GAP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.50Å | |
N | H1 | sing | 1.01Å | 1.02Å | |
N | H2A | sing | 1.01Å | 1.02Å | |
N | H3 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.54Å | |
CA | HA1 | sing | 1.09Å | 1.12Å | |
CA | HA2 | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.26Å | |
C | O3A | sing | 1.34Å | 1.27Å | |
PA | O1A | doub | 1.54Å | 1.49Å | |
PA | O2A | sing | 1.55Å | 1.48Å | |
PA | O3A | sing | 1.61Å | 1.62Å | |
PA | O5' | sing | 1.61Å | 1.59Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.40Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO'3 | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO'2 | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.44Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
N6 | H61 | sing | 0.97Å | 1.02Å | |
N6 | H62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H1 | 117.5° | 109.5° |
CA | N | H2A | 109.3° | 109.5° |
CA | N | H3 | 109.3° | 109.5° |
N | CA | C | 117.5° | 109.5° |
N | CA | HA1 | 109.3° | 109.5° |
N | CA | HA2 | 109.3° | 109.5° |
H1 | N | H2A | 109.3° | 109.5° |
H1 | N | H3 | 109.4° | 109.4° |
H2A | N | H3 | 100.9° | 109.5° |
C | CA | HA1 | 109.3° | 109.4° |
C | CA | HA2 | 109.3° | 109.5° |
CA | C | O | 114.8° | 120.0° |
CA | C | O3A | 118.7° | 120.0° |
HA1 | CA | HA2 | 100.8° | 109.5° |
O | C | O3A | 126.4° | 120.0° |
C | O3A | PA | 121.1° | 120.0° |
O1A | PA | O2A | 119.6° | 109.5° |
O1A | PA | O3A | 106.3° | 109.5° |
O1A | PA | O5' | 107.1° | 109.4° |
O2A | PA | O3A | 109.6° | 109.5° |
O2A | PA | O5' | 107.9° | 109.5° |
O3A | PA | O5' | 105.5° | 109.4° |
PA | O5' | C5' | 120.9° | 106.8° |
O5' | C5' | C4' | 109.9° | 109.4° |
O5' | C5' | H5'1 | 112.0° | 109.5° |
O5' | C5' | H5'2 | 112.0° | 109.5° |
C4' | C5' | H5'1 | 112.1° | 109.4° |
C4' | C5' | H5'2 | 112.1° | 109.5° |
C5' | C4' | O4' | 105.8° | 110.4° |
C5' | C4' | C3' | 116.6° | 110.4° |
C5' | C4' | H4' | 105.9° | 110.3° |
H5'1 | C5' | H5'2 | 98.3° | 109.5° |
O4' | C4' | C3' | 105.2° | 104.8° |
O4' | C4' | H4' | 117.2° | 110.4° |
C4' | O4' | C1' | 109.5° | 105.3° |
C3' | C4' | H4' | 106.5° | 110.4° |
C4' | C3' | O3' | 109.9° | 110.5° |
C4' | C3' | C2' | 102.7° | 104.1° |
C4' | C3' | H3' | 113.2° | 110.5° |
O4' | C1' | C2' | 108.7° | 104.9° |
O4' | C1' | N9 | 107.3° | 110.4° |
O4' | C1' | H1' | 113.8° | 110.3° |
O3' | C3' | C2' | 108.5° | 110.5° |
O3' | C3' | H3' | 107.9° | 110.5° |
