GIP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | OT1 | sing | 1.34Å | 1.26Å | |
C | OT2 | doub | 1.21Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.56Å | |
OT1 | HOT1 | sing | 0.97Å | 0.95Å | |
N | CA | sing | 1.47Å | 1.48Å | |
N | H11N | sing | 1.01Å | 1.02Å | |
N | H12N | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.56Å | |
CA | HA1 | sing | 1.09Å | 1.12Å | |
CB | CG | sing | 1.53Å | 1.57Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CB2 | SG2 | sing | 1.81Å | 1.84Å | |
CB2 | CA2 | sing | 1.53Å | 1.53Å | |
CB2 | HB21 | sing | 1.09Å | 1.11Å | |
CB2 | HB22 | sing | 1.09Å | 1.11Å | |
SG2 | CD2 | sing | 1.81Å | 1.84Å | |
CG | CD | sing | 1.51Å | 1.53Å | |
CG | HG1 | sing | 1.09Å | 1.12Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
CD | OE | doub | 1.21Å | 1.23Å | |
CD | N2 | sing | 1.35Å | 1.34Å | |
N2 | CA2 | sing | 1.47Å | 1.49Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
CA2 | C2 | sing | 1.51Å | 1.58Å | |
CA2 | HA2 | sing | 1.09Å | 1.12Å | |
C2 | O2 | doub | 1.21Å | 1.24Å | |
C2 | N3 | sing | 1.35Å | 1.34Å | |
N3 | CA3 | sing | 1.47Å | 1.49Å | |
N3 | HN3 | sing | 0.97Å | 1.02Å | |
CA3 | C3 | sing | 1.51Å | 1.54Å | |
CA3 | HA31 | sing | 1.09Å | 1.11Å | |
CA3 | HA32 | sing | 1.09Å | 1.11Å | |
C3 | O31 | doub | 1.21Å | 1.25Å | |
C3 | O32 | sing | 1.34Å | 1.25Å | |
O32 | HO31 | sing | 0.97Å | 0.95Å | |
NE2 | OF2 | sing | 1.42Å | 1.29Å | |
NE2 | CD2 | sing | 1.47Å | 1.33Å | |
NE2 | CG2 | sing | 1.40Å | 1.47Å | |
OF2 | HOF2 | sing | 0.97Å | 0.95Å | |
CD2 | OZ1 | sing | 1.43Å | 1.22Å | |
CD2 | HD2 | sing | 1.09Å | 1.12Å | |
OZ1 | HOZ1 | sing | 0.97Å | 0.95Å | |
CG2 | CL1 | doub | 1.39Å | 1.40Å | Aromatic |
CG2 | CL2 | sing | 1.39Å | 1.39Å | Aromatic |
CL1 | CM1 | sing | 1.38Å | 1.40Å | Aromatic |
CL1 | HL1 | sing | 1.08Å | 1.10Å | |
CL2 | CM2 | doub | 1.38Å | 1.40Å | Aromatic |
CL2 | HL2 | sing | 1.08Å | 1.10Å | |
CM1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
CM1 | HM1 | sing | 1.08Å | 1.10Å | |
CM2 | CZ | sing | 1.38Å | 1.36Å | Aromatic |
CM2 | HM2 | sing | 1.08Å | 1.10Å | |
CZ | I | sing | 2.09Å | 2.15Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OT1 | C | OT2 | 120.6° | 120.0° |
OT1 | C | CA | 120.5° | 120.1° |
C | OT1 | HOT1 | 120.5° | 120.0° |
OT2 | C | CA | 118.9° | 119.9° |
C | CA | N | 113.4° | 109.5° |
C | CA | CB | 111.0° | 109.5° |
C | CA | HA1 | 104.8° | 109.4° |
