9L9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2A | C2 | sing | 1.37Å | 1.34Å | |
N1 | C2 | doub | 1.32Å | 1.35Å | |
N1 | C6 | sing | 1.34Å | 1.35Å | |
C2 | N3 | sing | 1.36Å | 1.35Å | |
N3 | C4 | sing | 1.35Å | 1.35Å | |
C4 | O4A | doub | 1.22Å | 1.37Å | |
C4 | C5 | sing | 1.40Å | 1.40Å | |
N5A | C5 | sing | 1.41Å | 1.34Å | |
N5A | CAW | sing | 1.35Å | 1.35Å | |
C5 | C6 | doub | 1.39Å | 1.39Å | |
C6 | N7 | sing | 1.38Å | 1.33Å | |
O8A | CAW | doub | 1.22Å | 1.24Å | |
N9 | C1B | sing | 1.39Å | 1.34Å | |
N9 | CAW | sing | 1.35Å | 1.34Å | |
C1B | C2B | sing | 1.39Å | 1.40Å | Aromatic |
C1B | C6B | doub | 1.39Å | 1.40Å | Aromatic |
C2B | C3B | doub | 1.38Å | 1.39Å | Aromatic |
C3B | C4B | sing | 1.40Å | 1.39Å | Aromatic |
C4B | C5B | doub | 1.40Å | 1.39Å | Aromatic |
C4B | C7B | sing | 1.48Å | 1.54Å | |
C5B | C6B | sing | 1.38Å | 1.39Å | Aromatic |
C7B | O7B | doub | 1.22Å | 1.23Å | |
C7B | N | sing | 1.35Å | 1.34Å | |
N | CA | sing | 1.47Å | 1.48Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
CG | CD | sing | 1.51Å | 1.53Å | |
CD | OE1 | doub | 1.21Å | 1.26Å | |
CD | OE2 | sing | 1.34Å | 1.26Å | |
C | O | sing | 1.34Å | 1.25Å | |
C | OXT | doub | 1.21Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.55Å | |
N2A | H2A1 | sing | 0.97Å | 1.00Å | |
N2A | H2A2 | sing | 0.97Å | 1.00Å | |
N7 | H71N | sing | 0.97Å | 1.00Å | |
N7 | H72N | sing | 0.97Å | 1.00Å | |
N9 | H9 | sing | 0.97Å | 1.00Å | |
C2B | H2B | sing | 1.08Å | 1.08Å | |
C6B | H6B | sing | 1.08Å | 1.08Å | |
C3B | H3B | sing | 1.08Å | 1.08Å | |
C5B | H5B | sing | 1.08Å | 1.08Å | |
N | H | sing | 0.97Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB1C | sing | 1.09Å | 1.10Å | |
CB | HB2C | sing | 1.09Å | 1.10Å | |
CG | HG1C | sing | 1.09Å | 1.10Å | |
CG | HG2C | sing | 1.09Å | 1.10Å | |
OE2 | HE2 | sing | 0.97Å | 0.95Å | |
O | HB | sing | 0.97Å | 0.95Å | |
N5A | H5A | sing | 0.97Å | 1.00Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2A | C2 | N1 | 120.6° | 119.3° |
N2A | C2 | N3 | 119.0° | 119.3° |
C2 | N2A | H2A1 | 120.0° | 120.0° |
C2 | N2A | H2A2 | 120.0° | 120.0° |
C2 | N1 | C6 | 121.6° | 121.2° |
N1 | C2 | N3 | 120.4° | 121.5° |
N1 | C6 | C5 | 118.9° | 119.7° |
N1 | C6 | N7 | 120.7° | 120.1° |
C2 | N3 | C4 | 120.4° | 120.2° |
C2 | N3 | HN3 | 119.8° | 119.9° |
N3 | C4 | O4A | 119.2° | 120.6° |
N3 | C4 | C5 | 120.2° | 118.8° |
C4 | N3 | HN3 | 119.8° | 119.9° |
O4A | C4 | C5 | 120.7° | 120.6° |
C4 | C5 | N5A | 118.0° | 120.6° |
C4 | C5 | C6 | 118.5° | 118.7° |
C5 | N5A | CAW | 123.6° | 120.0° |
N5A | C5 | C6 | 123.5° | 120.7° |
C5 | N5A | H5A | 118.2° | 120.0° |
N5A | CAW | O8A | 123.4° | 119.9° |
