Project name: ZEDIII-Tol3 [mutate: LE307A, TE309N, VE391A, EE393A, KE394A] [mutate: LE300A, VE303A]

Chain sequence(s)	E: MRLKGVSYSACNAAFTFTKIPAETLHGTVTVEVQYAGTDGPCKVPAQMAVDMQTLTPVGRLITANPVITESTENSKMMLELDPPFGDSYIVIGAGAAKITHHWHRSGS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LE300A, VE303A
Energy difference between WT (input) and mutated protein (by FoldX)	0.097996 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: -3.2111
• Maximal score value: 1.0062
• Average score: -0.5803
• Total score value: -62.6675

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
298	M	E	0.1546
299	R	E	-1.6944
300	A	E	-1.0798	mutated: LE300A
301	K	E	-1.5399
302	G	E	0.0000
303	A	E	-0.6547	mutated: VE303A
304	S	E	-0.6874
305	Y	E	-0.4599
306	S	E	-0.7105
307	A	E	-0.7329
308	C	E	0.0000
309	N	E	-1.7616
310	A	E	-0.9734
311	A	E	-0.5437
312	F	E	0.0000
313	T	E	-0.5174
314	F	E	0.0385
315	T	E	-0.5617
316	K	E	-0.6530
317	I	E	1.0062
318	P	E	0.0000
319	A	E	-0.5075
320	E	E	-1.5560
321	T	E	-0.5939
322	L	E	0.6093
323	H	E	-0.6392
324	G	E	-0.6602
325	T	E	-0.9102
326	V	E	0.0000
327	T	E	-0.3160
328	V	E	0.0000
329	E	E	-0.4660
330	V	E	0.0000
331	Q	E	-1.4964
332	Y	E	0.0000
333	A	E	-1.6413
334	G	E	0.0000
335	T	E	-2.0926
336	D	E	-2.3616
337	G	E	0.0000
338	P	E	-1.1884
339	C	E	0.0000
340	K	E	-0.8610
341	V	E	0.0000
342	P	E	-0.4246
343	A	E	-0.3767
344	Q	E	-0.4688
345	M	E	0.0000
346	A	E	0.0000
347	V	E	0.9116
348	D	E	-0.2981
349	M	E	0.0115
350	Q	E	-1.0278
351	T	E	-0.5037
352	L	E	0.1026
353	T	E	-0.0116
354	P	E	-0.3844
355	V	E	-0.0496
356	G	E	-0.7804
357	R	E	-1.7707
358	L	E	-0.2314
359	I	E	0.5764
360	T	E	0.3225
361	A	E	-0.0392
362	N	E	-0.6443
363	P	E	0.0000
364	V	E	0.0000
365	I	E	0.0000
366	T	E	-1.2123
367	E	E	-2.4198
368	S	E	-1.9961
369	T	E	-2.0413
370	E	E	-3.2111
371	N	E	-2.8412
372	S	E	-2.4106
373	K	E	-2.3292
374	M	E	-0.6915
375	M	E	-0.0993
376	L	E	0.0000
377	E	E	-0.5112
378	L	E	0.0000
379	D	E	-0.9274
380	P	E	0.0000
381	P	E	-0.1145
382	F	E	0.3954
383	G	E	-0.6538
384	D	E	-1.6576
385	S	E	0.0000
386	Y	E	0.1423
387	I	E	0.0000
388	V	E	0.0000
389	I	E	0.0000
390	G	E	-0.6368
391	A	E	-0.6147
392	G	E	-0.7635
393	A	E	-0.4268
394	A	E	-0.5134
395	K	E	-0.7485
396	I	E	0.0478
397	T	E	-0.0498
398	H	E	-0.0329
399	H	E	-0.8785
400	W	E	0.0000
401	H	E	-1.7217
402	R	E	-1.1839
403	S	E	-0.7380
404	G	E	-0.4890
405	S	E	-0.1999