Project name: SH3_W120I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA120I
Energy difference between WT (input) and mutated protein (by FoldX)	0.553197 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: 1.8505
• Average score: -0.9485
• Total score value: -54.0618

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	0.5593
86	L	A	0.8756
87	F	A	1.0824
88	V	A	0.5090
89	A	A	0.0000
90	L	A	-0.1319
91	Y	A	-0.5743
92	D	A	-2.5596
93	Y	A	-1.9312
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	-2.4057
106	G	A	-1.4392
107	E	A	-1.2839
108	K	A	-0.5906
109	F	A	0.0000
110	Q	A	-0.4757
111	I	A	-0.0590
112	L	A	0.1042
113	N	A	-0.9791
114	S	A	-1.3329
115	S	A	-1.6822
116	E	A	-2.6467
117	G	A	-2.2535
118	D	A	-2.5464
119	W	A	-1.2296
120	I	A	0.0000	mutated: WA120I
121	E	A	-1.2574
122	A	A	0.0000
123	R	A	-1.7277
124	S	A	0.0000
125	L	A	0.0755
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6898
131	G	A	-1.5253
132	Y	A	-0.9334
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9920
136	N	A	-1.1803
137	Y	A	-0.1126
138	V	A	0.0000
139	A	A	0.4660
140	P	A	0.8441
141	V	A	1.8505