| 1 | M | 61.8 | Low | 82.6 | Confident | 191 Ų | 191 | 122.7 Ų | 122.7 | 94% | 0.941 | 61% | 0.61 | S | S | * | * | | | | 0 | -29.1 | 0 | -64.1 | -53.7 | 177.3 | 0 | 0 | 114.7 | K3 F4 H5 | M1-K3 PolarHBondContact O-N 3.37Å; M1-F4 PolarHBondContact O-N 2.9Å; M1-H5 PolarHBondContact O-CE1 3.43Å; M1-H5 PolarHBondContact O-ND1 2.99Å |
| 2 | A | 67.9 | Low | 83.4 | Confident | 64 Ų | 64 | 119.8 Ų | 119.8 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -34 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | F4 H5 Y6 | A2-F4 VanDerWaalsContact C-N 3.28Å; A2-F4 PolarHBondContact O-N 2.83Å; A2-H5 WeakPolarHBondContact O-CB 3.22Å; A2-H5 PolarHBondContact O-N 3.43Å; A2-Y6 WeakPolarHBondContact O-CD2 3.43Å |
| 3 | K | 71.4 | Confident | 84 | Confident | 190 Ų | 190 | 120.4 Ų | 120.4 | 83% | 0.826 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.1 | -34.6 | -177.3 | -62.7 | 179.2 | -178.8 | 179.6 | 0 | 113.1 | M1 H5 A7 | M1-K3 PolarHBondContact O-N 3.37Å; K3-H5 VanDerWaalsContact C-N 3.32Å; K3-A7 PolarHBondContact O-N 2.77Å |
| 4 | F | 80.7 | Confident | 84.6 | Confident | 160 Ų | 160 | 118.2 Ų | 118.2 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.1 | -28.8 | 176.1 | -75.5 | -78 | 0 | 0 | 0 | 112.9 | M1 A2 A7 F8 | M1-F4 PolarHBondContact O-N 2.9Å; A2-F4 VanDerWaalsContact C-N 3.28Å; A2-F4 PolarHBondContact O-N 2.83Å; F4-A7 PolarHBondContact O-N 3.25Å; F4-F8 VanDerWaalsContact O-CB 3.25Å; F4-F8 WeakPolarHBondContact O-CB 3.23Å; F4-F8 PolarHBondContact O-N 2.74Å |
| 5 | H | 84.9 | Confident | 84.9 | Confident | 118 Ų | 118 | 114.6 Ų | 114.6 | 55% | 0.546 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.2 | -44.1 | -179.2 | -69.4 | 63.1 | 0 | 0 | 0 | 110.6 | M1 A2 K3 F8 I9 | M1-H5 PolarHBondContact O-CE1 3.43Å; M1-H5 PolarHBondContact O-ND1 2.99Å; A2-H5 WeakPolarHBondContact O-CB 3.22Å; A2-H5 PolarHBondContact O-N 3.43Å; K3-H5 VanDerWaalsContact C-N 3.32Å; H5-F8 PolarHBondContact O-N 2.78Å; H5-I9 WeakPolarHBondContact O-CB 3.19Å; H5-I9 WeakPolarHBondContact O-CD1 3.26Å; H5-I9 WeakPolarHBondContact O-CG1 3.36Å; H5-I9 PolarHBondContact O-N 3.37Å |
| 6 | Y | 87.6 | Confident | 85 | Confident | 175 Ų | 175 | 111.6 Ų | 111.6 | 69% | 0.686 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.5 | -43 | 177.1 | -65.3 | -71 | 0 | 0 | 0 | 112.6 | A2 F8 I9 A10 | A2-Y6 WeakPolarHBondContact O-CD2 3.43Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-F8 PolarHBondContact O-N 3.18Å; Y6-I9 PolarHBondContact O-N 2.76Å; Y6-A10 WeakPolarHBondContact O-CB 3.41Å; Y6-A10 PolarHBondContact O-N 3.3Å |
| 7 | A | 89.3 | Confident | 85 | Confident | 60 Ų | 60 | 112.6 Ų | 112.6 | 50% | 0.496 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.6 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K3 F4 A10 F11 | K3-A7 PolarHBondContact O-N 2.77Å; F4-A7 PolarHBondContact O-N 3.25Å; A7-A10 PolarHBondContact O-N 3.46Å; A7-F11 WeakPolarHBondContact O-CB 3.36Å; A7-F11 PolarHBondContact O-N 3Å |
| 8 | F | 91.2 | Very high | 85.1 | Confident | 130 Ų | 130 | 115.5 Ų | 115.5 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66 | -42.9 | 177.6 | -174 | -104.9 | 0 | 0 | 0 | 112.1 | F4 H5 Y6 F11 L12 | F4-F8 VanDerWaalsContact O-CB 3.25Å; F4-F8 WeakPolarHBondContact O-CB 3.23Å; F4-F8 PolarHBondContact O-N 2.74Å; H5-F8 PolarHBondContact O-N 2.78Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-F8 PolarHBondContact O-N 3.18Å; F8-F11 PolarHBondContact O-N 2.83Å; F8-L12 HydrophobicContact CD1-CD1 3.93Å; F8-L12 HydrophobicContact CD1-CG 4.41Å; F8-L12 HydrophobicContact CE1-CD1 3.48Å; F8-L12 VanDerWaalsContact CE1-CD1 3.48Å; F8-L12 HydrophobicContact CE1-CG 4.12Å; F8-L12 HydrophobicContact CZ-CD1 4.03Å; F8-L12 HydrophobicContact CZ-CD2 4.45Å; F8-L12 HydrophobicContact CZ-CG 4.31Å; F8-L12 WeakPolarHBondContact O-CG 3.32Å; F8-L12 PolarHBondContact O-N 3.15Å |
| 9 | I | 90.5 | Very high | 84.9 | Confident | 90 Ų | 90 | 114.7 Ų | 114.7 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -44.9 | 175.1 | -66.5 | 163 | 0 | 0 | 0 | 110.6 | H5 Y6 F11 L12 L13 | H5-I9 WeakPolarHBondContact O-CB 3.19Å; H5-I9 WeakPolarHBondContact O-CD1 3.26Å; H5-I9 WeakPolarHBondContact O-CG1 3.36Å; H5-I9 PolarHBondContact O-N 3.37Å; Y6-I9 PolarHBondContact O-N 2.76Å; I9-F11 VanDerWaalsContact C-N 3.29Å; I9-F11 PolarHBondContact O-N 3.35Å; I9-L12 PolarHBondContact O-N 3.24Å; I9-L13 HydrophobicContact CG2-CD1 4.1Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.21Å |
