Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQAGGSLRVSCAASGRTYSDYAMGWFRQAPGKERDFVAGISGSGGDTYYADSVKGRFTISRDNAKNTMYLQMNSLKPEDTAVYFCAARTGTVLFTSRVDYRYWGQGTQVTV
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                                          (00:01:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -3.7667
• Maximal score value: 2.218
• Average score: -0.7891
• Total score value: -97.8485

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	0.5111
2	A	A	-0.6418
3	Q	A	-1.5687
4	V	A	-1.4933
5	Q	A	-1.4827
6	L	A	0.0000
7	V	A	0.8383
8	E	A	0.0000
9	S	A	-0.6149
10	G	A	-0.9910
11	G	A	-0.7728
12	G	A	0.0621
13	L	A	1.2426
14	V	A	0.2930
15	Q	A	-0.9620
16	A	A	-1.2057
17	G	A	-1.2482
18	G	A	-0.7813
19	S	A	-1.1269
20	L	A	-0.8791
21	R	A	-1.9757
22	V	A	0.0000
23	S	A	-0.3933
24	C	A	0.0000
25	A	A	-0.3375
26	A	A	-0.9292
27	S	A	-1.2708
28	G	A	-1.8676
29	R	A	-2.6252
30	T	A	-1.8016
31	Y	A	0.0000
32	S	A	-1.7303
33	D	A	-2.3476
34	Y	A	0.0000
35	A	A	0.0000
36	M	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	-1.7406
41	Q	A	-2.3628
42	A	A	-2.1415
43	P	A	-1.3905
44	G	A	-1.9381
45	K	A	-3.4885
46	E	A	-3.7667
47	R	A	-3.3182
48	D	A	-3.1238
49	F	A	-1.4230
50	V	A	0.0000
51	A	A	0.0000
52	G	A	0.0000
53	I	A	0.0000
54	S	A	-0.5137
55	G	A	0.0000
56	S	A	-1.2939
57	G	A	-1.5033
58	G	A	-1.5139
59	D	A	-1.5699
60	T	A	-0.5668
61	Y	A	0.3260
62	Y	A	-0.4724
63	A	A	-1.3609
64	D	A	-2.3657
65	S	A	-1.8065
66	V	A	0.0000
67	K	A	-2.5385
68	G	A	-1.8038
69	R	A	-1.5164
70	F	A	0.0000
71	T	A	-0.7291
72	I	A	0.0000
73	S	A	-0.5115
74	R	A	-1.1493
75	D	A	-1.8441
76	N	A	-2.1857
77	A	A	-1.5799
78	K	A	-2.4651
79	N	A	-2.2726
80	T	A	-1.1789
81	M	A	0.0000
82	Y	A	-0.5774
83	L	A	0.0000
84	Q	A	-1.1425
85	M	A	0.0000
86	N	A	-1.4008
87	S	A	-1.2258
88	L	A	0.0000
89	K	A	-2.2268
90	P	A	-1.7595
91	E	A	-2.2906
92	D	A	0.0000
93	T	A	-0.7898
94	A	A	0.0000
95	V	A	-0.4977
96	Y	A	0.0000
97	F	A	0.0000
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	R	A	0.0000
102	T	A	-0.8199
103	G	A	-0.0853
104	T	A	0.3852
105	V	A	2.2180
106	L	A	2.2102
107	F	A	0.9716
108	T	A	0.6174
109	S	A	-0.0724
110	R	A	-1.3531
111	V	A	0.4300
112	D	A	-0.5184
113	Y	A	0.0000
114	R	A	-1.6836
115	Y	A	-0.9409
116	W	A	-0.2604
117	G	A	-0.2150
118	Q	A	-0.9361
119	G	A	-0.6314
120	T	A	-0.7653
121	Q	A	-0.9694
122	V	A	0.0000
123	T	A	0.0043
124	V	A	-0.3134