99T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C3 | doub | 1.21Å | 1.26Å | |
| O31 | C3 | sing | 1.34Å | 1.27Å | |
| C3 | CA3 | sing | 1.51Å | 1.49Å | |
| CA3 | N3 | sing | 1.47Å | 1.43Å | |
| N3 | C2 | sing | 1.35Å | 1.42Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | CA2 | sing | 1.51Å | 1.49Å | |
| O11 | C10 | doub | 1.21Å | 1.26Å | |
| C10 | C09 | sing | 1.51Å | 1.48Å | |
| C10 | O12 | sing | 1.34Å | 1.26Å | |
| C09 | C08 | sing | 1.53Å | 1.49Å | |
| OE1 | CD1 | doub | 1.21Å | 1.24Å | |
| CA2 | CB2 | sing | 1.53Å | 1.49Å | |
| CA2 | N2 | sing | 1.46Å | 1.43Å | |
| CB2 | SG2 | sing | 1.81Å | 1.76Å | |
| CD1 | N2 | sing | 1.35Å | 1.41Å | |
| CD1 | CG1 | sing | 1.51Å | 1.48Å | |
| C08 | SG2 | sing | 1.81Å | 1.77Å | |
| CB1 | CG1 | sing | 1.53Å | 1.49Å | |
| CB1 | CA1 | sing | 1.53Å | 1.50Å | |
| N1 | CA1 | sing | 1.47Å | 1.44Å | |
| CA1 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | O02 | doub | 1.21Å | 1.26Å | |
| C1 | O01 | sing | 1.34Å | 1.26Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å | |
| CA3 | H2 | sing | 1.09Å | 1.10Å | |
| CA3 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| CA2 | H5 | sing | 1.09Å | 1.10Å | |
| CB2 | H6 | sing | 1.09Å | 1.10Å | |
| CB2 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| CG1 | H9 | sing | 1.09Å | 1.10Å | |
| CG1 | H10 | sing | 1.09Å | 1.10Å | |
| CB1 | H11 | sing | 1.09Å | 1.10Å | |
| CB1 | H12 | sing | 1.09Å | 1.10Å | |
| CA1 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 1.01Å | 1.00Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| O01 | H17 | sing | 0.97Å | 0.95Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| O12 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C3 | O31 | 120.5° | 120.0° |
| O32 | C3 | CA3 | 120.0° | 120.0° |
| O31 | C3 | CA3 | 119.6° | 120.0° |
| C3 | O31 | H1 | 109.5° | 117.0° |
| C3 | CA3 | N3 | 115.3° | 109.4° |
| C3 | CA3 | H2 | 108.0° | 109.5° |
| C3 | CA3 | H3 | 108.0° | 109.5° |
| CA3 | N3 | C2 | 121.8° | 120.0° |
| N3 | CA3 | H2 | 108.0° | 109.5° |
| N3 | CA3 | H3 | 108.0° | 109.4° |
| CA3 | N3 | H4 | 119.1° | 120.0° |
| N3 | C2 | O2 | 119.8° | 120.0° |
| N3 | C2 | CA2 | 118.6° | 120.0° |
| C2 | N3 | H4 | 119.1° | 120.1° |
| O2 | C2 | CA2 | 121.6° | 120.0° |
| C2 | CA2 | CB2 | 110.4° | 109.5° |
| C2 | CA2 | N2 | 106.0° | 109.5° |
| C2 | CA2 | H5 | 108.9° | 109.5° |
| O11 | C10 | C09 | 119.8° | 120.0° |
| O11 | C10 | O12 | 121.0° | 120.0° |
| C09 | C10 | O12 | 119.2° | 120.0° |
| C10 | C09 | C08 | 112.3° | 109.4° |
| C10 | C09 | H20 | 108.8° | 109.5° |
| C10 | C09 | H21 | 108.8° | 109.5° |
| C10 | O12 | H22 | 109.5° | 117.0° |
| C09 | C08 | SG2 | 119.2° | 109.5° |
