Table 1.

Geometry of engineered disulfide bonds

	χ1	χ2	χ3	χ′2	χ′1	Cα-Cα	Cβ-Cβ	Energy (kcal/mole)a
1hpu Cb1	−44.3	−136.5	90.9	95.8	42.7	5.83	3.95	3.10
2	−147.2	120.4	−109.6	157.3	41.9	5.83	3.95	5.49
3	−145.0	65.9	112.3	−155.7	156.7	5.83	3.95	5.55
5′NT-C chain A	−103.6	169.2	−78.1	−126.0	−60.3	6.11	3.60	11.69
5′NT-C chain B	−91.9	177.5	−94.0	−120.6	−62.1	6.16	3.59	8.91
1hp1c	−73.35	66.3	127.6	−83.5	−146.1	5.60	4.39	5.47
5′NT-O1 chain A	−67.4	178.6	−96.2	74.5	−158.1	5.29	4.22	9.77
5′NT-O1 chain B	−70.4	174.3	−94.7	78.2	−166.4	5.35	4.13	4.04
5′NT-O2	−65.3	65.4	108.2	−80.4	−149.8	5.27	4.24	4.69

^a Total energy of the energy bond according to the algorithm of Hazes and Dijkstra (1988).

^b 1hpu C: chain C of PDB ID 1hpu used as model for the most closed form of bacterial 5′NT, three possible conformations were predicted.

^c 1hp1 PDB ID for the most open form of bacterial 5′NT