01N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.22Å | |
C | CA | sing | 1.51Å | 1.52Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | N | sing | 1.47Å | 1.48Å | |
CA | H13 | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | H141 | sing | 1.09Å | 1.10Å | |
CB | H142 | sing | 1.09Å | 1.10Å | |
CG | CD1 | sing | 1.53Å | 1.54Å | |
CG | CD2 | sing | 1.53Å | 1.55Å | |
CG | H15 | sing | 1.09Å | 1.10Å | |
CD1 | CE1 | sing | 1.53Å | 1.55Å | |
CD1 | H161 | sing | 1.09Å | 1.10Å | |
CD1 | H162 | sing | 1.09Å | 1.10Å | |
CE1 | CZ | sing | 1.53Å | 1.55Å | |
CE1 | H171 | sing | 1.09Å | 1.10Å | |
CE1 | H172 | sing | 1.09Å | 1.10Å | |
CZ | CE2 | sing | 1.53Å | 1.55Å | |
CZ | H181 | sing | 1.09Å | 1.10Å | |
CZ | H182 | sing | 1.09Å | 1.10Å | |
CE2 | CD2 | sing | 1.53Å | 1.55Å | |
CE2 | H191 | sing | 1.09Å | 1.10Å | |
CE2 | H192 | sing | 1.09Å | 1.10Å | |
CD2 | H201 | sing | 1.09Å | 1.10Å | |
CD2 | H202 | sing | 1.09Å | 1.10Å | |
N | C1 | sing | 1.47Å | 1.47Å | |
N | H5 | sing | 1.01Å | 1.00Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C1 | H211 | sing | 1.09Å | 1.10Å | |
C1 | H212 | sing | 1.09Å | 1.10Å | |
C2 | O21 | sing | 1.34Å | 1.22Å | |
C2 | O22 | doub | 1.21Å | 1.23Å | |
O21 | HO2 | sing | 0.97Å | 0.95Å | |
C | OXT | sing | 1.34Å | 34.70Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 118.6° | 120.0° |
O | C | OXT | 102.4° | 120.0° |
C | CA | CB | 110.5° | 109.4° |
C | CA | N | 107.2° | 109.4° |
C | CA | H13 | 110.6° | 109.5° |
CA | C | OXT | 76.5° | 120.0° |
CB | CA | N | 110.2° | 109.5° |
CB | CA | H13 | 107.5° | 109.5° |
CA | CB | CG | 111.5° | 109.4° |
CA | CB | H141 | 108.8° | 109.5° |
CA | CB | H142 | 108.8° | 109.5° |
N | CA | H13 | 110.9° | 109.5° |
CA | N | C1 | 111.9° | 111.0° |
CA | N | H5 | 108.7° | 111.0° |
CG | CB | H141 | 108.8° | 109.5° |
CG | CB | H142 | 108.8° | 109.4° |
CB | CG | CD1 | 109.7° | 109.4° |
CB | CG | CD2 | 110.3° | 109.5° |
CB | CG | H15 | 108.7° | 109.5° |
H141 | CB | H142 | 110.2° | 109.5° |
CD1 | CG | CD2 | 109.4° | 109.5° |
CD1 | CG | H15 | 109.6° | 109.5° |
CG | CD1 | CE1 | 109.9° | 109.4° |
CG | CD1 | H161 | 109.3° | 109.5° |
CG | CD1 | H162 | 109.3° | 109.5° |
CD2 | CG | H15 | 109.0° | 109.5° |
CG | CD2 | CE2 | 109.3° | 109.5° |
CG | CD2 | H201 | 109.5° | 109.4° |
CG | CD2 | H202 | 109.5° | 109.5° |
