| 1 | M | 81.7 | Confident | 91.6 | Very high | 194 Ų | 194 | 123.4 Ų | 123.4 | 96% | 0.956 | 62% | 0.62 | S | S | * | * | | | | 0 | -29.9 | 0 | -53.7 | -41.5 | -176.2 | 0 | 0 | 114 | T4 Y5 | M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 WeakPolarHBondContact CA-OG1 3.39Å; M1-T4 PolarHBondContact O-OG1 3.1Å; M1-Y5 PolarHBondContact O-N 2.84Å |
| 2 | L | 91 | Very high | 91.6 | Very high | 135 Ų | 135 | 125.1 Ų | 125.1 | 71% | 0.707 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69 | -45.7 | 179.8 | -172.6 | 62.8 | 0 | 0 | 0 | 113.7 | T4 Y5 I6 | L2-T4 VanDerWaalsContact C-N 3.31Å; L2-T4 PolarHBondContact O-N 3.31Å; L2-Y5 WeakPolarHBondContact O-CB 3.36Å; L2-Y5 PolarHBondContact O-N 3.5Å; L2-Y5 VanDerWaalsContact O-N 3.11Å; L2-I6 HydrophobicContact CG-CD1 4.08Å; L2-I6 WeakPolarHBondContact O-CG1 3.43Å; L2-I6 PolarHBondContact O-N 3.36Å |
| 3 | L | 87.9 | Confident | 91.5 | Very high | 149 Ų | 149 | 122.8 Ų | 122.8 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.6 | -38.6 | 177.9 | -89.4 | 113.5 | 0 | 0 | 0 | 113 | Y5 I6 F7 | L3-Y5 VanDerWaalsContact C-N 3.32Å; L3-I6 PolarHBondContact O-N 3.04Å; L3-F7 WeakPolarHBondContact O-CB 3.41Å; L3-F7 PolarHBondContact O-N 3.12Å |
| 4 | T | 93.3 | Very high | 91.3 | Very high | 79 Ų | 79 | 119.9 Ų | 119.9 | 49% | 0.485 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.3 | -38.8 | 175.6 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | M1 L2 F7 L8 | M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 WeakPolarHBondContact CA-OG1 3.39Å; M1-T4 PolarHBondContact O-OG1 3.1Å; L2-T4 VanDerWaalsContact C-N 3.31Å; L2-T4 PolarHBondContact O-N 3.31Å; T4-F7 PolarHBondContact O-N 3.22Å; T4-L8 WeakPolarHBondContact O-CB 3.34Å; T4-L8 VanDerWaalsContact O-CG 3.26Å; T4-L8 WeakPolarHBondContact O-CG 3.42Å; T4-L8 PolarHBondContact O-N 3.03Å |
| 5 | Y | 93.5 | Very high | 90.8 | Very high | 178 Ų | 178 | 115.4 Ų | 115.4 | 70% | 0.698 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.1 | -44.3 | 174.3 | -116.8 | -87.1 | 0 | 0 | 0 | 112.5 | M1 L2 L3 L8 L9 | M1-Y5 PolarHBondContact O-N 2.84Å; L2-Y5 WeakPolarHBondContact O-CB 3.36Å; L2-Y5 PolarHBondContact O-N 3.5Å; L2-Y5 VanDerWaalsContact O-N 3.11Å; L3-Y5 VanDerWaalsContact C-N 3.32Å; Y5-L8 PolarHBondContact O-N 3.42Å; Y5-L9 WeakPolarHBondContact O-CB 3.16Å; Y5-L9 PolarHBondContact O-N 3.01Å |
| 6 | I | 94.5 | Very high | 90.3 | Very high | 105 Ų | 105 | 111.4 Ų | 111.4 | 54% | 0.538 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65 | -41 | 177.5 | -62.7 | 165.8 | 0 | 0 | 0 | 110.7 | L2 L3 L9 G10 | L2-I6 HydrophobicContact CG-CD1 4.08Å; L2-I6 WeakPolarHBondContact O-CG1 3.43Å; L2-I6 PolarHBondContact O-N 3.36Å; L3-I6 PolarHBondContact O-N 3.04Å; I6-L9 PolarHBondContact O-N 3.21Å; I6-G10 PolarHBondContact O-N 3.39Å |
| 7 | F | 92.2 | Very high | 89.5 | Confident | 146 Ų | 146 | 109.2 Ų | 109.2 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -44.6 | 176.3 | -178.7 | -97.4 | 0 | 0 | 0 | 111.7 | L3 T4 G10 F11 | L3-F7 WeakPolarHBondContact O-CB 3.41Å; L3-F7 PolarHBondContact O-N 3.12Å; T4-F7 PolarHBondContact O-N 3.22Å; F7-G10 PolarHBondContact O-N 3.03Å; F7-F11 WeakPolarHBondContact O-CB 3.31Å; F7-F11 PolarHBondContact O-N 3.12Å |
| 8 | L | 94.7 | Very high | 88.3 | Confident | 108 Ų | 108 | 107.3 Ų | 107.3 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.6 | -41.2 | 176.4 | -71.2 | 170.6 | 0 | 0 | 0 | 112.1 | T4 Y5 F11 F12 | T4-L8 WeakPolarHBondContact O-CB 3.34Å; T4-L8 VanDerWaalsContact O-CG 3.26Å; T4-L8 WeakPolarHBondContact O-CG 3.42Å; T4-L8 PolarHBondContact O-N 3.03Å; Y5-L8 PolarHBondContact O-N 3.42Å; L8-F11 PolarHBondContact O-N 3.19Å; L8-F12 VanDerWaalsContact O-CB 3.25Å; L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 3.46Å |
| 9 | L | 93.4 | Very high | 86.9 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65 | -43.8 | 177 | -173.9 | 63.3 | 0 | 0 | 0 | 111.5 | Y5 I6 F12 I13 | Y5-L9 WeakPolarHBondContact O-CB 3.16Å; Y5-L9 PolarHBondContact O-N 3.01Å; I6-L9 PolarHBondContact O-N 3.21Å; L9-F12 PolarHBondContact O-N 3.13Å; L9-I13 HydrophobicContact CD1-CD1 4.42Å; L9-I13 HydrophobicContact CG-CD1 4.13Å; L9-I13 WeakPolarHBondContact O-CD1 3.25Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.11Å; L9-I13 PolarHBondContact O-N 3.49Å |
