Project name: SH3_T130F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.159553 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: -3.1022
• Maximal score value: 1.7964
• Average score: -0.793
• Total score value: -45.203

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	0.4768
86	L	A	0.7443
87	F	A	0.8773
88	V	A	0.4078
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	-2.6255
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1022
99	D	A	-2.7837
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.9806
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3042
108	K	A	-0.6498
109	F	A	0.0000
110	Q	A	-0.3470
111	I	A	0.2076
112	L	A	0.5668
113	N	A	-0.8294
114	S	A	-1.1431
115	S	A	-1.5770
116	E	A	-2.5625
117	G	A	-2.1359
118	D	A	-2.4466
119	W	A	-1.1068
120	W	A	-1.0273
121	E	A	-0.6599
122	A	A	0.0000
123	R	A	-0.5745
124	S	A	0.0000
125	L	A	0.3718
126	T	A	-0.3724
127	T	A	-0.3937
128	G	A	-0.5890
129	E	A	-0.9678
130	F	A	0.4896	mutated: TA130F
131	G	A	-0.4199
132	Y	A	-0.4157
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9229
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7556
141	V	A	1.7964