| 1 | M | 61.2 | Low | 85.7 | Confident | 196 Ų | 196 | 119 Ų | 119 | 97% | 0.966 | 61% | 0.613 | S | S | * | * | | | | 0 | -37.3 | 0 | -61.9 | -48.1 | -169.1 | 0 | 0 | 114.5 | K3 L4 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3Å; M1-K3 VanDerWaalsContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 2.84Å |
| 2 | A | 74.5 | Confident | 86.6 | Confident | 58 Ų | 58 | 115.8 Ų | 115.8 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -55.6 | -35.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | L4 H5 Y6 | A2-L4 VanDerWaalsContact C-N 3.25Å; A2-L4 PolarHBondContact O-N 2.72Å; A2-H5 PolarHBondContact O-N 3.11Å; A2-H5 VanDerWaalsContact O-N 3.13Å; A2-Y6 HydrophobicContact CB-CE2 4.27Å; A2-Y6 WeakPolarHBondContact O-CD2 3.12Å; A2-Y6 PolarHBondContact O-N 3.37Å |
| 3 | K | 75.5 | Confident | 87.2 | Confident | 192 Ų | 192 | 115.8 Ų | 115.8 | 84% | 0.835 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.6 | -34.3 | -179.2 | -65.1 | -177.8 | 180 | 178.3 | 0 | 112.9 | M1 A7 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-A7 PolarHBondContact O-N 3.13Å |
| 4 | L | 88 | Confident | 87.8 | Confident | 125 Ų | 125 | 114.6 Ų | 114.6 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.8 | -36.1 | 178.2 | -171.7 | 68.1 | 0 | 0 | 0 | 111.4 | M1 A2 A7 F8 | M1-L4 PolarHBondContact O-N 2.84Å; A2-L4 VanDerWaalsContact C-N 3.25Å; A2-L4 PolarHBondContact O-N 2.72Å; L4-A7 PolarHBondContact O-N 2.72Å; L4-F8 VanDerWaalsContact O-CB 3.31Å; L4-F8 WeakPolarHBondContact O-CB 3.49Å; L4-F8 PolarHBondContact O-N 3.34Å |
| 5 | H | 89.5 | Confident | 88.2 | Confident | 113 Ų | 113 | 112.9 Ų | 112.9 | 52% | 0.523 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.9 | -42.9 | 179.4 | -62.2 | -32.5 | 0 | 0 | 0 | 112.1 | A2 F8 L9 | A2-H5 PolarHBondContact O-N 3.11Å; A2-H5 VanDerWaalsContact O-N 3.13Å; H5-F8 PolarHBondContact O-N 2.85Å; H5-L9 WeakPolarHBondContact O-CB 3.2Å; H5-L9 VanDerWaalsContact O-CG 3.3Å; H5-L9 WeakPolarHBondContact O-CG 3.49Å; H5-L9 PolarHBondContact O-N 3.12Å |
| 6 | Y | 89.1 | Confident | 88.5 | Confident | 175 Ų | 175 | 108.9 Ų | 108.9 | 69% | 0.686 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.1 | -41.1 | 176.8 | -67.2 | -66.9 | 0 | 0 | 0 | 112.4 | A2 F8 L9 A10 | A2-Y6 HydrophobicContact CB-CE2 4.27Å; A2-Y6 WeakPolarHBondContact O-CD2 3.12Å; A2-Y6 PolarHBondContact O-N 3.37Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-L9 PolarHBondContact O-N 3Å; Y6-A10 WeakPolarHBondContact O-CB 3.35Å; Y6-A10 PolarHBondContact O-N 3.03Å |
| 7 | A | 90.3 | Very high | 88.7 | Confident | 61 Ų | 61 | 109.2 Ų | 109.2 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K3 L4 A10 L11 | K3-A7 PolarHBondContact O-N 3.13Å; L4-A7 PolarHBondContact O-N 2.72Å; A7-A10 PolarHBondContact O-N 3.37Å; A7-L11 WeakPolarHBondContact O-CB 3.42Å; A7-L11 PolarHBondContact O-N 3.46Å |
| 8 | F | 93.3 | Very high | 88.9 | Confident | 120 Ų | 120 | 112.2 Ų | 112.2 | 53% | 0.526 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.5 | -45.6 | 177.4 | -175.4 | -106.2 | 0 | 0 | 0 | 112.2 | L4 H5 Y6 A10 L11 L12 | L4-F8 VanDerWaalsContact O-CB 3.31Å; L4-F8 WeakPolarHBondContact O-CB 3.49Å; L4-F8 PolarHBondContact O-N 3.34Å; H5-F8 PolarHBondContact O-N 2.85Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 2.86Å; F8-L11 PolarHBondContact O-N 3.35Å; F8-L12 HydrophobicContact CD1-CD1 3.93Å; F8-L12 HydrophobicContact CD1-CG 4.47Å; F8-L12 HydrophobicContact CE1-CD1 3.5Å; F8-L12 HydrophobicContact CE1-CG 4.18Å; F8-L12 HydrophobicContact CZ-CD1 4.01Å; F8-L12 HydrophobicContact CZ-CD2 4.41Å; F8-L12 HydrophobicContact CZ-CG 4.31Å; F8-L12 WeakPolarHBondContact O-CG 3.47Å; F8-L12 PolarHBondContact O-N 3.06Å |
| 9 | L | 92.8 | Very high | 88.8 | Confident | 104 Ų | 104 | 110.7 Ų | 110.7 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -40.3 | 175.8 | -69.7 | 173.3 | 0 | 0 | 0 | 112 | H5 Y6 L11 L12 L13 | H5-L9 WeakPolarHBondContact O-CB 3.2Å; H5-L9 VanDerWaalsContact O-CG 3.3Å; H5-L9 WeakPolarHBondContact O-CG 3.49Å; H5-L9 PolarHBondContact O-N 3.12Å; Y6-L9 PolarHBondContact O-N 3Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L12 PolarHBondContact O-N 2.83Å; L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 PolarHBondContact O-N 3.44Å |
| 10 | A | 94.3 | Very high | 88.8 | Confident | 52 Ų | 52 | 109.5 Ų | 109.5 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.6 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y6 A7 F8 L13 V14 | Y6-A10 WeakPolarHBondContact O-CB 3.35Å; Y6-A10 PolarHBondContact O-N 3.03Å; A7-A10 PolarHBondContact O-N 3.37Å; F8-A10 PolarHBondContact O-N 2.86Å; A10-L13 PolarHBondContact O-N 3Å; A10-V14 WeakPolarHBondContact O-CG2 3.48Å; A10-V14 PolarHBondContact O-N 3.31Å |
