R6E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.40Å | |
C | CA | sing | 1.51Å | 1.53Å | |
CG2 | CB2 | sing | 1.53Å | 1.53Å | |
CG | CD | sing | 1.53Å | 1.52Å | |
CG | CB | sing | 1.53Å | 1.52Å | |
CB2 | CA | sing | 1.53Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | N | sing | 1.47Å | 1.46Å | |
CD | CE | sing | 1.53Å | 1.52Å | |
CZ | CH | sing | 1.53Å | 1.52Å | |
CZ | CE | sing | 1.53Å | 1.52Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CB | H7 | sing | 1.09Å | 1.10Å | |
CB | H8 | sing | 1.09Å | 1.10Å | |
CB2 | H9 | sing | 1.09Å | 1.10Å | |
CB2 | H10 | sing | 1.09Å | 1.10Å | |
CG | H11 | sing | 1.09Å | 1.10Å | |
CG | H12 | sing | 1.09Å | 1.10Å | |
CG2 | H13 | sing | 1.09Å | 1.10Å | |
CG2 | H14 | sing | 1.09Å | 1.10Å | |
CG2 | H15 | sing | 1.09Å | 1.10Å | |
CD | H16 | sing | 1.09Å | 1.10Å | |
CD | H17 | sing | 1.09Å | 1.10Å | |
CE | H18 | sing | 1.09Å | 1.10Å | |
CE | H19 | sing | 1.09Å | 1.10Å | |
CZ | H20 | sing | 1.09Å | 1.10Å | |
CZ | H21 | sing | 1.09Å | 1.10Å | |
CH | H22 | sing | 1.09Å | 1.10Å | |
CH | H23 | sing | 1.09Å | 1.10Å | |
CH | H24 | sing | 1.09Å | 1.10Å | |
C | OXT | sing | 1.34Å | 1.25Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 113.9° | 120.0° |
O | C | OXT | 130.7° | 120.0° |
C | CA | CB2 | 108.5° | 109.4° |
C | CA | CB | 113.1° | 109.5° |
C | CA | N | 108.1° | 109.5° |
CA | C | OXT | 115.3° | 120.0° |
CG2 | CB2 | CA | 111.8° | 109.5° |
CG2 | CB2 | H9 | 108.9° | 109.5° |
CG2 | CB2 | H10 | 108.9° | 109.5° |
CB2 | CG2 | H13 | 109.5° | 109.5° |
CB2 | CG2 | H14 | 109.5° | 109.5° |
CB2 | CG2 | H15 | 109.5° | 109.5° |
CD | CG | CB | 112.0° | 109.5° |
CG | CD | CE | 113.0° | 109.5° |
CD | CG | H11 | 108.8° | 109.5° |
CD | CG | H12 | 108.8° | 109.5° |
CG | CD | H16 | 108.6° | 109.5° |
CG | CD | H17 | 108.6° | 109.5° |
CG | CB | CA | 113.6° | 109.5° |
CG | CB | H7 | 108.4° | 109.5° |
CG | CB | H8 | 108.4° | 109.4° |
CB | CG | H11 | 108.8° | 109.5° |
CB | CG | H12 | 108.8° | 109.4° |
CB2 | CA | CB | 107.1° | 109.5° |
CB2 | CA | N | 110.7° | 109.5° |
CA | CB2 | H9 | 108.9° | 109.4° |
CA | CB2 | H10 | 108.9° | 109.5° |
CB | CA | N | 109.4° | 109.5° |
CA | CB | H7 | 108.4° | 109.5° |
CA | CB | H8 | 108.5° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
CD | CE | CZ | 110.8° | 109.5° |
CE | CD | H16 | 108.6° | 109.4° |
CE | CD | H17 | 108.6° | 109.5° |
CD | CE | H18 | 109.1° | 109.4° |
CD | CE | H19 | 109.1° | 109.5° |
CH | CZ | CE | 111.6° | 109.5° |
CH | CZ | H20 | 108.9° | 109.5° |
CH | CZ | H21 | 108.9° | 109.5° |
CZ | CH | H22 | 109.5° | 109.5° |
CZ | CH | H23 | 109.4° | 109.5° |
CZ | CH | H24 | 109.5° | 109.5° |
CZ | CE | H18 | 109.1° | 109.4° |
CZ | CE | H19 | 109.1° | 109.5° |