CE1 | CD1 | H161 | 109.3° | 109.5° |
CE1 | CD1 | H162 | 109.3° | 109.5° |
CD1 | CE1 | CZ | 110.5° | 109.5° |
CD1 | CE1 | H171 | 109.1° | 109.5° |
CD1 | CE1 | H172 | 109.1° | 109.4° |
H161 | CD1 | H162 | 109.6° | 109.5° |
CZ | CE1 | H171 | 109.1° | 109.5° |
CZ | CE1 | H172 | 109.1° | 109.5° |
CE1 | CZ | CE2 | 110.7° | 109.5° |
CE1 | CZ | H181 | 109.1° | 109.5° |
CE1 | CZ | H182 | 109.1° | 109.4° |
H171 | CE1 | H172 | 109.8° | 109.4° |
CE2 | CZ | H181 | 109.1° | 109.5° |
CE2 | CZ | H182 | 109.1° | 109.4° |
CZ | CE2 | CD2 | 110.6° | 109.5° |
CZ | CE2 | H191 | 109.1° | 109.4° |
CZ | CE2 | H192 | 109.1° | 109.4° |
H181 | CZ | H182 | 109.9° | 109.5° |
CD2 | CE2 | H191 | 109.1° | 109.5° |
CD2 | CE2 | H192 | 109.1° | 109.5° |
CE2 | CD2 | H201 | 109.6° | 109.5° |
CE2 | CD2 | H202 | 109.5° | 109.5° |
H191 | CE2 | H192 | 109.9° | 109.5° |
H201 | CD2 | H202 | 109.4° | 109.4° |
C1 | N | H5 | 108.7° | 111.0° |
N | C1 | C2 | 108.1° | 109.4° |
N | C1 | H211 | 110.0° | 109.5° |
N | C1 | H212 | 109.9° | 109.5° |
C2 | C1 | H211 | 109.9° | 109.5° |
C2 | C1 | H212 | 109.9° | 109.5° |
C1 | C2 | O21 | 119.9° | 120.0° |
C1 | C2 | O22 | 120.1° | 120.0° |
H211 | C1 | H212 | 109.0° | 109.5° |
O21 | C2 | O22 | 120.0° | 120.0° |
C2 | O21 | HO2 | 109.5° | 117.0° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 97.0° | 179.6° |
O | C | CA | CB | 71.7° | 120.0° |
O | C | CA | N | 48.4° | 0.1° |
O | C | CA | H13 | 169.3° | 120.0° |
O | C | OXT | HXT | 90.0° | 0.1° |
C | CA | CB | N | 118.2° | 119.9° |
C | CA | CB | H13 | 120.8° | 120.0° |
C | CA | N | H13 | 120.8° | 120.0° |
C | CA | CB | CG | 62.1° | 174.2° |
C | CA | CB | H141 | 57.9° | 54.2° |
C | CA | CB | H142 | 177.9° | 65.9° |
C | CA | N | C1 | 166.0° | 87.4° |
C | CA | N | H5 | 74.1° | 148.8° |
CA | C | OXT | HXT | 90.0° | 179.7° |
CB | CA | N | H13 | 119.0° | 120.0° |
CA | CB | CG | H141 | 120.0° | 120.0° |
CA | CB | CG | H142 | 120.0° | 120.0° |
CA | CB | H141 | H142 | 119.2° | 120.1° |
CA | CB | CG | CD1 | 152.7° | 65.1° |
CA | CB | CG | CD2 | 86.6° | 174.9° |
CA | CB | CG | H15 | 32.9° | 54.9° |
CB | CA | N | C1 | 73.8° | 152.7° |
CB | CA | N | H5 | 46.2° | 28.8° |
CB | CA | C | OXT | 168.7° | 60.3° |
N | CA | CB | CG | 179.6° | 65.9° |
N | CA | CB | H141 | 60.4° | 174.1° |
N | CA | CB | H142 | 59.6° | 54.0° |