| 10 | A | 91.3 | Very high | 84.5 | Confident | 51 Ų | 51 | 113.1 Ų | 113.1 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.8 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y6 A7 L13 V14 | Y6-A10 WeakPolarHBondContact O-CB 3.41Å; Y6-A10 PolarHBondContact O-N 3.3Å; A7-A10 PolarHBondContact O-N 3.46Å; A10-L13 PolarHBondContact O-N 2.95Å; A10-V14 WeakPolarHBondContact O-CG2 3.23Å; A10-V14 PolarHBondContact O-N 3.4Å |
| 11 | F | 92.5 | Very high | 83.8 | Confident | 121 Ų | 121 | 112 Ų | 112 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62 | -45.1 | 174.9 | -179.5 | -99.2 | 0 | 0 | 0 | 112.3 | A7 F8 I9 L13 V14 L15 | A7-F11 WeakPolarHBondContact O-CB 3.36Å; A7-F11 PolarHBondContact O-N 3Å; F8-F11 PolarHBondContact O-N 2.83Å; I9-F11 VanDerWaalsContact C-N 3.29Å; I9-F11 PolarHBondContact O-N 3.35Å; F11-L13 VanDerWaalsContact C-N 3.25Å; F11-L13 PolarHBondContact O-N 3.36Å; F11-V14 PolarHBondContact O-N 2.92Å; F11-L15 HydrophobicContact CE1-CB 4.5Å; F11-L15 HydrophobicContact CE1-CD2 3.84Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 HydrophobicContact CZ-CD2 4.16Å; F11-L15 WeakPolarHBondContact O-CB 3.22Å; F11-L15 PolarHBondContact O-N 3.18Å |
| 12 | L | 91.9 | Very high | 84 | Confident | 87 Ų | 87 | 105.2 Ų | 105.2 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -25.7 | 176.7 | -72.1 | -179.2 | 0 | 0 | 0 | 113.7 | F8 I9 P16 | F8-L12 HydrophobicContact CD1-CD1 3.93Å; F8-L12 HydrophobicContact CD1-CG 4.41Å; F8-L12 HydrophobicContact CE1-CD1 3.48Å; F8-L12 VanDerWaalsContact CE1-CD1 3.48Å; F8-L12 HydrophobicContact CE1-CG 4.12Å; F8-L12 HydrophobicContact CZ-CD1 4.03Å; F8-L12 HydrophobicContact CZ-CD2 4.45Å; F8-L12 HydrophobicContact CZ-CG 4.31Å; F8-L12 WeakPolarHBondContact O-CG 3.32Å; F8-L12 PolarHBondContact O-N 3.15Å; I9-L12 PolarHBondContact O-N 3.24Å; L12-P16 WeakPolarHBondContact O-CD 2.88Å; L12-P16 VanDerWaalsContact O-CG 3.29Å; L12-P16 WeakPolarHBondContact O-CG 3.22Å |
| 13 | L | 90.7 | Very high | 83.6 | Confident | 128 Ų | 128 | 110 Ų | 110 | 67% | 0.67 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -80.7 | -40.3 | 175.3 | -70.6 | 171.9 | 0 | 0 | 0 | 112.2 | I9 A10 F11 | I9-L13 HydrophobicContact CG2-CD1 4.1Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.21Å; A10-L13 PolarHBondContact O-N 2.95Å; F11-L13 VanDerWaalsContact C-N 3.25Å; F11-L13 PolarHBondContact O-N 3.36Å |
| 14 | V | 92.3 | Very high | 82.7 | Confident | 90 Ų | 90 | 104 Ų | 104 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.4 | -35.9 | -179.2 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | A10 F11 L17 Y18 | A10-V14 WeakPolarHBondContact O-CG2 3.23Å; A10-V14 PolarHBondContact O-N 3.4Å; F11-V14 PolarHBondContact O-N 2.92Å; V14-L17 PolarHBondContact O-N 3.25Å; V14-Y18 WeakPolarHBondContact O-CB 3.29Å; V14-Y18 PolarHBondContact O-N 2.91Å |
| 15 | L | 89.2 | Confident | 81.4 | Confident | 64 Ų | 64 | 103 Ų | 103 | 34% | 0.335 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | -174.4 | 177.7 | 69.1 | 0 | 0 | 0 | 113.3 | F11 L17 Y18 L19 | F11-L15 HydrophobicContact CE1-CB 4.5Å; F11-L15 HydrophobicContact CE1-CD2 3.84Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 HydrophobicContact CZ-CD2 4.16Å; F11-L15 WeakPolarHBondContact O-CB 3.22Å; F11-L15 PolarHBondContact O-N 3.18Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.91Å; L15-Y18 PolarHBondContact O-N 3.48Å; L15-L19 HydrophobicContact CD1-CD1 3.95Å; L15-L19 HydrophobicContact CD1-CG 4.41Å; L15-L19 HydrophobicContact CG-CD1 3.81Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.11Å |
| 16 | P | 87.5 | Confident | 79.7 | Confident | 67 Ų | 67 | 104.8 Ų | 104.8 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 174.9 | -21.8 | 33.5 | 0 | 0 | 0 | 112.7 | L12 L19 C20 | L12-P16 WeakPolarHBondContact O-CD 2.88Å; L12-P16 VanDerWaalsContact O-CG 3.29Å; L12-P16 WeakPolarHBondContact O-CG 3.22Å; P16-L19 PolarHBondContact O-N 2.88Å; P16-C20 VanDerWaalsContact O-CB 3.23Å; P16-C20 WeakPolarHBondContact O-CB 3.38Å; P16-C20 PolarHBondContact O-N 3.3Å; P16-C20 PolarHBondContact O-SG 2.81Å |
