M3L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.47Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
CB | CG | sing | 1.53Å | 1.54Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CB | HB3 | sing | 1.09Å | 1.11Å | |
CG | CD | sing | 1.53Å | 1.59Å | |
CG | HG2 | sing | 1.09Å | 1.12Å | |
CG | HG3 | sing | 1.09Å | 1.11Å | |
CD | CE | sing | 1.53Å | 1.53Å | |
CD | HD2 | sing | 1.09Å | 1.11Å | |
CD | HD3 | sing | 1.09Å | 1.12Å | |
CE | NZ | sing | 1.47Å | 1.50Å | |
CE | HE2 | sing | 1.09Å | 1.11Å | |
CE | HE3 | sing | 1.09Å | 1.11Å | |
NZ | CM1 | sing | 1.47Å | 1.50Å | |
NZ | CM2 | sing | 1.47Å | 1.50Å | |
NZ | CM3 | sing | 1.47Å | 1.49Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.28Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
CM1 | HM11 | sing | 1.09Å | 1.11Å | |
CM1 | HM12 | sing | 1.09Å | 1.12Å | |
CM1 | HM13 | sing | 1.09Å | 1.12Å | |
CM2 | HM21 | sing | 1.09Å | 1.11Å | |
CM2 | HM22 | sing | 1.09Å | 1.12Å | |
CM2 | HM23 | sing | 1.09Å | 1.12Å | |
CM3 | HM31 | sing | 1.09Å | 1.11Å | |
CM3 | HM32 | sing | 1.09Å | 1.12Å | |
CM3 | HM33 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 113.9° | 106.7° |
CA | N | H2 | 110.6° | 106.7° |
N | CA | CB | 113.9° | 109.5° |
N | CA | C | 114.0° | 109.5° |
N | CA | HA | 103.5° | 109.5° |
H | N | H2 | 110.5° | 106.7° |
CB | CA | C | 111.2° | 109.5° |
CB | CA | HA | 106.7° | 109.5° |
CA | CB | CG | 111.4° | 109.5° |
CA | CB | HB2 | 111.5° | 109.5° |
CA | CB | HB3 | 111.5° | 109.5° |
C | CA | HA | 106.7° | 109.4° |
CA | C | O | 118.3° | 120.0° |
CA | C | OXT | 114.4° | 120.0° |
CG | CB | HB2 | 111.6° | 109.5° |
CG | CB | HB3 | 111.5° | 109.5° |
CB | CG | CD | 103.6° | 109.5° |
CB | CG | HG2 | 114.4° | 109.4° |
CB | CG | HG3 | 114.4° | 109.5° |
HB2 | CB | HB3 | 98.9° | 109.5° |
CD | CG | HG2 | 114.5° | 109.5° |
CD | CG | HG3 | 114.5° | 109.5° |
CG | CD | CE | 107.0° | 109.5° |
CG | CD | HD2 | 113.1° | 109.5° |
CG | CD | HD3 | 113.1° | 109.5° |
HG2 | CG | HG3 | 96.1° | 109.5° |
CE | CD | HD2 | 113.2° | 109.5° |
CE | CD | HD3 | 113.2° | 109.5° |
CD | CE | NZ | 110.8° | 109.5° |
CD | CE | HE2 | 111.7° | 109.4° |
CD | CE | HE3 | 111.7° | 109.4° |
HD2 | CD | HD3 | 97.3° | 109.5° |
NZ | CE | HE2 | 111.8° | 109.6° |
NZ | CE | HE3 | 111.8° | 109.5° |
CE | NZ | CM1 | 102.8° | 109.5° |
CE | NZ | CM2 | 115.9° | 109.5° |
CE | NZ | CM3 | 107.9° | 109.4° |
HE2 | CE | HE3 | 98.6° | 109.5° |
CM1 | NZ | CM2 | 105.7° | 109.5° |
CM1 | NZ | CM3 | 113.2° | 109.4° |
NZ | CM1 | HM11 | 102.8° | 109.4° |
NZ | CM1 | HM12 | 114.7° | 109.5° |
NZ | CM1 | HM13 | 114.8° | 109.5° |
CM2 | NZ | CM3 | 111.2° | 109.5° |
NZ | CM2 | HM21 | 115.9° | 109.5° |
NZ | CM2 | HM22 | 109.8° | 109.4° |
