Amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium (MIT) Summary
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- Amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium (MIT) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | S.1-C8.11-C7.10-C6.98-9-10-0 S.9-C8.10-C7.11-C6.1 | 176.661 | Rigid |
| 2 | S.1-C8.11-C9.12-C4.76-11-10-0 S.7-C8.12-C9.11-C4.1 | -170.017 | Rigid |
| 3 | S.1-C8.11-C9.12-N.1413-11-10-0 S.14-C8.12-C9.11-N.1 | 18.974 | Rigid |
| 4 | S.1-N1.15-CA.16-C.1716-15-14-0 S.17-N1.16-CA.15-C.1 | -89.116 | Rigid |
| 5 | S.1-N1.15-CA.16-CB.1918-15-14-0 S.19-N1.16-CA.15-CB.1 | 147.237 | Rigid |
| 6 | O1.2-S.1-C8.11-C7.109-10-0-1 O1.10-S.11-C8.1-C7.2 | 134.262 | Flexible |
| 7 | O1.2-S.1-C8.11-C9.1211-10-0-1 O1.12-S.11-C8.1-C9.2 | -62.893 | Flexible |
| 8 | O1.2-S.1-N1.15-CA.1615-14-0-1 O1.16-S.15-N1.1-CA.2 | -178.321 | Flexible |
| 9 | O2.3-S.1-C8.11-C7.109-10-0-2 O2.10-S.11-C8.1-C7.3 | 14.877 | Flexible |
| 10 | O2.3-S.1-C8.11-C9.1211-10-0-2 O2.12-S.11-C8.1-C9.3 | 177.722 | Flexible |
| 11 | O2.3-S.1-N1.15-CA.1615-14-0-2 O2.16-S.15-N1.1-CA.3 | -65.752 | Flexible |
| 12 | C1.4-C2.5-C3.6-C4.76-5-4-3 C1.7-C2.6-C3.5-C4.4 | -51.722 | Flexible Ring |
| 13 | C1.4-N.14-C9.12-C4.76-11-13-3 C1.7-N.12-C9.14-C4.4 | 23.962 | Rigid Ring |
| 14 | C1.4-N.14-C9.12-C8.1110-11-13-3 C1.11-N.12-C9.14-C8.4 | -166.121 | Rigid Ring |
| 15 | C2.5-C1.4-N.14-C9.1211-13-3-4 C2.12-C1.14-N.4-C9.5 | -41.821 | Flexible Ring |
| 16 | C2.5-C3.6-C4.7-C5.87-6-5-4 C2.8-C3.7-C4.6-C5.5 | -154.729 | Flexible Ring |
| 17 | C2.5-C3.6-C4.7-C9.1211-6-5-4 C2.12-C3.7-C4.6-C9.5 | 32.029 | Flexible Ring |
| 18 | C3.6-C2.5-C1.4-N.1413-3-4-5 C3.14-C2.4-C1.5-N.6 | 58.152 | Flexible Ring |
| 19 | C3.6-C4.7-C5.8-C6.98-7-6-5 C3.9-C4.8-C5.7-C6.6 | -167.811 | Rigid Ring |
| 20 | C3.6-C4.7-C9.12-C8.1110-11-6-5 C3.11-C4.12-C9.7-C8.6 | 170.333 | Rigid Ring |
| 21 | C3.6-C4.7-C9.12-N.1413-11-6-5 C3.14-C4.12-C9.7-N.6 | -19.116 | Rigid Ring |
| 22 | C4.7-C3.6-C2.5-C10.1312-4-5-6 C4.13-C3.5-C2.6-C10.7 | -175.005 | Flexible |
| 23 | C4.7-C5.8-C6.9-C7.109-8-7-6 C4.10-C5.9-C6.8-C7.7 | 2.476 | Rigid Ring |
| 24 | C4.7-C9.12-C8.11-C7.109-10-11-6 C4.10-C9.11-C8.12-C7.7 | -7.82 | Rigid Ring |
| 25 | C5.8-C4.7-C9.12-C8.1110-11-6-7 C5.11-C4.12-C9.7-C8.8 | -2.354 | Rigid Ring |
| 26 | C5.8-C4.7-C9.12-N.1413-11-6-7 C5.14-C4.12-C9.7-N.8 | 168.197 | Rigid Ring |
| 27 | C5.8-C6.9-C7.10-C8.1110-9-8-7 C5.11-C6.10-C7.9-C8.8 | -12.068 | Rigid Ring |
| 28 | C6.9-C5.8-C4.7-C9.1211-6-7-8 C6.12-C5.7-C4.8-C9.9 | 5.012 | Rigid Ring |
| 29 | C6.9-C7.10-C8.11-C9.1211-10-9-8 C6.12-C7.11-C8.10-C9.9 | 15.467 | Rigid Ring |
| 30 | C7.10-C8.11-C9.12-N.1413-11-10-9 C7.14-C8.12-C9.11-N.10 | -178.829 | Rigid Ring |
| 31 | C8.11-S.1-N1.15-CA.1615-14-0-10 C8.16-S.15-N1.1-CA.11 | 53.889 | Flexible |
| 32 | C10.13-C2.5-C1.4-N.1413-3-4-12 C10.14-C2.4-C1.5-N.13 | 178.374 | Flexible |