| 17 | L | 84.2 | Confident | 78 | Confident | 128 Ų | 128 | 105.8 Ų | 105.8 | 67% | 0.67 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 177.8 | -169.7 | 69.8 | 0 | 0 | 0 | 110.7 | V14 L15 C20 D21 | V14-L17 PolarHBondContact O-N 3.25Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.91Å; L17-C20 PolarHBondContact O-N 3.14Å; L17-D21 WeakPolarHBondContact O-CB 3.36Å; L17-D21 PolarHBondContact O-N 3.41Å |
| 18 | Y | 86.5 | Confident | 75.7 | Confident | 165 Ų | 165 | 106.9 Ų | 106.9 | 65% | 0.647 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 175.1 | -178.3 | -97.9 | 0 | 0 | 0 | 112.3 | V14 L15 D21 A22 | V14-Y18 WeakPolarHBondContact O-CB 3.29Å; V14-Y18 PolarHBondContact O-N 2.91Å; L15-Y18 PolarHBondContact O-N 3.48Å; Y18-D21 PolarHBondContact O-N 2.9Å; Y18-A22 VanDerWaalsContact O-CB 3.22Å; Y18-A22 WeakPolarHBondContact O-CB 3.17Å; Y18-A22 PolarHBondContact O-N 3.12Å |
| 19 | L | 82.1 | Confident | 73.7 | Confident | 100 Ų | 100 | 105 Ų | 105 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.8 | -78.2 | 157.5 | 0 | 0 | 0 | 112.1 | L15 P16 R23 | L15-L19 HydrophobicContact CD1-CD1 3.95Å; L15-L19 HydrophobicContact CD1-CG 4.41Å; L15-L19 HydrophobicContact CG-CD1 3.81Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.11Å; P16-L19 PolarHBondContact O-N 2.88Å; L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 3.25Å |
| 20 | C | 77.4 | Confident | 71.5 | Confident | 83 Ų | 83 | 108.6 Ų | 108.6 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.2 | -44.6 | 175.8 | -77 | 0 | 0 | 0 | 0 | 110.9 | P16 L17 R23 S24 | P16-C20 VanDerWaalsContact O-CB 3.23Å; P16-C20 WeakPolarHBondContact O-CB 3.38Å; P16-C20 PolarHBondContact O-N 3.3Å; P16-C20 PolarHBondContact O-SG 2.81Å; L17-C20 PolarHBondContact O-N 3.14Å; C20-R23 PolarHBondContact O-N 2.81Å; C20-S24 PolarHBondContact O-N 3.07Å; C20-S24 PolarHBondContact O-OG 3.18Å; C20-S24 VanDerWaalsContact O-OG 3.07Å |
| 21 | D | 69.6 | Low | 69.3 | Low | 91 Ų | 91 | 115.6 Ų | 115.6 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -44.2 | 179.4 | -157.5 | 4.5 | 0 | 0 | 0 | 111.7 | L17 Y18 R23 S24 H25 | L17-D21 WeakPolarHBondContact O-CB 3.36Å; L17-D21 PolarHBondContact O-N 3.41Å; Y18-D21 PolarHBondContact O-N 2.9Å; D21-R23 VanDerWaalsContact C-N 3.25Å; D21-R23 PolarHBondContact O-N 2.91Å; D21-S24 VanDerWaalsContact CA-OG 3.22Å; D21-S24 WeakPolarHBondContact CA-OG 3.4Å; D21-S24 PolarHBondContact O-N 3.36Å; D21-S24 PolarHBondContact O-OG 3.36Å; D21-H25 PolarHBondContact O-CD2 2.91Å; D21-H25 VanDerWaalsContact O-CD2 3.25Å; D21-H25 PolarHBondContact O-N 2.98Å; D21-H25 IonicContact OD1-CD2 3.36Å; D21-H25 PolarHBondContact OD1-CD2 3.37Å; D21-H25 IonicContact OD1-NE2 3.65Å |
| 22 | A | 66.2 | Low | 67.4 | Low | 48 Ų | 48 | 117.7 Ų | 117.7 | 40% | 0.397 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60 | -36.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y18 H25 H26 | Y18-A22 VanDerWaalsContact O-CB 3.22Å; Y18-A22 WeakPolarHBondContact O-CB 3.17Å; Y18-A22 PolarHBondContact O-N 3.12Å; A22-H25 PolarHBondContact O-N 2.86Å; A22-H26 WeakPolarHBondContact O-CB 3.25Å; A22-H26 PolarHBondContact O-N 3.43Å |
| 23 | R | 58.3 | Low | 65.5 | Low | 164 Ų | 164 | 121.3 Ų | 121.3 | 62% | 0.619 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.7 | -31.7 | 177.5 | -160.3 | 175.8 | -168.9 | -172.9 | 4.1 | 112.4 | L19 C20 D21 R27 | L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 3.25Å; C20-R23 PolarHBondContact O-N 2.81Å; D21-R23 VanDerWaalsContact C-N 3.25Å; D21-R23 PolarHBondContact O-N 2.91Å; R23-R27 WeakPolarHBondContact O-CB 3.4Å; R23-R27 PolarHBondContact O-N 2.85Å |
| 24 | S | 53.5 | Low | 63.2 | Low | 65 Ų | 65 | 118.1 Ų | 118.1 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.2 | -36.6 | 169.8 | 38.4 | 0 | 0 | 0 | 0 | 112.2 | C20 D21 S28 | C20-S24 PolarHBondContact O-N 3.07Å; C20-S24 PolarHBondContact O-OG 3.18Å; C20-S24 VanDerWaalsContact O-OG 3.07Å; D21-S24 VanDerWaalsContact CA-OG 3.22Å; D21-S24 WeakPolarHBondContact CA-OG 3.4Å; D21-S24 PolarHBondContact O-N 3.36Å; D21-S24 PolarHBondContact O-OG 3.36Å; S24-S28 VanDerWaalsContact O-CB 3.26Å; S24-S28 WeakPolarHBondContact O-CB 3.19Å; S24-S28 PolarHBondContact O-N 3.19Å |