NZ | CM2 | HM23 | 109.8° | 109.4° |
NZ | CM3 | HM31 | 107.9° | 109.4° |
NZ | CM3 | HM32 | 112.8° | 109.5° |
NZ | CM3 | HM33 | 112.8° | 109.5° |
O | C | OXT | 127.3° | 120.0° |
C | OXT | HXT | 114.3° | 120.0° |
HM11 | CM1 | HM12 | 114.8° | 109.5° |
HM11 | CM1 | HM13 | 114.8° | 109.4° |
HM12 | CM1 | HM13 | 95.7° | 109.5° |
HM21 | CM2 | HM22 | 109.9° | 109.5° |
HM21 | CM2 | HM23 | 109.9° | 109.5° |
HM22 | CM2 | HM23 | 100.3° | 109.5° |
HM31 | CM3 | HM32 | 112.8° | 109.5° |
HM31 | CM3 | HM33 | 112.8° | 109.5° |
HM32 | CM3 | HM33 | 97.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 125.2° | 113.8° |
N | CA | CB | C | 130.5° | 120.0° |
N | CA | CB | HA | 113.5° | 120.0° |
N | CA | C | HA | 113.5° | 120.0° |
N | CA | CB | CG | 51.8° | 65.0° |
N | CA | CB | HB2 | 73.5° | 175.0° |
N | CA | CB | HB3 | 177.0° | 55.0° |
N | CA | C | O | 159.4° | 20.1° |
N | CA | C | OXT | 22.5° | 160.0° |
H | N | CA | CB | 180.0° | 60.0° |
H | N | CA | C | 50.9° | 60.0° |
H | N | CA | HA | 64.6° | 179.9° |
H2 | N | CA | CB | 54.8° | 53.8° |
H2 | N | CA | C | 176.1° | 173.8° |
H2 | N | CA | HA | 60.7° | 66.3° |
CB | CA | C | HA | 116.0° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | CG | HB3 | 125.3° | 120.0° |
CA | CB | HB2 | HB3 | 117.4° | 120.0° |
CA | CB | CG | CD | 146.3° | 180.0° |
CA | CB | CG | HG2 | 21.1° | 60.0° |
CA | CB | CG | HG3 | 88.4° | 60.0° |
CB | CA | C | O | 70.1° | 100.0° |
CB | CA | C | OXT | 108.0° | 80.0° |
C | CA | CB | CG | 177.7° | 175.0° |
C | CA | CB | HB2 | 57.0° | 55.0° |
C | CA | CB | HB3 | 52.5° | 65.0° |
CA | C | O | OXT | 177.8° | 179.9° |
CA | C | OXT | HXT | 180.0° | 180.0° |
HA | CA | CB | CG | 61.8° | 55.0° |
HA | CA | CB | HB2 | 173.0° | 65.0° |
HA | CA | CB | HB3 | 63.5° | 175.0° |
HA | CA | C | O | 45.9° | 140.0° |
HA | CA | C | OXT | 136.0° | 40.0° |
CG | CB | HB2 | HB3 | 117.4° | 120.0° |
CB | CG | CD | HG2 | 125.2° | 119.9° |
CB | CG | CD | HG3 | 125.2° | 120.0° |
CB | CG | HG2 | HG3 | 120.3° | 120.0° |
CB | CG | CD | CE | 156.7° | 180.0° |
CB | CG | CD | HD2 | 78.0° | 60.0° |
CB | CG | CD | HD3 | 31.4° | 59.9° |
HB2 | CB | CG | CD | 88.4° | 60.0° |
HB2 | CB | CG | HG2 | 146.3° | 180.0° |
HB2 | CB | CG | HG3 | 36.9° | 60.0° |
HB3 | CB | CG | CD | 21.1° | 60.0° |
HB3 | CB | CG | HG2 | 104.2° | 60.0° |
HB3 | CB | CG | HG3 | 146.3° | 180.0° |
CD | CG | HG2 | HG3 | 120.4° | 120.1° |
CG | CD | CE | HD2 | 125.3° | 120.0° |
CG | CD | CE | HD3 | 125.2° | 120.0° |
CG | CD | HD2 | HD3 | 119.0° | 120.0° |
CG | CD | CE | NZ | 147.6° | 180.0° |
CG | CD | CE | HE2 | 87.1° | 59.9° |
CG | CD | CE | HE3 | 22.3° | 60.0° |
HG2 | CG | CD | CE | 31.5° | 60.0° |
HG2 | CG | CD | HD2 | 156.8° | 180.0° |
HG2 | CG | CD | HD3 | 93.8° | 60.0° |
