Table 2.
Structural measurements of cAb CDR H3. Table showing the backbone dihedral angles (φ,ψ) for the CDR H3 C-terminal, and the distance of the CDR H3 loop apex to the closest residue in the heavy chain framework (residue 46). The CDR H3 loop length is denoted by n and represents Chothia numbered residue 102. s and t indicate structures in the stretched-twist and twist sets, respectively. Overall, StretchTw and Twist mean and standard deviations (Std. Dev.) show the respective values for the entire dataset, the stretched-twisted structures and twisted subsets respectively.
| Relative Residue Numbers | Backbone Dihedral Angles (°) | Distance to residue 46 (Å) | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| n+1 | n | n-1 | n-2 | n-3 | n-4 | n-4 | n-5 | |||||||
| Measured Variable | φ | ψ | φ | ψ | φ | ψ | φ | ψ | φ | ψ | φ | ψ | Cα-Cα | Cα-Cα |
| PDB ID | ||||||||||||||
| 1BZQs | -123.2 | 134.8 | -117.0 | 117.0 | -105.4 | -4.4 | -98.8 | 118.1 | -87.1 | -4.6 | -60.1 | -17.8 | 11.1 | 7.7 |
| 2P49s | -135.0 | 137.7 | -121.2 | 130.2 | -111.4 | -9.1 | -96.3 | 132.1 | -83.7 | -9.9 | -62.0 | -20.2 | 10.7 | 7.3 |
| 1KXQs | -125.2 | 143.4 | -156.0 | 140.7 | -118.7 | 2.1 | -81.3 | 133.7 | 86.0 | 7.1 | -106.6 | 172.1 | 11.5 | 8.7 |
| 1OP9s | -133.1 | 135.6 | -120.2 | 134.2 | -118.0 | -16.8 | -81.4 | 133.3 | -87.4 | -8.9 | -59.9 | -21.7 | 11.8 | 8.3 |
| 1I3Vs | -130.1 | 150.0 | -130.3 | 144.5 | -67.8 | -48.3 | -105.6 | 136.0 | -112.4 | 48.3 | -68.1 | -41.2 | 10.6 | 7.3 |
| 1ZVHs | -133.0 | 145.9 | -131.1 | 140.5 | -106.4 | -15.1 | -78.9 | 134.9 | -89.7 | 6.1 | -50.1 | -47.4 | 11.1 | 8.0 |
| 1U0Qs | -131.2 | 146.7 | -135.5 | 149.6 | -95.4 | -37.1 | -88.5 | 146.1 | -84.3 | -5.2 | -64.2 | -21.2 | 11.3 | 7.8 |
| 3DWTs | -132.7 | 150.9 | -96.6 | 133.6 | -114.4 | -32.4 | -106.6 | 154.2 | -73.0 | -25.1 | -51.1 | -29.7 | 11.2 | 7.8 |
| 1QD0s | -128.1 | 144.1 | -119.1 | 136.4 | -83.2 | -30.1 | -82.2 | 96.4 | 81.9 | 6.5 | -89.1 | 159.0 | 12.1 | 8.6 |
| 1MVFs | -135.8 | 142.2 | -131.0 | 136.8 | -122.8 | 0.8 | -116.0 | 149.1 | -84.1 | -6.7 | -59.7 | -14.4 | 11.2 | 7.7 |
| 1RI8s | -125.0 | 167.6 | -129.9 | 118.5 | -110.8 | 1.6 | -120.0 | 123.3 | -94.6 | 14.8 | -68.3 | -14.5 | 10.9 | 7.5 |
| 1ZVYs | -135.4 | 149.2 | -128.9 | 137.8 | -102.0 | -16.2 | -106.1 | 138.0 | -83.1 | -8.8 | -66.6 | -11.9 | 10.5 | 7.0 |
| 1RJCs | -169.9 | 166.2 | -122.8 | 141.3 | -95.4 | -3.8 | -127.8 | 123.1 | -96.0 | 3.0 | -75.4 | 2.4 | 9.6 | 6.5 |