| 25 | H | 53.3 | Low | 60.8 | Low | 139 Ų | 139 | 120.4 Ų | 120.4 | 64% | 0.644 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.7 | -36.9 | 172.7 | -83.2 | -76.8 | 0 | 0 | 0 | 112.4 | D21 A22 S28 | D21-H25 PolarHBondContact O-CD2 2.91Å; D21-H25 VanDerWaalsContact O-CD2 3.25Å; D21-H25 PolarHBondContact O-N 2.98Å; D21-H25 IonicContact OD1-CD2 3.36Å; D21-H25 PolarHBondContact OD1-CD2 3.37Å; D21-H25 IonicContact OD1-NE2 3.65Å; A22-H25 PolarHBondContact O-N 2.86Å; H25-S28 PolarHBondContact O-N 3.48Å |
| 26 | H | 49.4 | Very low | 58.8 | Low | 155 Ų | 155 | 125.1 Ų | 125.1 | 72% | 0.718 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.8 | -20.3 | 179.1 | -158 | -65.5 | 0 | 0 | 0 | 114.2 | A22 S28 P29 | A22-H26 WeakPolarHBondContact O-CB 3.25Å; A22-H26 PolarHBondContact O-N 3.43Å; H26-S28 VanDerWaalsContact C-N 3.3Å; H26-P29 VanDerWaalsContact O-CD 3.23Å; H26-P29 WeakPolarHBondContact O-CD 3.4Å |
| 27 | R | 50.9 | Low | 56.9 | Low | 195 Ų | 195 | 132.9 Ų | 132.9 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 2.5 | 168.4 | -88.2 | -169.6 | 171.1 | 162.8 | -3.4 | 113.8 | R23 | R23-R27 WeakPolarHBondContact O-CB 3.4Å; R23-R27 PolarHBondContact O-N 2.85Å |
| 28 | S | 40.5 | Very low | 55.4 | Low | 84 Ų | 84 | 135 Ų | 135 | 59% | 0.587 | 68% | 0.683 | S | S | * | * | | | trans | -124.6 | 50.7 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 114.6 | S24 H25 H26 | S24-S28 VanDerWaalsContact O-CB 3.26Å; S24-S28 WeakPolarHBondContact O-CB 3.19Å; S24-S28 PolarHBondContact O-N 3.19Å; H25-S28 PolarHBondContact O-N 3.48Å; H26-S28 VanDerWaalsContact C-N 3.3Å |
| 29 | P | 50.6 | Low | 53.4 | Low | 91 Ų | 91 | 135.7 Ų | 135.7 | 59% | 0.591 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -114.2 | 8.5 | 156.2 | 37.5 | -31.8 | 0 | 0 | 0 | 114.1 | H26 | H26-P29 VanDerWaalsContact O-CD 3.23Å; H26-P29 WeakPolarHBondContact O-CD 3.4Å |
| 30 | E | 42.6 | Very low | 51.8 | Low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -98 | 3.1 | -173.7 | -51.2 | -168.6 | -156.8 | 0 | 0 | 114.1 | | |
| 31 | K | 46.8 | Very low | 50.4 | Low | 198 Ų | 198 | 138 Ų | 138 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -97.8 | 18.8 | -177.1 | -97 | -178.8 | 179 | -179.6 | 0 | 115.2 | | |
| 32 | L | 52.6 | Low | 49.3 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -130.8 | 9.1 | -177.9 | -80.2 | 165.5 | 0 | 0 | 0 | 115.3 | | |
| 33 | L | 51.1 | Low | 48 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -133.3 | 121.9 | 171.2 | -68.9 | 163.8 | 0 | 0 | 0 | 108.1 | | |
| 34 | G | 43 | Very low | 47.5 | Very low | 61 Ų | 61 | 146.3 Ų | 146.3 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | | | trans | -56.1 | 179.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | L36 | G34-L36 PolarHBondContact O-N 3.19Š|
| 35 | P | 42.3 | Very low | 47 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | | | trans | -67.8 | 84.5 | -158.9 | 29.8 | -35.9 | 0 | 0 | 0 | 112.4 | R37 | P35-R37 PolarHBondContact O-N 2.9Š|
| 36 | L | 46.7 | Very low | 46.5 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -92.4 | 93.4 | 176 | -157.8 | 69 | 0 | 0 | 0 | 109.2 | G34 H38 | G34-L36 PolarHBondContact O-N 3.19Å; L36-H38 PolarHBondContact O-N 3.42Å |
| 37 | R | 47.6 | Very low | 46.4 | Very low | 229 Ų | 229 | 144.7 Ų | 144.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -19 | 109.5 | 156 | -62.7 | 176.9 | 167.5 | 175.1 | -4.9 | 112.8 | P35 | P35-R37 PolarHBondContact O-N 2.9Š|
| 38 | H | 51.8 | Low | 46.2 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -157.4 | 71.1 | 150.2 | -119.6 | -72 | 0 | 0 | 0 | 109.7 | L36 D40 | L36-H38 PolarHBondContact O-N 3.42Å; H38-D40 PolarHBondContact O-N 2.86Å |
| 39 | H | 45.5 | Very low | 46.5 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -66.9 | 114.5 | 148 | -132.4 | -62.7 | 0 | 0 | 0 | 104.7 | | |
| 40 | D | 47.9 | Very low | 46.4 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | | | trans | -174.5 | 124.6 | 143.6 | -92.3 | -38.9 | 0 | 0 | 0 | 111.1 | H38 | H38-D40 PolarHBondContact O-N 2.86Š|
