	-1.2727
84	M	A	0.0000
85	N	A	-1.4917
86	S	A	-1.2419
87	L	A	0.0000
88	K	A	-2.3371
89	P	A	-2.0050
90	E	A	-2.3786
91	D	A	0.0000
92	T	A	-1.1106
93	A	A	0.0000
94	I	A	-0.5261
95	Y	A	0.0000
96	Y	A	0.0515
97	C	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	I	A	-0.0076
101	R	A	-0.7994
102	A	A	0.1910
103	V	A	0.8296
104	I	A	1.6525
105	G	A	-0.0056
106	R	A	-1.6804
107	H	A	-1.1183
108	I	A	-0.0232
109	R	A	-1.6004
110	P	A	-0.9295
111	H	A	-0.8342
112	I	A	0.2016
113	Y	A	0.3341
114	W	A	0.8963
115	G	A	0.3122
116	Q	A	-0.6828
117	G	A	-0.3467
118	T	A	0.0000
119	Q	A	-1.2534
120	V	A	0.0000
121	T	A	-0.9958
122	V	A	0.0000
123	G	A	-1.4652
124	G	A	-1.5875
125	G	A	-1.3683
126	S	A	-0.7191