| 10 | G | 93.8 | Very high | 85.4 | Confident | 34 Ų | 34 | 111.4 Ų | 111.4 | 35% | 0.351 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I6 F7 F12 I13 S14 | I6-G10 PolarHBondContact O-N 3.39Å; F7-G10 PolarHBondContact O-N 3.03Å; G10-F12 VanDerWaalsContact C-N 3.35Å; G10-F12 PolarHBondContact O-N 2.93Å; G10-I13 PolarHBondContact O-N 2.98Å; G10-S14 WeakPolarHBondContact O-CB 3.38Å; G10-S14 PolarHBondContact O-N 2.89Å; G10-S14 PolarHBondContact O-OG 2.91Å |
| 11 | F | 91.9 | Very high | 83.9 | Confident | 120 Ų | 120 | 111.7 Ų | 111.7 | 53% | 0.526 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -44 | 174.6 | -178.6 | -100.4 | 0 | 0 | 0 | 111.2 | F7 L8 S14 T15 | F7-F11 WeakPolarHBondContact O-CB 3.31Å; F7-F11 PolarHBondContact O-N 3.12Å; L8-F11 PolarHBondContact O-N 3.19Å; F11-S14 CarbonylContact O-C 3.6Å; F11-S14 PolarHBondContact O-N 3.19Å; F11-T15 HydrophobicContact CD1-CG2 4.11Å; F11-T15 HydrophobicContact CD2-CG2 4.48Å; F11-T15 HydrophobicContact CE1-CG2 3.71Å; F11-T15 HydrophobicContact CE2-CG2 4.1Å; F11-T15 HydrophobicContact CG-CG2 4.48Å; F11-T15 HydrophobicContact CZ-CG2 3.7Å; F11-T15 WeakPolarHBondContact O-CG2 3.33Å; F11-T15 PolarHBondContact O-N 3.41Å; F11-T15 PolarHBondContact O-OG1 2.91Å |
| 12 | F | 91.6 | Very high | 82.6 | Confident | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.632 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.4 | -42.4 | 178.5 | -167.7 | -97.5 | 0 | 0 | 0 | 112.5 | L8 L9 G10 T15 A16 | L8-F12 VanDerWaalsContact O-CB 3.25Å; L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 3.46Å; L9-F12 PolarHBondContact O-N 3.13Å; G10-F12 VanDerWaalsContact C-N 3.35Å; G10-F12 PolarHBondContact O-N 2.93Å; F12-T15 WeakPolarHBondContact CA-OG1 3.49Å; F12-T15 PolarHBondContact O-N 2.88Å; F12-T15 PolarHBondContact O-OG1 3.3Å; F12-A16 VanDerWaalsContact O-CB 3.31Å; F12-A16 WeakPolarHBondContact O-CB 3.31Å; F12-A16 PolarHBondContact O-N 3.4Å |
| 13 | I | 90.2 | Very high | 80.7 | Confident | 95 Ų | 95 | 106 Ų | 106 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.7 | -42.8 | 174.7 | -63.8 | 162.5 | 0 | 0 | 0 | 110.1 | L9 G10 T15 A16 V17 | L9-I13 HydrophobicContact CD1-CD1 4.42Å; L9-I13 HydrophobicContact CG-CD1 4.13Å; L9-I13 WeakPolarHBondContact O-CD1 3.25Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.11Å; L9-I13 PolarHBondContact O-N 3.49Å; G10-I13 PolarHBondContact O-N 2.98Å; I13-T15 PolarHBondContact O-N 2.68Å; I13-A16 PolarHBondContact O-N 2.99Å; I13-V17 HydrophobicContact CG2-CG2 4.39Å; I13-V17 WeakPolarHBondContact O-CG2 3.43Å; I13-V17 PolarHBondContact O-N 3.48Å |
| 14 | S | 88.4 | Confident | 79 | Confident | 82 Ų | 82 | 101.7 Ų | 101.7 | 57% | 0.573 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 175.5 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | G10 F11 C18 | G10-S14 WeakPolarHBondContact O-CB 3.38Å; G10-S14 PolarHBondContact O-N 2.89Å; G10-S14 PolarHBondContact O-OG 2.91Å; F11-S14 CarbonylContact O-C 3.6Å; F11-S14 PolarHBondContact O-N 3.19Å; S14-C18 WeakPolarHBondContact O-CB 3.38Å; S14-C18 PolarHBondContact O-N 2.93Å |
| 15 | T | 84.1 | Confident | 76.9 | Confident | 53 Ų | 53 | 102.1 Ų | 102.1 | 33% | 0.325 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.3 | -39.9 | 176.6 | 52.8 | 0 | 0 | 0 | 0 | 112 | F11 F12 I13 C18 E19 | F11-T15 HydrophobicContact CD1-CG2 4.11Å; F11-T15 HydrophobicContact CD2-CG2 4.48Å; F11-T15 HydrophobicContact CE1-CG2 3.71Å; F11-T15 HydrophobicContact CE2-CG2 4.1Å; F11-T15 HydrophobicContact CG-CG2 4.48Å; F11-T15 HydrophobicContact CZ-CG2 3.7Å; F11-T15 WeakPolarHBondContact O-CG2 3.33Å; F11-T15 PolarHBondContact O-N 3.41Å; F11-T15 PolarHBondContact O-OG1 2.91Å; F12-T15 WeakPolarHBondContact CA-OG1 3.49Å; F12-T15 PolarHBondContact O-N 2.88Å; F12-T15 PolarHBondContact O-OG1 3.3Å; I13-T15 PolarHBondContact O-N 2.68Å; T15-C18 PolarHBondContact O-N 3.34Å; T15-E19 WeakPolarHBondContact O-CG 3.42Å; T15-E19 PolarHBondContact O-N 3.32Å |
| 16 | A | 83.3 | Confident | 74.7 | Confident | 52 Ų | 52 | 101 Ų | 101 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F12 I13 E19 E20 | F12-A16 VanDerWaalsContact O-CB 3.31Å; F12-A16 WeakPolarHBondContact O-CB 3.31Å; F12-A16 PolarHBondContact O-N 3.4Å; I13-A16 PolarHBondContact O-N 2.99Å; A16-E19 PolarHBondContact O-N 3.39Å; A16-E20 PolarHBondContact O-N 2.99Å |
| 17 | V | 76.5 | Confident | 72.5 | Confident | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | I13 E19 E20 E21 | I13-V17 HydrophobicContact CG2-CG2 4.39Å; I13-V17 WeakPolarHBondContact O-CG2 3.43Å; I13-V17 PolarHBondContact O-N 3.48Å; V17-E19 PolarHBondContact O-N 2.73Å; V17-E20 PolarHBondContact O-N 3.41Å; V17-E21 WeakPolarHBondContact O-CB 3.44Å; V17-E21 PolarHBondContact O-N 3.01Å |
