1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine (MID) Summary
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- 1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine (MID) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | S.1-C2.5-C1.4-C9.1211-3-4-0 S.12-C2.4-C1.5-C9.1 | -177.101 | Rigid |
| 2 | S.1-C2.5-C3.6-C4.76-5-4-0 S.7-C2.6-C3.5-C4.1 | 177.194 | Rigid |
| 3 | S.1-N.14-CA.15-C.1615-14-13-0 S.16-N.15-CA.14-C.1 | -126.797 | Flexible |
| 4 | O1S.2-S.1-C2.5-C1.43-4-0-1 O1S.4-S.5-C2.1-C1.2 | 137.351 | Flexible |
| 5 | O1S.2-S.1-C2.5-C3.65-4-0-1 O1S.6-S.5-C2.1-C3.2 | -39.009 | Flexible |
| 6 | O1S.2-S.1-N.14-CA.1514-13-0-1 O1S.15-S.14-N.1-CA.2 | -177.454 | Flexible |
| 7 | O2S.3-S.1-C2.5-C1.43-4-0-2 O2S.4-S.5-C2.1-C1.3 | 2.948 | Flexible |
| 8 | O2S.3-S.1-C2.5-C3.65-4-0-2 O2S.6-S.5-C2.1-C3.3 | -173.412 | Flexible |
| 9 | O2S.3-S.1-N.14-CA.1514-13-0-2 O2S.15-S.14-N.1-CA.3 | -45.316 | Flexible |
| 10 | C1.4-C2.5-C3.6-C4.76-5-4-3 C1.7-C2.6-C3.5-C4.4 | 0.851 | Rigid Ring |
| 11 | C1.4-C9.12-C8.11-C7.109-10-11-3 C1.10-C9.11-C8.12-C7.4 | 179.696 | Rigid Ring |
| 12 | C1.4-C9.12-C10.13-C4.76-12-11-3 C1.7-C9.13-C10.12-C4.4 | 0.168 | Rigid Ring |
| 13 | C1.4-C9.12-C10.13-C5.87-12-11-3 C1.8-C9.13-C10.12-C5.4 | 179.957 | Rigid Ring |
| 14 | C2.5-S.1-N.14-CA.1514-13-0-4 C2.15-S.14-N.1-CA.5 | 69.379 | Flexible |
| 15 | C2.5-C1.4-C9.12-C8.1110-11-3-4 C2.11-C1.12-C9.4-C8.5 | -179.696 | Rigid Ring |
| 16 | C2.5-C1.4-C9.12-C10.1312-11-3-4 C2.13-C1.12-C9.4-C10.5 | 0.29 | Rigid Ring |
| 17 | C2.5-C3.6-C4.7-C10.1312-6-5-4 C2.13-C3.7-C4.6-C10.5 | -0.384 | Rigid Ring |
| 18 | C3.6-C2.5-C1.4-C9.1211-3-4-5 C3.12-C2.4-C1.5-C9.6 | -0.806 | Rigid Ring |
| 19 | C3.6-C4.7-C10.13-C5.87-12-6-5 C3.8-C4.13-C10.7-C5.6 | -179.907 | Rigid Ring |
| 20 | C3.6-C4.7-C10.13-C9.1211-12-6-5 C3.12-C4.13-C10.7-C9.6 | -0.122 | Rigid Ring |
| 21 | C4.7-C10.13-C5.8-C6.98-7-12-6 C4.9-C10.8-C5.13-C6.7 | -179.909 | Rigid Ring |
| 22 | C4.7-C10.13-C9.12-C8.1110-11-12-6 C4.11-C10.12-C9.13-C8.7 | -179.846 | Rigid Ring |
| 23 | C5.8-C6.9-C7.10-C8.1110-9-8-7 C5.11-C6.10-C7.9-C8.8 | -0.141 | Rigid Ring |
