Project name: mSA2 model 4jnj [mutate: TA8K, YA10K, TA16K, TA18K, TA20K]

Chain sequence(s)	A: EAGITGTWYNQHGSTFTVTAGADGNLTGQYENRAQGTGCQNSPYTLTGRYNGTKLEWRVEWNNSTENCHSRTEWRGQYQGGAEARINTQWNLTYEGGSGPATEQGQDTFTKVK
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA8K, YA10K, TA16K, TA18K, TA20K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.372168 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.5928
• Maximal score value: 0.0
• Average score: -1.5501
• Total score value: -175.1636

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
2	E	A	-2.4934
3	A	A	-1.2447
4	G	A	-1.2536
5	I	A	0.0000
6	T	A	-1.6211
7	G	A	-1.3534
8	K	A	-2.1488	mutated: TA8K
9	W	A	0.0000
10	K	A	-2.1870	mutated: YA10K
11	N	A	0.0000
12	Q	A	-2.2213
13	H	A	-2.2342
14	G	A	-2.0580
15	S	A	0.0000
16	K	A	-2.4934	mutated: TA16K
17	F	A	0.0000
18	K	A	-2.1660	mutated: TA18K
19	V	A	0.0000
20	K	A	-2.5468	mutated: TA20K
21	A	A	0.0000
22	G	A	-2.0261
23	A	A	-2.0107
24	D	A	-2.5238
25	G	A	-2.5849
26	N	A	-3.0162
27	L	A	0.0000
28	T	A	-1.5786
29	G	A	-1.4028
30	Q	A	-1.8714
31	Y	A	0.0000
32	E	A	-2.1627
33	N	A	0.0000
34	R	A	-2.3675
35	A	A	-1.9224
36	Q	A	-1.9579
37	G	A	-1.3047
38	T	A	-1.0266
39	G	A	-1.4808
40	C	A	0.0000
41	Q	A	-1.8816
42	N	A	-2.1289
43	S	A	-1.5185
44	P	A	-1.4726
45	Y	A	0.0000
46	T	A	-1.4060
47	L	A	0.0000
48	T	A	-1.5559
49	G	A	-2.0962
50	R	A	-3.5928
51	Y	A	-3.2106
52	N	A	-2.9708
53	G	A	-1.8931
54	T	A	-1.9318
55	K	A	-3.0731
56	L	A	0.0000
57	E	A	-3.3646
58	W	A	0.0000
59	R	A	-2.3080
60	V	A	0.0000
61	E	A	-3.0131
62	W	A	0.0000
63	N	A	-3.2201
64	N	A	-2.2237
65	S	A	-1.2783
66	T	A	-1.5457
67	E	A	-2.6340
68	N	A	-3.0088
69	C	A	-2.1285
70	H	A	-2.4230
71	S	A	-1.8878
72	R	A	-1.9392
73	T	A	0.0000
74	E	A	0.0000
75	W	A	0.0000
76	R	A	-3.2798
77	G	A	0.0000
78	Q	A	-2.6357
79	Y	A	-1.7307
80	Q	A	-2.1375
81	G	A	-1.4859
82	G	A	-1.2831
83	A	A	-1.2112
84	E	A	-1.9117
85	A	A	-1.6817
86	R	A	-2.0647
87	I	A	0.0000
88	N	A	-2.2927
89	T	A	0.0000
90	Q	A	-2.3998
91	W	A	-1.9994
92	N	A	-1.6441
93	L	A	-1.1191
94	T	A	-1.2742
95	Y	A	-1.3873
96	E	A	-2.4763
97	G	A	-1.8070
98	G	A	-1.4035
99	S	A	-1.0875
100	G	A	-1.2551
101	P	A	-1.2634
102	A	A	-1.1476
103	T	A	-1.4391
104	E	A	-2.2173
105	Q	A	-2.4471
106	G	A	-1.8229
107	Q	A	-2.2948
108	D	A	0.0000
109	T	A	-1.6131
110	F	A	0.0000
111	T	A	-1.7777
112	K	A	-1.6461
113	V	A	-1.1661
114	K	A	-1.7949