| 18 | C | 68 | Low | 70.4 | Confident | 75 Ų | 75 | 99.1 Ų | 99.1 | 51% | 0.507 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.9 | -33.8 | 179.1 | -158 | 0 | 0 | 0 | 0 | 112.3 | S14 T15 S22 | S14-C18 WeakPolarHBondContact O-CB 3.38Å; S14-C18 PolarHBondContact O-N 2.93Å; T15-C18 PolarHBondContact O-N 3.34Å; C18-S22 WeakPolarHBondContact O-CB 3.23Å; C18-S22 PolarHBondContact O-N 3.16Å; C18-S22 PolarHBondContact O-OG 2.8Å |
| 19 | E | 60.6 | Low | 68.1 | Low | 147 Ų | 147 | 102.2 Ų | 102.2 | 69% | 0.687 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.2 | -37.9 | 172.6 | -70.1 | -143 | 149.3 | 0 | 0 | 112.3 | T15 A16 V17 S22 Q23 | T15-E19 WeakPolarHBondContact O-CG 3.42Å; T15-E19 PolarHBondContact O-N 3.32Å; A16-E19 PolarHBondContact O-N 3.39Å; V17-E19 PolarHBondContact O-N 2.73Å; E19-S22 PolarHBondContact O-N 3.26Å; E19-Q23 PolarHBondContact O-N 3.39Å |
| 20 | E | 57.4 | Low | 65.6 | Low | 148 Ų | 148 | 105.9 Ų | 105.9 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66 | -42.3 | 175.6 | -162.1 | -178.2 | 164.3 | 0 | 0 | 111.5 | A16 V17 A24 | A16-E20 PolarHBondContact O-N 2.99Å; V17-E20 PolarHBondContact O-N 3.41Å; E20-A24 WeakPolarHBondContact O-CB 3.19Å; E20-A24 PolarHBondContact O-N 2.88Å |
| 21 | E | 54.6 | Low | 63 | Low | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.4 | -32.6 | 176.5 | -151.2 | -176.6 | 136.4 | 0 | 0 | 111.8 | V17 A24 L25 | V17-E21 WeakPolarHBondContact O-CB 3.44Å; V17-E21 PolarHBondContact O-N 3.01Å; E21-A24 PolarHBondContact O-N 3.48Å; E21-L25 HydrophobicContact CG-CD1 4.24Å; E21-L25 VanDerWaalsContact O-CB 3.31Å; E21-L25 WeakPolarHBondContact O-CB 3.26Å; E21-L25 WeakPolarHBondContact O-CG 3.37Å; E21-L25 PolarHBondContact O-N 3.14Å |
| 22 | S | 54.2 | Low | 60.6 | Low | 54 Ų | 54 | 110.7 Ų | 110.7 | 38% | 0.378 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.6 | -34.3 | 176.8 | -64 | 0 | 0 | 0 | 0 | 112.7 | C18 E19 Q26 | C18-S22 WeakPolarHBondContact O-CB 3.23Å; C18-S22 PolarHBondContact O-N 3.16Å; C18-S22 PolarHBondContact O-OG 2.8Å; E19-S22 PolarHBondContact O-N 3.26Å; S22-Q26 WeakPolarHBondContact O-CB 3.44Å; S22-Q26 WeakPolarHBondContact O-CG 3.35Å; S22-Q26 PolarHBondContact O-N 3.25Å |
| 23 | Q | 51.4 | Low | 57.9 | Low | 154 Ų | 154 | 106.6 Ų | 106.6 | 72% | 0.72 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.3 | -37.4 | 169.7 | -84 | -169.6 | 23 | 0 | 0 | 112 | E19 L25 S27 | E19-Q23 PolarHBondContact O-N 3.39Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 2.87Å; Q23-S27 PolarHBondContact O-N 3.49Å; Q23-S27 VanDerWaalsContact O-N 3.13Å |
| 24 | A | 52.2 | Low | 55.3 | Low | 59 Ų | 59 | 110.7 Ų | 110.7 | 49% | 0.488 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.1 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E20 E21 N28 | E20-A24 WeakPolarHBondContact O-CB 3.19Å; E20-A24 PolarHBondContact O-N 2.88Å; E21-A24 PolarHBondContact O-N 3.48Å; A24-N28 WeakPolarHBondContact O-CB 3.39Å; A24-N28 PolarHBondContact O-N 3.42Å |
| 25 | L | 48.6 | Very low | 53 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 46% | 0.461 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -76.8 | -39.1 | 177.2 | -78.4 | 164.5 | 0 | 0 | 0 | 112.8 | E21 Q23 S27 N28 E29 | E21-L25 HydrophobicContact CG-CD1 4.24Å; E21-L25 VanDerWaalsContact O-CB 3.31Å; E21-L25 WeakPolarHBondContact O-CB 3.26Å; E21-L25 WeakPolarHBondContact O-CG 3.37Å; E21-L25 PolarHBondContact O-N 3.14Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 2.87Å; L25-S27 VanDerWaalsContact C-N 3.28Å; L25-S27 PolarHBondContact O-N 2.84Å; L25-N28 PolarHBondContact O-N 3.45Å; L25-N28 VanDerWaalsContact O-N 3.12Å; L25-E29 PolarHBondContact O-N 2.82Å |
| 26 | Q | 47.8 | Very low | 50.6 | Low | 154 Ų | 154 | 115 Ų | 115 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.7 | -25.9 | 175.5 | -73.9 | -175.2 | 19 | 0 | 0 | 113.2 | S22 | S22-Q26 WeakPolarHBondContact O-CB 3.44Å; S22-Q26 WeakPolarHBondContact O-CG 3.35Å; S22-Q26 PolarHBondContact O-N 3.25Å |
| 27 | S | 48.6 | Very low | 48.5 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -11.9 | 172 | -167.4 | 0 | 0 | 0 | 0 | 113.8 | Q23 L25 | Q23-S27 PolarHBondContact O-N 3.49Å; Q23-S27 VanDerWaalsContact O-N 3.13Å; L25-S27 VanDerWaalsContact C-N 3.28Å; L25-S27 PolarHBondContact O-N 2.84Å |
| 28 | N | 47.7 | Very low | 46.6 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 58% | 0.578 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -22.3 | -175.7 | -149.2 | -49.2 | 0 | 0 | 0 | 112.9 | A24 L25 Q30 | A24-N28 WeakPolarHBondContact O-CB 3.39Å; A24-N28 PolarHBondContact O-N 3.42Å; L25-N28 PolarHBondContact O-N 3.45Å; L25-N28 VanDerWaalsContact O-N 3.12Å; N28-Q30 VanDerWaalsContact C-N 3.29Å; N28-Q30 PolarHBondContact O-N 2.88Å |