| 41 | S | 48.9 | Very low | 46.7 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | trans | 70.2 | 102.8 | 143.3 | -52.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 42 | R | 46.1 | Very low | 46.9 | Very low | 213 Ų | 213 | 151 Ų | 151 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | | 162.4 | 112.1 | 86.1 | -165.2 | 162.6 | -168.6 | 153.6 | 3.5 | 110.2 | H44 | R42-H44 PolarHBondContact NE-NE2 3.29Š|
| 43 | S | 37.9 | Very low | 46.5 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -66 | 125.2 | 164.4 | 42.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 44 | H | 48.1 | Very low | 46.5 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -153.4 | 115.1 | 153.5 | -85 | -48.1 | 0 | 0 | 0 | 110.1 | R42 | R42-H44 PolarHBondContact NE-NE2 3.29Š|
| 45 | G | 44.1 | Very low | 46.7 | Very low | 85 Ų | 85 | 151.3 Ų | 151.3 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | 63.1 | 109.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 46 | G | 42.8 | Very low | 46.9 | Very low | 61 Ų | 61 | 147.5 Ų | 147.5 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | cis | 147.1 | 167.5 | 30.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 47 | H | 47.1 | Very low | 46.8 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | 84.1 | 105 | 166.3 | -57 | -75.6 | 0 | 0 | 0 | 117.6 | | |
| 48 | H | 46 | Very low | 46.9 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | 73.2 | 112.1 | 139.7 | -78.6 | -84.3 | 0 | 0 | 0 | 118.7 | | |
| 49 | G | 47.4 | Very low | 46.7 | Very low | 68 Ų | 68 | 145 Ų | 145 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | 145 | 95.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F51 | G49-F51 PolarHBondContact O-N 3.31Š|
| 50 | D | 47.9 | Very low | 46.6 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -36.3 | 127.1 | 171.3 | -54.4 | -76.4 | 0 | 0 | 0 | 111.7 | | |
| 51 | F | 49.2 | Very low | 46.4 | Very low | 215 Ų | 215 | 139.9 Ų | 139.9 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | | | trans | -177.7 | 117.9 | 136.2 | -87.6 | -62.6 | 0 | 0 | 0 | 108.9 | G49 | G49-F51 PolarHBondContact O-N 3.31Š|
| 52 | R | 50.8 | Low | 46.7 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -77.7 | 146.1 | -173.7 | -159 | 170.1 | 168.2 | -176 | -3.6 | 110.6 | | |
| 53 | P | 45.3 | Very low | 47.6 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | -99.9 | -153.4 | -172.1 | 38.1 | -26.1 | 0 | 0 | 0 | 111.1 | | |
| 54 | P | 49 | Very low | 48.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | | -121 | 152.2 | -60.9 | 30.2 | -12.2 | 0 | 0 | 0 | 112 | | |
| 55 | N | 48.7 | Very low | 49.6 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | | | trans | -175.7 | 117.5 | 159.6 | -101.8 | -16.5 | 0 | 0 | 0 | 106.4 | | |
| 56 | G | 45.4 | Very low | 50.4 | Low | 58 Ų | 58 | 139.3 Ų | 139.3 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | | | | 104.6 | 104.1 | 71.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 57 | H | 44.6 | Very low | 51.2 | Low | 186 Ų | 186 | 143 Ų | 143 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | 67.8 | 102.4 | 159.3 | -49.6 | -69.6 | 0 | 0 | 0 | 120.2 | | |
| 58 | R | 49.7 | Very low | 51.5 | Low | 257 Ų | 257 | 140.6 Ų | 140.6 | 97% | 0.97 | 78% | 0.783 | S | S | * | * | | | trans | 173.2 | 100.3 | 140.6 | -98 | 162.9 | -174.4 | 175.4 | 2.4 | 107.3 | | |
| 59 | G | 49.2 | Very low | 51.9 | Low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | | 98.3 | 132.6 | 80.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 60 | P | 42.3 | Very low | 52.4 | Low | 139 Ų | 139 | 145.7 Ų | 145.7 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -83.3 | 134.8 | -167.8 | 33.7 | -31.2 | 0 | 0 | 0 | 110.9 | | |
| 61 | G | 43.5 | Very low | 53.2 | Low | 59 Ų | 59 | 143.7 Ų | 143.7 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | 127.3 | 98.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 62 | H | 54.7 | Low | 53 | Low | 190 Ų | 190 | 140.3 Ų | 140.3 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | | | trans | -150.1 | 113.2 | 139.2 | -80.7 | -63.3 | 0 | 0 | 0 | 107.4 | | |
| 63 | P | 65.8 | Low | 52.6 | Low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 148.7 | 165.5 | 28.3 | -31.4 | 0 | 0 | 0 | 109.4 | | |
| 64 | P | 65.1 | Low | 52.6 | Low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 148.6 | 176.9 | 27 | -33.3 | 0 | 0 | 0 | 110.1 | T66 | P64-T66 PolarHBondContact O-N 3.02Å; P64-T66 VanDerWaalsContact O-N 3.11Å |
