Table 5.

Residue pairs shortlisted for disulfide engineering.

Res1 chain	Res1 seq #	Res1 AA	Res2 chain	Res2 seq #	Res2 AA	Chi3	Energy	Sum B-factors
A	97	PHE	A	102	MET	−86.29	1.23	0
A	110	THR	A	114	ASP	109.74	5.39	0
A	158	TYR	A	190	ALA	−108.6	5.63	0
A	229	TRP	A	234	SER	126.5	7.66	0
A	229	TRP	A	235	SER	−100.22	3.63	0
A	247	LEU	A	251	ALA	86.04	3.56	0
A	260	ALA	A	282	THR	118.89	2.5	0
A	261	PHE	A	302	PHE	105.89	5.82	0
A	263	THR	A	280	PHE	−106.33	2.62	0
A	267	LEU	A	278	MET	−83.19	3.18	0
A	268	CYS	A	305	ALA	−112.99	6.14	0
A	270	GLY	A	275	LEU	124.91	6.54	0
A	274	GLY	A	295	THR	−107.75	4.37	0
A	277	CYS	A	305	ALA	−78.11	1.24	0
A	279	ALA	A	299	CYS	−76.8	5.24	0
A	285	ARG	A	300	MET	−76.39	4.49	0
A	293	PRO	A	311	PRO	95.37	4.87	0
A	320	CYS	A	342	PHE	114.39	2.37	0
A	321	MET	A	324	LEU	123.71	3.02	0
A	323	PHE	A	340	LEU	−87.62	2.83	0
A	336	PRO	A	369	ALA	99.99	2.84	0
A	348	VAL	A	389	VAL	125.53	5.9	0
A	350	GLY	A	354	GLY	102.65	5.14	0
A	363	LEU	A	384	SER	87.87	1.22	0
A	372	GLY	A	375	ARG	105.76	4.29	0
A	377	PRO	A	408	PHE	112.75	3.23	0
A	380	LEU	A	403	LEU	80.23	5.29	0
A	387	LEU	A	396	LEU	111.66	4.04	0
A	390	GLY	A	395	LEU	−62.98	5.65	0
A	400	SER	A	441	SER	−75.24	3.78	0
A	448	ALA	A	467	ILE	−91.3	5.12	0
A	469	LEU	A	492	GLY	−85.2	2.81	0
A	472	GLY	A	491	PRO	74.27	4.2	0
A	477	LEU	A	497	VAL	124.74	5.55	0
A	499	TYR	A	562	ALA	84	1.2	0
A	512	GLY	A	533	PRO	83.4	3.1	0
A	514	GLY	A	531	PRO	−97.54	5.75	0
A	516	SER	A	537	PHE	82.22	2.65	0
A	518	PHE	A	526	ILE	110.01	2.55	0
A	522	ASN	A	540	LEU	97.31	3.12	0
A	523	GLY	A	794	GLY	−94.11	2.48	0
A	523	GLY	A	798	TRP	−90.23	2.84	0
A	542	GLY	A	790	GLY	−113.82	5.53	0
A	556	ILE	A	590	GLY	−91.62	1.66	0
A	559	GLY	A	583	VAL	79.53	6.6	0
A	562	ALA	A	582	LEU	101.05	2.72	0
A	577	GLY	A	808	LEU	89.37	2.67	0
A	599	ALA	A	621	ARG	−102.21	3.64	0
A	614	GLY	A	657	LEU	−80.8	2.37	0
A	614	GLY	A	661	ALA	−72.29	4.59	0
A	632	GLY	A	635	PHE	121.17	4.49	0
A	642	ARG	A	662	GLY	−82.84	3.57	0
A	650	GLY	A	655	ILE	88.7	3.96	0
A	670	GLY	A	726	GLY	−116.69	5.07	0
A	671	PRO	A	726	GLY	−66.97	5.27	0
A	672	GLY	A	726	GLY	−65.36	5.59	0
A	699	SER	A	702	ALA	−92.32	2.2	0
A	708	LEU	A	717	ALA	106.12	3.41	0
A	723	ARG	A	748	MET	−95.54	3.87	0
A	737	PHE	A	749	HIS	103.9	3.82	0
A	740	ASN	A	807	ALA	99.13	5.01	0
A	741	ALA	A	745	LEU	124.88	2.64	0
A	752	GLY	A	755	ALA	−103.23	3	0
A	764	ALA	A	826	GLN	84.38	4.6	0
A	765	ALA	A	777	ARG	75.84	1.42	0
A	765	ALA	A	782	ALA	−83.1	3.88	0
A	799	LEU	A	841	LEU	−90.24	5.33	0
A	799	LEU	A	842	GLU	67.85	5.1	0
A	822	GLY	A	846	ILE	−77.27	4.69	0
A	832	GLY	A	835	ASP	120.01	2.47	0