Project name: SSNA1 [mutate: EK20A, EK21A, KE112A, KE105A, RE117A]

Chain sequence(s)	A: MTQQGAALQNYNNELVKCIEELCQKREELCRQIQEEEDEKQRLQNEVRQLTEKLARVNENLARKIASRNEFDRTIAETEAAYLKILESSQTLLSVLKREAGNLTKATAPDQKSSGGRDS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	EK20A,EK21A,KE105A,KE112A,RE117A
Energy difference between WT (input) and mutated protein (by FoldX)	1.84907 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:01:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:31)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:28)

• Minimal score value: -5.71
• Maximal score value: 1.6916
• Average score: -1.8191
• Total score value: -216.4754

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	0.3055
2	T	A	-0.5119
3	Q	A	-1.4152
4	Q	A	-1.3524
5	G	A	-0.9246
6	A	A	-1.0088
7	A	A	-0.8760
8	L	A	-0.4918
9	Q	A	-2.0091
10	N	A	-1.8889
11	Y	A	-0.4847
12	N	A	-1.5867
13	N	A	-1.8324
14	E	A	-1.9074
15	L	A	-0.1668
16	V	A	0.5131
17	K	A	-1.0945
18	C	A	-0.1414
19	I	A	0.9710
20	K	A	-1.7741	mutated: EK20A
21	K	A	-2.4514	mutated: EK21A
22	L	A	-1.4037
23	C	A	-1.9487
24	Q	A	-3.4618
25	K	A	-3.9320
26	R	A	-3.9013
27	E	A	-3.6975
28	E	A	-3.5155
29	L	A	-1.5488
30	C	A	-1.7318
31	R	A	-3.7340
32	Q	A	-3.0395
33	I	A	-1.9947
34	Q	A	-3.8305
35	E	A	-5.0359
36	E	A	-5.7100
37	E	A	-5.6436
38	D	A	-5.2345
39	E	A	-5.6895
40	K	A	-5.6954
41	Q	A	-4.9885
42	R	A	-4.7992
43	L	A	-2.8355
44	Q	A	-3.1828
45	N	A	-3.7775
46	E	A	-3.1164
47	V	A	-1.0908
48	R	A	-2.9006
49	Q	A	-2.5380
50	L	A	-1.0174
51	T	A	-1.1956
52	E	A	-2.3019
53	K	A	-1.6169
54	L	A	-0.6039
55	A	A	-1.5749
56	R	A	-2.4944
57	V	A	-0.9296
58	N	A	-2.2309
59	E	A	-3.2209
60	N	A	-2.3182
61	L	A	-1.1892
62	A	A	-1.7833
63	R	A	-2.8865
64	K	A	-2.6930
65	I	A	-0.5185
66	A	A	-1.4817
67	S	A	-2.1319
68	R	A	-2.8949
69	N	A	-2.6066
70	E	A	-2.5617
71	F	A	-0.6553
72	D	A	-2.4727
73	R	A	-2.9168
74	T	A	-1.3602
75	I	A	0.0385
76	A	A	-1.3166
77	E	A	-2.1040
78	T	A	-1.1477
79	E	A	-1.4817
80	A	A	-0.7780
81	A	A	-0.0903
82	Y	A	0.5317
83	L	A	0.3948
84	K	A	-0.8281
85	I	A	1.1929
86	L	A	0.7378
87	E	A	-1.2751
88	S	A	-0.2603
89	S	A	0.2751
90	Q	A	-0.5180
91	T	A	0.6623
92	L	A	1.6916
93	L	A	0.8751
94	S	A	0.2896
95	V	A	1.0355
96	L	A	0.2060
97	K	A	-1.7887
98	R	A	-2.5790
99	E	A	-2.6672
100	A	A	-1.7159
101	G	A	-2.1685
102	N	A	-2.5265
103	L	A	-0.6448
104	T	A	-1.1318
105	E	A	-2.0325	mutated: KE105A
106	A	A	-0.8924
107	T	A	-0.6704
108	A	A	-1.1315
109	P	A	-1.9364
110	D	A	-3.1026
111	Q	A	-3.1331
112	E	A	-3.2584	mutated: KE112A
113	S	A	-2.0336
114	S	A	-1.5589
115	G	A	-1.8260
116	G	A	-2.3023
117	E	A	-3.1199	mutated: RE117A
118	D	A	-3.0115
119	S	A	-1.6112