N5A | CAW | N9 | 113.4° | 120.0° |
CAW | N5A | H5A | 118.2° | 119.9° |
C5 | C6 | N7 | 120.4° | 120.2° |
C6 | N7 | H71N | 109.5° | 120.0° |
C6 | N7 | H72N | 109.5° | 120.0° |
O8A | CAW | N9 | 123.1° | 120.1° |
C1B | N9 | CAW | 127.6° | 120.0° |
N9 | C1B | C2B | 118.9° | 119.9° |
N9 | C1B | C6B | 121.8° | 119.9° |
C1B | N9 | H9 | 116.2° | 120.0° |
CAW | N9 | H9 | 116.2° | 120.0° |
C2B | C1B | C6B | 118.9° | 120.2° |
C1B | C2B | C3B | 120.2° | 120.0° |
C1B | C2B | H2B | 119.9° | 120.0° |
C1B | C6B | C5B | 120.6° | 120.1° |
C1B | C6B | H6B | 119.7° | 119.9° |
C2B | C3B | C4B | 120.7° | 119.9° |
C3B | C2B | H2B | 119.9° | 120.0° |
C2B | C3B | H3B | 119.7° | 120.1° |
C3B | C4B | C5B | 119.2° | 119.8° |
C3B | C4B | C7B | 121.5° | 120.0° |
C4B | C3B | H3B | 119.6° | 120.0° |
C5B | C4B | C7B | 119.2° | 120.1° |
C4B | C5B | C6B | 120.3° | 120.0° |
C4B | C5B | H5B | 119.9° | 120.0° |
C4B | C7B | O7B | 119.7° | 120.0° |
C4B | C7B | N | 116.9° | 120.0° |
C5B | C6B | H6B | 119.7° | 120.0° |
C6B | C5B | H5B | 119.9° | 120.0° |
O7B | C7B | N | 123.0° | 120.0° |
C7B | N | CA | 121.6° | 120.0° |
C7B | N | H | 119.2° | 120.0° |
N | CA | CB | 110.6° | 109.5° |
N | CA | C | 109.4° | 109.5° |
CA | N | H | 119.2° | 120.0° |
N | CA | HA | 109.6° | 109.5° |
CG | CB | CA | 110.1° | 109.5° |
CB | CG | CD | 112.9° | 109.5° |
CG | CB | HB1C | 109.3° | 109.5° |
CG | CB | HB2C | 109.3° | 109.5° |
CB | CG | HG1C | 108.6° | 109.5° |
CB | CG | HG2C | 108.6° | 109.4° |
CB | CA | C | 109.5° | 109.5° |
CB | CA | HA | 108.9° | 109.5° |
CA | CB | HB1C | 109.4° | 109.5° |
CA | CB | HB2C | 109.3° | 109.4° |
CG | CD | OE1 | 116.4° | 120.0° |
CG | CD | OE2 | 117.7° | 120.0° |
CD | CG | HG1C | 108.6° | 109.5° |
CD | CG | HG2C | 108.6° | 109.5° |
OE1 | CD | OE2 | 125.9° | 120.0° |
CD | OE2 | HE2 | 109.5° | 117.0° |
O | C | OXT | 124.3° | 120.0° |
O | C | CA | 118.6° | 120.0° |
C | O | HB | 109.5° | 117.0° |
OXT | C | CA | 117.1° | 120.0° |
C | CA | HA | 108.8° | 109.5° |
H2A1 | N2A | H2A2 | 120.0° | 120.0° |
H71N | N7 | H72N | 109.5° | 120.1° |
HB1C | CB | HB2C | 109.5° | 109.5° |
HG1C | CG | HG2C | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2A | C2 | N1 | N3 | 180.0° | 179.9° |
N2A | C2 | N1 | C6 | 179.8° | 180.0° |
N2A | C2 | N3 | C4 | 180.0° | 180.0° |
C2 | N2A | H2A1 | H2A2 | 180.0° | 179.7° |
N2A | C2 | N3 | HN3 | 0.0° | 0.1° |
N1 | C2 | N3 | C4 | 0.0° | 0.1° |
C2 | N1 | C6 | C5 | 0.5° | 0.1° |
C2 | N1 | C6 | N7 | 179.7° | 179.9° |
N1 | C2 | N2A | H2A1 | 0.0° | 0.1° |
N1 | C2 | N2A | H2A2 | 180.0° | 179.8° |
N1 | C2 | N3 | HN3 | 180.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.2° | 0.1° |
