GVL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.22Å | 1.23Å | |
C | CA | sing | 1.52Å | 1.55Å | |
CA | N | sing | 1.44Å | 1.49Å | |
CA | CB | sing | 1.52Å | 1.53Å | |
CB | O25 | sing | 1.42Å | 1.43Å | |
O25 | P24 | sing | 1.62Å | 1.61Å | |
P24 | O23 | sing | 1.62Å | 1.64Å | |
P24 | O26 | doub | 1.50Å | 1.48Å | |
P24 | O27 | sing | 1.62Å | 1.64Å | |
O27 | C28 | sing | 1.42Å | 1.45Å | |
C28 | C29 | sing | 1.55Å | 1.53Å | |
C29 | C30 | sing | 1.54Å | 1.54Å | |
C29 | C31 | sing | 1.55Å | 1.54Å | |
C29 | C32 | sing | 1.56Å | 1.56Å | |
C32 | O33 | sing | 1.42Å | 1.43Å | |
C32 | C34 | sing | 1.52Å | 1.54Å | |
C34 | O35 | doub | 1.23Å | 1.23Å | |
C34 | N36 | sing | 1.38Å | 1.34Å | |
C | OXT | sing | 1.36Å | 1.33Å | |
CA | HA | sing | 1.10Å | 1.10Å | |
OXT | HOT | sing | 0.98Å | 0.95Å | |
N | HN1 | sing | 1.01Å | 1.00Å | |
N | HN2 | sing | 1.01Å | 1.00Å | |
CB | HBC1 | sing | 1.10Å | 1.10Å | |
CB | HBC2 | sing | 1.10Å | 1.10Å | |
O23 | H23 | sing | 0.98Å | 0.95Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.10Å | 1.10Å | |
C30 | H301 | sing | 1.10Å | 1.10Å | |
C30 | H302 | sing | 1.10Å | 1.10Å | |
C30 | H303 | sing | 1.10Å | 1.10Å | |
C31 | H311 | sing | 1.10Å | 1.10Å | |
C31 | H312 | sing | 1.10Å | 1.10Å | |
C31 | H313 | sing | 1.10Å | 1.10Å | |
C32 | H32 | sing | 1.10Å | 1.10Å | |
O33 | H33 | sing | 0.97Å | 0.95Å | |
N36 | H361 | sing | 1.01Å | 1.00Å | |
N36 | H362 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 120.5° | 125.1° |
O | C | OXT | 122.4° | 122.9° |
C | CA | N | 111.9° | 107.3° |
C | CA | CB | 109.6° | 110.6° |
CA | C | OXT | 117.1° | 111.9° |
C | CA | HA | 107.7° | 110.0° |
N | CA | CB | 109.4° | 111.7° |
N | CA | HA | 107.9° | 105.4° |
CA | N | HN1 | 109.5° | 119.0° |
CA | N | HN2 | 109.5° | 119.0° |
CA | CB | O25 | 108.5° | 109.2° |
CB | CA | HA | 110.3° | 111.8° |
CA | CB | HBC1 | 109.8° | 111.0° |
CA | CB | HBC2 | 110.0° | 111.6° |
CB | O25 | P24 | 122.6° | 120.1° |
O25 | CB | HBC1 | 109.8° | 107.8° |
O25 | CB | HBC2 | 110.0° | 108.7° |
O25 | P24 | O23 | 105.2° | 104.6° |
O25 | P24 | O26 | 111.0° | 115.1° |
O25 | P24 | O27 | 104.9° | 103.2° |
O23 | P24 | O26 | 112.2° | 114.1° |
O23 | P24 | O27 | 109.3° | 103.4° |
P24 | O23 | H23 | 109.5° | 118.9° |
O26 | P24 | O27 | 113.6° | 115.1° |
P24 | O27 | C28 | 121.5° | 118.2° |
O27 | C28 | C29 | 112.0° | 111.0° |
O27 | C28 | H281 | 108.7° | 107.5° |
O27 | C28 | H282 | 108.1° | 107.8° |
C28 | C29 | C30 | 109.4° | 109.8° |
C28 | C29 | C31 | 110.4° | 108.8° |
C28 | C29 | C32 | 104.6° | 111.1° |
C29 | C28 | H281 | 108.6° | 111.0° |
C29 | C28 | H282 | 108.1° | 111.1° |
C30 | C29 | C31 | 109.8° | 107.5° |
C30 | C29 | C32 | 111.4° | 111.0° |
C29 | C30 | H301 | 109.5° | 111.5° |
C29 | C30 | H302 | 109.5° | 111.1° |
C29 | C30 | H303 | 109.5° | 111.6° |
C31 | C29 | C32 | 111.2° | 108.5° |
C29 | C31 | H311 | 109.5° | 111.6° |
C29 | C31 | H312 | 109.5° | 111.5° |
C29 | C31 | H313 | 109.5° | 110.9° |