C3' | O3' | HO'3 | 109.9° | 106.8° |
C2' | C3' | H3' | 114.6° | 110.5° |
C3' | C2' | O2' | 112.4° | 110.5° |
C3' | C2' | C1' | 101.4° | 104.0° |
C3' | C2' | H2' | 113.0° | 110.5° |
O2' | C2' | C1' | 109.8° | 110.8° |
O2' | C2' | H2' | 105.1° | 110.5° |
C2' | O2' | HO'2 | 112.4° | 106.8° |
C1' | C2' | H2' | 115.5° | 110.4° |
C2' | C1' | N9 | 115.7° | 110.4° |
C2' | C1' | H1' | 105.0° | 110.4° |
N9 | C1' | H1' | 106.5° | 110.3° |
C1' | N9 | C8 | 128.6° | 126.3° |
C1' | N9 | C4 | 125.6° | 126.3° |
C8 | N9 | C4 | 105.8° | 107.4° |
N9 | C8 | N7 | 113.6° | 110.0° |
N9 | C8 | H8 | 125.1° | 125.0° |
N9 | C4 | C5 | 106.6° | 106.0° |
N9 | C4 | N3 | 126.5° | 134.9° |
N7 | C8 | H8 | 121.3° | 125.0° |
C8 | N7 | C5 | 103.8° | 109.4° |
N7 | C5 | C6 | 132.5° | 134.7° |
N7 | C5 | C4 | 110.2° | 107.1° |
C6 | C5 | C4 | 117.2° | 118.2° |
C5 | C6 | N6 | 124.2° | 120.8° |
C5 | C6 | N1 | 117.9° | 118.4° |
C5 | C4 | N3 | 126.9° | 119.0° |
N6 | C6 | N1 | 118.0° | 120.8° |
C6 | N6 | H61 | 124.2° | 120.0° |
C6 | N6 | H62 | 107.0° | 120.0° |
C6 | N1 | C2 | 117.9° | 121.2° |
H61 | N6 | H62 | 107.0° | 120.0° |
N1 | C2 | N3 | 130.0° | 122.5° |
N1 | C2 | H2 | 115.4° | 118.8° |
N3 | C2 | H2 | 114.6° | 118.7° |
C2 | N3 | C4 | 110.1° | 120.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H1 | H2A | 125.2° | 120.1° |
CA | N | H1 | H3 | 125.2° | 120.0° |
CA | N | H2A | H3 | 115.0° | 120.0° |
N | CA | C | HA1 | 125.3° | 120.0° |
N | CA | C | HA2 | 125.3° | 120.0° |
N | CA | HA1 | HA2 | 115.1° | 120.0° |
N | CA | C | O | 36.8° | 0.0° |
N | CA | C | O3A | 143.7° | 180.0° |
H1 | N | H2A | H3 | 115.2° | 119.9° |
H1 | N | CA | C | 180.0° | 180.0° |
H1 | N | CA | HA1 | 54.7° | 60.0° |
H1 | N | CA | HA2 | 54.7° | 60.1° |
H2A | N | CA | C | 54.8° | 60.0° |
H2A | N | CA | HA1 | 70.5° | 180.0° |
H2A | N | CA | HA2 | 179.9° | 60.0° |
H3 | N | CA | C | 54.7° | 60.0° |
H3 | N | CA | HA1 | 180.0° | 59.9° |
H3 | N | CA | HA2 | 70.5° | 180.0° |
C | CA | HA1 | HA2 | 115.1° | 120.0° |
CA | C | O | O3A | 179.4° | 180.0° |
CA | C | O3A | PA | 179.8° | 180.0° |
HA1 | CA | C | O | 88.5° | 120.0° |
HA1 | CA | C | O3A | 91.0° | 60.0° |
HA2 | CA | C | O | 162.1° | 120.0° |
HA2 | CA | C | O3A | 18.5° | 60.0° |
O | C | O3A | PA | 0.4° | 0.0° |
C | O3A | PA | O1A | 155.5° | 65.0° |
C | O3A | PA | O2A | 24.9° | 55.0° |
C | O3A | PA | O5' | 91.0° | 175.0° |
O1A | PA | O2A | O3A | 123.0° | 120.1° |