| 11 | L | 94.8 | Very high | 88.4 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | 176.1 | -170.9 | 112.8 | 0 | 0 | 0 | 111.6 | A7 F8 L9 L13 V14 L15 | A7-L11 WeakPolarHBondContact O-CB 3.42Å; A7-L11 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 3.35Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.29Å; L11-V14 PolarHBondContact O-N 2.79Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 PolarHBondContact O-N 3.06Å |
| 12 | L | 95.7 | Very high | 88.9 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.6 | -71.5 | 178.2 | 0 | 0 | 0 | 112 | F8 L9 L15 A16 | F8-L12 HydrophobicContact CD1-CD1 3.93Å; F8-L12 HydrophobicContact CD1-CG 4.47Å; F8-L12 HydrophobicContact CE1-CD1 3.5Å; F8-L12 HydrophobicContact CE1-CG 4.18Å; F8-L12 HydrophobicContact CZ-CD1 4.01Å; F8-L12 HydrophobicContact CZ-CD2 4.41Å; F8-L12 HydrophobicContact CZ-CG 4.31Å; F8-L12 WeakPolarHBondContact O-CG 3.47Å; F8-L12 PolarHBondContact O-N 3.06Å; L9-L12 PolarHBondContact O-N 2.83Å; L12-L15 PolarHBondContact O-N 3.41Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 3.39Å |
| 13 | L | 95.2 | Very high | 88.6 | Confident | 117 Ų | 117 | 104.9 Ų | 104.9 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.4 | -45.5 | 179.6 | -169.4 | 71.4 | 0 | 0 | 0 | 111.8 | L9 A10 L11 L15 A16 L17 | L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 PolarHBondContact O-N 3.44Å; A10-L13 PolarHBondContact O-N 3Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.29Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 3.03Å; L13-L17 HydrophobicContact CG-CD1 4.38Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.12Å |
| 14 | V | 95 | Very high | 87.7 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | A10 L11 L17 Y18 | A10-V14 WeakPolarHBondContact O-CG2 3.48Å; A10-V14 PolarHBondContact O-N 3.31Å; L11-V14 PolarHBondContact O-N 2.79Å; V14-L17 PolarHBondContact O-N 3.41Å; V14-Y18 WeakPolarHBondContact O-CB 3.27Å; V14-Y18 PolarHBondContact O-N 3.45Å |
| 15 | L | 93.5 | Very high | 86.3 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 178.5 | -174.3 | 63 | 0 | 0 | 0 | 111.9 | L11 L12 L13 Y18 L19 | L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 3.41Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-Y18 PolarHBondContact O-N 3.3Å; L15-L19 HydrophobicContact CG-CD1 4.37Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.17Å |
| 16 | A | 93.8 | Very high | 84.8 | Confident | 48 Ų | 48 | 97.4 Ų | 97.4 | 40% | 0.397 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L12 L13 Y18 L19 C20 | L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 3.39Å; L13-A16 PolarHBondContact O-N 3.03Å; A16-Y18 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 2.99Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.12Å; A16-C20 PolarHBondContact O-SG 3.31Å |
| 17 | L | 91.9 | Very high | 83.1 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 175.9 | -75.7 | 167 | 0 | 0 | 0 | 111.9 | L13 V14 C20 D21 | L13-L17 HydrophobicContact CG-CD1 4.38Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.12Å; V14-L17 PolarHBondContact O-N 3.41Å; L17-C20 PolarHBondContact O-N 2.98Å; L17-D21 WeakPolarHBondContact O-CB 3.4Å; L17-D21 PolarHBondContact O-N 3.38Å |
| 18 | Y | 91.4 | Very high | 81.4 | Confident | 163 Ų | 163 | 99 Ų | 99 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.3 | -42.9 | 177.6 | -178.5 | -100.8 | 0 | 0 | 0 | 112.4 | V14 L15 A16 D21 A22 | V14-Y18 WeakPolarHBondContact O-CB 3.27Å; V14-Y18 PolarHBondContact O-N 3.45Å; L15-Y18 PolarHBondContact O-N 3.3Å; A16-Y18 PolarHBondContact O-N 3.44Å; Y18-D21 PolarHBondContact O-N 2.88Å; Y18-A22 WeakPolarHBondContact O-CB 3.46Å; Y18-A22 PolarHBondContact O-N 3.23Å |
| 19 | L | 88.2 | Confident | 79.6 | Confident | 85 Ų | 85 | 101.9 Ų | 101.9 | 45% | 0.445 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -45.6 | 175.7 | -70.3 | 170.8 | 0 | 0 | 0 | 111.3 | L15 A16 D21 A22 H23 | L15-L19 HydrophobicContact CG-CD1 4.37Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.17Å; A16-L19 PolarHBondContact O-N 2.99Å; L19-D21 VanDerWaalsContact C-N 3.3Å; L19-D21 PolarHBondContact O-N 3.37Å; L19-A22 PolarHBondContact O-N 3Å; L19-H23 PolarHBondContact O-CD2 2.94Å; L19-H23 PolarHBondContact O-N 3.3Å |
| 20 | C | 87.9 | Confident | 77.8 | Confident | 86 Ų | 86 | 100.6 Ų | 100.6 | 58% | 0.581 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.3 | -42.7 | 176.4 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | A16 L17 H23 S24 | A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.12Å; A16-C20 PolarHBondContact O-SG 3.31Å; L17-C20 PolarHBondContact O-N 2.98Å; C20-H23 PolarHBondContact O-N 3.02Å; C20-S24 PolarHBondContact O-N 3.41Å |