N1 | C6 | C5 | C4 | 1.4° | 0.0° |
N1 | C6 | C5 | N5A | 179.0° | 179.9° |
N1 | C6 | C5 | N7 | 179.2° | 180.0° |
N1 | C6 | N7 | H71N | 0.0° | 0.0° |
N1 | C6 | N7 | H72N | 120.0° | 180.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4A | 179.6° | 179.9° |
C2 | N3 | C4 | C5 | 0.9° | 0.0° |
N3 | C2 | N2A | H2A1 | 179.9° | 179.9° |
N3 | C2 | N2A | H2A2 | 0.1° | 0.3° |
N3 | C4 | O4A | C5 | 178.6° | 179.9° |
N3 | C4 | C5 | N5A | 179.3° | 180.0° |
N3 | C4 | C5 | C6 | 1.6° | 0.1° |
O4A | C4 | C5 | N5A | 2.1° | 0.1° |
O4A | C4 | C5 | C6 | 179.8° | 180.0° |
O4A | C4 | N3 | HN3 | 0.4° | 0.0° |
C4 | C5 | N5A | C6 | 177.5° | 179.9° |
C4 | C5 | N5A | CAW | 76.8° | 58.6° |
C4 | C5 | C6 | N7 | 179.4° | 180.0° |
C4 | C5 | N5A | H5A | 103.2° | 121.5° |
C5 | C4 | N3 | HN3 | 179.1° | 179.9° |
C5 | N5A | CAW | H5A | 180.0° | 179.9° |
N5A | C5 | C6 | N7 | 1.9° | 0.1° |
C5 | N5A | CAW | O8A | 4.5° | 4.9° |
C5 | N5A | CAW | N9 | 178.5° | 175.1° |
CAW | N5A | C5 | C6 | 105.6° | 121.3° |
N5A | CAW | O8A | N9 | 176.8° | 180.0° |
N5A | CAW | N9 | C1B | 172.1° | 174.8° |
N5A | CAW | N9 | H9 | 7.9° | 5.1° |
C5 | C6 | N7 | H71N | 179.1° | 180.0° |
C5 | C6 | N7 | H72N | 60.8° | 0.0° |
C6 | C5 | N5A | H5A | 74.4° | 58.6° |
C6 | N7 | H71N | H72N | 120.0° | 180.0° |
O8A | CAW | N9 | C1B | 10.8° | 5.2° |
O8A | CAW | N9 | H9 | 169.2° | 174.8° |
O8A | CAW | N5A | H5A | 175.5° | 175.1° |
C1B | N9 | CAW | H9 | 180.0° | 180.0° |
N9 | C1B | C2B | C6B | 173.1° | 179.7° |
N9 | C1B | C2B | C3B | 176.3° | 180.0° |
N9 | C1B | C6B | C5B | 176.1° | 179.7° |
N9 | C1B | C2B | H2B | 3.6° | 0.0° |
N9 | C1B | C6B | H6B | 3.9° | 0.0° |
CAW | N9 | C1B | C2B | 160.5° | 146.9° |
CAW | N9 | C1B | C6B | 26.6° | 33.4° |
N9 | CAW | N5A | H5A | 1.6° | 4.8° |
C1B | C2B | C3B | H2B | 180.0° | 180.0° |
C1B | C2B | C3B | C4B | 1.0° | 0.0° |
C2B | C1B | C6B | C5B | 3.2° | 0.6° |
C2B | C1B | N9 | H9 | 19.5° | 33.2° |
C2B | C1B | C6B | H6B | 176.8° | 179.7° |
C1B | C2B | C3B | H3B | 179.0° | 180.0° |
C6B | C1B | C2B | C3B | 3.2° | 0.3° |
C1B | C6B | C5B | C4B | 1.0° | 0.6° |
C1B | C6B | C5B | H6B | 180.0° | 179.7° |
C6B | C1B | N9 | H9 | 153.4° | 146.5° |
C6B | C1B | C2B | H2B | 176.8° | 179.7° |
C1B | C6B | C5B | H5B | 179.0° | 179.7° |
C2B | C3B | C4B | H3B | 180.0° | 179.9° |
C2B | C3B | C4B | C5B | 1.2° | 0.0° |
C2B | C3B | C4B | C7B | 178.5° | 180.0° |
C3B | C4B | C5B | C7B | 177.3° | 180.0° |
C3B | C4B | C5B | C6B | 1.2° | 0.3° |
C3B | C4B | C7B | O7B | 161.1° | 0.0° |
C3B | C4B | C7B | N | 12.3° | 180.0° |
C4B | C3B | C2B | H2B | 178.9° | 180.0° |
C3B | C4B | C5B | H5B | 178.8° | 180.0° |
C4B | C5B | C6B | H5B | 180.0° | 179.7° |
