CR0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | CA1 | sing | 1.47Å | 1.50Å | |
N1 | H | sing | 1.01Å | 1.00Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
CA1 | CB1 | sing | 1.53Å | 1.56Å | |
CA1 | C1 | sing | 1.53Å | 1.52Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CB1 | CG1 | sing | 1.53Å | 1.52Å | |
CB1 | OG1 | sing | 1.43Å | 1.43Å | |
CB1 | HB1 | sing | 1.09Å | 1.10Å | |
CG1 | HG11 | sing | 1.09Å | 1.10Å | |
CG1 | HG12 | sing | 1.09Å | 1.10Å | |
CG1 | HG13 | sing | 1.09Å | 1.10Å | |
OG1 | HG1 | sing | 0.97Å | 0.95Å | |
C1 | N2 | sing | 1.47Å | 1.50Å | |
C1 | N3 | sing | 1.47Å | 1.46Å | |
C1 | OE1 | sing | 1.43Å | 1.39Å | |
N2 | CA2 | doub | 1.28Å | 1.43Å | |
N3 | C2 | sing | 1.35Å | 1.40Å | |
N3 | CA3 | sing | 1.47Å | 1.46Å | |
C2 | O2 | doub | 1.21Å | 1.20Å | |
C2 | CA2 | sing | 1.48Å | 1.51Å | |
CA2 | CB2 | sing | 1.51Å | 1.53Å | |
CA3 | C3 | sing | 1.51Å | 1.50Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
C3 | O3 | doub | 1.21Å | 1.20Å | |
CB2 | CG2 | sing | 1.53Å | 1.54Å | |
CB2 | HB21 | sing | 1.09Å | 1.10Å | |
CB2 | HB22 | sing | 1.09Å | 1.10Å | |
CG2 | CD1 | sing | 1.53Å | 1.51Å | |
CG2 | CD2 | sing | 1.53Å | 1.57Å | |
CG2 | HG2 | sing | 1.09Å | 1.10Å | |
CD1 | HD11 | sing | 1.09Å | 1.10Å | |
CD1 | HD12 | sing | 1.09Å | 1.10Å | |
CD1 | HD13 | sing | 1.09Å | 1.10Å | |
CD2 | HD21 | sing | 1.09Å | 1.10Å | |
CD2 | HD22 | sing | 1.09Å | 1.10Å | |
CD2 | HD23 | sing | 1.09Å | 1.10Å | |
OE1 | HE1 | sing | 0.97Å | 0.95Å | |
C3 | OXT | sing | 1.34Å | 52.21Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA1 | N1 | H | 109.5° | 111.0° |
CA1 | N1 | H2 | 109.4° | 111.0° |
N1 | CA1 | CB1 | 113.8° | 109.4° |
N1 | CA1 | C1 | 116.0° | 109.5° |
N1 | CA1 | HA1 | 104.7° | 109.5° |
H | N1 | H2 | 109.4° | 111.0° |
CB1 | CA1 | C1 | 112.2° | 109.4° |
CB1 | CA1 | HA1 | 104.1° | 109.4° |
CA1 | CB1 | CG1 | 110.9° | 109.5° |
CA1 | CB1 | OG1 | 111.6° | 109.5° |
CA1 | CB1 | HB1 | 107.9° | 109.4° |
C1 | CA1 | HA1 | 104.5° | 109.5° |
CA1 | C1 | N2 | 111.3° | 110.1° |
CA1 | C1 | N3 | 115.9° | 110.0° |
CA1 | C1 | OE1 | 111.1° | 110.1° |
CG1 | CB1 | OG1 | 108.4° | 109.5° |
CG1 | CB1 | HB1 | 108.4° | 109.5° |
CB1 | CG1 | HG11 | 109.5° | 109.5° |
CB1 | CG1 | HG12 | 109.5° | 109.5° |
CB1 | CG1 | HG13 | 109.5° | 109.5° |
OG1 | CB1 | HB1 | 109.6° | 109.5° |
CB1 | OG1 | HG1 | 109.5° | 114.0° |
HG11 | CG1 | HG12 | 109.4° | 109.5° |
HG11 | CG1 | HG13 | 109.5° | 109.4° |
HG12 | CG1 | HG13 | 109.5° | 109.5° |
N2 | C1 | N3 | 105.6° | 106.4° |
N2 | C1 | OE1 | 98.0° | 110.1° |
C1 | N2 | CA2 | 105.1° | 108.6° |
