N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester (FD2) Summary
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- N-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester (FD2) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C.1-C.2-C.6-C.54-5-1-0 C.5-C.6-C.2-C.1 | 8.01 | Rigid Ring |
| 2 | C.1-C.2-C.6-C.76-5-1-0 C.7-C.6-C.2-C.1 | -167.221 | Rigid |
| 3 | C.1-C.3-C.4-C.54-3-2-0 C.5-C.4-C.3-C.1 | 2.057 | Rigid Ring |
| 4 | C.1-C.10-C.11-C.1211-10-9-0 C.12-C.11-C.10-C.1 | -35.249 | Flexible |
| 5 | C.1-C.10-C.11-N.2423-10-9-0 C.24-C.11-C.10-N.1 | 86.016 | Flexible |
| 6 | C.2-C.1-C.3-C.43-2-0-1 C.4-C.3-C.1-C.2 | -1.86 | Rigid Ring |
| 7 | C.2-C.1-C.10-C.1110-9-0-1 C.11-C.10-C.1-C.2 | -84.189 | Flexible |
| 8 | C.2-C.6-C.5-C.43-4-5-1 C.4-C.5-C.6-C.2 | -7.742 | Rigid Ring |
| 9 | C.2-C.6-C.7-N.87-6-5-1 C.8-C.7-C.6-N.2 | 155.31 | Rigid |
| 10 | C.2-C.6-C.7-N.98-6-5-1 C.9-C.7-C.6-N.2 | -24.669 | Rigid |
| 11 | C.3-C.1-C.2-C.65-1-0-2 C.6-C.2-C.1-C.3 | -3.361 | Rigid Ring |
| 12 | C.3-C.1-C.10-C.1110-9-0-2 C.11-C.10-C.1-C.3 | 91.912 | Flexible |
| 13 | C.3-C.4-C.5-C.65-4-3-2 C.6-C.5-C.4-C.3 | 3.035 | Rigid Ring |
| 14 | C.4-C.5-C.6-C.76-5-4-3 C.7-C.6-C.5-C.4 | 167.563 | Rigid |
| 15 | C.5-C.6-C.7-N.87-6-5-4 C.8-C.7-C.6-N.5 | -19.661 | Rigid |
| 16 | C.5-C.6-C.7-N.98-6-5-4 C.9-C.7-C.6-N.5 | 160.36 | Rigid |
| 17 | C.10-C.1-C.2-C.65-1-0-9 C.6-C.2-C.1-C.10 | 172.775 | Rigid |
| 18 | C.10-C.1-C.3-C.43-2-0-9 C.4-C.3-C.1-C.10 | -178.107 | Rigid |
| 19 | C.10-C.11-C.12-O.1312-11-10-9 C.13-C.12-C.11-O.10 | 91.178 | Flexible |
| 20 | C.10-C.11-C.12-N.1413-11-10-9 C.14-C.12-C.11-N.10 | -86.657 | Flexible |
| 21 | C.10-C.11-N.24-S.2524-23-10-9 C.25-C.24-N.11-S.10 | 146.561 | Flexible |
| 22 | C.11-C.12-N.14-C.1514-13-11-10 C.15-C.14-N.12-C.11 | -0.332 | Flexible |
| 23 | C.11-C.12-N.14-C.1817-13-11-10 C.18-C.14-N.12-C.11 | 177.316 | Rigid |
| 24 | C.11-N.24-S.25-O.2625-24-23-10 C.26-N.25-S.24-O.11 | 179.829 | Flexible |
| 25 | C.11-N.24-S.25-O.2726-24-23-10 C.27-N.25-S.24-O.11 | -49.559 | Flexible |
| 26 | C.11-N.24-S.25-C.2827-24-23-10 C.28-N.25-S.24-C.11 | 66.583 | Flexible |
| 27 | C.12-C.11-N.24-S.2524-23-10-11 C.25-C.24-N.11-S.12 | -90.905 | Flexible |
| 28 | C.12-N.14-C.15-C.1615-14-13-11 C.16-N.15-C.14-C.12 | -129.656 | Flexible |
| 29 | C.12-N.14-C.18-C.1716-17-13-11 C.17-N.18-C.14-C.12 | 130.823 | Flexible |
| 30 | O.13-C.12-C.11-N.2423-10-11-12 O.24-C.11-C.12-N.13 | -29.607 | Flexible |
| 31 | O.13-C.12-N.14-C.1514-13-11-12 O.15-C.14-N.12-C.13 | -178.134 | Rigid |
| 32 | O.13-C.12-N.14-C.1817-13-11-12 O.18-C.14-N.12-C.13 | -0.486 | Rigid |
| 33 | N.14-C.12-C.11-N.2423-10-11-13 N.24-C.11-C.12-N.14 | 152.558 | Flexible |
| 34 | N.14-C.15-C.16-C.1918-15-14-13 N.19-C.16-C.15-C.14 | -53.589 | Flexible Ring |
| 35 | N.14-C.18-C.17-C.1918-16-17-13 N.19-C.17-C.18-C.14 | 51.205 | Flexible Ring |
| 36 | C.15-N.14-C.18-C.1716-17-13-14 C.17-N.18-C.14-C.15 | -51.349 | Flexible Ring |
| 37 | C.15-C.16-C.19-C.1716-18-15-14 C.17-C.19-C.16-C.15 | 56.275 | Flexible Ring |