| 21 | D | 80.1 | Confident | 76 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.7 | -43.9 | 178.8 | -168 | 46.5 | 0 | 0 | 0 | 112 | L17 Y18 L19 H23 S24 V25 | L17-D21 WeakPolarHBondContact O-CB 3.4Å; L17-D21 PolarHBondContact O-N 3.38Å; Y18-D21 PolarHBondContact O-N 2.88Å; L19-D21 VanDerWaalsContact C-N 3.3Å; L19-D21 PolarHBondContact O-N 3.37Å; D21-H23 VanDerWaalsContact C-N 3.27Å; D21-H23 PolarHBondContact O-N 3.15Å; D21-S24 WeakPolarHBondContact O-CB 3.37Å; D21-S24 PolarHBondContact O-N 2.95Å; D21-S24 VanDerWaalsContact O-N 3.12Å; D21-V25 PolarHBondContact O-N 3.04Å |
| 22 | A | 73.6 | Confident | 74 | Confident | 47 Ų | 47 | 108.4 Ų | 108.4 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.9 | -35 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y18 L19 S26 | Y18-A22 WeakPolarHBondContact O-CB 3.46Å; Y18-A22 PolarHBondContact O-N 3.23Å; L19-A22 PolarHBondContact O-N 3Å; A22-S26 PolarHBondContact O-OG 3.37Å |
| 23 | H | 66.2 | Low | 72.3 | Confident | 114 Ų | 114 | 109.8 Ų | 109.8 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75.2 | -31.2 | 175.2 | -75 | -64.6 | 0 | 0 | 0 | 113.1 | L19 C20 D21 S26 | L19-H23 PolarHBondContact O-CD2 2.94Å; L19-H23 PolarHBondContact O-N 3.3Å; C20-H23 PolarHBondContact O-N 3.02Å; D21-H23 VanDerWaalsContact C-N 3.27Å; D21-H23 PolarHBondContact O-N 3.15Å; H23-S26 PolarHBondContact O-N 3.26Å |
| 24 | S | 58.4 | Low | 70.9 | Confident | 86 Ų | 86 | 110.7 Ų | 110.7 | 60% | 0.601 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.3 | -40.5 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 112 | C20 D21 S26 | C20-S24 PolarHBondContact O-N 3.41Å; D21-S24 WeakPolarHBondContact O-CB 3.37Å; D21-S24 PolarHBondContact O-N 2.95Å; D21-S24 VanDerWaalsContact O-N 3.12Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.36Å |
| 25 | V | 57.7 | Low | 69.4 | Low | 104 Ų | 104 | 110.4 Ų | 110.4 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.7 | -28.3 | -179.5 | 175 | 0 | 0 | 0 | 0 | 112.4 | D21 | D21-V25 PolarHBondContact O-N 3.04Å |
| 26 | S | 57.4 | Low | 68.1 | Low | 83 Ų | 83 | 111.8 Ų | 111.8 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.8 | -15.1 | -169.9 | -73.4 | 0 | 0 | 0 | 0 | 115.6 | A22 H23 S24 S28 | A22-S26 PolarHBondContact O-OG 3.37Å; H23-S26 PolarHBondContact O-N 3.26Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.36Å; S26-S28 PolarHBondContact O-N 3Å |
| 27 | H | 53.8 | Low | 66.8 | Low | 158 Ų | 158 | 119 Ų | 119 | 73% | 0.731 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -0.3 | -171.7 | -86.5 | -62.1 | 0 | 0 | 0 | 116.3 | | |
| 28 | S | 54.4 | Low | 65 | Low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -4.3 | -175.9 | -55.4 | 0 | 0 | 0 | 0 | 115 | S26 | S26-S28 PolarHBondContact O-N 3Š|
| 29 | Q | 55.3 | Low | 63.2 | Low | 180 Ų | 180 | 122.1 Ų | 122.1 | 84% | 0.841 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -108.6 | -13.1 | -174.6 | -72.2 | -102.1 | -12.2 | 0 | 0 | 114.1 | | |
| 30 | G | 56.4 | Low | 61.4 | Low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -94.1 | -1.3 | -162.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 31 | S | 54.7 | Low | 60 | Low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | -136.7 | 8.1 | -172.3 | 54.3 | 0 | 0 | 0 | 0 | 115 | P33 | S31-P33 WeakPolarHBondContact O-CD 3.48Š|
| 32 | R | 53.6 | Low | 58.7 | Low | 222 Ų | 222 | 127 Ų | 127 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -70 | 116.7 | 167.5 | -169 | 173.9 | -174.4 | 172.7 | 1.5 | 106.9 | E34 | R32-E34 PolarHBondContact O-N 3.45Š|
| 33 | P | 59.6 | Low | 57.4 | Low | 110 Ų | 110 | 127.5 Ų | 127.5 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 120.9 | 170.3 | -16.6 | 29.6 | 0 | 0 | 0 | 106.6 | S31 P35 | S31-P33 WeakPolarHBondContact O-CD 3.48Å; P33-P35 VanDerWaalsContact O-CD 3.29Å; P33-P35 WeakPolarHBondContact O-CD 3.3Å |
| 34 | E | 67.1 | Low | 56.9 | Low | 135 Ų | 135 | 130.7 Ų | 130.7 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 117.6 | 168.4 | -170.9 | -179.1 | 150.5 | 0 | 0 | 105.9 | R32 R37 | R32-E34 PolarHBondContact O-N 3.45Å; E34-R37 IonicContact OE1-CZ 3.95Å; E34-R37 IonicContact OE1-NE 3.29Å; E34-R37 PolarHBondContact OE1-NE 3.49Å |
| 35 | P | 63.6 | Low | 56.4 | Low | 92 Ų | 92 | 135.5 Ų | 135.5 | 60% | 0.597 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 132.4 | 174.8 | 22.9 | -29.3 | 0 | 0 | 0 | 106.8 | P33 R37 | P33-P35 VanDerWaalsContact O-CD 3.29Å; P33-P35 WeakPolarHBondContact O-CD 3.3Å; P35-R37 PolarHBondContact O-N 3.37Å |
| 36 | P | 65.3 | Low | 56.1 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 119.2 | -175.9 | 19.9 | -31.5 | 0 | 0 | 0 | 108.9 | N38 | P36-N38 PolarHBondContact O-N 2.93Š|
| 37 | R | 65.3 | Low | 56.3 | Low | 200 Ų | 200 | 136 Ų | 136 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 118.4 | 169.7 | -76.5 | -180 | 178.6 | -177.6 | -5.3 | 106.8 | E34 P35 H39 | E34-R37 IonicContact OE1-CZ 3.95Å; E34-R37 IonicContact OE1-NE 3.29Å; E34-R37 PolarHBondContact OE1-NE 3.49Å; P35-R37 PolarHBondContact O-N 3.37Å; R37-H39 PolarHBondContact O-N 2.97Å |