| 65 | P | 62 | Low | 52.6 | Low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 119.7 | -177.8 | 25.6 | -32.3 | 0 | 0 | 0 | 109.5 | L67 | P65-L67 PolarHBondContact O-N 2.96Å; P65-L67 VanDerWaalsContact O-N 3.14Å |
| 66 | T | 61.4 | Low | 52.6 | Low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 116.5 | 170.6 | -42 | 0 | 0 | 0 | 0 | 107.9 | P64 H68 | P64-T66 PolarHBondContact O-N 3.02Å; P64-T66 VanDerWaalsContact O-N 3.11Å; T66-H68 VanDerWaalsContact C-N 3.29Å; T66-H68 PolarHBondContact O-N 3.27Å |
| 67 | L | 59.2 | Low | 52.9 | Low | 140 Ų | 140 | 133.1 Ų | 133.1 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -65.7 | 90.7 | 173.9 | -124.6 | 155.3 | 0 | 0 | 0 | 107.8 | P65 F69 | P65-L67 PolarHBondContact O-N 2.96Å; P65-L67 VanDerWaalsContact O-N 3.14Å; L67-F69 HydrophobicContact CD2-CD2 4.48Å; L67-F69 HydrophobicContact CD2-CE2 4.02Å; L67-F69 HydrophobicContact CD2-CZ 4.32Å; L67-F69 PolarHBondContact O-N 3.34Å |
| 68 | H | 53.6 | Low | 53.9 | Low | 126 Ų | 126 | 129.8 Ų | 129.8 | 58% | 0.583 | 76% | 0.763 | S | S | * | * | | | trans | -73.1 | 104.5 | 174.1 | -105.2 | -103.9 | 0 | 0 | 0 | 108.6 | T66 Y70 | T66-H68 VanDerWaalsContact C-N 3.29Å; T66-H68 PolarHBondContact O-N 3.27Å; H68-Y70 HydrophobicContact CB-CD2 4.13Å; H68-Y70 HydrophobicContact CB-CE2 3.61Å; H68-Y70 AromaticContact ND1-CZ 3.88Å; H68-Y70 PolarHBondContact O-N 2.99Å |
| 69 | F | 55.1 | Low | 54.4 | Low | 182 Ų | 182 | 122.8 Ų | 122.8 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | | | trans | -76.1 | 105.2 | 165.3 | -80.8 | -89 | 0 | 0 | 0 | 108.5 | L67 | L67-F69 HydrophobicContact CD2-CD2 4.48Å; L67-F69 HydrophobicContact CD2-CE2 4.02Å; L67-F69 HydrophobicContact CD2-CZ 4.32Å; L67-F69 PolarHBondContact O-N 3.34Å |
| 70 | Y | 58.4 | Low | 54.5 | Low | 183 Ų | 183 | 128 Ų | 128 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | trans | -83.9 | 132 | 169.2 | -70.7 | -85.3 | 0 | 0 | 0 | 109.4 | H68 | H68-Y70 HydrophobicContact CB-CD2 4.13Å; H68-Y70 HydrophobicContact CB-CE2 3.61Å; H68-Y70 AromaticContact ND1-CZ 3.88Å; H68-Y70 PolarHBondContact O-N 2.99Å |
| 71 | P | 63.4 | Low | 55 | Low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -61.3 | 143 | 172.8 | 25.6 | -32.5 | 0 | 0 | 0 | 110 | G73 | P71-G73 PolarHBondContact O-N 3.32Š|
| 72 | P | 46.3 | Very low | 55.6 | Low | 143 Ų | 143 | 135.6 Ų | 135.6 | 93% | 0.929 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -73.1 | 96.2 | -177.5 | 28.2 | -30.4 | 0 | 0 | 0 | 109.2 | | |
| 73 | G | 42.8 | Very low | 55.7 | Low | 59 Ų | 59 | 132.7 Ų | 132.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | 165 | 66.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P71 | P71-G73 PolarHBondContact O-N 3.32Š|
| 74 | H | 45.7 | Very low | 55.1 | Low | 182 Ų | 182 | 130.1 Ų | 130.1 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | -175.2 | 122.5 | 144.5 | -105.9 | -69.3 | 0 | 0 | 0 | 108.7 | G76 | H74-G76 VanDerWaalsContact C-N 3.26Å; H74-G76 PolarHBondContact O-N 3.19Å |
| 75 | P | 48.9 | Very low | 54.8 | Low | 132 Ų | 132 | 131 Ų | 131 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -70 | 91.7 | 168.5 | 22.2 | -17.1 | 0 | 0 | 0 | 107.3 | S77 | P75-S77 PolarHBondContact O-N 3.38Š|
| 76 | G | 47.5 | Very low | 54.4 | Low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | H74 | H74-G76 VanDerWaalsContact C-N 3.26Å; H74-G76 PolarHBondContact O-N 3.19Å |
| 77 | S | 52 | Low | 54.3 | Low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 136.4 | 159.4 | -50.3 | 0 | 0 | 0 | 0 | 110 | P75 P79 | P75-S77 PolarHBondContact O-N 3.38Å; S77-P79 WeakPolarHBondContact O-CD 3.49Å |
| 78 | P | 65.2 | Low | 54 | Low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.2 | -177.2 | 25.1 | -30.9 | 0 | 0 | 0 | 109.9 | H80 | P78-H80 PolarHBondContact O-N 2.95Š|
| 79 | P | 59.8 | Low | 53.7 | Low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 127.2 | 168 | -11.9 | 27.7 | 0 | 0 | 0 | 108.4 | S77 H81 | S77-P79 WeakPolarHBondContact O-CD 3.49Å; P79-H81 PolarHBondContact O-N 3.45Å |