| 24 | C5.8-C10.13-C9.12-C8.1110-11-12-7 C5.11-C10.12-C9.13-C8.8 | -0.057 | Rigid Ring |
| 25 | C6.9-C5.8-C10.13-C9.1211-12-7-8 C6.12-C5.13-C10.8-C9.9 | 0.305 | Rigid Ring |
| 26 | C6.9-C7.10-C8.11-C9.1211-10-9-8 C6.12-C7.11-C8.10-C9.9 | 0.392 | Rigid Ring |
| 27 | C7.10-C6.9-C5.8-C10.1312-7-8-9 C7.13-C6.8-C5.9-C10.10 | -0.208 | Rigid Ring |
| 28 | C7.10-C8.11-C9.12-C10.1312-11-10-9 C7.13-C8.12-C9.11-C10.10 | -0.29 | Rigid Ring |
| 29 | N.14-S.1-C2.5-C1.43-4-0-13 N.4-S.5-C2.1-C1.14 | -110.669 | Flexible |
| 30 | N.14-S.1-C2.5-C3.65-4-0-13 N.6-S.5-C2.1-C3.14 | 72.971 | Flexible |
| 31 | N.14-CA.15-C.16-O.1716-15-14-13 N.17-CA.16-C.15-O.14 | 9.345 | Flexible |
| 32 | N.14-CA.15-C.16-N1.1817-15-14-13 N.18-CA.16-C.15-N1.14 | -169.858 | Flexible |
| 33 | CA.15-C.16-N1.18-CA1.1918-17-15-14 CA.19-C.18-N1.16-CA1.15 | -175.384 | Rigid |
| 34 | C.16-N1.18-CA1.19-CB.2019-18-17-15 C.20-N1.19-CA1.18-CB.16 | 134.851 | Flexible |
| 35 | C.16-N1.18-CA1.19-CB1.2221-18-17-15 C.22-N1.19-CA1.18-CB1.16 | -104.874 | Flexible |
| 36 | O.17-C.16-N1.18-CA1.1918-17-15-16 O.19-C.18-N1.16-CA1.17 | 5.415 | Rigid |
| 37 | N1.18-CA1.19-CB.20-O1.2120-19-18-17 N1.21-CA1.20-CB.19-O1.18 | 95.702 | Flexible |
| 38 | N1.18-CA1.19-CB.20-N11.3231-19-18-17 N1.32-CA1.20-CB.19-N11.18 | -76.545 | Flexible |
| 39 | N1.18-CA1.19-CB1.22-CG.2322-21-18-17 N1.23-CA1.22-CB1.19-CG.18 | 78.981 | Flexible |
| 40 | CA1.19-CB.20-N11.32-C21.3332-31-19-18 CA1.33-CB.32-N11.20-C21.19 | -9.707 | Flexible |
| 41 | CA1.19-CB.20-N11.32-C61.3736-31-19-18 CA1.37-CB.32-N11.20-C61.19 | 173.332 | Flexible |
| 42 | CA1.19-CB1.22-CG.23-CD1.2423-22-21-18 CA1.24-CB1.23-CG.22-CD1.19 | -88.178 | Flexible |
| 43 | CA1.19-CB1.22-CG.23-CD2.2524-22-21-18 CA1.25-CB1.23-CG.22-CD2.19 | 86.948 | Flexible |
| 44 | CB.20-CA1.19-CB1.22-CG.2322-21-18-19 CB.23-CA1.22-CB1.19-CG.20 | -164.124 | Flexible |
| 45 | CB.20-N11.32-C21.33-C31.3433-32-31-19 CB.34-N11.33-C21.32-C31.20 | 126.075 | Flexible |
| 46 | CB.20-N11.32-C61.37-C51.3635-36-31-19 CB.36-N11.37-C61.32-C51.20 | -125.861 | Flexible |
| 47 | O1.21-CB.20-CA1.19-CB1.2221-18-19-20 O1.22-CB.19-CA1.20-CB1.21 | -25.095 | Flexible |
| 48 | O1.21-CB.20-N11.32-C21.3332-31-19-20 O1.33-CB.32-N11.20-C21.21 | 178.222 | Flexible |