| 29 | E | 46.3 | Very low | 45.5 | Very low | 173 Ų | 173 | 125 Ų | 125 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 1.3 | 179.8 | -91.6 | -179.2 | 86.2 | 0 | 0 | 115.5 | L25 | L25-E29 PolarHBondContact O-N 2.82Š|
| 30 | Q | 40.2 | Very low | 44.4 | Very low | 187 Ų | 187 | 126.6 Ų | 126.6 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 13.5 | -178.6 | -157.5 | 155.2 | 10.7 | 0 | 0 | 115.1 | N28 | N28-Q30 VanDerWaalsContact C-N 3.29Å; N28-Q30 PolarHBondContact O-N 2.88Å |
| 31 | G | 40 | Very low | 43.6 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | | | trans | -133.1 | -0.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | G33 | G31-G33 PolarHBondContact O-N 2.87Å; G31-G33 VanDerWaalsContact O-N 3.1Å |
| 32 | Q | 41.9 | Very low | 42.9 | Very low | 192 Ų | 192 | 121.8 Ų | 121.8 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | | | trans | -93.1 | 70.5 | -171.5 | -159 | 134.4 | 87.1 | 0 | 0 | 112.8 | | |
| 33 | G | 33.6 | Very low | 42.6 | Very low | 58 Ų | 58 | 127.3 Ų | 127.3 | 60% | 0.598 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -115.2 | 125.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G31 | G31-G33 PolarHBondContact O-N 2.87Å; G31-G33 VanDerWaalsContact O-N 3.1Å |
| 34 | D | 35.8 | Very low | 42.4 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 97% | 0.968 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 59.6 | 111.1 | 169.3 | -77.8 | -77.2 | 0 | 0 | 0 | 118.2 | | |
| 35 | G | 39.8 | Very low | 42.4 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | 162.6 | 77.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T37 | G35-T37 PolarHBondContact O-N 2.8Š|
| 36 | D | 34.9 | Very low | 42.3 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | | | trans | -55.6 | 103.4 | 159.5 | -161 | -98.2 | 0 | 0 | 0 | 108.2 | | |
| 37 | T | 38.5 | Very low | 42.9 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | trans | -141.7 | 100.5 | 169 | -60.2 | 0 | 0 | 0 | 0 | 108.4 | G35 E39 | G35-T37 PolarHBondContact O-N 2.8Å; T37-E39 PolarHBondContact O-N 2.93Å |
| 38 | V | 37.5 | Very low | 43.3 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | trans | -63.7 | 104.3 | 166.6 | 177.9 | 0 | 0 | 0 | 0 | 108 | | |
| 39 | E | 44.2 | Very low | 44 | Very low | 164 Ų | 164 | 127 Ų | 127 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | trans | -128.1 | 97.6 | 161.2 | -94.4 | -78.4 | 133.5 | 0 | 0 | 107.9 | T37 S41 | T37-E39 PolarHBondContact O-N 2.93Å; E39-S41 PolarHBondContact O-N 3.35Å; E39-S41 VanDerWaalsContact O-N 3.12Å |
| 40 | E | 38 | Very low | 45 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | -61.2 | 97 | 166.8 | 177.7 | 171.4 | 128.2 | 0 | 0 | 109.3 | | |
| 41 | S | 40.7 | Very low | 45.8 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | | | trans | -126.3 | 90 | 162.8 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | E39 H43 | E39-S41 PolarHBondContact O-N 3.35Å; E39-S41 VanDerWaalsContact O-N 3.12Å; S41-H43 VanDerWaalsContact C-N 3.31Å; S41-H43 PolarHBondContact O-N 3.23Å |
| 42 | A | 39.1 | Very low | 46.4 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | | | trans | -65.3 | 83.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T44 | A42-T44 PolarHBondContact O-N 2.99Š|
| 43 | H | 47.3 | Very low | 47 | Very low | 170 Ų | 170 | 118 Ų | 118 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | | | trans | -86 | 75.2 | 154.8 | -82.8 | -99.2 | 0 | 0 | 0 | 108.7 | S41 T45 | S41-H43 VanDerWaalsContact C-N 3.31Å; S41-H43 PolarHBondContact O-N 3.23Å; H43-T45 VanDerWaalsContact C-N 3.31Å; H43-T45 PolarHBondContact O-N 3.44Å |
| 44 | T | 48.4 | Very low | 47.8 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | | | trans | -58.6 | 95.8 | 160.1 | 39.9 | 0 | 0 | 0 | 0 | 108 | A42 T46 | A42-T44 PolarHBondContact O-N 2.99Å; T44-T46 PolarHBondContact O-N 3.37Å; T44-T46 PolarHBondContact O-OG1 3.39Å |
| 45 | T | 50.8 | Low | 48.5 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -61.5 | 91.9 | 164.1 | -60.8 | 0 | 0 | 0 | 0 | 107.3 | H43 V47 | H43-T45 VanDerWaalsContact C-N 3.31Å; H43-T45 PolarHBondContact O-N 3.44Å; T45-V47 PolarHBondContact O-N 3.11Å |
| 46 | T | 47.7 | Very low | 48.8 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | -64.9 | 95.9 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 107.2 | T44 A48 | T44-T46 PolarHBondContact O-N 3.37Å; T44-T46 PolarHBondContact O-OG1 3.39Å; T46-A48 PolarHBondContact O-N 2.94Å |
