2KP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | N | sing | 1.47Å | 1.46Å | |
CA | C | sing | 1.51Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
C | O | doub | 1.21Å | 1.24Å | |
CG | CB | sing | 1.53Å | 1.51Å | |
CG | CD | sing | 1.53Å | 1.51Å | |
CD | CE | sing | 1.53Å | 1.51Å | |
CE | NZ | sing | 1.46Å | 1.48Å | |
NZ | C02 | sing | 1.35Å | 1.45Å | |
C02 | O03 | doub | 1.22Å | 1.25Å | |
C02 | C04 | sing | 1.48Å | 1.49Å | |
C10 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C09 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | BR | sing | 1.89Å | 1.94Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
N | H1 | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | H4 | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
CG | H7 | sing | 1.09Å | 1.10Å | |
CG | H8 | sing | 1.09Å | 1.10Å | |
CD | H9 | sing | 1.09Å | 1.10Å | |
CD | H10 | sing | 1.09Å | 1.10Å | |
CE | H11 | sing | 1.09Å | 1.10Å | |
CE | H12 | sing | 1.09Å | 1.10Å | |
NZ | H13 | sing | 0.97Å | 1.00Å | |
C05 | H14 | sing | 1.08Å | 1.08Å | |
C06 | H15 | sing | 1.08Å | 1.08Å | |
C09 | H16 | sing | 1.08Å | 1.08Å | |
C10 | H17 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | C | 107.3° | 109.5° |
N | CA | CB | 110.5° | 109.5° |
CA | N | H1 | 109.5° | 111.0° |
CA | N | H2 | 109.4° | 111.0° |
N | CA | H4 | 110.4° | 109.5° |
C | CA | CB | 109.5° | 109.5° |
CA | C | O | 120.7° | 120.0° |
CA | C | OXT | 115.7° | 120.0° |
C | CA | H4 | 109.8° | 109.5° |
CA | CB | CG | 113.0° | 109.5° |
CB | CA | H4 | 109.4° | 109.5° |
CA | CB | H5 | 108.6° | 109.5° |
CA | CB | H6 | 108.6° | 109.5° |
O | C | OXT | 123.6° | 120.0° |
CB | CG | CD | 111.0° | 109.5° |
CG | CB | H5 | 108.6° | 109.5° |
CG | CB | H6 | 108.6° | 109.5° |
CB | CG | H7 | 109.1° | 109.5° |
CB | CG | H8 | 109.1° | 109.5° |
CG | CD | CE | 110.5° | 109.5° |
CD | CG | H7 | 109.1° | 109.5° |
CD | CG | H8 | 109.1° | 109.4° |
CG | CD | H9 | 109.2° | 109.5° |
CG | CD | H10 | 109.2° | 109.5° |
CD | CE | NZ | 110.7° | 109.5° |
CE | CD | H9 | 109.2° | 109.5° |
CE | CD | H10 | 109.2° | 109.5° |
CD | CE | H11 | 109.1° | 109.5° |
CD | CE | H12 | 109.2° | 109.4° |
CE | NZ | C02 | 126.2° | 120.0° |
NZ | CE | H11 | 109.2° | 109.5° |
NZ | CE | H12 | 109.2° | 109.5° |
CE | NZ | H13 | 116.9° | 120.0° |
NZ | C02 | O03 | 118.1° | 120.0° |
NZ | C02 | C04 | 119.6° | 120.0° |
C02 | NZ | H13 | 116.9° | 120.0° |
O03 | C02 | C04 | 120.6° | 120.0° |
C02 | C04 | C10 | 119.6° | 120.1° |
C02 | C04 | C05 | 120.3° | 120.2° |
C04 | C10 | C09 | 120.1° | 119.8° |
C10 | C04 | C05 | 120.1° | 119.7° |
C04 | C10 | H17 | 120.0° | 120.1° |
