Project name: SH3_D118M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA118M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.811232 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: -3.1027
• Maximal score value: 1.7964
• Average score: -0.8049
• Total score value: -45.8812

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	0.9386
88	V	A	0.4505
89	A	A	0.0000
90	L	A	-0.1120
91	Y	A	-0.5441
92	D	A	-2.5419
93	Y	A	-1.9120
94	E	A	-2.6460
95	A	A	-2.6262
96	R	A	-2.9854
97	T	A	-2.6608
98	E	A	-3.1027
99	D	A	-3.0431
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2064
103	F	A	0.0000
104	H	A	-2.7286
105	K	A	-2.3896
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5085
111	I	A	-0.0551
112	L	A	0.1442
113	N	A	-0.6516
114	S	A	-0.6692
115	S	A	-1.2106
116	E	A	-2.0869
117	G	A	-1.0374
118	M	A	-0.0653	mutated: DA118M
119	W	A	-0.0235
120	W	A	-0.4381
121	E	A	-0.9092
122	A	A	0.0000
123	R	A	-1.7148
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	-1.6925
131	G	A	-1.5129
132	Y	A	-0.6167
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.1393
136	N	A	-0.6562
137	Y	A	-0.0130
138	V	A	0.0000
139	A	A	0.4428
140	P	A	0.7757
141	V	A	1.7964