| 47 | V | 59.6 | Low | 49.2 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | | | trans | -67.9 | 91.3 | 164.4 | -178.4 | 0 | 0 | 0 | 0 | 106.3 | T45 T49 | T45-V47 PolarHBondContact O-N 3.11Å; V47-T49 VanDerWaalsContact C-N 3.26Å; V47-T49 PolarHBondContact O-N 3.24Å |
| 48 | A | 58.3 | Low | 49.6 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | | | trans | -61 | 90.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | T46 T50 | T46-A48 PolarHBondContact O-N 2.94Å; A48-T50 VanDerWaalsContact C-N 3.31Å; A48-T50 PolarHBondContact O-N 2.89Å |
| 49 | T | 62.3 | Low | 50 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | | | trans | -76.3 | 88.6 | 170.8 | -59.8 | 0 | 0 | 0 | 0 | 107.3 | V47 T51 | V47-T49 VanDerWaalsContact C-N 3.26Å; V47-T49 PolarHBondContact O-N 3.24Å; T49-T51 VanDerWaalsContact C-N 3.29Å; T49-T51 PolarHBondContact O-N 3.45Å |
| 50 | T | 66.3 | Low | 50.1 | Low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | -66.9 | 92.2 | 169 | -60.6 | 0 | 0 | 0 | 0 | 108.6 | A48 A52 | A48-T50 VanDerWaalsContact C-N 3.31Å; A48-T50 PolarHBondContact O-N 2.89Å; T50-A52 PolarHBondContact O-N 2.88Å |
| 51 | T | 58 | Low | 50.3 | Low | 117 Ų | 117 | 128.2 Ų | 128.2 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | trans | -77 | 104.1 | 167.6 | -53.9 | 0 | 0 | 0 | 0 | 107.1 | T49 A53 | T49-T51 VanDerWaalsContact C-N 3.29Å; T49-T51 PolarHBondContact O-N 3.45Å; T51-A53 PolarHBondContact O-N 3.03Å |
| 52 | A | 51.7 | Low | 50.8 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | | | trans | -63 | 111.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | T50 T54 | T50-A52 PolarHBondContact O-N 2.88Å; A52-T54 PolarHBondContact O-N 2.99Å |
| 53 | A | 54.8 | Low | 51.5 | Low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | -59.6 | 121.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T51 N55 | T51-A53 PolarHBondContact O-N 3.03Å; A53-N55 PolarHBondContact O-N 3.36Å |
| 54 | T | 50.8 | Low | 51.3 | Low | 122 Ų | 122 | 128.5 Ų | 128.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -61.6 | 105.7 | 165.9 | 49 | 0 | 0 | 0 | 0 | 108.3 | A52 T56 | A52-T54 PolarHBondContact O-N 2.99Å; T54-T56 VanDerWaalsContact C-N 3.27Å; T54-T56 PolarHBondContact O-N 3.37Å |
| 55 | N | 50.8 | Low | 51.6 | Low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -73.7 | 84.3 | 174.9 | -161.3 | -14.2 | 0 | 0 | 0 | 109 | A53 R57 | A53-N55 PolarHBondContact O-N 3.36Å; N55-R57 PolarHBondContact O-N 3.2Å |
| 56 | T | 46 | Very low | 51.8 | Low | 128 Ų | 128 | 134.5 Ų | 134.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -78.3 | 66.3 | 168.1 | 43.7 | 0 | 0 | 0 | 0 | 109.3 | T54 A58 | T54-T56 VanDerWaalsContact C-N 3.27Å; T54-T56 PolarHBondContact O-N 3.37Å; T56-A58 PolarHBondContact O-N 2.73Å |
| 57 | R | 43.4 | Very low | 51.9 | Low | 224 Ų | 224 | 134.8 Ų | 134.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -89.2 | 102.9 | 170.1 | -164.6 | 166.8 | -172 | 173.2 | 2.5 | 110.5 | N55 | N55-R57 PolarHBondContact O-N 3.2Š|
| 58 | A | 46.9 | Very low | 51.5 | Low | 81 Ų | 81 | 135.8 Ų | 135.8 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -54.2 | 142.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T56 | T56-A58 PolarHBondContact O-N 2.73Š|
| 59 | K | 45 | Very low | 50.8 | Low | 195 Ų | 195 | 142.1 Ų | 142.1 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | 33.7 | 111.7 | 147.5 | -63.7 | -173.2 | 177.7 | -174.2 | 0 | 117.2 | | |
| 60 | R | 46.2 | Very low | 49.6 | Very low | 257 Ų | 257 | 140.5 Ų | 140.5 | 97% | 0.97 | 81% | 0.805 | S | S | * | * | | | trans | -165 | 134.8 | 132.5 | -102.7 | 164 | -144.4 | -166 | 4.5 | 111 | | |
| 61 | S | 41.5 | Very low | 48.2 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -64.6 | 143.4 | -173.2 | 43.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 62 | A | 53 | Low | 47.7 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -160.2 | 150.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 63 | P | 52.1 | Low | 47.4 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -90.5 | 171.8 | -136 | 23.4 | -12.5 | 0 | 0 | 0 | 116.1 | Q65 | P63-Q65 PolarHBondContact O-N 3.29Š|
| 64 | P | 44.5 | Very low | 47.2 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | | | trans | -78 | 124.2 | -166.8 | 32.2 | -31.6 | 0 | 0 | 0 | 111 | | |