C10 | C09 | C07 | 119.8° | 120.2° |
C10 | C09 | H16 | 120.1° | 119.9° |
C09 | C10 | H17 | 120.0° | 120.1° |
C04 | C05 | C06 | 119.9° | 119.9° |
C04 | C05 | H14 | 120.1° | 120.0° |
C09 | C07 | C06 | 120.3° | 120.2° |
C09 | C07 | BR | 119.7° | 119.9° |
C07 | C09 | H16 | 120.1° | 119.9° |
C05 | C06 | C07 | 119.9° | 120.2° |
C06 | C05 | H14 | 120.1° | 120.1° |
C05 | C06 | H15 | 120.1° | 119.9° |
C06 | C07 | BR | 120.0° | 119.9° |
C07 | C06 | H15 | 120.1° | 119.9° |
C | OXT | HXT | 109.5° | 117.0° |
H1 | N | H2 | 109.4° | 111.0° |
H5 | CB | H6 | 109.4° | 109.4° |
H7 | CG | H8 | 109.5° | 109.5° |
H9 | CD | H10 | 109.5° | 109.4° |
H11 | CE | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | CA | C | CB | 120.0° | 120.0° |
N | CA | C | H4 | 120.0° | 120.0° |
N | CA | CB | H4 | 121.7° | 120.0° |
N | CA | C | O | 48.5° | 20.0° |
N | CA | CB | CG | 62.9° | 65.0° |
N | CA | C | OXT | 131.7° | 160.0° |
CA | N | H1 | H2 | 120.0° | 124.0° |
N | CA | CB | H5 | 57.6° | 55.0° |
N | CA | CB | H6 | 176.5° | 175.0° |
C | CA | CB | H4 | 120.3° | 120.0° |
CA | C | O | OXT | 179.8° | 180.0° |
C | CA | CB | CG | 179.1° | 175.0° |
C | CA | N | H1 | 180.0° | 63.9° |
C | CA | N | H2 | 60.0° | 60.0° |
C | CA | CB | H5 | 60.3° | 65.0° |
C | CA | CB | H6 | 58.6° | 55.0° |
CA | C | OXT | HXT | 179.8° | 180.0° |
CB | CA | C | O | 71.5° | 100.0° |
CA | CB | CG | H5 | 120.5° | 120.1° |
CA | CB | CG | H6 | 120.6° | 120.0° |
CA | CB | CG | CD | 154.6° | 180.0° |
CB | CA | C | OXT | 108.4° | 80.0° |
CB | CA | N | H1 | 60.7° | 176.1° |
CB | CA | N | H2 | 179.3° | 60.0° |
CA | CB | H5 | H6 | 118.4° | 120.0° |
CA | CB | CG | H7 | 34.4° | 60.0° |
CA | CB | CG | H8 | 85.2° | 60.1° |
O | C | CA | H4 | 168.5° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
CB | CG | CD | H7 | 120.2° | 120.0° |
CB | CG | CD | H8 | 120.2° | 120.0° |
CB | CG | CD | CE | 67.0° | 180.0° |
CG | CB | CA | H4 | 58.8° | 55.0° |
CG | CB | H5 | H6 | 118.4° | 120.0° |
CB | CG | H7 | H8 | 119.3° | 120.0° |
CB | CG | CD | H9 | 53.1° | 59.9° |
CB | CG | CD | H10 | 172.8° | 60.0° |
CG | CD | CE | H9 | 120.1° | 120.0° |
CG | CD | CE | H10 | 120.2° | 120.0° |
CG | CD | CE | NZ | 66.5° | 180.0° |
CD | CG | CB | H5 | 84.8° | 59.9° |
CD | CG | CB | H6 | 34.1° | 60.0° |
CD | CG | H7 | H8 | 119.3° | 120.0° |
CG | CD | H9 | H10 | 119.5° | 120.0° |
CG | CD | CE | H11 | 53.7° | 60.0° |
CG | CD | CE | H12 | 173.3° | 60.0° |
CD | CE | NZ | H11 | 120.2° | 120.0° |
CD | CE | NZ | H12 | 120.2° | 120.0° |
CD | CE | NZ | C02 | 110.6° | 180.0° |
CE | CD | CG | H7 | 172.8° | 60.0° |
CE | CD | CG | H8 | 53.2° | 60.0° |
CE | CD | H9 | H10 | 119.6° | 120.0° |