| C09 | C08 | H18 | 107.0° | 109.5° |
| C09 | C08 | H19 | 107.0° | 109.5° |
| C08 | C09 | H20 | 108.8° | 109.4° |
| C08 | C09 | H21 | 108.7° | 109.5° |
| OE1 | CD1 | N2 | 120.3° | 120.0° |
| OE1 | CD1 | CG1 | 121.8° | 120.0° |
| CB2 | CA2 | N2 | 112.9° | 109.5° |
| CA2 | CB2 | SG2 | 115.1° | 109.4° |
| CB2 | CA2 | H5 | 108.8° | 109.5° |
| CA2 | CB2 | H6 | 108.0° | 109.4° |
| CA2 | CB2 | H7 | 108.0° | 109.5° |
| CA2 | N2 | CD1 | 118.7° | 120.0° |
| N2 | CA2 | H5 | 109.7° | 109.4° |
| CA2 | N2 | H8 | 120.7° | 120.0° |
| CB2 | SG2 | C08 | 108.4° | 103.0° |
| SG2 | CB2 | H6 | 108.1° | 109.4° |
| SG2 | CB2 | H7 | 108.0° | 109.5° |
| N2 | CD1 | CG1 | 117.9° | 120.0° |
| CD1 | N2 | H8 | 120.6° | 120.0° |
| CD1 | CG1 | CB1 | 117.2° | 109.5° |
| CD1 | CG1 | H9 | 107.5° | 109.5° |
| CD1 | CG1 | H10 | 107.5° | 109.5° |
| SG2 | C08 | H18 | 107.0° | 109.4° |
| SG2 | C08 | H19 | 107.0° | 109.4° |
| CG1 | CB1 | CA1 | 114.8° | 109.5° |
| CB1 | CG1 | H9 | 107.5° | 109.4° |
| CB1 | CG1 | H10 | 107.5° | 109.4° |
| CG1 | CB1 | H11 | 108.1° | 109.5° |
| CG1 | CB1 | H12 | 108.1° | 109.4° |
| CB1 | CA1 | N1 | 108.7° | 109.5° |
| CB1 | CA1 | C1 | 109.6° | 109.5° |
| CA1 | CB1 | H11 | 108.1° | 109.5° |
| CA1 | CB1 | H12 | 108.1° | 109.4° |
| CB1 | CA1 | H13 | 110.2° | 109.5° |
| N1 | CA1 | C1 | 106.8° | 109.5° |
| N1 | CA1 | H13 | 111.1° | 109.5° |
| CA1 | N1 | H14 | 109.5° | 111.0° |
| CA1 | N1 | H15 | 109.4° | 111.0° |
| CA1 | C1 | O02 | 118.9° | 120.0° |
| CA1 | C1 | O01 | 120.9° | 120.0° |
| C1 | CA1 | H13 | 110.3° | 109.4° |
| O02 | C1 | O01 | 120.2° | 120.0° |
| C1 | O01 | H17 | 109.5° | 117.0° |
| H2 | CA3 | H3 | 109.5° | 109.5° |
| H6 | CB2 | H7 | 109.5° | 109.6° |
| H9 | CG1 | H10 | 109.5° | 109.4° |
| H11 | CB1 | H12 | 109.5° | 109.5° |
| H14 | N1 | H15 | 109.5° | 111.1° |
| H18 | C08 | H19 | 109.4° | 109.5° |
| H20 | C09 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C3 | O31 | CA3 | 178.9° | 179.8° |
| O32 | C3 | CA3 | N3 | 171.5° | 0.0° |
| O32 | C3 | O31 | H1 | 0.0° | 0.0° |
| O32 | C3 | CA3 | H2 | 67.7° | 120.0° |
| O32 | C3 | CA3 | H3 | 50.6° | 120.0° |
| O31 | C3 | CA3 | N3 | 9.6° | 179.7° |
| O31 | C3 | CA3 | H2 | 111.2° | 60.3° |
| O31 | C3 | CA3 | H3 | 130.5° | 59.8° |
| C3 | CA3 | N3 | H2 | 120.8° | 120.0° |
| C3 | CA3 | N3 | H3 | 120.9° | 120.0° |
| C3 | CA3 | N3 | C2 | 130.1° | 180.0° |
| CA3 | C3 | O31 | H1 | 178.9° | 179.7° |
| C3 | CA3 | H2 | H3 | 117.3° | 120.0° |
| C3 | CA3 | N3 | H4 | 50.0° | 0.0° |
| CA3 | N3 | C2 | H4 | 180.0° | 180.0° |
| CA3 | N3 | C2 | O2 | 0.1° | 0.0° |
| CA3 | N3 | C2 | CA2 | 179.7° | 180.0° |
| N3 | CA3 | H2 | H3 | 117.3° | 120.0° |
