Project name: query_structure

Chain sequence(s)	A: MGEVQLVESGGGSVQAGGSLRLSCAASGMITPATLVIWFRQAPGKEREGVLAAIYKNSTYYADSVKGRFTISQDNAKNTVYLQMNSLKPEDTAIYYCAAIRAVIGRHIRPHIYWGQGTQVTVGGGS
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                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: -3.8293
• Maximal score value: 2.5561
• Average score: -0.6672
• Total score value: -84.0614

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	0.5164
2	G	A	-0.8370
3	E	A	-1.7197
4	V	A	-0.1596
5	Q	A	-0.6521
6	L	A	0.0000
7	V	A	1.1186
8	E	A	0.0000
9	S	A	-0.5905
10	G	A	-1.2108
11	G	A	-1.1233
12	G	A	-0.9204
13	S	A	-0.7411
14	V	A	-0.8863
15	Q	A	-1.8533
16	A	A	-1.9290
17	G	A	-1.4401
18	G	A	-1.0801
19	S	A	-1.2028
20	L	A	-1.1051
21	R	A	-2.0467
22	L	A	0.0000
23	S	A	-0.3609
24	C	A	0.0000
25	A	A	-0.0218
26	A	A	0.0771
27	S	A	-0.4683
28	G	A	-0.2453
29	M	A	0.7534
30	I	A	0.0000
31	T	A	-0.3853
32	P	A	-1.0704
33	A	A	-0.2129
34	T	A	0.0000
35	L	A	0.3881
36	V	A	0.0000
37	I	A	0.0000
38	W	A	0.0000
39	F	A	-0.2308
40	R	A	-1.0082
41	Q	A	-2.0309
42	A	A	-2.0375
43	P	A	-1.7024
44	G	A	-2.1079
45	K	A	-3.5226
46	E	A	-3.8293
47	R	A	-3.7860
48	E	A	-2.3804
49	G	A	-1.0157
50	V	A	0.1911
51	L	A	0.0000
52	A	A	0.0000
53	A	A	0.7905
54	I	A	0.0000
55	Y	A	-0.3525
56	K	A	-2.0754
57	N	A	-2.0891
58	S	A	-0.8859
59	T	A	0.0979
60	Y	A	0.9637
61	Y	A	-0.1986
62	A	A	-0.9847
63	D	A	-2.2992
64	S	A	-1.7707
65	V	A	0.0000
66	K	A	-2.4462
67	G	A	-1.7890
68	R	A	-1.4027
69	F	A	0.0000
70	T	A	-0.7109
71	I	A	0.0000
72	S	A	-0.5662
73	Q	A	-1.3978
74	D	A	-1.8285
75	N	A	-1.9688
76	A	A	-1.6047
77	K	A	-2.4182
78	N	A	-1.5775
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	-0.6201
82	L	A	0.0000
83	Q	A	-1.2132
84	M	A	0.0000
85	N	A	-1.4827
86	S	A	-1.2257
87	L	A	0.0000
88	K	A	-2.3953
89	P	A	-2.0583
90	E	A	-2.3901
91	D	A	0.0000
92	T	A	-1.1722
93	A	A	0.0000
94	I	A	-0.4002
95	Y	A	0.0000
96	Y	A	0.1004
97	C	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	I	A	0.5967
101	R	A	0.6493
102	A	A	1.2513
103	V	A	2.1506
104	I	A	2.5561
105	G	A	0.2551
106	R	A	-1.5585
107	H	A	-0.9054
108	I	A	0.7550
109	R	A	-1.2546
110	P	A	-0.4301
111	H	A	-0.3617
112	I	A	0.7577
113	Y	A	0.7304
114	W	A	1.1438
115	G	A	0.2788
116	Q	A	-0.7890
117	G	A	0.0000
118	T	A	0.0000
119	Q	A	-1.3786
120	V	A	0.0000
121	T	A	-1.0244
122	V	A	0.0000
123	G	A	-1.5042
124	G	A	-1.6201
125	G	A	-1.3925
126	S	A	-0.7254