N3 | C1 | OE1 | 113.3° | 110.1° |
C1 | N3 | C2 | 113.6° | 106.2° |
C1 | N3 | CA3 | 125.1° | 126.9° |
C1 | OE1 | HE1 | 109.5° | 114.0° |
N2 | CA2 | C2 | 112.0° | 110.2° |
N2 | CA2 | CB2 | 122.1° | 124.9° |
C2 | N3 | CA3 | 121.3° | 126.8° |
N3 | C2 | O2 | 127.0° | 125.8° |
N3 | C2 | CA2 | 102.8° | 108.5° |
N3 | CA3 | C3 | 116.2° | 109.5° |
N3 | CA3 | HA31 | 107.8° | 109.5° |
N3 | CA3 | HA32 | 107.8° | 109.4° |
O2 | C2 | CA2 | 130.1° | 125.7° |
C2 | CA2 | CB2 | 125.4° | 124.9° |
CA2 | CB2 | CG2 | 118.8° | 109.5° |
CA2 | CB2 | HB21 | 107.1° | 109.5° |
CA2 | CB2 | HB22 | 107.1° | 109.5° |
C3 | CA3 | HA31 | 107.8° | 109.5° |
C3 | CA3 | HA32 | 107.7° | 109.5° |
CA3 | C3 | O3 | 121.1° | 120.0° |
CA3 | C3 | OXT | 96.0° | 120.0° |
HA31 | CA3 | HA32 | 109.5° | 109.5° |
O3 | C3 | OXT | 101.4° | 120.0° |
CG2 | CB2 | HB21 | 107.1° | 109.5° |
CG2 | CB2 | HB22 | 107.1° | 109.5° |
CB2 | CG2 | CD1 | 112.6° | 109.5° |
CB2 | CG2 | CD2 | 107.2° | 109.4° |
CB2 | CG2 | HG2 | 108.6° | 109.5° |
HB21 | CB2 | HB22 | 109.5° | 109.5° |
CD1 | CG2 | CD2 | 111.0° | 109.5° |
CD1 | CG2 | HG2 | 109.0° | 109.5° |
CG2 | CD1 | HD11 | 109.5° | 109.5° |
CG2 | CD1 | HD12 | 109.5° | 109.5° |
CG2 | CD1 | HD13 | 109.5° | 109.5° |
CD2 | CG2 | HG2 | 108.3° | 109.5° |
CG2 | CD2 | HD21 | 109.5° | 109.4° |
CG2 | CD2 | HD22 | 109.5° | 109.5° |
CG2 | CD2 | HD23 | 109.4° | 109.5° |
HD11 | CD1 | HD12 | 109.5° | 109.5° |
HD11 | CD1 | HD13 | 109.5° | 109.4° |
HD12 | CD1 | HD13 | 109.5° | 109.5° |
HD21 | CD2 | HD22 | 109.4° | 109.5° |
HD21 | CD2 | HD23 | 109.5° | 109.5° |
HD22 | CD2 | HD23 | 109.5° | 109.5° |
C3 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA1 | N1 | H | H2 | 120.0° | 124.0° |
N1 | CA1 | CB1 | C1 | 134.1° | 120.0° |
N1 | CA1 | CB1 | HA1 | 113.4° | 120.0° |
N1 | CA1 | C1 | HA1 | 114.7° | 120.1° |
N1 | CA1 | CB1 | CG1 | 60.0° | 60.6° |
N1 | CA1 | CB1 | OG1 | 61.0° | 59.4° |
N1 | CA1 | CB1 | HB1 | 178.6° | 179.4° |
N1 | CA1 | C1 | N2 | 85.8° | 53.9° |
N1 | CA1 | C1 | N3 | 34.9° | 63.1° |
N1 | CA1 | C1 | OE1 | 166.1° | 175.4° |
H | N1 | CA1 | CB1 | 180.0° | 60.0° |
H | N1 | CA1 | C1 | 47.6° | 59.9° |
H | N1 | CA1 | HA1 | 66.9° | 180.0° |
H2 | N1 | CA1 | CB1 | 60.0° | 64.0° |
H2 | N1 | CA1 | C1 | 72.3° | 176.0° |
H2 | N1 | CA1 | HA1 | 173.1° | 55.9° |
CB1 | CA1 | C1 | HA1 | 112.2° | 120.0° |
CA1 | CB1 | CG1 | OG1 | 122.8° | 120.0° |
CA1 | CB1 | CG1 | HB1 | 118.3° | 120.0° |
CA1 | CB1 | OG1 | HB1 | 119.4° | 120.0° |
CA1 | CB1 | CG1 | HG11 | 180.0° | 60.0° |
CA1 | CB1 | CG1 | HG12 | 60.0° | 180.0° |
