TABLE 5.
Comparison of the main-chain torsion angles of the P3-P3′ peptide segment of Nb4 with BPTI, CI2, Eglin c and PAI-1
The numbers in parentheses indicate the values of the main-chain torsion angles of the free inhibitor. The values for BPTI, CI2, Eglin c, and PAI-1 were obtained from the atomic coordinate files in the Protein Data Bank using the following PDB codes: BPTI/trypsin (PDB code 4Y0Y); BPTIfree (PDB code 5PTI); CI2/subtilisin (PDB code 1LW6); CI2free (PDB code 2CI2); Eglin c/subtilisin (PDB code 1CSE); and PAI-1/uPA (PDB code 3PB1).
| P3 | P2 | P1 | P1′ | P2′ | P3′ | |
|---|---|---|---|---|---|---|
| Nb4 | Ser | Gly | Arg | Arg | Arg | Tyr |
| ϕ | −109.91 (−146.84) | −66.06 (−131.64) | −100.97 (−69.10) | −66.75 (−64.94) | −80.74 (−79.18) | −113.85 (−78.21) |
| ψ | −16.62 (112.10) | 138.85 (154.40) | 22.20 (−16.02) | 168.54 (150.02) | 138.64 (130.00) | 143.90 (143.62) |
| BPTI | Pro | Cys | Lys | Ala | Arg | Ile |
| ϕ | −88.28 (−82.42) | −73.44 (−84.35) | −109.28 (−108.13) | −75.82 (−76.04) | −125.154 (−128.87) | −106.28 (−108.77) |
| ψ | −18.31 (−3.42) | 158.34 (154.75) | 29.83 (21.39) | 168.10 (168.38) | 81.19 (86.21) | 128.13 (117.47) |
| CI2 | Val | Thr | Met | Glu | Tyr | Arg |
| ϕ | −133.38 (−102.63) | −60.48 (−77.11) | −103.67 (−63.17) | −84.10 (−90.69) | −107.63 (−93.15) | −114.16 (−125.05) |
| ψ | 162.40 (166.46) | 146.33 (134.44) | 30.75 (26.94) | 153.64 (127.71) | 112.97 (116.84) | 108.19 (114.65) |
| Eglin c | Val | Thr | Leu | Asp | Leu | Arg |
| ϕ | −138.53 | −62.17 | −115.42 | −96.72 | −117.414 | −121.08 |
| ψ | 167.98 | 143.06 | 44.67 | 168.83 | 109.86 | 111.94 |
| PAI-1 | Ser | Ala | Arg | Met | Ala | Pro |
| ϕ | −85.34 | −55.10 | −98.95 | −62.81 | −70.64 | −68.52 |
| ψ | −29.16 | 134.90 | 12.74 | 164.71 | 115.74 | 139.41 |