CA | N | H11N | 113.3° | 106.7° |
CA | N | H12N | 110.8° | 106.7° |
N | CA | CB | 106.4° | 109.5° |
N | CA | HA1 | 109.5° | 109.5° |
H11N | N | H12N | 110.8° | 106.6° |
CB | CA | HA1 | 111.9° | 109.4° |
CA | CB | CG | 114.1° | 109.5° |
CA | CB | HB1 | 110.5° | 109.4° |
CA | CB | HB2 | 110.5° | 109.5° |
CG | CB | HB1 | 110.5° | 109.5° |
CG | CB | HB2 | 110.5° | 109.5° |
CB | CG | CD | 115.3° | 109.5° |
CB | CG | HG1 | 110.1° | 109.5° |
CB | CG | HG2 | 110.1° | 109.5° |
HB1 | CB | HB2 | 99.8° | 109.5° |
SG2 | CB2 | CA2 | 113.7° | 109.5° |
SG2 | CB2 | HB21 | 110.6° | 109.4° |
SG2 | CB2 | HB22 | 110.6° | 109.5° |
CB2 | SG2 | CD2 | 104.3° | 100.0° |
CA2 | CB2 | HB21 | 110.7° | 109.5° |
CA2 | CB2 | HB22 | 110.7° | 109.5° |
CB2 | CA2 | N2 | 107.0° | 109.5° |
CB2 | CA2 | C2 | 108.7° | 109.4° |
CB2 | CA2 | HA2 | 113.5° | 109.5° |
HB21 | CB2 | HB22 | 99.7° | 109.4° |
SG2 | CD2 | NE2 | 124.5° | 109.5° |
SG2 | CD2 | OZ1 | 113.3° | 109.5° |
SG2 | CD2 | HD2 | 106.4° | 109.5° |
CD | CG | HG1 | 110.1° | 109.4° |
CD | CG | HG2 | 110.1° | 109.4° |
CG | CD | OE | 121.0° | 120.0° |
CG | CD | N2 | 118.1° | 120.1° |
HG1 | CG | HG2 | 100.1° | 109.4° |
OE | CD | N2 | 120.9° | 120.0° |
CD | N2 | CA2 | 115.8° | 120.0° |
CD | N2 | HN21 | 117.2° | 120.0° |
CA2 | N2 | HN21 | 127.0° | 120.0° |
N2 | CA2 | C2 | 114.5° | 109.5° |
N2 | CA2 | HA2 | 107.5° | 109.4° |
C2 | CA2 | HA2 | 105.9° | 109.5° |
CA2 | C2 | O2 | 121.6° | 120.0° |
CA2 | C2 | N3 | 113.1° | 120.0° |
O2 | C2 | N3 | 124.8° | 120.0° |
C2 | N3 | CA3 | 121.9° | 120.0° |
C2 | N3 | HN3 | 113.4° | 120.0° |
CA3 | N3 | HN3 | 124.7° | 119.9° |
N3 | CA3 | C3 | 108.6° | 109.5° |
N3 | CA3 | HA31 | 112.5° | 109.4° |
N3 | CA3 | HA32 | 112.5° | 109.4° |
C3 | CA3 | HA31 | 112.6° | 109.5° |
C3 | CA3 | HA32 | 112.6° | 109.5° |
CA3 | C3 | O31 | 117.3° | 120.0° |
CA3 | C3 | O32 | 118.2° | 120.0° |
HA31 | CA3 | HA32 | 97.9° | 109.4° |
O31 | C3 | O32 | 124.5° | 120.0° |
C3 | O32 | HO31 | 118.1° | 120.0° |
OF2 | NE2 | CD2 | 120.4° | 120.0° |
OF2 | NE2 | CG2 | 122.5° | 120.1° |
NE2 | OF2 | HOF2 | 120.4° | 106.9° |
CD2 | NE2 | CG2 | 117.0° | 120.0° |
NE2 | CD2 | OZ1 | 121.9° | 109.4° |
NE2 | CD2 | HD2 | 44.6° | 109.4° |
NE2 | CG2 | CL1 | 120.8° | 120.0° |
NE2 | CG2 | CL2 | 117.5° | 120.1° |
OZ1 | CD2 | HD2 | 124.4° | 109.5° |
CD2 | OZ1 | HOZ1 | 113.3° | 106.7° |
CL1 | CG2 | CL2 | 121.6° | 119.8° |
CG2 | CL1 | CM1 | 118.2° | 120.0° |