| 1JTOs | -116.5 | 152.2 | -123.0 | 119.8 | -96.3 | -10.8 | -79.1 | 100.7 | 98.3 | -28.8 | -57.1 | 130.0 | 12.5 | 8.9 |
| 1MELs | -115.1 | 155.1 | -103.6 | 123.1 | -84.2 | -32.5 | -80.8 | 89.3 | 98.2 | -26.6 | -67.8 | 129.7 | 12.6 | 9.0 |
| 1XFPs | -136.8 | 144.2 | -116.6 | 137.2 | -90.4 | -16.6 | -79.4 | 101.9 | 98.3 | -33.0 | -57.1 | 131.4 | 11.2 | 7.7 |
| 1ZMYs | -124.1 | 152.4 | -123.8 | 129.4 | -91.3 | -11.6 | -70.0 | 98.2 | 111.2 | -42.8 | -51.7 | 129.7 | 12.7 | 9.1 |
| 1G9Et | -139.2 | 164.0 | -115.0 | 132.4 | -113.6 | 19.0 | -136.7 | 86.2 | -101.8 | 179.6 | 105.5 | -9.5 | 16.1 | 19.0 |
| 1HCVt | -135.4 | 150.8 | -130.3 | 140.5 | -127.7 | -6.6 | -107.0 | 124.9 | -123.2 | 140.3 | 79.4 | 15.3 | 14.7 | 18.2 |
| 1SJXt | -120.3 | 144.9 | -138.8 | 139.1 | -91.5 | -35.1 | -71.2 | 125.0 | -129.9 | 160.9 | 91.8 | -8.3 | 15.5 | 18.6 |
| 1ZV5t | -129.3 | 149.3 | -131.9 | 136.6 | -136.6 | -12.1 | -73.8 | 139.0 | -84.4 | 100.1 | -112.7 | 115.8 | 12.0 | 12.5 |
| 2BSEt | -143.3 | 116.4 | -112.6 | 141.4 | -55.8 | -33.2 | -117.1 | 102.9 | 47.1 | 63.7 | -75.5 | 149.3 | 12.2 | 8.4 |
| 1F2Xt | -143.3 | 137.2 | -96.2 | 139.2 | -52.3 | -57.1 | -77.3 | 149.8 | -97.4 | -1.4 | -74.8 | -8.6 | 7.9 | 8.6 |
| 1IEH | -126.6 | 4.4 | 63.4 | 112.0 | -97.3 | -32.0 | -97.7 | 149.5 | -142.6 | 156.9 | -160.1 | 7.6 | 11.5 | 14.6 |
| 3CFI | -69.8 | 140.7 | 50.4 | 55.8 | -164.3 | 165.9 | -129.2 | 174.2 | -109.0 | 139.7 | -126.0 | 24.7 | 8.5 | 12.2 |
| 1YC7 | -116.7 | 136.8 | -139.8 | 140.9 | -121.1 | 146.3 | -131.1 | 129.1 | -105.3 | 155.0 | -112.5 | 156.3 | 24.2 | 26.4 |
| 3EZJ | -143.2 | 171.0 | -126.7 | 135.8 | -100.6 | 140.4 | -147.1 | 144.4 | -125.8 | 161.2 | -90.5 | -175.5 | 22.2 | 25.5 |
|
| ||||||||||||||
| Overall Mean | -132.2 | 147.0 | -123.1 | 134.8 | -99.6 | -17.6 | -94.9 | 123.3 | -38.7 | 23.0 | -47.9 | 37.8 | 12.5 | 11.1 |
| Overall Std. Dev. | 11.2 | 11.1 | 13.4 | 8.4 | 21.4 | 18.0 | 19.5 | 20.4 | 87.8 | 63.2 | 57.8 | 77.8 | 3.6 | 5.6 |
| StretchTw Mean | -131.2 | 148.1 | -123.9 | 133.6 | -100.8 | -16.5 | -94.1 | 124.0 | -23.6 | -6.8 | -65.6 | 36.1 | 11.3 | 7.9 |
| StretchTw Std. Dev. | 11.9 | 9.2 | 12.9 | 9.4 | 14.8 | 14.8 | 17.1 | 20.0 | 91.3 | 21.4 | 14.2 | 82.0 | 0.8 | 0.7 |
| Twist Mean | -135.1 | 143.8 | -120.8 | 138.2 | -96.2 | -20.8 | -97.2 | 121.3 | -81.6 | 107.2 | 2.3 | 42.3 | 13.1 | 14.2 |
| Twist Std. Dev. | 9.0 | 16.0 | 15.8 | 3.3 | 36.1 | 26.6 | 27.1 | 23.3 | 65.3 | 67.8 | 99.8 | 71.3 | 3.0 | 5.0 |