Project name: SH3_T127W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.205046 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: -3.0992
• Maximal score value: 1.7964
• Average score: -0.8575
• Total score value: -48.8796

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	0.9578
88	V	A	0.5011
89	A	A	0.0000
90	L	A	-0.1180
91	Y	A	-0.5465
92	D	A	-2.5239
93	Y	A	-1.9214
94	E	A	-2.6325
95	A	A	-2.6136
96	R	A	-2.9804
97	T	A	-2.6572
98	E	A	-3.0992
99	D	A	-3.0401
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1749
103	F	A	0.0000
104	H	A	-2.6538
105	K	A	-2.3364
106	G	A	-1.3503
107	E	A	0.0000
108	K	A	-0.4061
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
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	-1.1536
122	A	A	0.0000
123	R	A	-1.5139
124	S	A	0.0000
125	L	A	0.4696
126	T	A	0.1883
127	W	A	0.4628	mutated: TA127W
128	G	A	-0.7411
129	E	A	-1.8293
130	T	A	-1.5188
131	G	A	-1.4951
132	Y	A	-0.8641
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