CA | N | C1 | H5 | 120.0° | 123.9° |
CA | N | C1 | C2 | 177.8° | 180.0° |
CA | N | C1 | H211 | 62.2° | 60.0° |
CA | N | C1 | H212 | 57.8° | 60.0° |
N | CA | C | OXT | 48.6° | 179.7° |
H13 | CA | CB | CG | 58.7° | 54.2° |
H13 | CA | CB | H141 | 178.7° | 65.8° |
H13 | CA | CB | H142 | 61.3° | 174.1° |
H13 | CA | N | C1 | 45.2° | 32.7° |
H13 | CA | N | H5 | 165.2° | 91.2° |
H13 | CA | C | OXT | 72.3° | 59.7° |
CG | CB | H141 | H142 | 119.2° | 119.9° |
CB | CG | CD1 | CD2 | 121.2° | 120.0° |
CB | CG | CD1 | H15 | 119.3° | 120.0° |
CB | CG | CD2 | H15 | 119.3° | 120.0° |
CB | CG | CD1 | CE1 | 177.9° | 180.0° |
CB | CG | CD1 | H161 | 57.9° | 60.0° |
CB | CG | CD1 | H162 | 62.1° | 60.0° |
CB | CG | CD2 | CE2 | 178.0° | 180.0° |
CB | CG | CD2 | H201 | 62.0° | 60.0° |
CB | CG | CD2 | H202 | 58.0° | 60.0° |
H141 | CB | CG | CD1 | 32.8° | 54.9° |
H141 | CB | CG | CD2 | 153.4° | 65.1° |
H141 | CB | CG | H15 | 87.1° | 174.9° |
H142 | CB | CG | CD1 | 87.3° | 174.9° |
H142 | CB | CG | CD2 | 33.4° | 54.9° |
H142 | CB | CG | H15 | 152.9° | 65.1° |
CD1 | CG | CD2 | H15 | 119.9° | 120.0° |
CG | CD1 | CE1 | H161 | 120.0° | 120.0° |
CG | CD1 | CE1 | H162 | 120.0° | 120.0° |
CG | CD1 | H161 | H162 | 119.8° | 120.0° |
CG | CD1 | CE1 | CZ | 58.1° | 60.0° |
CG | CD1 | CE1 | H171 | 61.9° | 60.0° |
CG | CD1 | CE1 | H172 | 178.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 61.2° | 60.0° |
CD1 | CG | CD2 | H201 | 58.9° | 60.0° |
CD1 | CG | CD2 | H202 | 178.9° | 180.0° |
CD2 | CG | CD1 | CE1 | 60.9° | 60.0° |
CD2 | CG | CD1 | H161 | 179.1° | 180.0° |
CD2 | CG | CD1 | H162 | 59.0° | 60.0° |
CG | CD2 | CE2 | CZ | 58.8° | 60.0° |
CG | CD2 | CE2 | H201 | 120.0° | 120.0° |
CG | CD2 | CE2 | H202 | 120.0° | 120.0° |
CG | CD2 | CE2 | H191 | 61.2° | 60.0° |
CG | CD2 | CE2 | H192 | 178.8° | 180.0° |
CG | CD2 | H201 | H202 | 120.1° | 120.0° |
H15 | CG | CD1 | CE1 | 58.5° | 60.0° |
H15 | CG | CD1 | H161 | 61.4° | 60.0° |
H15 | CG | CD1 | H162 | 178.5° | 180.0° |
H15 | CG | CD2 | CE2 | 58.7° | 60.0° |
H15 | CG | CD2 | H201 | 178.7° | 180.0° |
H15 | CG | CD2 | H202 | 61.3° | 60.0° |
CE1 | CD1 | H161 | H162 | 119.8° | 120.0° |
CD1 | CE1 | CZ | H171 | 120.0° | 120.0° |
CD1 | CE1 | CZ | H172 | 120.0° | 120.0° |
CD1 | CE1 | H171 | H172 | 119.6° | 119.9° |