| N3 | C2 | O2 | CA2 | 179.7° | 180.0° |
| N3 | C2 | CA2 | CB2 | 95.1° | 60.0° |
| N3 | C2 | CA2 | N2 | 142.3° | 180.0° |
| C2 | N3 | CA3 | H2 | 9.2° | 60.0° |
| C2 | N3 | CA3 | H3 | 109.0° | 60.0° |
| N3 | C2 | CA2 | H5 | 24.4° | 60.0° |
| O2 | C2 | CA2 | CB2 | 85.3° | 120.0° |
| O2 | C2 | CA2 | N2 | 37.3° | 0.0° |
| O2 | C2 | N3 | H4 | 180.0° | 180.0° |
| O2 | C2 | CA2 | H5 | 155.3° | 120.0° |
| C2 | CA2 | CB2 | N2 | 118.5° | 120.0° |
| C2 | CA2 | CB2 | H5 | 119.5° | 120.0° |
| C2 | CA2 | N2 | H5 | 117.4° | 120.0° |
| C2 | CA2 | CB2 | SG2 | 166.0° | 180.0° |
| C2 | CA2 | N2 | CD1 | 98.3° | 85.0° |
| CA2 | C2 | N3 | H4 | 0.3° | 0.0° |
| C2 | CA2 | CB2 | H6 | 73.1° | 60.1° |
| C2 | CA2 | CB2 | H7 | 45.2° | 60.0° |
| C2 | CA2 | N2 | H8 | 81.7° | 95.0° |
| O11 | C10 | C09 | O12 | 177.5° | 180.0° |
| O11 | C10 | C09 | C08 | 81.6° | 0.0° |
| O11 | C10 | C09 | H20 | 158.0° | 120.0° |
| O11 | C10 | C09 | H21 | 38.8° | 119.9° |
| O11 | C10 | O12 | H22 | 0.0° | 0.0° |
| C10 | C09 | C08 | H20 | 120.4° | 119.9° |
| C10 | C09 | C08 | H21 | 120.4° | 120.0° |
| C10 | C09 | C08 | SG2 | 179.2° | 180.0° |
| C10 | C09 | C08 | H18 | 57.8° | 60.1° |
| C10 | C09 | C08 | H19 | 59.4° | 60.0° |
| C10 | C09 | H20 | H21 | 118.8° | 120.1° |
| C09 | C10 | O12 | H22 | 177.5° | 179.9° |
| O12 | C10 | C09 | C08 | 95.9° | 180.0° |
| O12 | C10 | C09 | H20 | 24.5° | 60.1° |
| O12 | C10 | C09 | H21 | 143.7° | 60.0° |
| C09 | C08 | SG2 | CB2 | 73.8° | 180.0° |
| C09 | C08 | SG2 | H18 | 121.4° | 120.0° |
| C09 | C08 | SG2 | H19 | 121.4° | 120.0° |
| C09 | C08 | H18 | H19 | 115.6° | 120.1° |
| C08 | C09 | H20 | H21 | 118.7° | 120.0° |
| OE1 | CD1 | N2 | CA2 | 1.6° | 0.0° |
| OE1 | CD1 | N2 | CG1 | 179.5° | 180.0° |
| OE1 | CD1 | CG1 | CB1 | 3.6° | 0.0° |
| OE1 | CD1 | N2 | H8 | 178.4° | 180.0° |
| OE1 | CD1 | CG1 | H9 | 117.5° | 120.0° |
| OE1 | CD1 | CG1 | H10 | 124.8° | 120.0° |
| CB2 | CA2 | N2 | H5 | 121.6° | 120.0° |
| CA2 | CB2 | SG2 | H6 | 120.8° | 119.9° |
| CA2 | CB2 | SG2 | H7 | 120.8° | 120.0° |
| CB2 | CA2 | N2 | CD1 | 140.7° | 155.0° |
| CA2 | CB2 | SG2 | C08 | 145.3° | 180.0° |
| CA2 | CB2 | H6 | H7 | 117.4° | 120.0° |
| CB2 | CA2 | N2 | H8 | 39.3° | 25.1° |
| N2 | CA2 | CB2 | SG2 | 75.5° | 59.9° |
| CA2 | N2 | CD1 | H8 | 180.0° | 179.9° |
| CA2 | N2 | CD1 | CG1 | 177.9° | 179.9° |
| N2 | CA2 | CB2 | H6 | 45.4° | 60.0° |
| N2 | CA2 | CB2 | H7 | 163.7° | 179.9° |
| SG2 | CB2 | CA2 | H5 | 46.5° | 60.0° |
| SG2 | CB2 | H6 | H7 | 117.4° | 120.0° |
| CB2 | SG2 | C08 | H18 | 47.6° | 60.0° |
| CB2 | SG2 | C08 | H19 | 164.8° | 60.0° |
| N2 | CD1 | CG1 | CB1 | 176.9° | 180.0° |
| CD1 | N2 | CA2 | H5 | 19.1° | 35.0° |
