Project name: SH3_T130D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130D
Energy difference between WT (input) and mutated protein (by FoldX)	0.690905 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: -3.3493
• Maximal score value: 1.7964
• Average score: -1.0711
• Total score value: -61.0509

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	0.7271
87	F	A	0.8751
88	V	A	0.4066
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	-2.6260
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1029
99	D	A	-3.2784
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.3757
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	-0.6719
109	F	A	0.0000
110	Q	A	-0.8510
111	I	A	-0.2760
112	L	A	0.0292
113	N	A	-0.8438
114	S	A	-1.1503
115	S	A	-1.5807
116	E	A	-2.5648
117	G	A	-2.1377
118	D	A	-2.4485
119	W	A	-1.1114
120	W	A	-1.0547
121	E	A	-1.5380
122	A	A	0.0000
123	R	A	-2.4041
124	S	A	0.0000
125	L	A	-0.0966
126	T	A	-0.4112
127	T	A	-0.9592
128	G	A	-1.6465
129	E	A	-2.9277
130	D	A	-3.3493	mutated: TA130D
131	G	A	-2.2995
132	Y	A	-1.2202
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9250
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7547
141	V	A	1.7964