Project name: query_structure

Chain sequence(s)	A: MSEETATSDNDNSYARVRAVVMTRDDSSGGWLPLGGSGLSSVTVFKVPHQEENGCADFFIRGERLRDKMVVLECMLKKDLIYNKVTPTFHHWKIDDKKFGLRFQSPADARAFDRGIRRAIEDISQGC
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:18)

• Minimal score value: -3.9077
• Maximal score value: 0.7932
• Average score: -1.2041
• Total score value: -152.9171

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	0.2323
2	S	A	-1.0427
3	E	A	-2.5597
4	E	A	-2.7051
5	T	A	-1.6177
6	A	A	-1.0924
7	T	A	-1.2456
8	S	A	-2.0362
9	D	A	-3.0731
10	N	A	-3.2927
11	D	A	-3.1249
12	N	A	-2.0148
13	S	A	-1.6928
14	Y	A	-1.5409
15	A	A	0.0000
16	R	A	-2.1434
17	V	A	0.0000
18	R	A	-2.1258
19	A	A	0.0000
20	V	A	0.0000
21	V	A	0.0000
22	M	A	0.0000
23	T	A	-0.6747
24	R	A	-1.6959
25	D	A	-1.7672
26	D	A	-2.5619
27	S	A	-1.5766
28	S	A	-1.2253
29	G	A	-1.4313
30	G	A	-0.8598
31	W	A	-0.3568
32	L	A	0.4829
33	P	A	0.0943
34	L	A	0.2902
35	G	A	0.1142
36	G	A	-0.2522
37	S	A	-0.2123
38	G	A	-0.6581
39	L	A	-0.7384
40	S	A	0.0000
41	S	A	-1.3789
42	V	A	0.0000
43	T	A	0.0000
44	V	A	0.0000
45	F	A	0.0000
46	K	A	-0.5668
47	V	A	-0.0116
48	P	A	-1.1642
49	H	A	-2.3626
50	Q	A	-2.9405
51	E	A	-3.9077
52	E	A	-3.6946
53	N	A	-2.8991
54	G	A	-2.0897
55	C	A	-0.7077
56	A	A	-0.6844
57	D	A	-0.4530
58	F	A	0.0000
59	F	A	-0.3196
60	I	A	0.0000
61	R	A	-1.4666
62	G	A	0.0000
63	E	A	-1.4902
64	R	A	-1.6034
65	L	A	-1.6255
66	R	A	-2.9016
67	D	A	-3.0089
68	K	A	-2.5626
69	M	A	-0.7040
70	V	A	0.1355
71	V	A	-0.0746
72	L	A	0.0000
73	E	A	-1.7193
74	C	A	-1.0296
75	M	A	-0.2825
76	L	A	0.0000
77	K	A	-2.3534
78	K	A	-3.0572
79	D	A	-2.8282
80	L	A	-1.2984
81	I	A	0.0407
82	Y	A	-0.1552
83	N	A	-0.5233
84	K	A	-1.0747
85	V	A	0.7932
86	T	A	0.0048
87	P	A	-0.8861
88	T	A	-1.0783
89	F	A	-0.5661
90	H	A	0.0000
91	H	A	-0.5088
92	W	A	0.0000
93	K	A	-2.0660
94	I	A	0.0000
95	D	A	-3.5645
96	D	A	-3.7513
97	K	A	-3.6244
98	K	A	-2.5421
99	F	A	0.0000
100	G	A	0.0000
101	L	A	0.0000
102	R	A	-1.7010
103	F	A	0.0000
104	Q	A	-1.8709
105	S	A	-1.4531
106	P	A	-1.2343
107	A	A	-1.1055
108	D	A	-2.1722
109	A	A	0.0000
110	R	A	-2.4512
111	A	A	-1.8224
112	F	A	0.0000
113	D	A	0.0000
114	R	A	-2.9570
115	G	A	0.0000
116	I	A	0.0000
117	R	A	-3.3451
118	R	A	-3.2483
119	A	A	0.0000
120	I	A	-2.9103
121	E	A	-3.4280
122	D	A	-2.3818
123	I	A	-1.8133
124	S	A	-1.9525
125	Q	A	-1.6992
126	G	A	-0.8637
127	C	A	0.1501