CA1 | CB1 | CG1 | HG13 | 60.0° | 59.9° |
CA1 | CB1 | OG1 | HG1 | 180.0° | 55.6° |
CB1 | CA1 | C1 | N2 | 47.3° | 66.1° |
CB1 | CA1 | C1 | N3 | 167.9° | 176.9° |
CB1 | CA1 | C1 | OE1 | 60.8° | 55.5° |
C1 | CA1 | CB1 | CG1 | 165.9° | 179.5° |
C1 | CA1 | CB1 | OG1 | 73.2° | 60.6° |
C1 | CA1 | CB1 | HB1 | 47.3° | 59.4° |
CA1 | C1 | N2 | N3 | 126.6° | 119.2° |
CA1 | C1 | N2 | OE1 | 116.5° | 121.5° |
CA1 | C1 | N3 | OE1 | 130.2° | 121.5° |
CA1 | C1 | N2 | CA2 | 135.8° | 119.2° |
CA1 | C1 | N3 | C2 | 133.1° | 119.2° |
CA1 | C1 | N3 | CA3 | 47.0° | 60.8° |
CA1 | C1 | OE1 | HE1 | 180.0° | 180.0° |
HA1 | CA1 | CB1 | CG1 | 53.4° | 59.4° |
HA1 | CA1 | CB1 | OG1 | 174.4° | 179.4° |
HA1 | CA1 | CB1 | HB1 | 65.2° | 60.6° |
HA1 | CA1 | C1 | N2 | 159.5° | 173.9° |
HA1 | CA1 | C1 | N3 | 79.8° | 57.0° |
HA1 | CA1 | C1 | OE1 | 51.4° | 64.5° |
CG1 | CB1 | OG1 | HB1 | 118.2° | 120.1° |
CB1 | CG1 | HG11 | HG12 | 120.0° | 120.1° |
CB1 | CG1 | HG11 | HG13 | 120.0° | 120.0° |
CB1 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
CG1 | CB1 | OG1 | HG1 | 57.6° | 64.4° |
OG1 | CB1 | CG1 | HG11 | 57.2° | 60.0° |
OG1 | CB1 | CG1 | HG12 | 177.2° | 60.1° |
OG1 | CB1 | CG1 | HG13 | 62.8° | 179.9° |
HB1 | CB1 | CG1 | HG11 | 61.7° | 180.0° |
HB1 | CB1 | CG1 | HG12 | 58.3° | 60.0° |
HB1 | CB1 | CG1 | HG13 | 178.3° | 60.0° |
HB1 | CB1 | OG1 | HG1 | 60.6° | 175.5° |
HG11 | CG1 | HG12 | HG13 | 120.0° | 119.9° |
N2 | C1 | N3 | OE1 | 106.1° | 119.3° |
N2 | C1 | N3 | C2 | 9.4° | 0.0° |
N2 | C1 | N3 | CA3 | 170.7° | 180.0° |
C1 | N2 | CA2 | C2 | 6.6° | 0.0° |
C1 | N2 | CA2 | CB2 | 178.8° | 180.0° |
N2 | C1 | OE1 | HE1 | 63.4° | 58.5° |
N3 | C1 | N2 | CA2 | 9.2° | 0.0° |
C1 | N3 | C2 | CA3 | 180.0° | 180.0° |
C1 | N3 | C2 | O2 | 171.1° | 180.0° |
C1 | N3 | C2 | CA2 | 5.2° | 0.0° |
C1 | N3 | CA3 | C3 | 83.5° | 90.0° |
C1 | N3 | CA3 | HA31 | 155.6° | 150.0° |
C1 | N3 | CA3 | HA32 | 37.5° | 30.0° |
N3 | C1 | OE1 | HE1 | 47.4° | 58.5° |
OE1 | C1 | N2 | CA2 | 107.7° | 119.3° |
OE1 | C1 | N3 | C2 | 96.7° | 119.3° |
OE1 | C1 | N3 | CA3 | 83.2° | 60.7° |
N2 | CA2 | C2 | N3 | 1.1° | 0.0° |
N2 | CA2 | C2 | O2 | 177.3° | 180.0° |
N2 | CA2 | C2 | CB2 | 171.9° | 180.0° |
N2 | CA2 | CB2 | CG2 | 16.4° | 4.4° |
N2 | CA2 | CB2 | HB21 | 104.9° | 115.6° |
N2 | CA2 | CB2 | HB22 | 137.7° | 124.4° |
N3 | C2 | O2 | CA2 | 175.3° | 179.9° |
N3 | C2 | CA2 | CB2 | 173.0° | 180.0° |
C2 | N3 | CA3 | C3 | 96.5° | 90.0° |
C2 | N3 | CA3 | HA31 | 24.5° | 30.0° |
C2 | N3 | CA3 | HA32 | 142.5° | 150.0° |
CA3 | N3 | C2 | O2 | 8.8° | 0.0° |
CA3 | N3 | C2 | CA2 | 174.8° | 180.0° |