HG3 | CG | CD | CE | 78.1° | 60.0° |
HG3 | CG | CD | HD2 | 47.2° | 60.0° |
HG3 | CG | CD | HD3 | 156.7° | 179.9° |
CE | CD | HD2 | HD3 | 119.1° | 120.0° |
CD | CE | NZ | HE2 | 125.3° | 120.0° |
CD | CE | NZ | HE3 | 125.3° | 119.9° |
CD | CE | HE2 | HE3 | 117.6° | 119.9° |
CD | CE | NZ | CM1 | 85.2° | 60.0° |
CD | CE | NZ | CM2 | 160.1° | 60.0° |
CD | CE | NZ | CM3 | 34.7° | 180.0° |
HD2 | CD | CE | NZ | 22.4° | 60.0° |
HD2 | CD | CE | HE2 | 147.7° | 179.9° |
HD2 | CD | CE | HE3 | 103.0° | 60.0° |
HD3 | CD | CE | NZ | 87.2° | 60.0° |
HD3 | CD | CE | HE2 | 38.2° | 60.1° |
HD3 | CD | CE | HE3 | 147.5° | 180.0° |
NZ | CE | HE2 | HE3 | 117.7° | 120.1° |
CE | NZ | CM1 | CM2 | 121.9° | 120.0° |
CE | NZ | CM1 | CM3 | 116.1° | 120.0° |
CE | NZ | CM2 | CM3 | 123.7° | 120.0° |
CE | NZ | CM1 | HM11 | 180.0° | 60.1° |
CE | NZ | CM1 | HM12 | 54.7° | 59.9° |
CE | NZ | CM1 | HM13 | 54.7° | 180.0° |
CE | NZ | CM2 | HM21 | 180.0° | 180.0° |
CE | NZ | CM2 | HM22 | 54.7° | 60.0° |
CE | NZ | CM2 | HM23 | 54.7° | 60.0° |
CE | NZ | CM3 | HM31 | 180.0° | 60.0° |
CE | NZ | CM3 | HM32 | 54.7° | 60.0° |
CE | NZ | CM3 | HM33 | 54.7° | 180.0° |
HE2 | CE | NZ | CM1 | 40.0° | 180.0° |
HE2 | CE | NZ | CM2 | 74.7° | 60.0° |
HE2 | CE | NZ | CM3 | 159.9° | 60.0° |
HE3 | CE | NZ | CM1 | 149.5° | 59.9° |
HE3 | CE | NZ | CM2 | 34.8° | 180.0° |
HE3 | CE | NZ | CM3 | 90.6° | 60.0° |
CM1 | NZ | CM2 | CM3 | 123.2° | 120.0° |
NZ | CM1 | HM11 | HM12 | 125.2° | 120.0° |
NZ | CM1 | HM11 | HM13 | 125.3° | 119.9° |
NZ | CM1 | HM12 | HM13 | 120.6° | 120.0° |
CM1 | NZ | CM2 | HM21 | 67.0° | 60.0° |
CM1 | NZ | CM2 | HM22 | 58.3° | 180.0° |
CM1 | NZ | CM2 | HM23 | 167.8° | 60.0° |
CM1 | NZ | CM3 | HM31 | 66.9° | 60.0° |
CM1 | NZ | CM3 | HM32 | 167.8° | 180.0° |
CM1 | NZ | CM3 | HM33 | 58.4° | 60.0° |
CM2 | NZ | CM1 | HM11 | 58.1° | 60.0° |
CM2 | NZ | CM1 | HM12 | 176.6° | 180.0° |
CM2 | NZ | CM1 | HM13 | 67.2° | 59.9° |
NZ | CM2 | HM21 | HM22 | 125.2° | 120.0° |
NZ | CM2 | HM21 | HM23 | 125.2° | 120.0° |
NZ | CM2 | HM22 | HM23 | 115.6° | 120.0° |
CM2 | NZ | CM3 | HM31 | 51.9° | 180.0° |
CM2 | NZ | CM3 | HM32 | 73.5° | 60.0° |
CM2 | NZ | CM3 | HM33 | 177.2° | 60.0° |
CM3 | NZ | CM1 | HM11 | 63.8° | 180.0° |
CM3 | NZ | CM1 | HM12 | 61.5° | 60.0° |
CM3 | NZ | CM1 | HM13 | 170.8° | 60.1° |
CM3 | NZ | CM2 | HM21 | 56.3° | 60.0° |
CM3 | NZ | CM2 | HM22 | 178.4° | 60.0° |
CM3 | NZ | CM2 | HM23 | 69.0° | 180.0° |
NZ | CM3 | HM31 | HM32 | 125.3° | 120.0° |
NZ | CM3 | HM31 | HM33 | 125.3° | 120.0° |
NZ | CM3 | HM32 | HM33 | 118.7° | 120.0° |
O | C | OXT | HXT | 2.1° | 0.1° |
HM11 | CM1 | HM12 | HM13 | 120.6° | 120.0° |
HM21 | CM2 | HM22 | HM23 | 115.8° | 120.1° |
HM31 | CM3 | HM32 | HM33 | 118.7° | 120.0° |