| 65 | Q | 53.7 | Low | 46.8 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | | | trans | -110 | 108.7 | 170.4 | -89.4 | -178.3 | -29.8 | 0 | 0 | 111.7 | P63 | P63-Q65 PolarHBondContact O-N 3.29Š|
| 66 | Q | 55.8 | Low | 46.5 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | trans | 5.5 | 142.7 | 159.8 | -89.2 | 170.4 | -62.6 | 0 | 0 | 121.7 | T68 | Q66-T68 PolarHBondContact O-N 3.07Š|
| 67 | P | 48.7 | Very low | 46.4 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | | | trans | -82.2 | 108.3 | 170.1 | 33.7 | -28.9 | 0 | 0 | 0 | 110.4 | K69 | P67-K69 PolarHBondContact O-N 3.3Š|
| 68 | T | 51.5 | Low | 46.6 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | | | trans | -81.8 | 97 | 167.2 | 48.9 | 0 | 0 | 0 | 0 | 110 | Q66 | Q66-T68 PolarHBondContact O-N 3.07Š|
| 69 | K | 43.7 | Very low | 46.7 | Very low | 211 Ų | 211 | 141 Ų | 141 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | -59.3 | 125.8 | 151.4 | -76.2 | 176.9 | 175 | 176.2 | 0 | 107.8 | P67 | P67-K69 PolarHBondContact O-N 3.3Š|
| 70 | G | 38.3 | Very low | 47 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | | | trans | 163.1 | 91.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 71 | G | 35.4 | Very low | 47.5 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | 24.9 | 119.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 72 | A | 47 | Very low | 48.1 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -151.5 | 92.2 | 135.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T74 | A72-T74 VanDerWaalsContact C-N 3.28Å; A72-T74 PolarHBondContact O-N 3.39Å; A72-T74 VanDerWaalsContact O-N 3.08Å |
| 73 | K | 46.8 | Very low | 48.3 | Very low | 208 Ų | 208 | 130 Ų | 130 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -73 | 85.1 | 161.2 | -79.2 | -179.8 | 177 | 175.2 | 0 | 107.8 | K75 | K73-K75 PolarHBondContact O-N 3.5Š|
| 74 | T | 50.9 | Low | 48.4 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -89.3 | 96.3 | 166.2 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | A72 G76 | A72-T74 VanDerWaalsContact C-N 3.28Å; A72-T74 PolarHBondContact O-N 3.39Å; A72-T74 VanDerWaalsContact O-N 3.08Å; T74-G76 PolarHBondContact O-N 3.43Å; T74-G76 VanDerWaalsContact O-N 3.13Å |
| 75 | K | 42.6 | Very low | 49.1 | Very low | 212 Ų | 212 | 130.5 Ų | 130.5 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | -67 | 99.5 | 162.8 | -71.2 | -178.1 | 177.1 | 179.1 | 0 | 107.4 | K73 | K73-K75 PolarHBondContact O-N 3.5Š|
| 76 | G | 44.3 | Very low | 49.2 | Very low | 54 Ų | 54 | 130 Ų | 130 | 56% | 0.557 | 78% | 0.778 | S | S | * | * | | | trans | -144 | 143.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T74 G78 | T74-G76 PolarHBondContact O-N 3.43Å; T74-G76 VanDerWaalsContact O-N 3.13Å; G76-G78 PolarHBondContact O-N 3.05Å |
| 77 | P | 44.2 | Very low | 49.4 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | | | trans | -77.8 | 91 | -171.8 | 32.6 | -31.6 | 0 | 0 | 0 | 109.2 | | |
| 78 | G | 46.5 | Very low | 49.6 | Very low | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | | | trans | -139.5 | 109.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G76 | G76-G78 PolarHBondContact O-N 3.05Š|
| 79 | L | 50 | Low | 49.8 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | 61.9 | 73.8 | 142.7 | -61 | 149.5 | 0 | 0 | 0 | 117.1 | A81 | L79-A81 PolarHBondContact O-N 3.25Š|
| 80 | K | 50.2 | Low | 50.3 | Low | 223 Ų | 223 | 121.3 Ų | 121.3 | 97% | 0.97 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 58.8 | 158.4 | -67.2 | -177.9 | 179 | 175.8 | 0 | 111.5 | | |
| 81 | A | 57.1 | Low | 51.1 | Low | 68 Ų | 68 | 126.5 Ų | 126.5 | 56% | 0.562 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -16.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L79 G83 | L79-A81 PolarHBondContact O-N 3.25Å; A81-G83 PolarHBondContact O-N 3.38Å |
| 82 | A | 54.5 | Low | 52 | Low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -71 | -12.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 83 | G | 56.2 | Low | 52.2 | Low | 54 Ų | 54 | 132.9 Ų | 132.9 | 56% | 0.557 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -82.6 | -23.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A81 | A81-G83 PolarHBondContact O-N 3.38Å |
| 84 | F | 55.2 | Low | 52.5 | Low | 178 Ų | 178 | 132.5 Ų | 132.5 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -85.1 | -30.1 | -173.7 | -90.1 | -88.7 | 0 | 0 | 0 | 113.6 | K86 K87 | F84-K86 VanDerWaalsContact C-N 3.31Å; F84-K86 PolarHBondContact O-N 3.43Å; F84-K87 PolarHBondContact O-N 3.49Å |