| 38 | C.15-C.16-C.19-C.2019-18-15-14 C.20-C.19-C.16-C.15 | 177.586 | Flexible |
| 39 | C.16-C.15-N.14-C.1817-13-14-15 C.18-C.14-N.15-C.16 | 52.671 | Flexible Ring |
| 40 | C.16-C.19-C.17-C.1817-16-18-15 C.18-C.17-C.19-C.16 | -55.379 | Flexible Ring |
| 41 | C.16-C.19-C.20-O.2120-19-18-15 C.21-C.20-C.19-O.16 | -0.603 | Flexible |
| 42 | C.16-C.19-C.20-O.2221-19-18-15 C.22-C.20-C.19-O.16 | -177.596 | Flexible |
| 43 | C.17-C.19-C.20-O.2120-19-18-16 C.21-C.20-C.19-O.17 | 121.484 | Flexible |
| 44 | C.17-C.19-C.20-O.2221-19-18-16 C.22-C.20-C.19-O.17 | -55.51 | Flexible |
| 45 | C.18-C.17-C.19-C.2019-18-16-17 C.20-C.19-C.17-C.18 | -177.485 | Flexible |
| 46 | C.19-C.20-O.22-C.2322-21-19-18 C.23-C.22-O.20-C.19 | 146.306 | Rigid |
| 47 | O.21-C.20-O.22-C.2322-21-19-20 O.23-C.22-O.20-C.21 | -30.666 | Rigid |
| 48 | N.24-S.25-C.28-C.2928-27-24-23 N.29-S.28-C.25-C.24 | 76.038 | Flexible |
| 49 | N.24-S.25-C.28-C.3332-27-24-23 N.33-S.28-C.25-C.24 | -103.662 | Flexible |
| 50 | S.25-C.28-C.29-C.3029-28-27-24 S.30-C.29-C.28-C.25 | -178.496 | Rigid |
| 51 | S.25-C.28-C.33-C.3130-32-27-24 S.31-C.33-C.28-C.25 | 178.814 | Rigid |
| 52 | O.26-S.25-C.28-C.2928-27-24-25 O.29-S.28-C.25-C.26 | -35.456 | Flexible |
| 53 | O.26-S.25-C.28-C.3332-27-24-25 O.33-S.28-C.25-C.26 | 144.844 | Flexible |
| 54 | O.27-S.25-C.28-C.2928-27-24-26 O.29-S.28-C.25-C.27 | -169.684 | Flexible |
| 55 | O.27-S.25-C.28-C.3332-27-24-26 O.33-S.28-C.25-C.27 | 10.616 | Flexible |
| 56 | C.28-C.29-C.30-C.3231-29-28-27 C.32-C.30-C.29-C.28 | -0.752 | Rigid Ring |
| 57 | C.28-C.33-C.31-C.3231-30-32-27 C.32-C.31-C.33-C.28 | 0.098 | Rigid Ring |
| 58 | C.28-C.33-C.31-C.3736-30-32-27 C.37-C.31-C.33-C.28 | -179.863 | Rigid Ring |
| 59 | C.29-C.28-C.33-C.3130-32-27-28 C.31-C.33-C.28-C.29 | -0.877 | Rigid Ring |
| 60 | C.29-C.30-C.32-C.3130-31-29-28 C.31-C.32-C.30-C.29 | -0.006 | Rigid Ring |
| 61 | C.29-C.30-C.32-C.3433-31-29-28 C.34-C.32-C.30-C.29 | -179.702 | Rigid Ring |
| 62 | C.30-C.29-C.28-C.3332-27-28-29 C.33-C.28-C.29-C.30 | 1.202 | Rigid Ring |
| 63 | C.30-C.32-C.31-C.3332-30-31-29 C.33-C.31-C.32-C.30 | 0.333 | Rigid Ring |
| 64 | C.30-C.32-C.31-C.3736-30-31-29 C.37-C.31-C.32-C.30 | -179.705 | Rigid Ring |
| 65 | C.30-C.32-C.34-C.3534-33-31-29 C.35-C.34-C.32-C.30 | 179.741 | Rigid Ring |
| 66 | C.31-C.32-C.34-C.3534-33-31-30 C.35-C.34-C.32-C.31 | 0.043 | Rigid Ring |
| 67 | C.31-C.37-C.36-C.3534-35-36-30 C.35-C.36-C.37-C.31 | 0.058 | Rigid Ring |
| 68 | C.32-C.31-C.37-C.3635-36-30-31 C.36-C.37-C.31-C.32 | -0.049 | Rigid Ring |
| 69 | C.32-C.34-C.35-C.3635-34-33-31 C.36-C.35-C.34-C.32 | -0.035 | Rigid Ring |
| 70 | C.33-C.31-C.32-C.3433-31-30-32 C.34-C.32-C.31-C.33 | -179.964 | Rigid Ring |
| 71 | C.33-C.31-C.37-C.3635-36-30-32 C.36-C.37-C.31-C.33 | 179.913 | Rigid Ring |
| 72 | C.34-C.32-C.31-C.3736-30-31-33 C.37-C.31-C.32-C.34 | -0.002 | Rigid Ring |
| 73 | C.34-C.35-C.36-C.3736-35-34-33 C.37-C.36-C.35-C.34 | -0.016 | Rigid Ring |
Dihedrals Histogram