| 80 | H | 51.5 | Low | 53.7 | Low | 182 Ų | 182 | 126.4 Ų | 126.4 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | | | trans | -48.4 | 106 | 177.2 | -68.3 | -85.5 | 0 | 0 | 0 | 111.8 | P78 H82 | P78-H80 PolarHBondContact O-N 2.95Å; H80-H82 PolarHBondContact O-N 2.87Å; H80-H82 VanDerWaalsContact O-N 3.12Å |
| 81 | H | 54.2 | Low | 53.5 | Low | 183 Ų | 183 | 121.9 Ų | 121.9 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | | | trans | -71.8 | 103.6 | 166.4 | -85.1 | -72.1 | 0 | 0 | 0 | 108.5 | P79 | P79-H81 PolarHBondContact O-N 3.45Š|
| 82 | H | 54.8 | Low | 53.1 | Low | 173 Ų | 173 | 122.6 Ų | 122.6 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | | | trans | -52.6 | 128.7 | 160.3 | -82.9 | -86.8 | 0 | 0 | 0 | 108.8 | H80 G84 | H80-H82 PolarHBondContact O-N 2.87Å; H80-H82 VanDerWaalsContact O-N 3.12Å; H82-G84 PolarHBondContact O-N 3.46Å |
| 83 | P | 57.4 | Low | 53.2 | Low | 129 Ų | 129 | 123.4 Ų | 123.4 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | | | trans | -71.9 | 97.5 | 176.3 | 26 | -26.1 | 0 | 0 | 0 | 108.2 | | |
| 84 | G | 53 | Low | 53.7 | Low | 59 Ų | 59 | 127.8 Ų | 127.8 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | | | trans | -65 | 144.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | H82 N86 | H82-G84 PolarHBondContact O-N 3.46Å; G84-N86 PolarHBondContact O-N 2.83Å |
| 85 | P | 58 | Low | 53.9 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | -61.6 | 123.6 | -170.3 | 24.4 | -32.4 | 0 | 0 | 0 | 110.5 | P87 | P85-P87 VanDerWaalsContact O-CD 3.22Å; P85-P87 WeakPolarHBondContact O-CD 3.36Å; P85-P87 VanDerWaalsContact O-N 3.15Å |
| 86 | N | 53.6 | Low | 53.7 | Low | 114 Ų | 114 | 121.1 Ų | 121.1 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | | | trans | -52.7 | 112.3 | 176.3 | -176.7 | 1.3 | 0 | 0 | 0 | 110.4 | G84 H88 G89 | G84-N86 PolarHBondContact O-N 2.83Å; N86-H88 PolarHBondContact O-N 3.05Å; N86-H88 PolarHBondContact OD1-N 3.42Å; N86-G89 PolarHBondContact ND2-N 2.94Å; N86-G89 PolarHBondContact OD1-N 3.49Å |
| 87 | P | 59.8 | Low | 54 | Low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 2.2 | 178.3 | 32 | -33.3 | 0 | 0 | 0 | 112.9 | P85 | P85-P87 VanDerWaalsContact O-CD 3.22Å; P85-P87 WeakPolarHBondContact O-CD 3.36Å; P85-P87 VanDerWaalsContact O-N 3.15Å |
| 88 | H | 53.1 | Low | 54.1 | Low | 170 Ų | 170 | 123.2 Ų | 123.2 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | 15.9 | -178.2 | -64.7 | -64.5 | 0 | 0 | 0 | 113.8 | N86 | N86-H88 PolarHBondContact O-N 3.05Å; N86-H88 PolarHBondContact OD1-N 3.42Å |
| 89 | G | 46.9 | Very low | 53.6 | Low | 44 Ų | 44 | 123.2 Ų | 123.2 | 45% | 0.454 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -87.9 | 129.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N86 | N86-G89 PolarHBondContact ND2-N 2.94Å; N86-G89 PolarHBondContact OD1-N 3.49Å |
| 90 | L | 56 | Low | 53.1 | Low | 154 Ų | 154 | 126.2 Ų | 126.2 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | | | trans | -31.4 | 140.8 | 174.7 | -70.4 | 155.7 | 0 | 0 | 0 | 112.9 | P92 | L90-P92 WeakPolarHBondContact O-CD 3.34Å; L90-P92 VanDerWaalsContact O-N 3.12Å |
| 91 | P | 53.9 | Low | 53 | Low | 88 Ų | 88 | 122.1 Ų | 122.1 | 57% | 0.571 | 72% | 0.722 | S | S | * | * | | | trans | -55 | 127.2 | 167.9 | 25.5 | -31.1 | 0 | 0 | 0 | 106.8 | H93 | P91-H93 PolarHBondContact O-N 2.91Š|
| 92 | P | 54.5 | Low | 53.4 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | | | trans | -61.1 | 107.5 | 157.6 | 16.4 | -9.2 | 0 | 0 | 0 | 103.3 | L90 L94 | L90-P92 WeakPolarHBondContact O-CD 3.34Å; L90-P92 VanDerWaalsContact O-N 3.12Å; P92-L94 PolarHBondContact O-N 3.37Å; P92-L94 VanDerWaalsContact O-N 3.15Å |
| 93 | H | 49.5 | Very low | 53.6 | Low | 159 Ų | 159 | 115.2 Ų | 115.2 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | | | trans | -40.8 | 127.9 | 169.1 | -61.9 | -82.6 | 0 | 0 | 0 | 106.7 | P91 | P91-H93 PolarHBondContact O-N 2.91Š|
| 94 | L | 52.7 | Low | 53.5 | Low | 151 Ų | 151 | 118.3 Ų | 118.3 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -22.6 | 141.4 | 167.6 | -69 | 159.2 | 0 | 0 | 0 | 111.1 | P92 G96 | P92-L94 PolarHBondContact O-N 3.37Å; P92-L94 VanDerWaalsContact O-N 3.15Å; L94-G96 PolarHBondContact O-N 3.42Å |
| 95 | P | 50.4 | Low | 53.4 | Low | 117 Ų | 117 | 123.6 Ų | 123.6 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | | | trans | -43.9 | 111.2 | -177.5 | 20.5 | -31.5 | 0 | 0 | 0 | 107.3 | | |