C29 | C32 | O33 | 109.9° | 109.8° |
C29 | C32 | C34 | 115.1° | 114.3° |
C29 | C32 | H32 | 105.5° | 109.8° |
O33 | C32 | C34 | 110.4° | 106.4° |
O33 | C32 | H32 | 110.7° | 107.2° |
C32 | O33 | H33 | 109.5° | 106.6° |
C32 | C34 | O35 | 120.5° | 123.1° |
C32 | C34 | N36 | 115.9° | 113.5° |
C34 | C32 | H32 | 105.0° | 109.1° |
O35 | C34 | N36 | 123.5° | 123.4° |
C34 | N36 | H361 | 109.5° | 118.7° |
C34 | N36 | H362 | 125.3° | 122.6° |
C | OXT | HOT | 109.5° | 115.2° |
HN1 | N | HN2 | 109.4° | 120.7° |
HBC1 | CB | HBC2 | 108.8° | 108.4° |
H281 | C28 | H282 | 111.4° | 108.3° |
H301 | C30 | H302 | 109.5° | 107.3° |
H301 | C30 | H303 | 109.5° | 107.1° |
H302 | C30 | H303 | 109.5° | 108.1° |
H311 | C31 | H312 | 109.5° | 107.4° |
H311 | C31 | H313 | 109.4° | 107.3° |
H312 | C31 | H313 | 109.5° | 107.8° |
H361 | N36 | H362 | 125.2° | 118.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 178.9° | 177.7° |
O | C | CA | N | 172.3° | 35.9° |
O | C | CA | CB | 66.2° | 86.1° |
O | C | CA | HA | 53.8° | 150.0° |
O | C | OXT | HOT | 0.0° | 0.0° |
C | CA | N | CB | 121.6° | 121.3° |
C | CA | N | HA | 118.4° | 117.2° |
C | CA | CB | HA | 118.5° | 122.8° |
C | CA | CB | O25 | 57.1° | 58.8° |
CA | C | OXT | HOT | 178.9° | 177.8° |
C | CA | N | HN1 | 172.1° | 74.8° |
C | CA | N | HN2 | 52.1° | 91.9° |
C | CA | CB | HBC1 | 62.9° | 60.0° |
C | CA | CB | HBC2 | 177.4° | 178.9° |
N | CA | CB | HA | 118.6° | 117.8° |
N | CA | CB | O25 | 65.9° | 178.1° |
N | CA | C | OXT | 8.8° | 146.4° |
CA | N | HN1 | HN2 | 120.0° | 166.4° |
N | CA | CB | HBC1 | 174.1° | 59.4° |
N | CA | CB | HBC2 | 54.5° | 61.7° |
CA | CB | O25 | HBC1 | 120.0° | 120.7° |
CA | CB | O25 | HBC2 | 120.4° | 121.9° |
CA | CB | O25 | P24 | 177.9° | 180.0° |
CB | CA | C | OXT | 112.6° | 91.6° |
CB | CA | N | HN1 | 66.4° | 46.5° |
CB | CA | N | HN2 | 173.6° | 146.8° |
CA | CB | HBC1 | HBC2 | 120.4° | 122.9° |
CB | O25 | P24 | O23 | 12.1° | 174.1° |
CB | O25 | P24 | O26 | 109.4° | 60.0° |
CB | O25 | P24 | O27 | 127.4° | 66.3° |
O25 | CB | CA | HA | 175.5° | 64.1° |
O25 | CB | HBC1 | HBC2 | 120.4° | 117.5° |
O25 | P24 | O23 | O26 | 120.8° | 126.6° |
O25 | P24 | O23 | O27 | 112.2° | 107.7° |
O25 | P24 | O26 | O27 | 118.0° | 119.8° |
O25 | P24 | O27 | C28 | 34.3° | 53.8° |
P24 | O25 | CB | HBC1 | 57.9° | 59.3° |
P24 | O25 | CB | HBC2 | 61.8° | 58.1° |
O25 | P24 | O23 | H23 | 177.1° | 172.3° |
O23 | P24 | O26 | O27 | 124.6° | 119.3° |
O23 | P24 | O27 | C28 | 146.7° | 54.9° |
O26 | P24 | O27 | C28 | 87.1° | 180.0° |
O26 | P24 | O23 | H23 | 62.0° | 45.7° |
P24 | O27 | C28 | C29 | 177.0° | 180.0° |
O27 | P24 | O23 | H23 | 65.0° | 80.1° |
P24 | O27 | C28 | H281 | 57.0° | 58.4° |
P24 | O27 | C28 | H282 | 64.1° | 58.1° |
O27 | C28 | C29 | H281 | 120.0° | 119.5° |
O27 | C28 | C29 | H282 | 118.9° | 119.9° |
O27 | C28 | C29 | C30 | 177.3° | 59.5° |
O27 | C28 | C29 | C31 | 61.9° | 57.9° |
O27 | C28 | C29 | C32 | 57.8° | 177.3° |
O27 | C28 | H281 | H282 | 119.0° | 116.2° |