CE | CZ | H20 | 108.9° | 109.5° |
CE | CZ | H21 | 109.0° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
H7 | CB | H8 | 109.5° | 109.5° |
H9 | CB2 | H10 | 109.5° | 109.5° |
H11 | CG | H12 | 109.5° | 109.4° |
H13 | CG2 | H14 | 109.4° | 109.5° |
H13 | CG2 | H15 | 109.5° | 109.5° |
H14 | CG2 | H15 | 109.5° | 109.4° |
H16 | CD | H17 | 109.5° | 109.4° |
H18 | CE | H19 | 109.5° | 109.5° |
H20 | CZ | H21 | 109.5° | 109.5° |
H22 | CH | H23 | 109.5° | 109.4° |
H22 | CH | H24 | 109.5° | 109.5° |
H23 | CH | H24 | 109.5° | 109.4° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 176.8° | 179.9° |
O | C | CA | CB2 | 126.7° | 95.0° |
O | C | CA | CB | 8.0° | 25.0° |
O | C | CA | N | 113.2° | 145.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
C | CA | CB2 | CG2 | 55.1° | 60.0° |
C | CA | CB | CG | 2.7° | 180.0° |
C | CA | CB2 | CB | 122.4° | 120.0° |
C | CA | CB2 | N | 118.4° | 120.0° |
C | CA | CB | N | 120.5° | 120.0° |
C | CA | N | H | 180.0° | 60.0° |
C | CA | N | H2 | 60.0° | 64.0° |
C | CA | CB | H7 | 117.9° | 60.0° |
C | CA | CB | H8 | 123.3° | 60.1° |
C | CA | CB2 | H9 | 65.2° | 180.0° |
C | CA | CB2 | H10 | 175.5° | 60.0° |
CA | C | OXT | HXT | 176.2° | 180.0° |
CG2 | CB2 | CA | H9 | 120.3° | 120.0° |
CG2 | CB2 | CA | H10 | 120.4° | 120.1° |
CG2 | CB2 | CA | CB | 67.3° | 59.9° |
CG2 | CB2 | CA | N | 173.6° | 180.0° |
CG2 | CB2 | H9 | H10 | 119.0° | 120.0° |
CB2 | CG2 | H13 | H14 | 120.0° | 120.0° |
CB2 | CG2 | H13 | H15 | 120.0° | 120.0° |
CB2 | CG2 | H14 | H15 | 120.0° | 120.0° |
CD | CG | CB | H11 | 120.4° | 120.0° |
CD | CG | CB | H12 | 120.4° | 120.1° |
CD | CG | CB | CA | 149.7° | 180.0° |
CG | CD | CE | H16 | 120.5° | 120.0° |
CG | CD | CE | H17 | 120.5° | 120.1° |
CG | CD | CE | CZ | 129.8° | 180.0° |
CD | CG | CB | H7 | 89.7° | 60.0° |
CD | CG | CB | H8 | 29.1° | 60.0° |
CD | CG | H11 | H12 | 118.8° | 120.0° |
CG | CD | H16 | H17 | 118.4° | 120.1° |
CG | CD | CE | H18 | 9.6° | 60.1° |
CG | CD | CE | H19 | 110.0° | 60.0° |
CG | CB | CA | CB2 | 122.2° | 60.1° |
CG | CB | CA | H7 | 120.6° | 120.0° |
CG | CB | CA | H8 | 120.6° | 119.9° |
CG | CB | CA | N | 117.8° | 60.0° |
CB | CG | CD | CE | 60.6° | 180.0° |
CG | CB | H7 | H8 | 118.1° | 119.9° |
CB | CG | H11 | H12 | 118.8° | 119.9° |
CB | CG | CD | H16 | 59.9° | 60.0° |
CB | CG | CD | H17 | 178.9° | 60.0° |
CB2 | CA | CB | N | 120.0° | 120.1° |
CB2 | CA | N | H | 61.3° | 180.0° |
CB2 | CA | N | H2 | 178.7° | 56.0° |
CB2 | CA | CB | H7 | 1.6° | 59.9° |
CB2 | CA | CB | H8 | 117.2° | 180.0° |
CA | CB2 | H9 | H10 | 118.9° | 120.0° |
CA | CB2 | CG2 | H13 | 180.0° | 60.1° |
CA | CB2 | CG2 | H14 | 60.0° | 60.0° |
CA | CB2 | CG2 | H15 | 60.0° | 179.9° |