| 38 | N | 54.2 | Low | 56.6 | Low | 166 Ų | 166 | 138.5 Ų | 138.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | trans | -48.1 | 96 | 179.7 | -72.3 | -40.5 | 0 | 0 | 0 | 110.6 | P36 E40 | P36-N38 PolarHBondContact O-N 2.93Å; N38-E40 PolarHBondContact O-N 2.99Å |
| 39 | H | 53.6 | Low | 56.7 | Low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | | | trans | -79.1 | 100.5 | 153.8 | -82.6 | -70.7 | 0 | 0 | 0 | 105.6 | R37 P41 | R37-H39 PolarHBondContact O-N 2.97Å; H39-P41 WeakPolarHBondContact O-CD 3.31Å |
| 40 | E | 50.9 | Low | 57.2 | Low | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -60.9 | 116.7 | 165.7 | -169 | -163.7 | 136 | 0 | 0 | 108.7 | N38 | N38-E40 PolarHBondContact O-N 2.99Š|
| 41 | P | 58.8 | Low | 58.2 | Low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -98.5 | 105.3 | 160.2 | 8.8 | 14.6 | 0 | 0 | 0 | 105.9 | H39 G43 | H39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-G43 PolarHBondContact O-N 3.35Å |
| 42 | S | 52.4 | Low | 59.3 | Low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -48.4 | 129.5 | 170.8 | -46.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 43 | G | 46.3 | Very low | 60.3 | Low | 57 Ų | 57 | 132.3 Ų | 132.3 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | 110.9 | 116.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | P41 | P41-G43 PolarHBondContact O-N 3.35Š|
| 44 | H | 55.8 | Low | 61 | Low | 180 Ų | 180 | 133 Ų | 133 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | | | | 155.8 | 98.8 | 116.2 | -73.6 | -1.7 | 0 | 0 | 0 | 111.3 | | |
| 45 | H | 49 | Very low | 61.4 | Low | 188 Ų | 188 | 132.7 Ų | 132.7 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | 17.3 | 103.1 | 149 | -53.4 | -77.3 | 0 | 0 | 0 | 119 | | |
| 46 | G | 51.2 | Low | 61.8 | Low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | -94.6 | 139.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 47 | P | 62.1 | Low | 62.2 | Low | 130 Ų | 130 | 131.5 Ų | 131.5 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | | | trans | -68.4 | 137.2 | -173.4 | 27.5 | -33.1 | 0 | 0 | 0 | 111.8 | G49 | P47-G49 PolarHBondContact O-N 3.45Å; P47-G49 VanDerWaalsContact O-N 3.13Å |
| 48 | K | 60.1 | Low | 62.2 | Low | 210 Ų | 210 | 129.3 Ų | 129.3 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | | | trans | -55.2 | 113.2 | 176.3 | -76.9 | 177.3 | 173.1 | 178.6 | 0 | 110.5 | | |
| 49 | G | 56.2 | Low | 63 | Low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 134.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P47 | P47-G49 PolarHBondContact O-N 3.45Å; P47-G49 VanDerWaalsContact O-N 3.13Å |
| 50 | N | 65.9 | Low | 63.5 | Low | 152 Ų | 152 | 124.4 Ų | 124.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60 | 151.2 | 176.9 | -74.3 | -35.1 | 0 | 0 | 0 | 112.2 | | |
| 51 | P | 77 | Confident | 63.6 | Low | 110 Ų | 110 | 122.2 Ų | 122.2 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 150.3 | 172.5 | 27.1 | -33.8 | 0 | 0 | 0 | 111 | | |
| 52 | P | 77.6 | Confident | 63 | Low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.1 | 175.9 | 26.7 | -33.9 | 0 | 0 | 0 | 110.7 | | |
| 53 | P | 74.9 | Confident | 62.8 | Low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 147.2 | 175.6 | 27.4 | -33.4 | 0 | 0 | 0 | 110.8 | S55 | P53-S55 PolarHBondContact O-N 3.45Š|
| 54 | P | 74.3 | Confident | 63 | Low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 133.7 | 177.6 | 24.5 | -31.4 | 0 | 0 | 0 | 110.7 | G56 | P54-G56 PolarHBondContact O-N 2.93Š|
| 55 | S | 75 | Confident | 63.1 | Low | 128 Ų | 128 | 129.4 Ų | 129.4 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -57.4 | 108.5 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | P53 | P53-S55 PolarHBondContact O-N 3.45Š|
| 56 | G | 72.6 | Confident | 63.1 | Low | 53 Ų | 53 | 125.4 Ų | 125.4 | 55% | 0.546 | 78% | 0.783 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 163.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | P54 N58 | P54-G56 PolarHBondContact O-N 2.93Å; G56-N58 PolarHBondContact O-N 3.45Å |
| 57 | P | 74 | Confident | 62.9 | Low | 134 Ų | 134 | 130.2 Ų | 130.2 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129 | 178.8 | 23.9 | -31.2 | 0 | 0 | 0 | 110.9 | | |
| 58 | N | 64.5 | Low | 62.7 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.2 | 175.7 | -77.9 | -40.6 | 0 | 0 | 0 | 110.4 | G56 | G56-N58 PolarHBondContact O-N 3.45Š|
| 59 | P | 70.4 | Confident | 62.9 | Low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.2 | 174.1 | 27.2 | -32.9 | 0 | 0 | 0 | 110.8 | S61 | P59-S61 PolarHBondContact O-N 3.32Š|