CG2 | CL1 | HL1 | 121.1° | 120.0° |
CG2 | CL2 | CM2 | 119.9° | 119.9° |
CG2 | CL2 | HL2 | 119.5° | 120.0° |
CM1 | CL1 | HL1 | 120.6° | 120.0° |
CL1 | CM1 | CZ | 118.5° | 120.1° |
CL1 | CM1 | HM1 | 121.0° | 120.0° |
CM2 | CL2 | HL2 | 120.6° | 120.0° |
CL2 | CM2 | CZ | 117.6° | 120.1° |
CL2 | CM2 | HM2 | 122.8° | 120.0° |
CZ | CM1 | HM1 | 120.5° | 119.9° |
CM1 | CZ | CM2 | 124.2° | 120.1° |
CM1 | CZ | I | 116.2° | 120.0° |
CZ | CM2 | HM2 | 119.7° | 119.9° |
CM2 | CZ | I | 119.6° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OT1 | C | OT2 | CA | 179.6° | 180.0° |
OT1 | C | CA | N | 26.3° | 150.0° |
OT1 | C | CA | CB | 93.4° | 90.0° |
OT1 | C | CA | HA1 | 145.6° | 29.9° |
OT2 | C | OT1 | HOT1 | 180.0° | 0.1° |
OT2 | C | CA | N | 154.1° | 30.0° |
OT2 | C | CA | CB | 86.2° | 90.1° |
OT2 | C | CA | HA1 | 34.8° | 150.0° |
CA | C | OT1 | HOT1 | 0.4° | 179.9° |
C | CA | N | CB | 122.2° | 120.1° |
C | CA | N | HA1 | 116.6° | 120.0° |
C | CA | N | H11N | 180.0° | 60.1° |
C | CA | N | H12N | 54.8° | 173.8° |
C | CA | CB | HA1 | 116.7° | 119.9° |
C | CA | CB | CG | 65.5° | 180.0° |
C | CA | CB | HB1 | 169.3° | 60.0° |
C | CA | CB | HB2 | 59.8° | 59.9° |
CA | N | H11N | H12N | 125.2° | 113.7° |
N | CA | CB | HA1 | 119.6° | 120.0° |
N | CA | CB | CG | 170.7° | 60.0° |
N | CA | CB | HB1 | 45.5° | 60.0° |
N | CA | CB | HB2 | 64.0° | 180.0° |
H11N | N | CA | CB | 57.8° | 60.0° |
H11N | N | CA | HA1 | 63.4° | 180.0° |
H12N | N | CA | CB | 67.5° | 53.7° |
H12N | N | CA | HA1 | 171.4° | 66.3° |
CA | CB | CG | HB1 | 125.2° | 119.9° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 116.4° | 120.0° |
CA | CB | CG | CD | 69.3° | 180.0° |
CA | CB | CG | HG1 | 165.4° | 60.0° |
CA | CB | CG | HG2 | 55.9° | 60.0° |
HA1 | CA | CB | CG | 51.2° | 60.1° |
HA1 | CA | CB | HB1 | 74.1° | 180.0° |
HA1 | CA | CB | HB2 | 176.4° | 60.0° |
CG | CB | HB1 | HB2 | 116.4° | 120.1° |
CB | CG | CD | HG1 | 125.3° | 120.0° |
CB | CG | CD | HG2 | 125.3° | 120.1° |
CB | CG | HG1 | HG2 | 116.0° | 120.0° |
CB | CG | CD | OE | 0.2° | 0.0° |
CB | CG | CD | N2 | 179.5° | 180.0° |
HB1 | CB | CG | CD | 55.9° | 60.1° |
HB1 | CB | CG | HG1 | 69.4° | 180.0° |
HB1 | CB | CG | HG2 | 178.9° | 60.0° |
HB2 | CB | CG | CD | 165.4° | 60.0° |
HB2 | CB | CG | HG1 | 40.1° | 60.0° |
HB2 | CB | CG | HG2 | 69.4° | NaN° |
SG2 | CB2 | CA2 | HB21 | 125.2° | 120.0° |
SG2 | CB2 | CA2 | HB22 | 125.2° | 120.0° |