N3 | CA3 | C3 | HA31 | 121.0° | 120.0° |
N3 | CA3 | C3 | HA32 | 121.0° | 120.0° |
N3 | CA3 | HA31 | HA32 | 117.0° | 120.0° |
N3 | CA3 | C3 | O3 | 143.6° | 0.0° |
N3 | CA3 | C3 | OXT | 109.3° | 180.0° |
O2 | C2 | CA2 | CB2 | 10.8° | 0.0° |
C2 | CA2 | CB2 | CG2 | 172.5° | 175.6° |
C2 | CA2 | CB2 | HB21 | 66.2° | 64.4° |
C2 | CA2 | CB2 | HB22 | 51.2° | 55.6° |
CA2 | CB2 | CG2 | HB21 | 121.3° | 120.0° |
CA2 | CB2 | CG2 | HB22 | 121.4° | 120.0° |
CA2 | CB2 | HB21 | HB22 | 115.8° | 120.0° |
CA2 | CB2 | CG2 | CD1 | 70.3° | 66.8° |
CA2 | CB2 | CG2 | CD2 | 167.3° | 173.2° |
CA2 | CB2 | CG2 | HG2 | 50.5° | 53.2° |
C3 | CA3 | HA31 | HA32 | 116.9° | 120.0° |
CA3 | C3 | O3 | OXT | 104.2° | 180.0° |
CA3 | C3 | OXT | HXT | 90.0° | 180.0° |
HA31 | CA3 | C3 | O3 | 22.6° | 120.0° |
HA31 | CA3 | C3 | OXT | 129.7° | 60.0° |
HA32 | CA3 | C3 | O3 | 95.5° | 120.0° |
HA32 | CA3 | C3 | OXT | 11.7° | 60.0° |
O3 | C3 | OXT | HXT | 90.0° | 0.0° |
CG2 | CB2 | HB21 | HB22 | 115.8° | 120.0° |
CB2 | CG2 | CD1 | CD2 | 120.2° | 120.0° |
CB2 | CG2 | CD1 | HG2 | 120.6° | 120.0° |
CB2 | CG2 | CD2 | HG2 | 117.0° | 120.0° |
CB2 | CG2 | CD1 | HD11 | 180.0° | 65.1° |
CB2 | CG2 | CD1 | HD12 | 60.0° | 174.9° |
CB2 | CG2 | CD1 | HD13 | 60.0° | 54.8° |
CB2 | CG2 | CD2 | HD21 | 180.0° | 60.0° |
CB2 | CG2 | CD2 | HD22 | 60.0° | 180.0° |
CB2 | CG2 | CD2 | HD23 | 60.0° | 60.0° |
HB21 | CB2 | CG2 | CD1 | 51.0° | 53.2° |
HB21 | CB2 | CG2 | CD2 | 71.4° | 66.8° |
HB21 | CB2 | CG2 | HG2 | 171.8° | 173.2° |
HB22 | CB2 | CG2 | CD1 | 168.3° | 173.2° |
HB22 | CB2 | CG2 | CD2 | 45.9° | 53.3° |
HB22 | CB2 | CG2 | HG2 | 70.9° | 66.7° |
CD1 | CG2 | CD2 | HG2 | 119.6° | 120.0° |
CG2 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
CG2 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
CG2 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
CD1 | CG2 | CD2 | HD21 | 56.6° | 180.0° |
CD1 | CG2 | CD2 | HD22 | 63.4° | 60.0° |
CD1 | CG2 | CD2 | HD23 | 176.6° | 60.0° |
CD2 | CG2 | CD1 | HD11 | 59.7° | 54.8° |
CD2 | CG2 | CD1 | HD12 | 179.8° | 65.2° |
CD2 | CG2 | CD1 | HD13 | 60.2° | 174.8° |
CG2 | CD2 | HD21 | HD22 | 120.0° | 120.0° |
CG2 | CD2 | HD21 | HD23 | 120.0° | 120.0° |
CG2 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
HG2 | CG2 | CD1 | HD11 | 59.4° | 174.8° |
HG2 | CG2 | CD1 | HD12 | 60.6° | 54.8° |
HG2 | CG2 | CD1 | HD13 | 179.4° | 65.2° |
HG2 | CG2 | CD2 | HD21 | 63.0° | 60.0° |
HG2 | CG2 | CD2 | HD22 | 177.0° | 60.0° |
HG2 | CG2 | CD2 | HD23 | 57.0° | NaN° |
HD11 | CD1 | HD12 | HD13 | 120.0° | 119.9° |
HD21 | CD2 | HD22 | HD23 | 120.0° | 120.1° |