| 60 | P | 64 | Low | 63.8 | Low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 133.9 | -179.8 | 25.1 | -32.4 | 0 | 0 | 0 | 110.5 | G62 | P60-G62 VanDerWaalsContact C-N 3.29Å; P60-G62 PolarHBondContact O-N 2.97Å |
| 61 | S | 53 | Low | 64.1 | Low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -66.7 | 86.7 | 173.7 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | P59 | P59-S61 PolarHBondContact O-N 3.32Š|
| 62 | G | 46.8 | Very low | 63.4 | Low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 122.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P60 | P60-G62 VanDerWaalsContact C-N 3.29Å; P60-G62 PolarHBondContact O-N 2.97Å |
| 63 | H | 47.8 | Very low | 62.1 | Low | 188 Ų | 188 | 124.9 Ų | 124.9 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 135.7 | 176.9 | -61 | -76.7 | 0 | 0 | 0 | 114.8 | P65 | H63-P65 WeakPolarHBondContact O-CD 3.33Š|
| 64 | R | 51.3 | Low | 61 | Low | 238 Ų | 238 | 123.2 Ų | 123.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 124.6 | 169.7 | -175 | -176.6 | -173.7 | -171.3 | 3.2 | 110.3 | | |
| 65 | P | 57.4 | Low | 59.9 | Low | 109 Ų | 109 | 125.9 Ų | 125.9 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 144.6 | 164.7 | 30.6 | -29.2 | 0 | 0 | 0 | 110.6 | H63 | H63-P65 WeakPolarHBondContact O-CD 3.33Š|
| 66 | P | 49.3 | Very low | 58.8 | Low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 153 | 177.5 | 34.8 | -31.5 | 0 | 0 | 0 | 110.5 | | |
| 67 | N | 47.7 | Very low | 58 | Low | 168 Ų | 168 | 128.7 Ų | 128.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | trans | 81.4 | 97.6 | 168.7 | -51.9 | -28 | 0 | 0 | 0 | 117.4 | | |
| 68 | G | 57.4 | Low | 57 | Low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -149.8 | 136.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 69 | P | 65 | Low | 56.3 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 153.1 | -173.7 | 29.1 | -34.1 | 0 | 0 | 0 | 112.6 | | |
| 70 | P | 74.9 | Confident | 55.3 | Low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 142.4 | 178.1 | 29.8 | -33.8 | 0 | 0 | 0 | 111.7 | | |
| 71 | P | 71 | Confident | 54.6 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 145.7 | 170.6 | 28.8 | -32 | 0 | 0 | 0 | 111.6 | | |
| 72 | P | 63.6 | Low | 54.7 | Low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 147.6 | -169.3 | 30.4 | -34.4 | 0 | 0 | 0 | 114.1 | | |
| 73 | S | 50.1 | Low | 54.7 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 119.5 | 175.7 | 38.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 74 | G | 50.2 | Low | 55 | Low | 79 Ų | 79 | 124.9 Ų | 124.9 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | -109.5 | 113.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 75 | H | 52.6 | Low | 54.9 | Low | 183 Ų | 183 | 124.2 Ų | 124.2 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 160.9 | 171.1 | -87.9 | -74.8 | 0 | 0 | 0 | 112.1 | | |
| 76 | P | 51.9 | Low | 54.4 | Low | 110 Ų | 110 | 126.9 Ų | 126.9 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 167.5 | -153.2 | 39.4 | -33.7 | 0 | 0 | 0 | 114 | | |
| 77 | P | 55.3 | Low | 54.4 | Low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 150.3 | 159.6 | 34.6 | -28.4 | 0 | 0 | 0 | 112.5 | | |
| 78 | A | 52.8 | Low | 54.2 | Low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 171.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 79 | S | 50 | Low | 53.8 | Low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | 67.2 | 107.1 | 148.3 | 54.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 80 | N | 48.6 | Very low | 52.8 | Low | 145 Ų | 145 | 135.8 Ų | 135.8 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | -146.7 | 112.2 | 137.3 | -134.6 | 8.8 | 0 | 0 | 0 | 109 | | |
| 81 | P | 50.6 | Low | 51.6 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -102 | 85.6 | 174.4 | 35.2 | -23.8 | 0 | 0 | 0 | 109.1 | | |
| 82 | H | 54.6 | Low | 50.6 | Low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | -136.1 | 107.4 | 174 | -85.9 | -44.2 | 0 | 0 | 0 | 112.6 | | |
| 83 | G | 46 | Very low | 50.5 | Low | 63 Ų | 63 | 142.5 Ų | 142.5 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | 91.8 | 125.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R85 | G83-R85 PolarHBondContact O-N 3.36Š|
| 84 | P | 55.7 | Low | 51.3 | Low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | | | trans | -63.8 | 97 | 156.7 | 27.8 | -29.4 | 0 | 0 | 0 | 107 | N86 | P84-N86 PolarHBondContact O-N 2.98Š|
| 85 | R | 49.1 | Very low | 52.6 | Low | 223 Ų | 223 | 143.4 Ų | 143.4 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | | | trans | -64.1 | 105.9 | 171.9 | -151.4 | 178.3 | -174.5 | -166.4 | 1.6 | 105.9 | G83 S87 | G83-R85 PolarHBondContact O-N 3.36Å; R85-S87 PolarHBondContact O-N 3.02Å; R85-S87 PolarHBondContact O-OG 3.45Å; R85-S87 VanDerWaalsContact O-OG 3.11Å |