SG2 | CB2 | HB21 | HB22 | 116.5° | 120.0° |
SG2 | CB2 | CA2 | N2 | 66.2° | 60.0° |
SG2 | CB2 | CA2 | C2 | 169.7° | 180.0° |
SG2 | CB2 | CA2 | HA2 | 52.3° | 60.0° |
CB2 | SG2 | CD2 | NE2 | 145.6° | 54.1° |
CB2 | SG2 | CD2 | OZ1 | 28.7° | 65.9° |
CB2 | SG2 | CD2 | HD2 | 168.8° | 174.1° |
CA2 | CB2 | HB21 | HB22 | 116.6° | 120.0° |
CA2 | CB2 | SG2 | CD2 | 140.7° | 179.5° |
CB2 | CA2 | N2 | CD | 179.6° | 150.0° |
CB2 | CA2 | N2 | C2 | 120.4° | 120.0° |
CB2 | CA2 | N2 | HA2 | 122.2° | 120.0° |
CB2 | CA2 | N2 | HN21 | 0.4° | 30.0° |
CB2 | CA2 | C2 | HA2 | 122.2° | 120.0° |
CB2 | CA2 | C2 | O2 | 81.0° | 90.0° |
CB2 | CA2 | C2 | N3 | 91.7° | 90.0° |
HB21 | CB2 | SG2 | CD2 | 94.0° | 59.5° |
HB21 | CB2 | CA2 | N2 | 168.6° | 60.0° |
HB21 | CB2 | CA2 | C2 | 44.5° | 60.0° |
HB21 | CB2 | CA2 | HA2 | 73.0° | 180.0° |
HB22 | CB2 | SG2 | CD2 | 15.5° | 60.5° |
HB22 | CB2 | CA2 | N2 | 59.1° | 180.0° |
HB22 | CB2 | CA2 | C2 | 65.0° | 60.0° |
HB22 | CB2 | CA2 | HA2 | 177.5° | 60.0° |
SG2 | CD2 | NE2 | OF2 | 174.6° | 96.7° |
SG2 | CD2 | NE2 | OZ1 | 173.8° | 120.0° |
SG2 | CD2 | NE2 | HD2 | 77.8° | 120.0° |
SG2 | CD2 | NE2 | CG2 | 8.3° | 83.3° |
SG2 | CD2 | OZ1 | HD2 | 131.8° | 120.1° |
SG2 | CD2 | OZ1 | HOZ1 | 180.0° | 52.0° |
CD | CG | HG1 | HG2 | 115.9° | 119.9° |
CG | CD | OE | N2 | 179.3° | 180.0° |
CG | CD | N2 | CA2 | 177.0° | 180.0° |
CG | CD | N2 | HN21 | 2.9° | 0.0° |
HG1 | CG | CD | OE | 125.1° | 120.0° |
HG1 | CG | CD | N2 | 54.2° | 60.0° |
HG2 | CG | CD | OE | 125.5° | 120.0° |
HG2 | CG | CD | N2 | 55.2° | 60.0° |
OE | CD | N2 | CA2 | 2.3° | 0.0° |
OE | CD | N2 | HN21 | 177.7° | 180.0° |
CD | N2 | CA2 | HN21 | 180.0° | 180.0° |
CD | N2 | CA2 | C2 | 59.2° | 90.0° |
CD | N2 | CA2 | HA2 | 58.2° | 30.0° |
N2 | CA2 | C2 | HA2 | 118.3° | 120.0° |
N2 | CA2 | C2 | O2 | 38.6° | 150.0° |
N2 | CA2 | C2 | N3 | 148.8° | 30.0° |
HN21 | N2 | CA2 | C2 | 120.8° | 90.0° |
HN21 | N2 | CA2 | HA2 | 121.8° | 150.0° |
CA2 | C2 | O2 | N3 | 171.8° | 180.0° |
CA2 | C2 | N3 | CA3 | 173.0° | 180.0° |
CA2 | C2 | N3 | HN3 | 7.0° | 0.0° |
HA2 | CA2 | C2 | O2 | 156.8° | 30.0° |
HA2 | CA2 | C2 | N3 | 30.5° | 150.0° |
O2 | C2 | N3 | CA3 | 0.6° | 0.0° |
O2 | C2 | N3 | HN3 | 179.4° | 179.9° |
C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
C2 | N3 | CA3 | C3 | 179.0° | 180.0° |
C2 | N3 | CA3 | HA31 | 53.7° | 60.0° |
C2 | N3 | CA3 | HA32 | 55.8° | 60.0° |
N3 | CA3 | C3 | HA31 | 125.2° | 120.0° |