| N2 | CD1 | CG1 | H9 | 62.0° | 60.0° |
| N2 | CD1 | CG1 | H10 | 55.8° | 60.0° |
| CD1 | CG1 | CB1 | H9 | 121.1° | 120.1° |
| CD1 | CG1 | CB1 | H10 | 121.1° | 120.0° |
| CD1 | CG1 | CB1 | CA1 | 157.5° | 180.0° |
| CG1 | CD1 | N2 | H8 | 2.1° | 0.0° |
| CD1 | CG1 | H9 | H10 | 116.5° | 120.1° |
| CD1 | CG1 | CB1 | H11 | 81.8° | 60.0° |
| CD1 | CG1 | CB1 | H12 | 36.7° | 60.1° |
| C08 | SG2 | CB2 | H6 | 93.9° | 60.1° |
| C08 | SG2 | CB2 | H7 | 24.5° | 60.0° |
| SG2 | C08 | H18 | H19 | 115.6° | 120.0° |
| SG2 | C08 | C09 | H20 | 60.4° | 60.1° |
| SG2 | C08 | C09 | H21 | 58.8° | 60.0° |
| CG1 | CB1 | CA1 | H11 | 120.8° | 120.0° |
| CG1 | CB1 | CA1 | H12 | 120.8° | 119.9° |
| CG1 | CB1 | CA1 | N1 | 177.9° | 65.0° |
| CG1 | CB1 | CA1 | C1 | 65.6° | 175.0° |
| CB1 | CG1 | H9 | H10 | 116.5° | 119.9° |
| CG1 | CB1 | H11 | H12 | 117.6° | 120.0° |
| CG1 | CB1 | CA1 | H13 | 56.0° | 55.0° |
| CB1 | CA1 | N1 | C1 | 118.2° | 120.0° |
| CB1 | CA1 | N1 | H13 | 121.4° | 120.0° |
| CB1 | CA1 | C1 | H13 | 121.6° | 120.0° |
| CB1 | CA1 | C1 | O02 | 88.8° | 100.0° |
| CB1 | CA1 | C1 | O01 | 92.2° | 80.0° |
| CA1 | CB1 | CG1 | H9 | 36.3° | 59.9° |
| CA1 | CB1 | CG1 | H10 | 81.4° | 60.0° |
| CA1 | CB1 | H11 | H12 | 117.6° | 120.0° |
| CB1 | CA1 | N1 | H14 | 180.0° | 176.0° |
| CB1 | CA1 | N1 | H15 | 60.0° | 59.9° |
| N1 | CA1 | C1 | H13 | 120.9° | 120.0° |
| N1 | CA1 | C1 | O02 | 153.6° | 20.0° |
| N1 | CA1 | C1 | O01 | 25.3° | 160.0° |
| N1 | CA1 | CB1 | H11 | 61.3° | 175.0° |
| N1 | CA1 | CB1 | H12 | 57.1° | 55.0° |
| CA1 | N1 | H14 | H15 | 120.0° | 124.0° |
| CA1 | C1 | O02 | O01 | 179.0° | 180.0° |
| C1 | CA1 | CB1 | H11 | 55.1° | 55.0° |
| C1 | CA1 | CB1 | H12 | 173.6° | 65.1° |
| C1 | CA1 | N1 | H14 | 61.8° | 64.0° |
| C1 | CA1 | N1 | H15 | 58.2° | 60.1° |
| CA1 | C1 | O01 | H17 | 178.9° | 180.0° |
| O02 | C1 | CA1 | H13 | 32.8° | 140.0° |
| O02 | C1 | O01 | H17 | 0.0° | 0.1° |
| O01 | C1 | CA1 | H13 | 146.2° | 40.0° |
| H2 | CA3 | N3 | H4 | 170.8° | 120.0° |
| H3 | CA3 | N3 | H4 | 70.9° | 119.9° |
| H5 | CA2 | CB2 | H6 | 167.4° | 179.9° |
| H5 | CA2 | CB2 | H7 | 74.3° | 60.0° |
| H5 | CA2 | N2 | H8 | 160.9° | 145.0° |
| H9 | CG1 | CB1 | H11 | 157.1° | 179.9° |
| H9 | CG1 | CB1 | H12 | 84.4° | 60.0° |
| H10 | CG1 | CB1 | H11 | 39.3° | 60.0° |
| H10 | CG1 | CB1 | H12 | 157.8° | 179.9° |
| H11 | CB1 | CA1 | H13 | 176.8° | 65.0° |
| H12 | CB1 | CA1 | H13 | 64.8° | 175.0° |
| H13 | CA1 | N1 | H14 | 58.6° | 56.0° |
| H13 | CA1 | N1 | H15 | 178.6° | 180.0° |
| H18 | C08 | C09 | H20 | 178.2° | 180.0° |
| H18 | C08 | C09 | H21 | 62.6° | 60.0° |
| H19 | C08 | C09 | H20 | 61.0° | 59.9° |
| H19 | C08 | C09 | H21 | 179.8° | 180.0° |