| 86 | N | 45.2 | Very low | 53.8 | Low | 166 Ų | 166 | 140.6 Ų | 140.6 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | trans | -64.2 | 67 | 164.5 | -88.3 | -16.4 | 0 | 0 | 0 | 108.9 | P84 R88 | P84-N86 PolarHBondContact O-N 2.98Å; N86-R88 PolarHBondContact O-N 3.41Å |
| 87 | S | 49.8 | Very low | 54.9 | Low | 64 Ų | 64 | 146.2 Ų | 146.2 | 45% | 0.448 | 77% | 0.77 | S | S | . | * | | | trans | -84.2 | 102.2 | 168.2 | 6.3 | 0 | 0 | 0 | 0 | 106.3 | R85 Q89 | R85-S87 PolarHBondContact O-N 3.02Å; R85-S87 PolarHBondContact O-OG 3.45Å; R85-S87 VanDerWaalsContact O-OG 3.11Å; S87-Q89 PolarHBondContact O-N 2.98Å |
| 88 | R | 44.9 | Very low | 56.2 | Low | 254 Ų | 254 | 144.8 Ų | 144.8 | 96% | 0.958 | 76% | 0.761 | S | S | * | * | | | trans | -48.2 | 80.7 | 150.4 | -69.7 | 177.3 | 172 | -172.4 | -2 | 109.2 | N86 | N86-R88 PolarHBondContact O-N 3.41Š|
| 89 | Q | 48.6 | Very low | 57.7 | Low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | -129.4 | 74.5 | 163 | -99.3 | 169.9 | -49.1 | 0 | 0 | 105.2 | S87 R91 | S87-Q89 PolarHBondContact O-N 2.98Å; Q89-R91 PolarHBondContact O-N 2.96Å |
| 90 | K | 43.8 | Very low | 59.2 | Low | 178 Ų | 178 | 147 Ų | 147 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -55.3 | 100.6 | 156.1 | -102.5 | -172.9 | 175.5 | -169.5 | 0 | 105.5 | H92 | K90-H92 PolarHBondContact O-N 3.45Š|
| 91 | R | 49.5 | Very low | 60.8 | Low | 221 Ų | 221 | 145 Ų | 145 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | trans | -57.5 | 92.6 | 163.8 | -67.9 | 177.9 | -180 | -110.5 | 2.1 | 106.2 | Q89 D93 | Q89-R91 PolarHBondContact O-N 2.96Å; R91-D93 PolarHBondContact O-N 3.27Å; R91-D93 VanDerWaalsContact O-N 3.12Å |
| 92 | H | 49.7 | Very low | 62.2 | Low | 153 Ų | 153 | 145.4 Ų | 145.4 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | trans | -81.3 | 66.6 | 162.9 | -81.2 | -76.4 | 0 | 0 | 0 | 107 | K90 S94 | K90-H92 PolarHBondContact O-N 3.45Å; H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact O-N 3.46Å |
| 93 | D | 60.9 | Low | 63.1 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -64.3 | 102.3 | 157.6 | -89.8 | -44.2 | 0 | 0 | 0 | 105.4 | R91 | R91-D93 PolarHBondContact O-N 3.27Å; R91-D93 VanDerWaalsContact O-N 3.12Å |
| 94 | S | 68 | Low | 64.1 | Low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 135.3 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 107.7 | H92 | H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact O-N 3.46Å |
| 95 | P | 76.6 | Confident | 64.7 | Low | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57 | 149.8 | 177 | 23.5 | -32.4 | 0 | 0 | 0 | 110.2 | R97 | P95-R97 PolarHBondContact O-N 2.91Š|
| 96 | P | 77.9 | Confident | 65.4 | Low | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -53 | 134.1 | 177 | 20.7 | -31 | 0 | 0 | 0 | 110 | | |
| 97 | R | 75 | Confident | 66.2 | Low | 228 Ų | 228 | 137.7 Ų | 137.7 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.4 | -179 | -142.2 | 174.3 | -163.3 | -122.1 | 4.1 | 108.5 | P95 | P95-R97 PolarHBondContact O-N 2.91Š|
| 98 | P | 82.1 | Confident | 66.6 | Low | 100 Ų | 100 | 140.2 Ų | 140.2 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 155 | 175.8 | 25.6 | -33.5 | 0 | 0 | 0 | 110.4 | V100 | P98-V100 PolarHBondContact O-N 3.28Š|
| 99 | P | 84.4 | Confident | 67.6 | Low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.8 | 176.8 | 23.9 | -33.2 | 0 | 0 | 0 | 110.3 | P101 | P99-P101 WeakPolarHBondContact O-CD 3.33Š|
| 100 | V | 83 | Confident | 67.9 | Low | 122 Ų | 122 | 135.6 Ų | 135.6 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 122.9 | 174.1 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | P98 | P98-V100 PolarHBondContact O-N 3.28Š|
| 101 | P | 80.7 | Confident | 68.5 | Low | 102 Ų | 102 | 135.4 Ų | 135.4 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 146.9 | 175.5 | 26.2 | -32.6 | 0 | 0 | 0 | 109.9 | P99 S103 | P99-P101 WeakPolarHBondContact O-CD 3.33Å; P101-S103 PolarHBondContact O-N 3.49Å |
| 102 | P | 81.2 | Confident | 68.9 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 137.3 | 175.7 | 24 | -32.5 | 0 | 0 | 0 | 109.8 | | |
| 103 | S | 72.4 | Confident | 69.4 | Low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 132.6 | 173.5 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | P101 S105 | P101-S103 PolarHBondContact O-N 3.49Å; S103-S105 PolarHBondContact O-N 3.31Å |
| 104 | P | 68.2 | Low | 69.1 | Low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118.7 | 177.3 | 22.8 | -31.1 | 0 | 0 | 0 | 108.4 | V106 | P104-V106 PolarHBondContact O-N 2.92Å; P104-V106 VanDerWaalsContact O-N 3.12Å |
| 105 | S | 68.4 | Low | 68.8 | Low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 121.3 | 171.6 | -57.4 | 0 | 0 | 0 | 0 | 108.2 | S103 | S103-S105 PolarHBondContact O-N 3.31Š|