C5B | C4B | C7B | O7B | 16.1° | 180.0° |
C5B | C4B | C7B | N | 170.5° | 0.0° |
C4B | C5B | C6B | H6B | 179.0° | 179.7° |
C5B | C4B | C3B | H3B | 178.8° | 179.9° |
C7B | C4B | C5B | C6B | 178.6° | 179.7° |
C4B | C7B | O7B | N | 173.0° | 180.0° |
C4B | C7B | N | CA | 174.9° | 180.0° |
C7B | C4B | C3B | H3B | 1.5° | 0.1° |
C7B | C4B | C5B | H5B | 1.5° | 0.0° |
C4B | C7B | N | H | 5.1° | 0.0° |
O7B | C7B | N | CA | 1.7° | 0.0° |
O7B | C7B | N | H | 178.3° | 180.0° |
C7B | N | CA | H | 180.0° | 180.0° |
C7B | N | CA | CB | 146.5° | 155.0° |
C7B | N | CA | C | 92.8° | 85.0° |
C7B | N | CA | HA | 26.4° | 35.0° |
N | CA | CB | CG | 84.5° | 65.0° |
N | CA | CB | C | 120.6° | 120.0° |
N | CA | CB | HA | 120.5° | 120.0° |
N | CA | C | O | 31.2° | 180.0° |
N | CA | C | OXT | 150.2° | 0.0° |
N | CA | C | HA | 119.7° | 120.0° |
N | CA | CB | HB1C | 155.4° | 55.0° |
N | CA | CB | HB2C | 35.5° | 175.0° |
CG | CB | CA | HB1C | 120.1° | 120.0° |
CG | CB | CA | HB2C | 120.1° | 120.0° |
CB | CG | CD | HG1C | 120.5° | 120.1° |
CB | CG | CD | HG2C | 120.5° | 119.9° |
CB | CG | CD | OE1 | 148.0° | 0.1° |
CB | CG | CD | OE2 | 32.4° | 180.0° |
CG | CB | CA | C | 154.9° | 175.0° |
CG | CB | CA | HA | 36.0° | 55.0° |
CG | CB | HB1C | HB2C | 119.7° | 120.1° |
CB | CG | HG1C | HG2C | 118.4° | 120.0° |
CA | CB | CG | CD | 169.8° | 180.0° |
CB | CA | C | O | 90.2° | 60.0° |
CB | CA | C | OXT | 88.5° | 120.0° |
CB | CA | C | HA | 119.0° | 120.0° |
CB | CA | N | H | 33.5° | 25.0° |
CA | CB | HB1C | HB2C | 119.8° | 119.9° |
CA | CB | CG | HG1C | 49.4° | 60.0° |
CA | CB | CG | HG2C | 69.6° | 60.0° |
CG | CD | OE1 | OE2 | 179.6° | 179.9° |
CD | CG | CB | HB1C | 49.7° | 60.0° |
CD | CG | CB | HB2C | 70.1° | 60.1° |
CD | CG | HG1C | HG2C | 118.5° | 120.0° |
CG | CD | OE2 | HE2 | 179.5° | 180.0° |
OE1 | CD | CG | HG1C | 91.5° | 120.0° |
OE1 | CD | CG | HG2C | 27.5° | 120.0° |
OE1 | CD | OE2 | HE2 | 0.0° | 0.0° |
OE2 | CD | CG | HG1C | 88.1° | 59.9° |
OE2 | CD | CG | HG2C | 152.9° | 60.1° |
O | C | OXT | CA | 178.6° | 180.0° |
O | C | CA | HA | 150.9° | 60.0° |
OXT | C | CA | HA | 30.5° | 120.0° |
OXT | C | O | HB | 0.0° | 0.1° |
C | CA | N | H | 87.2° | 95.0° |
C | CA | CB | HB1C | 34.8° | 65.0° |
C | CA | CB | HB2C | 85.1° | 55.0° |
CA | C | O | HB | 178.6° | 180.0° |
H2B | C2B | C3B | H3B | 1.1° | 0.1° |
H6B | C6B | C5B | H5B | 1.0° | 0.0° |
H | N | CA | HA | 153.6° | 145.0° |
HA | CA | CB | HB1C | 84.1° | 175.0° |
HA | CA | CB | HB2C | 156.1° | 65.0° |
HB1C | CB | CG | HG1C | 70.8° | 180.0° |
HB1C | CB | CG | HG2C | 170.2° | 60.0° |
HB2C | CB | CG | HG1C | 169.4° | 60.0° |
HB2C | CB | CG | HG2C | 50.4° | 180.0° |