| 33 | N1.15-S.1-C8.11-C7.109-10-0-14 N1.10-S.11-C8.1-C7.15 | -100.586 | Flexible |
| 34 | N1.15-S.1-C8.11-C9.1211-10-0-14 N1.12-S.11-C8.1-C9.15 | 62.259 | Flexible |
| 35 | N1.15-CA.16-C.17-O.1817-16-15-14 N1.18-CA.17-C.16-O.15 | -17.303 | Flexible |
| 36 | N1.15-CA.16-C.17-N2.2625-16-15-14 N1.26-CA.17-C.16-N2.15 | 155.455 | Flexible |
| 37 | N1.15-CA.16-CB.19-CG.2019-18-15-14 N1.20-CA.19-CB.16-CG.15 | 36.691 | Flexible |
| 38 | CA.16-C.17-N2.26-C11.2726-25-16-15 CA.27-C.26-N2.17-C11.16 | -5.085 | Flexible |
| 39 | CA.16-C.17-N2.26-C51.3130-25-16-15 CA.31-C.26-N2.17-C51.16 | -178.226 | Rigid |
| 40 | CA.16-CB.19-CG.20-CD.2120-19-18-15 CA.21-CB.20-CG.19-CD.16 | 167.915 | Flexible |
| 41 | C.17-CA.16-CB.19-CG.2019-18-15-16 C.20-CA.19-CB.16-CG.17 | -85.622 | Flexible |
| 42 | C.17-N2.26-C11.27-C21.2827-26-25-16 C.28-N2.27-C11.26-C21.17 | -126.832 | Flexible |
| 43 | C.17-N2.26-C11.27-C61.3231-26-25-16 C.32-N2.27-C11.26-C61.17 | 106.44 | Flexible |
| 44 | C.17-N2.26-C51.31-C41.3029-30-25-16 C.30-N2.31-C51.26-C41.17 | 117.386 | Flexible |
| 45 | O.18-C.17-CA.16-CB.1918-15-16-17 O.19-C.16-CA.17-CB.18 | 105.641 | Flexible |
| 46 | O.18-C.17-N2.26-C11.2726-25-16-17 O.27-C.26-N2.17-C11.18 | 167.462 | Rigid |
| 47 | O.18-C.17-N2.26-C51.3130-25-16-17 O.31-C.26-N2.17-C51.18 | -5.678 | Rigid |
| 48 | CB.19-CA.16-C.17-N2.2625-16-15-18 CB.26-CA.17-C.16-N2.19 | -81.601 | Flexible |
| 49 | CB.19-CG.20-CD.21-NE.2221-20-19-18 CB.22-CG.21-CD.20-NE.19 | -179.182 | Flexible |
| 50 | CG.20-CD.21-NE.22-CZ.2322-21-20-19 CG.23-CD.22-NE.21-CZ.20 | 86.981 | Flexible |
| 51 | N2.26-C11.27-C21.28-C31.2928-27-26-25 N2.29-C11.28-C21.27-C31.26 | -50.836 | Rigid Ring |
| 52 | N2.26-C11.27-C61.32-O11.3332-31-26-25 N2.33-C11.32-C61.27-O11.26 | 161.271 | Flexible |
| 53 | N2.26-C11.27-C61.32-O21.3433-31-26-25 N2.34-C11.32-C61.27-O21.26 | -22.704 | Flexible |
| 54 | N2.26-C51.31-C41.30-C31.2928-29-30-25 N2.29-C51.30-C41.31-C31.26 | 63.432 | Rigid Ring |
| 55 | C11.27-N2.26-C51.31-C41.3029-30-25-26 C11.30-N2.31-C51.26-C41.27 | -56.218 | Flexible Ring |
| 56 | C11.27-C21.28-C31.29-C41.3029-28-27-26 C11.30-C21.29-C31.28-C41.27 | 56.457 | Rigid Ring |
| 57 | C11.27-C21.28-C31.29-C71.3534-28-27-26 C11.35-C21.29-C31.28-C71.27 | 178.089 | Rigid |
| 58 | C21.28-C11.27-N2.26-C51.3130-25-26-27 C21.31-C11.26-N2.27-C51.28 | 46.884 | Rigid Ring |
| 59 | C21.28-C11.27-C61.32-O11.3332-31-26-27 C21.33-C11.32-C61.27-O11.28 | 37.116 | Flexible |
| 60 | C21.28-C11.27-C61.32-O21.3433-31-26-27 C21.34-C11.32-C61.27-O21.28 | -146.858 | Flexible |
| 61 | C21.28-C31.29-C41.30-C51.3130-29-28-27 C21.31-C31.30-C41.29-C51.28 | -59.84 | Rigid Ring |
| 62 | C31.29-C21.28-C11.27-C61.3231-26-27-28 C31.32-C21.27-C11.28-C61.29 | 76.592 | Rigid |
| 63 | C51.31-N2.26-C11.27-C61.3231-26-25-30 C51.32-N2.27-C11.26-C61.31 | -79.844 | Rigid |
| 64 | C51.31-C41.30-C31.29-C71.3534-28-29-30 C51.35-C41.29-C31.30-C71.31 | -178.673 | Rigid |
Dihedrals Histogram