| 106 | V | 63.7 | Low | 67.7 | Low | 126 Ų | 126 | 126.7 Ų | 126.7 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 129.9 | 175.8 | -149.4 | 0 | 0 | 0 | 0 | 107.6 | P104 S108 | P104-V106 PolarHBondContact O-N 2.92Å; P104-V106 VanDerWaalsContact O-N 3.12Å; V106-S108 PolarHBondContact O-N 2.96Å |
| 107 | P | 61.5 | Low | 66.5 | Low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -58.9 | 108.7 | 176.8 | -19.4 | 29.3 | 0 | 0 | 0 | 108.5 | K109 | P107-K109 PolarHBondContact O-N 2.93Š|
| 108 | S | 58.7 | Low | 65.5 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | | | trans | -53.5 | 123.4 | 167.6 | -52.6 | 0 | 0 | 0 | 0 | 107.1 | V106 | V106-S108 PolarHBondContact O-N 2.96Š|
| 109 | K | 65.2 | Low | 64.3 | Low | 194 Ų | 194 | 119.5 Ų | 119.5 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | -42 | 138.9 | 174.9 | -119 | 177.2 | 179.9 | 179.8 | 0 | 109.8 | P107 K111 | P107-K109 PolarHBondContact O-N 2.93Å; K109-K111 PolarHBondContact O-N 3.42Å |
| 110 | P | 55.9 | Low | 62.6 | Low | 122 Ų | 122 | 118 Ų | 118 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 119.9 | 176 | -15.7 | 26.9 | 0 | 0 | 0 | 108 | G112 | P110-G112 PolarHBondContact O-N 3.05Å; P110-G112 VanDerWaalsContact O-N 3.15Å |
| 111 | K | 54.9 | Low | 61.3 | Low | 173 Ų | 173 | 117.6 Ų | 117.6 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.3 | 172.3 | -151.5 | 160 | 177.6 | 178.9 | 0 | 105.3 | K109 H114 | K109-K111 PolarHBondContact O-N 3.42Å; K111-H114 WeakPolarHBondContact CD-NE2 3.13Å; K111-H114 WeakPolarHBondContact CG-NE2 3.47Å |
| 112 | G | 59.5 | Low | 59.9 | Low | 48 Ų | 48 | 117.6 Ų | 117.6 | 50% | 0.495 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 170.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | P110 H114 | P110-G112 PolarHBondContact O-N 3.05Å; P110-G112 VanDerWaalsContact O-N 3.15Å; G112-H114 PolarHBondContact O-CD2 3.15Å; G112-H114 PolarHBondContact O-N 3.5Å |
| 113 | P | 59.7 | Low | 58.6 | Low | 136 Ų | 136 | 118 Ų | 118 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 116.1 | -171.4 | 22.2 | -32.3 | 0 | 0 | 0 | 110.4 | | |
| 114 | H | 54 | Low | 57.7 | Low | 123 Ų | 123 | 117.3 Ų | 117.3 | 57% | 0.569 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.7 | 174 | -74.6 | -97.6 | 0 | 0 | 0 | 108.7 | K111 G112 | K111-H114 WeakPolarHBondContact CD-NE2 3.13Å; K111-H114 WeakPolarHBondContact CG-NE2 3.47Å; G112-H114 PolarHBondContact O-CD2 3.15Å; G112-H114 PolarHBondContact O-N 3.5Å |
| 115 | P | 61.5 | Low | 57 | Low | 107 Ų | 107 | 117.6 Ų | 117.6 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 143.8 | 169.8 | 26.3 | -32.4 | 0 | 0 | 0 | 109.2 | S117 | P115-S117 PolarHBondContact O-N 3.13Å; P115-S117 VanDerWaalsContact O-N 3.15Å |
| 116 | P | 53.4 | Low | 56.3 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 120.4 | -177 | 23.5 | -31.9 | 0 | 0 | 0 | 110.1 | | |
| 117 | S | 53.7 | Low | 55.8 | Low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.2 | 170.5 | -82.1 | 0 | 0 | 0 | 0 | 109.7 | P115 G119 | P115-S117 PolarHBondContact O-N 3.13Å; P115-S117 VanDerWaalsContact O-N 3.15Å; S117-G119 PolarHBondContact O-N 3.43Å; S117-G119 VanDerWaalsContact O-N 3.09Å |
| 118 | P | 53.3 | Low | 55.3 | Low | 136 Ų | 136 | 118.4 Ų | 118.4 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 112.5 | 176.7 | 27 | -30.6 | 0 | 0 | 0 | 108.6 | | |
| 119 | G | 57.4 | Low | 54.9 | Low | 78 Ų | 78 | 118.6 Ų | 118.6 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126 | -0.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | S117 | S117-G119 PolarHBondContact O-N 3.43Å; S117-G119 VanDerWaalsContact O-N 3.09Å |
| 120 | S | 48.9 | Very low | 54.4 | Low | 92 Ų | 92 | 117.7 Ų | 117.7 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 127.8 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | S122 | S120-S122 PolarHBondContact O-N 3.27Š|
| 121 | P | 55.3 | Low | 54 | Low | 112 Ų | 112 | 120.3 Ų | 120.3 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.8 | 172.3 | 25.4 | -31.5 | 0 | 0 | 0 | 109 | | |
| 122 | S | 50.9 | Low | 53.8 | Low | 103 Ų | 103 | 118.6 Ų | 118.6 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 121.4 | -178.9 | -153.1 | 0 | 0 | 0 | 0 | 109.6 | S120 | S120-S122 PolarHBondContact O-N 3.27Š|
| 123 | L | 53.7 | Low | 53.3 | Low | 129 Ų | 129 | 119.2 Ų | 119.2 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | trans | -95.7 | 103.7 | 171.2 | -65.7 | 176 | 0 | 0 | 0 | 108.2 | L139 | L123-L139 HydrophobicContact CD2-CG 4.27Š|
| 124 | S | 54.8 | Low | 52.8 | Low | 93 Ų | 93 | 115.7 Ų | 115.7 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | | | trans | -93.5 | 120.6 | 171.7 | -68.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 125 | L | 53 | Low | 53 | Low | 131 Ų | 131 | 115.2 Ų | 115.2 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | | | trans | -95 | 109.1 | 168.1 | -86.1 | 156.3 | 0 | 0 | 0 | 108.3 | | |