O1A | PA | O2A | O5' | 122.6° | 120.0° |
O1A | PA | O3A | O5' | 113.5° | 120.0° |
O1A | PA | O5' | C5' | 79.8° | 65.0° |
O2A | PA | O3A | O5' | 115.9° | 120.0° |
O2A | PA | O5' | C5' | 150.3° | 55.0° |
O3A | PA | O5' | C5' | 33.2° | 175.0° |
PA | O5' | C5' | C4' | 158.8° | 180.0° |
PA | O5' | C5' | H5'1 | 33.5° | 60.1° |
PA | O5' | C5' | H5'2 | 75.9° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 117.9° | 120.1° |
O5' | C5' | C4' | O4' | 56.1° | 66.5° |
O5' | C5' | C4' | C3' | 60.5° | 178.1° |
O5' | C5' | C4' | H4' | 178.8° | 55.8° |
C4' | C5' | H5'1 | H5'2 | 118.0° | 120.0° |
C5' | C4' | O4' | C3' | 124.1° | 118.9° |
C5' | C4' | O4' | H4' | 117.8° | 122.2° |
C5' | C4' | C3' | H4' | 117.9° | 122.3° |
C5' | C4' | O4' | C1' | 144.0° | 159.4° |
C5' | C4' | C3' | O3' | 94.2° | 98.4° |
C5' | C4' | C3' | C2' | 150.5° | 142.9° |
C5' | C4' | C3' | H3' | 26.4° | 24.3° |
H5'1 | C5' | C4' | O4' | 178.7° | 173.5° |
H5'1 | C5' | C4' | C3' | 64.7° | 58.1° |
H5'1 | C5' | C4' | H4' | 53.6° | 64.2° |
H5'2 | C5' | C4' | O4' | 69.2° | 53.5° |
H5'2 | C5' | C4' | C3' | 174.2° | 61.9° |
H5'2 | C5' | C4' | H4' | 55.9° | 175.8° |
O4' | C4' | C3' | H4' | 125.1° | 118.9° |
O4' | C4' | C3' | O3' | 148.8° | 142.8° |
O4' | C4' | C3' | C2' | 33.6° | 24.1° |
O4' | C4' | C3' | H3' | 90.5° | 94.6° |
C4' | O4' | C1' | C2' | 2.0° | 40.5° |
C4' | O4' | C1' | N9 | 123.8° | 159.4° |
C4' | O4' | C1' | H1' | 118.6° | 78.4° |
C3' | C4' | O4' | C1' | 19.9° | 40.5° |
C4' | C3' | O3' | C2' | 111.5° | 114.7° |
C4' | C3' | O3' | H3' | 123.9° | 122.6° |
C4' | C3' | C2' | H3' | 123.2° | 118.6° |
C4' | C3' | O3' | HO'3 | 180.0° | 179.9° |
C4' | C3' | C2' | O2' | 83.8° | 118.8° |
C4' | C3' | C2' | C1' | 33.3° | 0.1° |
C4' | C3' | C2' | H2' | 157.5° | 118.6° |
H4' | C4' | O4' | C1' | 98.2° | 78.3° |
H4' | C4' | C3' | O3' | 23.7° | 23.9° |
H4' | C4' | C3' | C2' | 91.5° | 94.8° |
H4' | C4' | C3' | H3' | 144.4° | 146.5° |
O4' | C1' | C2' | C3' | 22.8° | 23.9° |
O4' | C1' | C2' | O2' | 96.2° | 142.6° |
O4' | C1' | C2' | N9 | 120.8° | 118.9° |
O4' | C1' | C2' | H1' | 122.1° | 118.9° |
O4' | C1' | C2' | H2' | 145.2° | 94.7° |
O4' | C1' | N9 | H1' | 122.2° | 122.2° |
O4' | C1' | N9 | C8 | 25.9° | 22.0° |
O4' | C1' | N9 | C4 | 151.6° | 157.9° |
O3' | C3' | C2' | H3' | 120.5° | 122.7° |
O3' | C3' | C2' | O2' | 32.4° | 0.1° |
O3' | C3' | C2' | C1' | 149.6° | 118.8° |