| 85 | A | 57.8 | Low | 52.2 | Low | 75 Ų | 75 | 129.1 Ų | 129.1 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -65.7 | -32.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K87 | A85-K87 VanDerWaalsContact C-N 3.33Å; A85-K87 PolarHBondContact O-N 3.47Å |
| 86 | K | 56.5 | Low | 52.3 | Low | 183 Ų | 183 | 121.4 Ų | 121.4 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -72.6 | -23.5 | -177.6 | -150.9 | 168.6 | -174 | 171 | 0 | 113.3 | F84 | F84-K86 VanDerWaalsContact C-N 3.31Å; F84-K86 PolarHBondContact O-N 3.43Å |
| 87 | K | 59.2 | Low | 52.7 | Low | 166 Ų | 166 | 124.1 Ų | 124.1 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -86.7 | -24 | 179.2 | -75 | -172.6 | 176.8 | -177.6 | 0 | 113.9 | F84 A85 | F84-K87 PolarHBondContact O-N 3.49Å; A85-K87 VanDerWaalsContact C-N 3.33Å; A85-K87 PolarHBondContact O-N 3.47Å |
| 88 | L | 54.4 | Low | 53.1 | Low | 134 Ų | 134 | 124.6 Ų | 124.6 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -78 | -37.8 | -179.7 | -149.5 | 80.7 | 0 | 0 | 0 | 112.2 | A90 K91 | L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 2.89Å; L88-K91 PolarHBondContact O-N 3.06Å |
| 89 | A | 55.8 | Low | 53.2 | Low | 79 Ų | 79 | 125.2 Ų | 125.2 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -26 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 90 | A | 54.5 | Low | 53.3 | Low | 81 Ų | 81 | 123.7 Ų | 123.7 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -24.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L88 | L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 2.89Å |
| 91 | K | 53.7 | Low | 53.4 | Low | 186 Ų | 186 | 121.3 Ų | 121.3 | 81% | 0.809 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -19.8 | -173.8 | -95.3 | -178.4 | 172.6 | -177.2 | 0 | 114.9 | L88 K93 | L88-K91 PolarHBondContact O-N 3.06Å; K91-K93 VanDerWaalsContact C-N 3.35Å |
| 92 | V | 55 | Low | 53.2 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -79.6 | -17.3 | -176.8 | -173.8 | 0 | 0 | 0 | 0 | 112.7 | K94 | V92-K94 VanDerWaalsContact C-N 3.34Å; V92-K94 PolarHBondContact O-N 2.85Å |
| 93 | K | 50.8 | Low | 53.2 | Low | 193 Ų | 193 | 126.4 Ų | 126.4 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -74.7 | -11 | -171.8 | -158.8 | 170.7 | -178.4 | 179.9 | 0 | 115.6 | K91 | K91-K93 VanDerWaalsContact C-N 3.35Š|
| 94 | K | 53.2 | Low | 53 | Low | 200 Ų | 200 | 132.3 Ų | 132.3 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -115.9 | -8 | -176.9 | -88.9 | -173.5 | 174.6 | -179 | 0 | 116.4 | V92 | V92-K94 VanDerWaalsContact C-N 3.34Å; V92-K94 PolarHBondContact O-N 2.85Å |
| 95 | G | 44.5 | Very low | 52.8 | Low | 55 Ų | 55 | 126.9 Ų | 126.9 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -25.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | T97 | G95-T97 PolarHBondContact O-N 3.21Š|
| 96 | G | 44.3 | Very low | 52.5 | Low | 50 Ų | 50 | 126.1 Ų | 126.1 | 52% | 0.515 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -76.5 | -20.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 97 | T | 52.8 | Low | 52.3 | Low | 111 Ų | 111 | 120.5 Ų | 120.5 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -88.2 | -13.9 | -170.6 | 35.9 | 0 | 0 | 0 | 0 | 114.9 | G95 | G95-T97 PolarHBondContact O-N 3.21Å |
| 98 | Q | 52.4 | Low | 52 | Low | 156 Ų | 156 | 120.6 Ų | 120.6 | 73% | 0.729 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86.9 | -28.7 | 175.9 | -68.7 | -152 | 32.8 | 0 | 0 | 113.5 | L100 K101 | Q98-L100 PolarHBondContact O-N 3.38Å; Q98-K101 PolarHBondContact O-N 3.25Å |
| 99 | A | 50.2 | Low | 52 | Low | 72 Ų | 72 | 118.9 Ų | 118.9 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.2 | -31.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K101 T103 | A99-K101 VanDerWaalsContact C-N 3.35Å; A99-K101 PolarHBondContact O-N 3.28Å; A99-T103 PolarHBondContact O-OG1 3.27Å |
| 100 | L | 52 | Low | 51.9 | Low | 131 Ų | 131 | 119.9 Ų | 119.9 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -76 | -16.8 | 178.6 | -75.3 | 162.6 | 0 | 0 | 0 | 114.2 | Q98 T103 | Q98-L100 PolarHBondContact O-N 3.38Å; L100-T103 PolarHBondContact O-OG1 3.41Å |
| 101 | K | 52.3 | Low | 51.8 | Low | 173 Ų | 173 | 119.6 Ų | 119.6 | 75% | 0.752 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79 | -29.5 | 177.6 | -86.3 | -178.1 | 173 | 176.6 | 0 | 112.9 | Q98 A99 | Q98-K101 PolarHBondContact O-N 3.25Å; A99-K101 VanDerWaalsContact C-N 3.35Å; A99-K101 PolarHBondContact O-N 3.28Å |
| 102 | K | 52.3 | Low | 51.8 | Low | 174 Ų | 174 | 119.2 Ų | 119.2 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78.4 | -26.6 | -179 | -65.8 | -167.8 | 177.3 | -173.7 | 0 | 113.2 | | |