CD1 | CE1 | CZ | CE2 | 55.5° | 60.0° |
CD1 | CE1 | CZ | H181 | 175.5° | 180.0° |
CD1 | CE1 | CZ | H182 | 64.5° | 60.0° |
H161 | CD1 | CE1 | CZ | 178.0° | 180.0° |
H161 | CD1 | CE1 | H171 | 58.0° | 60.0° |
H161 | CD1 | CE1 | H172 | 62.0° | 60.0° |
H162 | CD1 | CE1 | CZ | 61.9° | 60.0° |
H162 | CD1 | CE1 | H171 | 178.1° | 179.9° |
H162 | CD1 | CE1 | H172 | 58.1° | 60.0° |
CZ | CE1 | H171 | H172 | 119.6° | 120.0° |
CE1 | CZ | CE2 | H181 | 120.0° | 120.1° |
CE1 | CZ | CE2 | H182 | 120.0° | 120.0° |
CE1 | CZ | H181 | H182 | 119.5° | 120.0° |
CE1 | CZ | CE2 | CD2 | 56.1° | 60.0° |
CE1 | CZ | CE2 | H191 | 63.9° | 60.0° |
CE1 | CZ | CE2 | H192 | 176.1° | 180.0° |
H171 | CE1 | CZ | CE2 | 64.5° | 60.1° |
H171 | CE1 | CZ | H181 | 55.5° | 60.0° |
H171 | CE1 | CZ | H182 | 175.5° | 180.0° |
H172 | CE1 | CZ | CE2 | 175.5° | 180.0° |
H172 | CE1 | CZ | H181 | 64.5° | 60.0° |
H172 | CE1 | CZ | H182 | 55.5° | 60.0° |
CE2 | CZ | H181 | H182 | 119.5° | 120.0° |
CZ | CE2 | CD2 | H191 | 120.0° | 120.0° |
CZ | CE2 | CD2 | H192 | 120.0° | 120.0° |
CZ | CE2 | H191 | H192 | 119.5° | 119.9° |
CZ | CE2 | CD2 | H201 | 61.2° | 60.0° |
CZ | CE2 | CD2 | H202 | 178.8° | 180.0° |
H181 | CZ | CE2 | CD2 | 176.1° | 180.0° |
H181 | CZ | CE2 | H191 | 56.1° | 60.0° |
H181 | CZ | CE2 | H192 | 63.9° | 59.9° |
H182 | CZ | CE2 | CD2 | 63.9° | 60.0° |
H182 | CZ | CE2 | H191 | 176.1° | 180.0° |
H182 | CZ | CE2 | H192 | 56.1° | 60.0° |
CD2 | CE2 | H191 | H192 | 119.6° | 120.1° |
CE2 | CD2 | H201 | H202 | 120.1° | 120.0° |
H191 | CE2 | CD2 | H201 | 178.8° | 180.0° |
H191 | CE2 | CD2 | H202 | 58.8° | 60.0° |
H192 | CE2 | CD2 | H201 | 58.8° | 60.0° |
H192 | CE2 | CD2 | H202 | 61.2° | 60.0° |
N | C1 | C2 | H211 | 120.0° | 120.0° |
N | C1 | C2 | H212 | 120.0° | 120.0° |
N | C1 | H211 | H212 | 120.6° | 120.0° |
N | C1 | C2 | O21 | 172.9° | 180.0° |
N | C1 | C2 | O22 | 7.1° | 0.0° |
H5 | N | C1 | C2 | 57.8° | 56.1° |
H5 | N | C1 | H211 | 177.8° | 176.1° |
H5 | N | C1 | H212 | 62.2° | 63.9° |
C2 | C1 | H211 | H212 | 120.6° | 120.0° |
C1 | C2 | O21 | O22 | 179.9° | 180.0° |
C1 | C2 | O21 | HO2 | 180.0° | 180.0° |
H211 | C1 | C2 | O21 | 67.1° | 60.0° |
H211 | C1 | C2 | O22 | 112.9° | 120.0° |
H212 | C1 | C2 | O21 | 52.9° | 60.0° |
H212 | C1 | C2 | O22 | 127.2° | 120.0° |
O22 | C2 | O21 | HO2 | 0.0° | 0.0° |