O3' | C3' | C2' | H2' | 86.3° | 122.7° |
C2' | C3' | O3' | HO'3 | 68.5° | 65.3° |
C3' | C2' | O2' | C1' | 112.0° | 114.7° |
C3' | C2' | O2' | H2' | 123.2° | 122.7° |
C3' | C2' | C1' | H2' | 122.5° | 118.6° |
C3' | C2' | O2' | HO'2 | 180.0° | 61.5° |
C3' | C2' | C1' | N9 | 98.0° | 142.8° |
C3' | C2' | C1' | H1' | 144.9° | 95.0° |
H3' | C3' | O3' | HO'3 | 56.1° | 57.4° |
H3' | C3' | C2' | O2' | 153.0° | 122.6° |
H3' | C3' | C2' | C1' | 89.9° | 118.5° |
H3' | C3' | C2' | H2' | 34.3° | 0.0° |
O2' | C2' | C1' | H2' | 118.5° | 122.7° |
O2' | C2' | C1' | N9 | 143.0° | 98.5° |
O2' | C2' | C1' | H1' | 25.9° | 23.7° |
C1' | C2' | O2' | HO'2 | 68.0° | 176.2° |
C2' | C1' | N9 | H1' | 116.3° | 122.3° |
C2' | C1' | N9 | C8 | 95.6° | 93.5° |
C2' | C1' | N9 | C4 | 86.9° | 86.5° |
H2' | C2' | O2' | HO'2 | 56.7° | 61.1° |
H2' | C2' | C1' | N9 | 24.5° | 24.2° |
H2' | C2' | C1' | H1' | 92.7° | 146.4° |
C1' | N9 | C8 | C4 | 177.9° | 180.0° |
C1' | N9 | C8 | N7 | 176.5° | 180.0° |
C1' | N9 | C8 | H8 | 3.5° | 0.0° |
C1' | N9 | C4 | C5 | 176.3° | 179.7° |
C1' | N9 | C4 | N3 | 1.9° | 0.0° |
H1' | C1' | N9 | C8 | 148.1° | 144.2° |
H1' | C1' | N9 | C4 | 29.4° | 35.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.5° | 0.2° |
C8 | N9 | C4 | C5 | 1.7° | 0.3° |
C8 | N9 | C4 | N3 | 179.8° | 180.0° |
C4 | N9 | C8 | N7 | 1.4° | 0.0° |
C4 | N9 | C8 | H8 | 178.6° | 180.0° |
N9 | C4 | C5 | N7 | 1.5° | 0.4° |
N9 | C4 | C5 | C6 | 177.8° | 179.6° |
N9 | C4 | C5 | N3 | 178.2° | 179.8° |
N9 | C4 | N3 | C2 | 177.1° | 180.0° |
C8 | N7 | C5 | C6 | 178.5° | 179.4° |
C8 | N7 | C5 | C4 | 0.6° | 0.4° |
H8 | C8 | N7 | C5 | 179.5° | 179.7° |
N7 | C5 | C6 | C4 | 179.1° | 178.9° |
N7 | C5 | C6 | N6 | 1.4° | 0.8° |
N7 | C5 | C6 | N1 | 178.7° | 179.5° |
N7 | C5 | C4 | N3 | 179.6° | 179.8° |
C5 | C6 | N6 | N1 | 179.9° | 179.7° |
C5 | C6 | N6 | H61 | 180.0° | 179.7° |
C5 | C6 | N6 | H62 | 54.7° | 0.6° |
C5 | C6 | N1 | C2 | 0.6° | 0.3° |
C6 | C5 | C4 | N3 | 0.4° | 0.6° |
C4 | C5 | C6 | N6 | 179.6° | 179.7° |
C4 | C5 | C6 | N1 | 0.3° | 0.6° |
C5 | C4 | N3 | C2 | 0.7° | 0.3° |
C6 | N6 | H61 | H62 | 125.2° | 179.7° |
N6 | C6 | N1 | C2 | 179.3° | 180.0° |
N1 | C6 | N6 | H61 | 0.1° | 0.0° |
N1 | C6 | N6 | H62 | 125.2° | 179.7° |
C6 | N1 | C2 | N3 | 0.3° | 0.0° |
C6 | N1 | C2 | H2 | 179.7° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.3° | 0.0° |
H2 | C2 | N3 | C4 | 179.7° | 180.0° |