Project name: query_structure

Chain sequence(s)	A: MGEVQLVESGGGSVQAGGSLRLSCAASGVSNTDMIMIWFRQAPGKEREGVLAAIYKNSTYYADSVKGRFTISQDNAKNTVYLQMNSLKPEDTAIYYCAAISAVIGRHIRPHIYWGQGTQVTVGGGS
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -3.4539
• Maximal score value: 2.3754
• Average score: -0.6841
• Total score value: -86.1966

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	0.4758
2	G	A	-0.9921
3	E	A	-1.9636
4	V	A	-0.8633
5	Q	A	-0.9192
6	L	A	0.0000
7	V	A	1.3009
8	E	A	0.0000
9	S	A	-0.5766
10	G	A	-1.2450
11	G	A	-1.1802
12	G	A	-0.9455
13	S	A	-0.7429
14	V	A	-0.8739
15	Q	A	-1.8575
16	A	A	-1.9239
17	G	A	-1.4250
18	G	A	-1.0553
19	S	A	-1.1805
20	L	A	-1.1272
21	R	A	-2.1759
22	L	A	0.0000
23	S	A	-0.4101
24	C	A	0.0000
25	A	A	-0.0350
26	A	A	0.0000
27	S	A	-0.6262
28	G	A	-0.7772
29	V	A	-0.1092
30	S	A	-0.7155
31	N	A	0.0000
32	T	A	-1.4002
33	D	A	-0.9364
34	M	A	0.0000
35	I	A	0.4007
36	M	A	0.0000
37	I	A	0.0000
38	W	A	0.0000
39	F	A	0.1669
40	R	A	0.0000
41	Q	A	-1.7273
42	A	A	-1.8370
43	P	A	-1.5951
44	G	A	-1.9713
45	K	A	-3.2571
46	E	A	-3.4539
47	R	A	-2.5967
48	E	A	-1.6347
49	G	A	-0.7301
50	V	A	0.5153
51	L	A	0.0000
52	A	A	0.0000
53	A	A	0.8251
54	I	A	0.0000
55	Y	A	-0.5397
56	K	A	-2.1579
57	N	A	-2.0425
58	S	A	-0.8410
59	T	A	0.1111
60	Y	A	0.9758
61	Y	A	-0.1713
62	A	A	-0.9961
63	D	A	-2.3476
64	S	A	-1.8299
65	V	A	0.0000
66	K	A	-2.4830
67	G	A	-1.7974
68	R	A	-1.5099
69	F	A	0.0000
70	T	A	-0.7517
71	I	A	0.0000
72	S	A	-0.7169
73	Q	A	-1.5914
74	D	A	-2.0522
75	N	A	-2.3477
76	A	A	-1.7424
77	K	A	-2.4856
78	N	A	-1.7907
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	0.0000
82	L	A	0.0000
83	Q	A	-1.2812
84	M	A	0.0000
85	N	A	-1.3911
86	S	A	-1.1836
87	L	A	0.0000
88	K	A	-2.4361
89	P	A	-2.0627
90	E	A	-2.4102
91	D	A	0.0000
92	T	A	-1.1172
93	A	A	0.0000
94	I	A	-0.4391
95	Y	A	0.0000
96	Y	A	0.0000
97	C	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	I	A	0.7739
101	S	A	0.6283
102	A	A	1.1292
103	V	A	2.3754
104	I	A	2.0605
105	G	A	0.2675
106	R	A	-1.4859
107	H	A	-1.0031
108	I	A	0.6412
109	R	A	-1.2578
110	P	A	-0.2319
111	H	A	-0.6752
112	I	A	0.4197
113	Y	A	0.4667
114	W	A	0.8391
115	G	A	0.1816
116	Q	A	-0.7409
117	G	A	-0.4236
118	T	A	0.0000
119	Q	A	-1.2733
120	V	A	0.0000
121	T	A	-1.0366
122	V	A	0.0000
123	G	A	-1.5114
124	G	A	-1.6213
125	G	A	-1.3926
126	S	A	-0.7210