CD | CE | H11 | H12 | 119.4° | 120.0° |
CD | CE | NZ | H13 | 69.4° | 0.1° |
CE | NZ | C02 | H13 | 180.0° | 180.0° |
CE | NZ | C02 | O03 | 11.4° | 0.0° |
CE | NZ | C02 | C04 | 176.7° | 180.0° |
NZ | CE | CD | H9 | 173.3° | 60.0° |
NZ | CE | CD | H10 | 53.6° | 60.0° |
NZ | CE | H11 | H12 | 119.4° | 120.0° |
NZ | C02 | O03 | C04 | 165.1° | 180.0° |
NZ | C02 | C04 | C10 | 7.3° | 0.3° |
NZ | C02 | C04 | C05 | 172.7° | 180.0° |
C02 | NZ | CE | H11 | 9.6° | 60.0° |
C02 | NZ | CE | H12 | 129.2° | 60.0° |
O03 | C02 | C04 | C10 | 172.2° | 179.7° |
O03 | C02 | C04 | C05 | 7.8° | 0.0° |
O03 | C02 | NZ | H13 | 168.6° | 180.0° |
C02 | C04 | C10 | C05 | 180.0° | 179.7° |
C02 | C04 | C10 | C09 | 180.0° | 179.8° |
C02 | C04 | C05 | C06 | 179.9° | 180.0° |
C04 | C02 | NZ | H13 | 3.3° | 0.0° |
C02 | C04 | C05 | H14 | 0.1° | 0.0° |
C02 | C04 | C10 | H17 | 0.0° | 0.0° |
C04 | C10 | C09 | H17 | 180.0° | 179.8° |
C04 | C10 | C09 | C07 | 0.1° | 0.5° |
C10 | C04 | C05 | C06 | 0.1° | 0.3° |
C10 | C04 | C05 | H14 | 179.9° | 179.7° |
C04 | C10 | C09 | H16 | 180.0° | 179.7° |
C09 | C10 | C04 | C05 | 0.0° | 0.5° |
C10 | C09 | C07 | H16 | 180.0° | 179.8° |
C10 | C09 | C07 | C06 | 0.2° | 0.3° |
C10 | C09 | C07 | BR | 180.0° | 179.8° |
C04 | C05 | C06 | H14 | 180.0° | 180.0° |
C04 | C05 | C06 | C07 | 0.3° | 0.0° |
C04 | C05 | C06 | H15 | 179.8° | 179.9° |
C05 | C04 | C10 | H17 | 180.0° | 179.7° |
C09 | C07 | C06 | C05 | 0.3° | 0.0° |
C09 | C07 | C06 | BR | 179.8° | 179.9° |
C09 | C07 | C06 | H15 | 179.7° | 179.9° |
C07 | C09 | C10 | H17 | 180.0° | 179.7° |
C05 | C06 | C07 | H15 | 180.0° | 179.9° |
C05 | C06 | C07 | BR | 179.9° | 180.0° |
C07 | C06 | C05 | H14 | 179.7° | 180.0° |
C06 | C07 | C09 | H16 | 179.8° | 180.0° |
BR | C07 | C06 | H15 | 0.1° | 0.1° |
BR | C07 | C09 | H16 | 0.0° | 0.0° |
OXT | C | CA | H4 | 11.7° | 40.0° |
H1 | N | CA | H4 | 60.4° | 56.1° |
H2 | N | CA | H4 | 59.5° | 180.0° |
H4 | CA | CB | H5 | 179.3° | 175.0° |
H4 | CA | CB | H6 | 61.7° | 65.0° |
H5 | CB | CG | H7 | 155.0° | 179.9° |
H5 | CB | CG | H8 | 35.4° | 60.0° |
H6 | CB | CG | H7 | 86.1° | 60.0° |
H6 | CB | CG | H8 | 154.3° | 179.9° |
H7 | CG | CD | H9 | 67.1° | 180.0° |
H7 | CG | CD | H10 | 52.6° | 60.0° |
H8 | CG | CD | H9 | 173.3° | 60.0° |
H8 | CG | CD | H10 | 67.0° | 180.0° |
H9 | CD | CE | H11 | 66.4° | 180.0° |
H9 | CD | CE | H12 | 53.2° | 60.0° |
H10 | CD | CE | H11 | 173.9° | 60.0° |
H10 | CD | CE | H12 | 66.5° | 180.0° |
H11 | CE | NZ | H13 | 170.4° | 119.9° |
H12 | CE | NZ | H13 | 50.8° | 120.0° |
H14 | C05 | C06 | H15 | 0.2° | 0.1° |
H16 | C09 | C10 | H17 | 0.0° | 0.0° |