N3 | CA3 | C3 | HA32 | 125.2° | 120.0° |
N3 | CA3 | HA31 | HA32 | 118.4° | 119.9° |
N3 | CA3 | C3 | O31 | 16.0° | 0.0° |
N3 | CA3 | C3 | O32 | 163.3° | 180.0° |
HN3 | N3 | CA3 | C3 | 1.0° | 0.0° |
HN3 | N3 | CA3 | HA31 | 126.3° | 120.0° |
HN3 | N3 | CA3 | HA32 | 124.2° | 120.1° |
C3 | CA3 | HA31 | HA32 | 118.5° | 120.1° |
CA3 | C3 | O31 | O32 | 179.3° | 180.0° |
CA3 | C3 | O32 | HO31 | 180.0° | 180.0° |
HA31 | CA3 | C3 | O31 | 109.2° | 120.0° |
HA31 | CA3 | C3 | O32 | 71.5° | 60.0° |
HA32 | CA3 | C3 | O31 | 141.3° | 120.0° |
HA32 | CA3 | C3 | O32 | 38.0° | 60.0° |
O31 | C3 | O32 | HO31 | 0.7° | 0.0° |
OF2 | NE2 | CD2 | CG2 | 177.1° | 180.0° |
OF2 | NE2 | CD2 | OZ1 | 0.8° | 23.3° |
OF2 | NE2 | CD2 | HD2 | 107.6° | 143.3° |
OF2 | NE2 | CG2 | CL1 | 103.9° | 4.8° |
OF2 | NE2 | CG2 | CL2 | 78.8° | 175.0° |
CD2 | NE2 | OF2 | HOF2 | 180.0° | 5.0° |
NE2 | CD2 | OZ1 | HD2 | 53.8° | 119.9° |
NE2 | CD2 | OZ1 | HOZ1 | 5.6° | 68.0° |
CD2 | NE2 | CG2 | CL1 | 79.0° | 175.2° |
CD2 | NE2 | CG2 | CL2 | 98.3° | 5.0° |
CG2 | NE2 | OF2 | HOF2 | 3.0° | 175.0° |
CG2 | NE2 | CD2 | OZ1 | 177.9° | 156.7° |
CG2 | NE2 | CD2 | HD2 | 69.5° | 36.7° |
NE2 | CG2 | CL1 | CL2 | 177.2° | 179.8° |
NE2 | CG2 | CL1 | CM1 | 177.9° | 180.0° |
NE2 | CG2 | CL1 | HL1 | 2.1° | 0.0° |
NE2 | CG2 | CL2 | CM2 | 178.9° | 179.7° |
NE2 | CG2 | CL2 | HL2 | 1.2° | 0.2° |
HD2 | CD2 | OZ1 | HOZ1 | 48.2° | 172.1° |
CG2 | CL1 | CM1 | HL1 | 180.0° | 180.0° |
CL1 | CG2 | CL2 | CM2 | 1.7° | 0.5° |
CL1 | CG2 | CL2 | HL2 | 178.4° | 180.0° |
CG2 | CL1 | CM1 | CZ | 0.0° | 0.0° |
CG2 | CL1 | CM1 | HM1 | 180.0° | 180.0° |
CL2 | CG2 | CL1 | CM1 | 0.7° | 0.3° |
CL2 | CG2 | CL1 | HL1 | 179.3° | 179.8° |
CG2 | CL2 | CM2 | HL2 | 179.9° | 179.5° |
CG2 | CL2 | CM2 | CZ | 1.8° | 0.6° |
CG2 | CL2 | CM2 | HM2 | 178.1° | 179.7° |
CL1 | CM1 | CZ | HM1 | 180.0° | 180.0° |
CL1 | CM1 | CZ | CM2 | 0.3° | 0.0° |
CL1 | CM1 | CZ | I | 179.1° | 180.0° |
HL1 | CL1 | CM1 | CZ | 180.0° | 180.0° |
HL1 | CL1 | CM1 | HM1 | 0.0° | 0.0° |
CL2 | CM2 | CZ | CM1 | 1.2° | 0.3° |
CL2 | CM2 | CZ | HM2 | 180.0° | 179.7° |
CL2 | CM2 | CZ | I | 180.0° | 179.7° |
HL2 | CL2 | CM2 | CZ | 178.2° | 180.0° |
HL2 | CL2 | CM2 | HM2 | 1.8° | 0.2° |
CM1 | CZ | CM2 | I | 178.8° | 180.0° |
CM1 | CZ | CM2 | HM2 | 178.8° | 180.0° |
HM1 | CM1 | CZ | CM2 | 179.7° | 180.0° |
HM1 | CM1 | CZ | I | 0.9° | 0.0° |
HM2 | CM2 | CZ | I | 0.0° | 0.0° |