Project name: query_structure

Chain sequence(s)	A: LRKEPEIITVTLKKQNGMGLCIVAAKGAGQDKLGIYVKSVVKGGAADVDGRLAAGDQLLSVDGQSLVGLSQERAAELMTRTSSVVTLEVAKQGAIYHGLAT
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -3.4978
• Maximal score value: 0.6267
• Average score: -0.8793
• Total score value: -88.8106

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	L	A	0.0133
2	R	A	-2.7120
3	K	A	-3.1361
4	E	A	-3.1286
5	P	A	-2.0731
6	E	A	-2.2613
7	I	A	-0.0618
8	I	A	0.0979
9	T	A	-0.1047
10	V	A	0.0000
11	T	A	-0.8628
12	L	A	0.0000
13	K	A	-2.0148
14	K	A	-2.0204
15	Q	A	-2.3846
16	N	A	-2.2259
17	G	A	-1.4761
18	M	A	0.0000
19	G	A	-0.2212
20	L	A	0.2813
21	C	A	0.4264
22	I	A	-0.2407
23	V	A	-0.2020
24	A	A	-0.8900
25	A	A	-0.7190
26	K	A	-2.1914
27	G	A	0.0000
28	A	A	-0.8672
29	G	A	-1.5058
30	Q	A	-2.2225
31	D	A	-3.0131
32	K	A	-2.6699
33	L	A	-1.2293
34	G	A	0.0000
35	I	A	0.0000
36	Y	A	0.0000
37	V	A	0.0000
38	K	A	-1.1947
39	S	A	-0.4911
40	V	A	0.1462
41	V	A	0.2528
42	K	A	-1.2093
43	G	A	-0.7773
44	G	A	-0.7882
45	A	A	0.0000
46	A	A	0.0000
47	D	A	-0.5073
48	V	A	0.4562
49	D	A	-0.8177
50	G	A	-0.9816
51	R	A	-1.5482
52	L	A	0.0000
53	A	A	-0.7353
54	A	A	-0.6525
55	G	A	-0.5619
56	D	A	0.0000
57	Q	A	0.0000
58	L	A	0.0000
59	L	A	0.0279
60	S	A	-0.9566
61	V	A	0.0000
62	D	A	-2.0543
63	G	A	-1.7867
64	Q	A	-1.6102
65	S	A	-0.7523
66	L	A	0.0000
67	V	A	0.2512
68	G	A	-1.0014
69	L	A	-0.8339
70	S	A	-1.6520
71	Q	A	-2.1267
72	E	A	-3.3778
73	R	A	-3.4978
74	A	A	0.0000
75	A	A	-2.2888
76	E	A	-3.3998
77	L	A	-2.2345
78	M	A	0.0000
79	T	A	-1.9334
80	R	A	-2.3161
81	T	A	-1.4450
82	S	A	-1.0181
83	S	A	-1.2467
84	V	A	-0.6901
85	V	A	0.0000
86	T	A	-1.1147
87	L	A	0.0000
88	E	A	-0.9703
89	V	A	0.0000
90	A	A	0.0000
91	K	A	-1.3097
92	Q	A	-1.2282
93	G	A	0.0000
94	A	A	0.0000
95	I	A	0.6267
96	Y	A	-0.2066
97	H	A	-0.3632
98	G	A	-0.0582
99	L	A	0.2331
100	A	A	0.3826
101	T	A	0.1663