| 126 | E | 54.1 | Low | 52.6 | Low | 167 Ų | 167 | 120.2 Ų | 120.2 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | trans | -95.3 | 102.1 | 171.3 | -163.1 | 179.3 | 119.9 | 0 | 0 | 108.5 | G128 | E126-G128 PolarHBondContact O-N 3.17Š|
| 127 | L | 52 | Low | 52.8 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | trans | -85.3 | 87.1 | 170.2 | -100.9 | 78.4 | 0 | 0 | 0 | 109 | S129 | L127-S129 PolarHBondContact O-N 3.3Š|
| 128 | G | 51 | Low | 52.9 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | | | trans | -75.1 | 114.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E126 K130 | E126-G128 PolarHBondContact O-N 3.17Å; G128-K130 VanDerWaalsContact C-N 3.26Å; G128-K130 PolarHBondContact O-N 3.15Å |
| 129 | S | 50.7 | Low | 52.8 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -84.7 | 14.9 | -179.9 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | L127 | L127-S129 PolarHBondContact O-N 3.3Š|
| 130 | K | 54 | Low | 52.6 | Low | 176 Ų | 176 | 120.2 Ų | 120.2 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -145.4 | 91.3 | -178.7 | -65.3 | -179.1 | -179.1 | -177.8 | 0 | 108.5 | G128 | G128-K130 VanDerWaalsContact C-N 3.26Å; G128-K130 PolarHBondContact O-N 3.15Å |
| 131 | H | 48.5 | Very low | 52.6 | Low | 177 Ų | 177 | 122.9 Ų | 122.9 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 166.7 | 148.4 | 150.1 | -87.9 | -59.8 | 0 | 0 | 0 | 110.4 | G133 | H131-G133 VanDerWaalsContact C-N 3.33Å; H131-G133 PolarHBondContact O-N 3.32Å |
| 132 | P | 49.9 | Very low | 52.5 | Low | 136 Ų | 136 | 128.8 Ų | 128.8 | 88% | 0.883 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -79 | 84.8 | -180 | 33.5 | -31.2 | 0 | 0 | 0 | 109 | | |
| 133 | G | 50.1 | Low | 52.4 | Low | 61 Ų | 61 | 135.5 Ų | 135.5 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 178.8 | 109.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | H131 | H131-G133 VanDerWaalsContact C-N 3.33Å; H131-G133 PolarHBondContact O-N 3.32Å |
| 134 | G | 49.1 | Very low | 52.1 | Low | 62 Ų | 62 | 141.4 Ų | 141.4 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | trans | -57.7 | -179.9 | -166 | 0 | 0 | 0 | 0 | 0 | 115.7 | R136 | G134-R136 PolarHBondContact O-N 3.21Š|
| 135 | P | 57 | Low | 52 | Low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | trans | -53.2 | 118.1 | -175.8 | 23 | -33.7 | 0 | 0 | 0 | 110.5 | | |
| 136 | R | 54.1 | Low | 51.9 | Low | 212 Ų | 212 | 144.5 Ų | 144.5 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | -96.4 | 104.1 | -177.5 | -161.3 | 174 | 171.1 | 178.6 | -3.1 | 108.5 | G134 T138 | G134-R136 PolarHBondContact O-N 3.21Å; R136-T138 PolarHBondContact O-N 3.09Å |
| 137 | V | 57.2 | Low | 51.8 | Low | 106 Ų | 106 | 143.2 Ų | 143.2 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | | | trans | -80.9 | 117.2 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 138 | T | 55.1 | Low | 51.8 | Low | 79 Ų | 79 | 142.9 Ų | 142.9 | 49% | 0.485 | 76% | 0.761 | S | S | . | * | | | trans | -110.6 | 120.1 | 178.5 | -49.7 | 0 | 0 | 0 | 0 | 109.2 | R136 | R136-T138 PolarHBondContact O-N 3.09Š|
| 139 | L | 51.7 | Low | 51.9 | Low | 113 Ų | 113 | 147.9 Ų | 147.9 | 59% | 0.592 | 77% | 0.768 | S | S | * | * | | | trans | -104.1 | 106 | -178.9 | -133.6 | 155.4 | 0 | 0 | 0 | 108.6 | L123 L141 | L123-L139 HydrophobicContact CD2-CG 4.27Å; L139-L141 HydrophobicContact CD2-CD1 3.67Å; L139-L141 HydrophobicContact CD2-CG 4.29Å |
| 140 | N | 54.3 | Low | 51.9 | Low | 132 Ų | 132 | 149.9 Ų | 149.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -93.2 | 102.2 | 176.7 | -76.3 | -58.1 | 0 | 0 | 0 | 109.7 | | |
| 141 | L | 48.6 | Very low | 51.8 | Low | 148 Ų | 148 | 148 Ų | 148 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | -88.3 | 107 | 166.1 | -75.7 | 105.6 | 0 | 0 | 0 | 109.5 | L139 R143 | L139-L141 HydrophobicContact CD2-CD1 3.67Å; L139-L141 HydrophobicContact CD2-CG 4.29Å; L141-R143 PolarHBondContact O-N 3.28Å |
| 142 | R | 52 | Low | 52.1 | Low | 235 Ų | 235 | 145.8 Ų | 145.8 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | | | trans | -70.9 | 112.1 | 162.7 | -103.5 | -177.2 | 175.4 | 179.2 | -1.2 | 108.1 | | |
| 143 | R | 49.4 | Very low | 52.2 | Low | 244 Ų | 244 | 146.6 Ų | 146.6 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | | | trans | -72.3 | 121 | 161.5 | -74.5 | -173.1 | -178.9 | -179.9 | 0.3 | 107.7 | L141 | L141-R143 PolarHBondContact O-N 3.28Š|
| 144 | H | 48.2 | Very low | 52.4 | Low | 253 Ų | 253 | 154.4 Ų | 154.4 | 100% | 1.171 | 76% | 0.76 | S | S | * | * | | | trans | -78.7 | 0 | 157.9 | -90.2 | -79.6 | 0 | 0 | 0 | 109.4 | | |