| 96 | G | 44.8 | Very low | 53.3 | Low | 57 Ų | 57 | 126 Ų | 126 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | | | trans | -47 | 136.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | L94 V98 | L94-G96 PolarHBondContact O-N 3.42Å; G96-V98 PolarHBondContact O-N 2.91Å |
| 97 | P | 52.9 | Low | 53.1 | Low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | trans | -45.1 | 120.6 | -164.6 | 18.4 | -31.4 | 0 | 0 | 0 | 108.1 | | |
| 98 | V | 54.5 | Low | 52.6 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | trans | -35.9 | 122 | 164 | 169.1 | 0 | 0 | 0 | 0 | 105.2 | G96 H100 | G96-V98 PolarHBondContact O-N 2.91Å; V98-H100 PolarHBondContact O-N 3.43Å |
| 99 | P | 54.5 | Low | 52.7 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | | | trans | -54 | 113.4 | 177.7 | 21.6 | -29.7 | 0 | 0 | 0 | 104.4 | S101 | P99-S101 VanDerWaalsContact C-N 3.32Å; P99-S101 PolarHBondContact O-N 3.48Å |
| 100 | H | 49.7 | Very low | 52.9 | Low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | trans | -49.2 | 107.1 | -175.5 | -83.9 | -80.1 | 0 | 0 | 0 | 106 | V98 | V98-H100 PolarHBondContact O-N 3.43Š|
| 101 | S | 49.7 | Very low | 52.6 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 129.5 | 167.9 | -56.6 | 0 | 0 | 0 | 0 | 105.1 | P99 | P99-S101 VanDerWaalsContact C-N 3.32Å; P99-S101 PolarHBondContact O-N 3.48Å |
| 102 | P | 60.9 | Low | 52.6 | Low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.7 | -175 | 21.1 | -31 | 0 | 0 | 0 | 108.7 | H104 | P102-H104 PolarHBondContact O-N 2.93Š|
| 103 | P | 59.1 | Low | 52.6 | Low | 101 Ų | 101 | 129.7 Ų | 129.7 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 132.9 | -178.8 | 23.3 | -31.4 | 0 | 0 | 0 | 108.4 | H105 | P103-H105 VanDerWaalsContact C-N 3.35Å; P103-H105 PolarHBondContact O-N 3.28Å |
| 104 | H | 55.7 | Low | 52.8 | Low | 193 Ų | 193 | 132.1 Ų | 132.1 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | | | trans | -53.5 | 102.2 | 167.2 | -79.2 | -80.5 | 0 | 0 | 0 | 108.6 | P102 | P102-H104 PolarHBondContact O-N 2.93Š|
| 105 | H | 51.8 | Low | 52.8 | Low | 170 Ų | 170 | 131.2 Ų | 131.2 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | | | trans | -115.7 | 98.4 | 164.6 | -90.9 | -45.4 | 0 | 0 | 0 | 108.4 | P103 | P103-H105 VanDerWaalsContact C-N 3.35Å; P103-H105 PolarHBondContact O-N 3.28Å |
| 106 | H | 55.4 | Low | 52.9 | Low | 180 Ų | 180 | 131.9 Ų | 131.9 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | | | trans | -122.4 | 145.5 | 157.5 | -102.3 | -82.9 | 0 | 0 | 0 | 106.6 | | |
| 107 | P | 49.9 | Very low | 53.3 | Low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | cis | -109.7 | 119.9 | -43.5 | 30 | -14.4 | 0 | 0 | 0 | 108.9 | H109 | P107-H109 PolarHBondContact O-N 3.48Š|
| 108 | G | 48.5 | Very low | 53.4 | Low | 78 Ų | 78 | 137.4 Ų | 137.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -77.2 | 113.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109 | G110 | G108-G110 PolarHBondContact O-N 3.35Š|
| 109 | H | 55.1 | Low | 53.3 | Low | 196 Ų | 196 | 139.4 Ų | 139.4 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | | | trans | -52.7 | 99.8 | 162.4 | -85.5 | -90.7 | 0 | 0 | 0 | 109.3 | P107 | P107-H109 PolarHBondContact O-N 3.48Š|
| 110 | G | 50.7 | Low | 53.2 | Low | 72 Ų | 72 | 141.1 Ų | 141.1 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | trans | -94.7 | 116.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G108 | G108-G110 PolarHBondContact O-N 3.35Š|
| 111 | L | 50.3 | Low | 53.5 | Low | 174 Ų | 174 | 138.8 Ų | 138.8 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -62 | 133 | 170.8 | -71.2 | 156.6 | 0 | 0 | 0 | 110.8 | | |
| 112 | H | 54.1 | Low | 53.8 | Low | 192 Ų | 192 | 142.1 Ų | 142.1 | 89% | 0.889 | 84% | 0.835 | S | S | * | * | | | trans | -145.7 | 97.5 | 162.3 | -130 | -106.1 | 0 | 0 | 0 | 102.4 | | |
| 113 | G | 54.8 | Low | 53.2 | Low | 63 Ų | 63 | 144.8 Ų | 144.8 | 65% | 0.649 | 85% | 0.845 | S | S | * | * | | | | 70.4 | 126.9 | 77.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 114 | P | 52.8 | Low | 52.6 | Low | 209 Ų | 209 | 148.7 Ų | 148.7 | 100% | 1.357 | 86% | 0.862 | S | S | * | * | | | cis | -93.3 | 0 | 6.2 | 37.3 | -35 | 0 | 0 | 0 | 115.8 | | |