CB2 | CA | C | OXT | 50.2° | 85.0° |
CB | CA | N | H | 56.5° | 60.0° |
CB | CA | N | H2 | 63.6° | 176.0° |
CA | CB | H7 | H8 | 118.1° | 120.1° |
CB | CA | CB2 | H9 | 172.4° | 60.0° |
CB | CA | CB2 | H10 | 53.1° | 180.0° |
CA | CB | CG | H11 | 29.3° | 59.9° |
CA | CB | CG | H12 | 89.9° | 60.0° |
CB | CA | C | OXT | 168.8° | 155.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | H7 | 121.6° | 180.0° |
N | CA | CB | H8 | 2.8° | 59.9° |
N | CA | CB2 | H9 | 53.2° | 60.0° |
N | CA | CB2 | H10 | 66.1° | 59.9° |
N | CA | C | OXT | 69.9° | 35.0° |
CD | CE | CZ | CH | 131.1° | 180.0° |
CD | CE | CZ | H18 | 120.2° | 119.9° |
CD | CE | CZ | H19 | 120.2° | 120.0° |
CE | CD | CG | H11 | 59.8° | 60.0° |
CE | CD | CG | H12 | 179.0° | 59.9° |
CE | CD | H16 | H17 | 118.4° | 120.0° |
CD | CE | H18 | H19 | 119.4° | 120.0° |
CD | CE | CZ | H20 | 10.8° | 60.1° |
CD | CE | CZ | H21 | 108.6° | 60.0° |
CH | CZ | CE | H20 | 120.3° | 120.0° |
CH | CZ | CE | H21 | 120.3° | 120.0° |
CH | CZ | CE | H18 | 10.9° | 60.1° |
CH | CZ | CE | H19 | 108.7° | 60.0° |
CH | CZ | H20 | H21 | 119.0° | 120.0° |
CZ | CH | H22 | H23 | 120.0° | 120.0° |
CZ | CH | H22 | H24 | 120.0° | 120.0° |
CZ | CH | H23 | H24 | 120.0° | 120.0° |
CZ | CE | CD | H16 | 109.7° | 60.0° |
CZ | CE | CD | H17 | 9.3° | 59.9° |
CZ | CE | H18 | H19 | 119.4° | 120.0° |
CE | CZ | H20 | H21 | 119.1° | 120.0° |
CE | CZ | CH | H22 | 180.0° | 60.0° |
CE | CZ | CH | H23 | 60.0° | 60.0° |
CE | CZ | CH | H24 | 60.0° | 180.0° |
H7 | CB | CG | H11 | 149.9° | 180.0° |
H7 | CB | CG | H12 | 30.7° | 60.1° |
H8 | CB | CG | H11 | 91.3° | 60.0° |
H8 | CB | CG | H12 | 149.4° | 179.9° |
H9 | CB2 | CG2 | H13 | 59.6° | 180.0° |
H9 | CB2 | CG2 | H14 | 60.3° | 60.0° |
H9 | CB2 | CG2 | H15 | 179.7° | 60.0° |
H10 | CB2 | CG2 | H13 | 59.7° | 60.0° |
H10 | CB2 | CG2 | H14 | 179.7° | 180.0° |
H10 | CB2 | CG2 | H15 | 60.3° | 60.0° |
H11 | CG | CD | H16 | 179.7° | 180.0° |
H11 | CG | CD | H17 | 60.7° | 60.0° |
H12 | CG | CD | H16 | 60.5° | 60.0° |
H12 | CG | CD | H17 | 58.5° | 180.0° |
H13 | CG2 | H14 | H15 | 120.0° | 120.0° |
H16 | CD | CE | H18 | 130.1° | 180.0° |
H16 | CD | CE | H19 | 10.5° | 60.0° |
H17 | CD | CE | H18 | 110.9° | 60.0° |
H17 | CD | CE | H19 | 129.5° | 179.9° |
H18 | CE | CZ | H20 | 109.4° | 180.0° |
H18 | CE | CZ | H21 | 131.2° | 59.9° |
H19 | CE | CZ | H20 | 131.0° | 60.0° |
H19 | CE | CZ | H21 | 11.6° | 180.0° |
H20 | CZ | CH | H22 | 59.7° | 180.0° |
H20 | CZ | CH | H23 | 60.3° | 60.0° |
H20 | CZ | CH | H24 | 179.7° | 60.0° |
H21 | CZ | CH | H22 | 59.7° | 60.0° |
H21 | CZ | CH | H23 | 179.7° | 180.0° |
H21 | CZ | CH | H24 | 60.3° | 60.0° |
H22 | CH | H23 | H24 | 120.0° | 120.0° |