Project name: query_structure

Chain sequence(s)	A: MPSPPGNLRVTDVTSTSVTLSWRHPFPTRGYRVEYREAGGEWKEVTVPLQPPTYTVTGLKPGTEYEPRVRAVNDGRNGRLLSIPSSVSVTTEIDKPSQ
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -3.609
• Maximal score value: 1.6184
• Average score: -1.0315
• Total score value: -101.0838

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	1.3961
2	P	A	0.0000
3	S	A	0.6055
4	P	A	0.1881
5	P	A	0.0000
6	G	A	-1.7962
7	N	A	-2.3483
8	L	A	-1.8039
9	R	A	-2.3921
10	V	A	-1.0024
11	T	A	-1.0164
12	D	A	-1.5328
13	V	A	-0.4959
14	T	A	-1.0122
15	S	A	-1.4147
16	T	A	-1.0393
17	S	A	-0.7898
18	V	A	0.0000
19	T	A	-0.6562
20	L	A	0.0000
21	S	A	-1.3665
22	W	A	0.0000
23	R	A	-2.3599
24	H	A	0.0000
25	P	A	0.0000
26	F	A	1.2732
27	P	A	0.1023
28	T	A	0.0000
29	R	A	-2.3986
30	G	A	-1.8144
31	Y	A	0.0000
32	R	A	-1.2851
33	V	A	0.0000
34	E	A	-1.9228
35	Y	A	0.0000
36	R	A	-2.3256
37	E	A	-2.2175
38	A	A	-1.4734
39	G	A	-1.3287
40	G	A	-1.8709
41	E	A	-2.5577
42	W	A	-2.0237
43	K	A	-2.7488
44	E	A	-2.3599
45	V	A	-0.9370
46	T	A	-0.5987
47	V	A	0.0000
48	P	A	-0.9329
49	L	A	-1.1108
50	Q	A	-1.4964
51	P	A	-1.1550
52	P	A	-0.9745
53	T	A	-0.6595
54	Y	A	0.0428
55	T	A	-0.1459
56	V	A	0.0000
57	T	A	-0.5221
58	G	A	-0.9323
59	L	A	0.0000
60	K	A	-2.4276
61	P	A	-1.9051
62	G	A	-1.3442
63	T	A	-1.6192
64	E	A	-2.6981
65	Y	A	0.0000
66	E	A	-1.3203
67	P	A	0.0000
68	R	A	-1.0050
69	V	A	0.0000
70	R	A	-0.4225
71	A	A	0.0000
72	V	A	0.0000
73	N	A	-1.9605
74	D	A	-3.6090
75	G	A	-2.6011
76	R	A	-3.1953
77	N	A	-2.8931
78	G	A	-2.6990
79	R	A	-3.1560
80	L	A	-1.0679
81	L	A	0.2046
82	S	A	0.0000
83	I	A	1.6184
84	P	A	0.2805
85	S	A	-0.3459
86	S	A	-0.4938
87	V	A	-0.4113
88	S	A	-0.8563
89	V	A	0.0000
90	T	A	-1.2011
91	T	A	0.0000
92	E	A	-1.6694
93	I	A	-0.7080
94	D	A	-2.5399
95	K	A	-2.6760
96	P	A	-1.7559
97	S	A	-1.7027
98	Q	A	-1.6923