| 49 | O1.21-CB.20-N11.32-C61.3736-31-19-20 O1.37-CB.32-N11.20-C61.21 | 1.261 | Flexible |
| 50 | CB1.22-CA1.19-CB.20-N11.3231-19-18-21 CB1.32-CA1.20-CB.19-N11.22 | 162.658 | Flexible |
| 51 | CB1.22-CG.23-CD1.24-CE1.2625-23-22-21 CB1.26-CG.24-CD1.23-CE1.22 | 171.965 | Rigid |
| 52 | CB1.22-CG.23-CD2.25-CE2.2726-24-22-21 CB1.27-CG.25-CD2.23-CE2.22 | -172.463 | Rigid |
| 53 | CG.23-CD1.24-CE1.26-CZ.2827-25-23-22 CG.28-CD1.26-CE1.24-CZ.23 | 0.483 | Rigid Ring |
| 54 | CG.23-CD2.25-CE2.27-CZ.2827-26-24-22 CG.28-CD2.27-CE2.25-CZ.23 | 0.49 | Rigid Ring |
| 55 | CD1.24-CG.23-CD2.25-CE2.2726-24-22-23 CD1.27-CG.25-CD2.23-CE2.24 | 2.767 | Rigid Ring |
| 56 | CD1.24-CE1.26-CZ.28-CE2.2726-27-25-23 CD1.27-CE1.28-CZ.26-CE2.24 | 2.688 | Rigid Ring |
| 57 | CD1.24-CE1.26-CZ.28-CF.2928-27-25-23 CD1.29-CE1.28-CZ.26-CF.24 | -175.777 | Rigid |
| 58 | CD2.25-CG.23-CD1.24-CE1.2625-23-22-24 CD2.26-CG.24-CD1.23-CE1.25 | -3.242 | Rigid Ring |
| 59 | CD2.25-CE2.27-CZ.28-CE1.2625-27-26-24 CD2.26-CE2.28-CZ.27-CE1.25 | -3.168 | Rigid Ring |
| 60 | CD2.25-CE2.27-CZ.28-CF.2928-27-26-24 CD2.29-CE2.28-CZ.27-CF.25 | 175.297 | Rigid |
| 61 | CE1.26-CZ.28-CF.29-NG1.3029-28-27-25 CE1.30-CZ.29-CF.28-NG1.26 | -0.918 | Rigid |
| 62 | CE1.26-CZ.28-CF.29-NG2.3130-28-27-25 CE1.31-CZ.29-CF.28-NG2.26 | 178.015 | Rigid |
| 63 | CE2.27-CZ.28-CF.29-NG1.3029-28-27-26 CE2.30-CZ.29-CF.28-NG1.27 | -179.308 | Rigid |
| 64 | CE2.27-CZ.28-CF.29-NG2.3130-28-27-26 CE2.31-CZ.29-CF.28-NG2.27 | -0.375 | Rigid |
| 65 | N11.32-C21.33-C31.34-C41.3534-33-32-31 N11.35-C21.34-C31.33-C41.32 | 53.648 | Flexible Ring |
| 66 | N11.32-C61.37-C51.36-C41.3534-35-36-31 N11.35-C61.36-C51.37-C41.32 | -53.741 | Flexible Ring |
| 67 | C21.33-N11.32-C61.37-C51.3635-36-31-32 C21.36-N11.37-C61.32-C51.33 | 56.834 | Flexible Ring |
| 68 | C21.33-C31.34-C41.35-C51.3635-34-33-32 C21.36-C31.35-C41.34-C51.33 | -52.593 | Flexible Ring |
| 69 | C31.34-C21.33-N11.32-C61.3736-31-32-33 C31.37-C21.32-N11.33-C61.34 | -56.835 | Flexible Ring |
| 70 | C31.34-C41.35-C51.36-C61.3736-35-34-33 C31.37-C41.36-C51.35-C61.34 | 52.634 | Flexible Ring |
Dihedrals Histogram