Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQHGGSLRLSCVTSGFTFDIHDMGWFRQAPGKERDIVARISKSGDITYYADSVKGRFIISRDNTKNTVYLQMNSLKPEDTAVYYCAATLRATITSFDEYVYRGQGTQVTVS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:31)

• Minimal score value: -3.7873
• Maximal score value: 1.0157
• Average score: -0.7273
• Total score value: -90.1907

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	0.9279
2	A	A	0.0993
3	Q	A	-0.6967
4	V	A	-0.0792
5	Q	A	-0.5060
6	L	A	0.0000
7	V	A	0.8712
8	E	A	0.0703
9	S	A	-0.4409
10	G	A	-1.0120
11	G	A	-0.8120
12	G	A	-0.0770
13	L	A	0.8386
14	V	A	0.0000
15	Q	A	-1.7489
16	H	A	-2.3266
17	G	A	-1.7488
18	G	A	-1.1721
19	S	A	-1.2876
20	L	A	-1.0076
21	R	A	-1.9454
22	L	A	0.0000
23	S	A	-0.2266
24	C	A	0.0000
25	V	A	0.7470
26	T	A	0.0000
27	S	A	-0.1682
28	G	A	0.0012
29	F	A	0.1506
30	T	A	-0.2267
31	F	A	0.0000
32	D	A	-1.5361
33	I	A	0.1014
34	H	A	0.0000
35	D	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	-1.7245
41	Q	A	-2.3031
42	A	A	-2.1031
43	P	A	-1.5596
44	G	A	-1.9334
45	K	A	-3.4636
46	E	A	-3.7873
47	R	A	-3.3916
48	D	A	-3.0455
49	I	A	0.0000
50	V	A	0.0000
51	A	A	0.0000
52	R	A	0.0000
53	I	A	0.0000
54	S	A	-0.3435
55	K	A	-1.1221
56	S	A	-1.0727
57	G	A	-1.1662
58	D	A	-1.0842
59	I	A	1.0157
60	T	A	0.8904
61	Y	A	0.6933
62	Y	A	-0.5384
63	A	A	0.0000
64	D	A	-2.4432
65	S	A	-1.8486
66	V	A	0.0000
67	K	A	-2.4110
68	G	A	-1.5636
69	R	A	-1.0367
70	F	A	0.0000
71	I	A	0.3071
72	I	A	0.0000
73	S	A	-0.2573
74	R	A	-1.3118
75	D	A	-1.7541
76	N	A	-2.4312
77	T	A	-1.8900
78	K	A	-2.3388
79	N	A	-2.0089
80	T	A	-0.7667
81	V	A	0.0000
82	Y	A	-0.2354
83	L	A	0.0000
84	Q	A	-0.7488
85	M	A	0.0000
86	N	A	-1.1304
87	S	A	-1.2609
88	L	A	0.0000
89	K	A	-2.3037
90	P	A	-2.0271
91	E	A	-2.3764
92	D	A	0.0000
93	T	A	-0.8936
94	A	A	0.0000
95	V	A	-0.4908
96	Y	A	0.0000
97	Y	A	0.0000
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	T	A	0.0000
102	L	A	0.6407
103	R	A	-1.0616
104	A	A	-0.3692
105	T	A	-0.2288
106	I	A	-0.7385
107	T	A	-0.7630
108	S	A	-1.5894
109	F	A	-1.8473
110	D	A	-2.5537
111	E	A	-2.3249
112	Y	A	0.0000
113	V	A	0.6043
114	Y	A	-0.0095
115	R	A	-1.8026
116	G	A	0.0000
117	Q	A	-1.4298
118	G	A	-0.9974
119	T	A	-0.8088
120	Q	A	-1.0285
121	V	A	0.0000
122	T	A	-0.3848
123	V	A	0.0000
124	S	A	-1.0257