| 103 | T | 53.6 | Low | 51.8 | Low | 91 Ų | 91 | 122.2 Ų | 122.2 | 56% | 0.558 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.3 | -28.6 | 177.6 | 21.6 | 0 | 0 | 0 | 0 | 113.8 | A99 L100 A105 A106 | A99-T103 PolarHBondContact O-OG1 3.27Å; L100-T103 PolarHBondContact O-OG1 3.41Å; T103-A105 VanDerWaalsContact C-N 3.32Å; T103-A105 PolarHBondContact O-N 3.44Å; T103-A106 PolarHBondContact O-N 2.99Å |
| 104 | K | 53 | Low | 51.9 | Low | 178 Ų | 178 | 118 Ų | 118 | 77% | 0.774 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.5 | -24.2 | 178 | -131.9 | 178.7 | -172.3 | -176.3 | 0 | 113.6 | | |
| 105 | A | 51.2 | Low | 52 | Low | 65 Ų | 65 | 112 Ų | 112 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -80 | -34.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T103 | T103-A105 VanDerWaalsContact C-N 3.32Å; T103-A105 PolarHBondContact O-N 3.44Å |
| 106 | A | 50.5 | Low | 52.4 | Low | 58 Ų | 58 | 118.3 Ų | 118.3 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.8 | -37.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T103 K108 T109 | T103-A106 PolarHBondContact O-N 2.99Å; A106-K108 VanDerWaalsContact C-N 3.31Å; A106-K108 PolarHBondContact O-N 3.39Å; A106-T109 PolarHBondContact O-N 3.4Å |
| 107 | A | 52.3 | Low | 52.9 | Low | 66 Ų | 66 | 125.3 Ų | 125.3 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -65.6 | -26.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S111 | A107-S111 PolarHBondContact O-OG 3.08Å |
| 108 | K | 54.3 | Low | 52.9 | Low | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.2 | -19.8 | 176.7 | -79.4 | -170.9 | 173.2 | -176.1 | 0 | 113.8 | A106 S111 | A106-K108 VanDerWaalsContact C-N 3.31Å; A106-K108 PolarHBondContact O-N 3.39Å; K108-S111 PolarHBondContact O-OG 3.47Å |
| 109 | T | 53.4 | Low | 52.6 | Low | 98 Ų | 98 | 134.1 Ų | 134.1 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -83.5 | -33.9 | -178.9 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | A106 | A106-T109 PolarHBondContact O-N 3.4Å |
| 110 | V | 53.4 | Low | 52.7 | Low | 99 Ų | 99 | 137.3 Ų | 137.3 | 60% | 0.6 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.4 | -32.6 | -178 | -162.2 | 0 | 0 | 0 | 0 | 111.9 | K112 K113 | V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 3.13Å; V110-K113 PolarHBondContact O-N 3.42Å |
| 111 | S | 52.1 | Low | 52.8 | Low | 76 Ų | 76 | 137.6 Ų | 137.6 | 53% | 0.531 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -68 | -24.4 | 178.9 | 24.3 | 0 | 0 | 0 | 0 | 113.8 | A107 K108 | A107-S111 PolarHBondContact O-OG 3.08Å; K108-S111 PolarHBondContact O-OG 3.47Å |
| 112 | K | 54.1 | Low | 52.8 | Low | 177 Ų | 177 | 135.6 Ų | 135.6 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.6 | -20.4 | 174.3 | -87.4 | -174.8 | 175.7 | -179.1 | 0 | 114.3 | V110 | V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 3.13Å |
| 113 | K | 54.4 | Low | 52.8 | Low | 176 Ų | 176 | 133.4 Ų | 133.4 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -83.2 | -29.1 | 178.7 | -84.1 | -169.4 | 174 | -172 | 0 | 113.3 | V110 | V110-K113 PolarHBondContact O-N 3.42Å |
| 114 | V | 54.3 | Low | 52.8 | Low | 104 Ų | 104 | 136 Ų | 136 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -75.5 | -31.4 | -178.7 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | K116 K117 | V114-K116 VanDerWaalsContact C-N 3.26Å; V114-K116 PolarHBondContact O-N 3.39Å; V114-K117 PolarHBondContact O-N 3.21Å |
| 115 | A | 53.8 | Low | 52.8 | Low | 75 Ų | 75 | 133.2 Ų | 133.2 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -10.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 116 | K | 54.1 | Low | 52.9 | Low | 186 Ų | 186 | 138.1 Ų | 138.1 | 81% | 0.809 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -3.5 | 177.4 | -104.6 | -172.3 | 176.6 | -174.3 | 0 | 114.4 | V114 | V114-K116 VanDerWaalsContact C-N 3.26Å; V114-K116 PolarHBondContact O-N 3.39Å |
| 117 | K | 54.3 | Low | 53.1 | Low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -101.9 | -0.7 | 176.6 | -98.6 | -163 | 174.6 | -169.3 | 0 | 114.1 | V114 | V114-K117 PolarHBondContact O-N 3.21Š|
| 118 | K | 53.8 | Low | 53.1 | Low | 195 Ų | 195 | 150.8 Ų | 150.8 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | | | trans | -116.9 | 17.3 | -178.2 | -82.2 | -154.5 | 173.5 | -166.4 | 0 | 114.4 | | |
| 119 | K | 45.6 | Very low | 53 | Low | 258 Ų | 258 | 149.2 Ų | 149.2 | 100% | 1.122 | 74% | 0.741 | S | S | * | * | | | trans | -131 | 0 | 167.1 | -96 | -169.8 | 173.4 | -170 | 0 | 107.7 | | |