Project name: SH3_T130P

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130P
Energy difference between WT (input) and mutated protein (by FoldX)	0.760651 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: -3.1034
• Maximal score value: 1.7964
• Average score: -0.9518
• Total score value: -54.252

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	0.4749
86	L	A	0.7277
87	F	A	0.8754
88	V	A	0.4074
89	A	A	0.0000
90	L	A	-0.1508
91	Y	A	-0.5745
92	D	A	-2.5598
93	Y	A	-1.9320
94	E	A	-2.6458
95	A	A	-2.6268
96	R	A	-2.9854
97	T	A	-2.6610
98	E	A	-3.1034
99	D	A	-3.0754
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1884
103	F	A	0.0000
104	H	A	-2.7278
105	K	A	-2.4052
106	G	A	-1.4570
107	E	A	-1.3019
108	K	A	-0.6699
109	F	A	0.0000
110	Q	A	-0.6650
111	I	A	-0.0964
112	L	A	0.2337
113	N	A	-0.8536
114	S	A	-1.1576
115	S	A	-1.5843
116	E	A	-2.5707
117	G	A	-2.1424
118	D	A	-2.4541
119	W	A	-1.1232
120	W	A	-1.0730
121	E	A	-1.2237
122	A	A	0.0000
123	R	A	-1.6370
124	S	A	0.0000
125	L	A	0.1137
126	T	A	-0.3757
127	T	A	-0.6750
128	G	A	-1.1398
129	E	A	-1.9376
130	P	A	-1.6703	mutated: TA130P
131	G	A	-1.4932
132	Y	A	-0.9080
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9306
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7547
141	V	A	1.7964