Project name: SH3_S102H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102H
Energy difference between WT (input) and mutated protein (by FoldX)	0.69751 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: -3.2075
• Maximal score value: 1.7964
• Average score: -1.0131
• Total score value: -57.7451

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	0.5173
86	L	A	0.7932
87	F	A	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1508
91	Y	A	-0.5745
92	D	A	-2.7209
93	Y	A	-2.2213
94	E	A	-3.0105
95	A	A	-2.9776
96	R	A	-3.1219
97	T	A	-2.7640
98	E	A	-3.2075
99	D	A	-3.1358
100	D	A	0.0000
101	L	A	0.0000
102	H	A	-3.0955	mutated: SA102H
103	F	A	0.0000
104	H	A	-2.9077
105	K	A	-2.4052
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5073
111	I	A	-0.0551
112	L	A	0.1449
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1503
122	A	A	0.0000
123	R	A	-1.7058
124	S	A	0.0000
125	L	A	0.0628
126	T	A	-0.4709
127	T	A	-0.8153
128	G	A	-1.3488
129	E	A	-2.3294
130	T	A	-1.7657
131	G	A	-1.6168
132	Y	A	-0.9804
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964