Project name: SH3_S135H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA135H
Energy difference between WT (input) and mutated protein (by FoldX)	0.839239 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.9829
• Total score value: -56.027

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
85	T	A	0.5180
86	L	A	0.7941
87	F	A	0.8803
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6422
109	F	A	0.0000
110	Q	A	-0.5096
111	I	A	-0.0961
112	L	A	0.1406
113	N	A	-0.8891
114	S	A	-1.2348
115	S	A	-1.5879
116	E	A	-2.5465
117	G	A	-2.1495
118	D	A	-2.5493
119	W	A	-1.2266
120	W	A	-1.1756
121	E	A	-1.2054
122	A	A	0.0000
123	R	A	-1.7172
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6922
131	G	A	-1.5038
132	Y	A	-0.9263
133	I	A	0.0000
134	P	A	0.0000
135	H	A	-1.2818	mutated: SA135H
136	N	A	-1.3265
137	Y	A	-0.2406
138	V	A	0.0000
139	A	A	0.3559
140	P	A	0.7757
141	V	A	1.7964