Project name: SH3_T130W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130W
Energy difference between WT (input) and mutated protein (by FoldX)	0.42211 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: -3.1025
• Maximal score value: 1.7957
• Average score: -0.8528
• Total score value: -48.6093

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	0.4854
86	L	A	0.7221
87	F	A	0.8720
88	V	A	0.3963
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	-2.6262
96	R	A	-2.9854
97	T	A	-2.6610
98	E	A	-3.1025
99	D	A	-2.8848
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.0438
103	F	A	0.0000
104	H	A	-2.7278
105	K	A	-2.4052
106	G	A	-1.4570
107	E	A	-1.3338
108	K	A	-0.7139
109	F	A	0.0000
110	Q	A	-0.4657
111	I	A	0.1301
112	L	A	0.4963
113	N	A	-0.8020
114	S	A	-1.1327
115	S	A	-1.5726
116	E	A	-2.5645
117	G	A	-2.1378
118	D	A	-2.4491
119	W	A	-1.1121
120	W	A	-1.0355
121	E	A	-0.8484
122	A	A	0.0000
123	R	A	-1.0377
124	S	A	0.0000
125	L	A	0.1317
126	T	A	-0.4424
127	T	A	-0.5093
128	G	A	-0.7814
129	E	A	-1.2644
130	W	A	-0.2700	mutated: TA130W
131	G	A	-0.7893
132	Y	A	-0.5946
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9241
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4155
140	P	A	0.7589
141	V	A	1.7957