Project name: SH3_N135H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.00517316 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: -3.4827
• Maximal score value: 1.2498
• Average score: -0.8836
• Total score value: -53.0175

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1091
87	V	A	-0.6282
88	A	A	0.0000
89	L	A	-0.2834
90	Y	A	-0.7114
91	D	A	-2.8568
92	Y	A	-2.1108
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4827
104	K	A	-2.8656
105	G	A	-1.9616
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4369
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8145
114	T	A	-1.7328
115	E	A	-2.9365
116	G	A	-2.5777
117	D	A	-2.6342
118	W	A	-1.3080
119	W	A	-0.6691
120	L	A	0.4044
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2194
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.1629
135	H	A	-0.9862	mutated: NA135H
136	Y	A	-0.1084
137	V	A	0.0000
138	A	A	0.0220
139	P	A	-0.1505
140	S	A	-0.1759