C28 | C29 | C30 | C31 | 121.2° | 118.2° |
C28 | C29 | C30 | C32 | 115.2° | 123.3° |
C28 | C29 | C31 | C32 | 115.7° | 121.1° |
C28 | C29 | C32 | O33 | 53.0° | 57.0° |
C28 | C29 | C32 | C34 | 178.4° | 62.5° |
C29 | C28 | H281 | H282 | 118.9° | 122.2° |
C28 | C29 | C30 | H301 | 47.8° | 64.9° |
C28 | C29 | C30 | H302 | 72.2° | 175.4° |
C28 | C29 | C30 | H303 | 167.8° | 54.7° |
C28 | C29 | C31 | H311 | 146.2° | 63.3° |
C28 | C29 | C31 | H312 | 26.2° | 56.9° |
C28 | C29 | C31 | H313 | 93.8° | 177.1° |
C28 | C29 | C32 | H32 | 66.4° | 174.6° |
C30 | C29 | C31 | C32 | 123.7° | 120.1° |
C30 | C29 | C32 | O33 | 65.2° | 179.5° |
C30 | C29 | C32 | C34 | 60.3° | 60.0° |
C30 | C29 | C28 | H281 | 57.2° | 60.0° |
C30 | C29 | C28 | H282 | 63.8° | 179.4° |
C29 | C30 | H301 | H302 | 120.0° | 121.8° |
C29 | C30 | H301 | H303 | 120.0° | 122.4° |
C29 | C30 | H302 | H303 | 120.0° | 122.7° |
C30 | C29 | C31 | H311 | 25.6° | 55.6° |
C30 | C29 | C31 | H312 | 94.4° | 175.8° |
C30 | C29 | C31 | H313 | 145.5° | 64.0° |
C30 | C29 | C32 | H32 | 175.5° | 63.0° |
C31 | C29 | C32 | O33 | 172.1° | 62.6° |
C31 | C29 | C32 | C34 | 62.4° | 177.9° |
C31 | C29 | C28 | H281 | 178.1° | 177.3° |
C31 | C29 | C28 | H282 | 57.1° | 62.0° |
C31 | C29 | C30 | H301 | 169.0° | 53.3° |
C31 | C29 | C30 | H302 | 49.0° | 66.4° |
C31 | C29 | C30 | H303 | 71.0° | 172.9° |
C29 | C31 | H311 | H312 | 120.0° | 122.6° |
C29 | C31 | H311 | H313 | 120.0° | 121.7° |
C29 | C31 | H312 | H313 | 120.0° | 122.0° |
C31 | C29 | C32 | H32 | 52.8° | 54.9° |
C29 | C32 | O33 | C34 | 128.1° | 124.2° |
C29 | C32 | O33 | H32 | 116.1° | 119.2° |
C29 | C32 | C34 | H32 | 115.5° | 123.3° |
C29 | C32 | C34 | O35 | 57.5° | 86.7° |
C29 | C32 | C34 | N36 | 126.8° | 94.5° |
C32 | C29 | C28 | H281 | 62.2° | 63.2° |
C32 | C29 | C28 | H282 | 176.8° | 57.4° |
C32 | C29 | C30 | H301 | 67.4° | 171.8° |
C32 | C29 | C30 | H302 | 172.6° | 52.2° |
C32 | C29 | C30 | H303 | 52.6° | 68.5° |
C32 | C29 | C31 | H311 | 98.1° | 175.7° |
C32 | C29 | C31 | H312 | 141.9° | 64.1° |
C32 | C29 | C31 | H313 | 21.9° | 56.1° |
C29 | C32 | O33 | H33 | 95.4° | 41.6° |
O33 | C32 | C34 | H32 | 119.3° | 115.3° |
O33 | C32 | C34 | O35 | 177.3° | 34.7° |
O33 | C32 | C34 | N36 | 1.6° | 144.1° |
C32 | C34 | O35 | N36 | 175.3° | 178.7° |
C34 | C32 | O33 | H33 | 136.5° | 165.8° |
C32 | C34 | N36 | H361 | 1.9° | 179.7° |
C32 | C34 | N36 | H362 | 178.1° | 0.3° |
O35 | C34 | C32 | H32 | 58.0° | 150.0° |
O35 | C34 | N36 | H361 | 177.4° | 0.9° |
O35 | C34 | N36 | H362 | 2.6° | 179.2° |
N36 | C34 | C32 | H32 | 117.7° | 28.8° |
C34 | N36 | H361 | H362 | 180.0° | 180.0° |
OXT | C | CA | HA | 127.3° | 32.3° |
HA | CA | N | HN1 | 53.7° | 168.1° |
HA | CA | N | HN2 | 66.3° | 25.3° |
HA | CA | CB | HBC1 | 55.5° | 177.2° |
HA | CA | CB | HBC2 | 64.1° | 56.1° |
H301 | C30 | H302 | H303 | 120.0° | 115.1° |
H311 | C31 | H312 | H313 | 119.9° | 115.3° |
H32 | C32 | O33 | H33 | 20.7° | 77.6° |