| 1 | M | 64.6 | Low | 82.3 | Confident | 211 Ų | 211 | 136.5 Ų | 136.5 | 100% | 1.039 | 63% | 0.631 | S | S | * | * | | | | 0 | -33.9 | 0 | -81.4 | -175.4 | 167.7 | 0 | 0 | 114 | N3 Y4 | M1-N3 PolarHBondContact O-N 3.08Å; M1-Y4 PolarHBondContact O-N 3.25Å |
| 2 | M | 76.1 | Confident | 82.8 | Confident | 142 Ų | 142 | 133.7 Ų | 133.7 | 70% | 0.7 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.1 | -31.1 | -173.8 | -70.6 | -51.4 | -176.5 | 0 | 0 | 116.6 | Y4 L5 | M2-Y4 VanDerWaalsContact C-N 3.26Å; M2-Y4 PolarHBondContact O-N 3.48Å; M2-L5 PolarHBondContact O-N 3.48Å; M2-L5 HydrophobicContact SD-CD1 3.93Å |
| 3 | N | 77.5 | Confident | 83.4 | Confident | 120 Ų | 120 | 135.1 Ų | 135.1 | 64% | 0.642 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63 | -29.8 | -179.3 | -68.3 | -15.1 | 0 | 0 | 0 | 113.6 | M1 I6 I7 | M1-N3 PolarHBondContact O-N 3.08Å; N3-I6 PolarHBondContact O-N 3.49Å; N3-I7 WeakPolarHBondContact O-CG1 3Å; N3-I7 PolarHBondContact O-N 3.25Å; N3-I7 VanDerWaalsContact O-N 3.15Å |
| 4 | Y | 83.8 | Confident | 83.9 | Confident | 169 Ų | 169 | 133.9 Ų | 133.9 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.8 | -35.4 | -179.9 | -71.2 | -77.9 | 0 | 0 | 0 | 112.5 | M1 M2 I6 I7 I8 | M1-Y4 PolarHBondContact O-N 3.25Å; M2-Y4 VanDerWaalsContact C-N 3.26Å; M2-Y4 PolarHBondContact O-N 3.48Å; Y4-I6 VanDerWaalsContact C-N 3.3Å; Y4-I6 PolarHBondContact O-N 3.46Å; Y4-I7 PolarHBondContact O-N 3.42Å; Y4-I8 WeakPolarHBondContact O-CD1 3.04Å; Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.28Å |
| 5 | L | 82.8 | Confident | 84.4 | Confident | 111 Ų | 111 | 129.8 Ų | 129.8 | 58% | 0.581 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.1 | -38.7 | 176.4 | -66.1 | 176.2 | 0 | 0 | 0 | 111.4 | M2 I8 W9 | M2-L5 PolarHBondContact O-N 3.48Å; M2-L5 HydrophobicContact SD-CD1 3.93Å; L5-I8 PolarHBondContact O-N 3.2Å; L5-W9 WeakPolarHBondContact O-CB 3.34Å; L5-W9 PolarHBondContact O-N 3.44Å |
| 6 | I | 85.1 | Confident | 84.8 | Confident | 89 Ų | 89 | 129.8 Ų | 129.8 | 46% | 0.456 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.1 | -45.7 | 177.2 | -63.3 | 168.6 | 0 | 0 | 0 | 110.1 | N3 Y4 W9 Y10 | N3-I6 PolarHBondContact O-N 3.49Å; Y4-I6 VanDerWaalsContact C-N 3.3Å; Y4-I6 PolarHBondContact O-N 3.46Å; I6-W9 WeakPolarHBondContact O-CB 3.37Å; I6-W9 PolarHBondContact O-N 2.71Å; I6-Y10 HydrophobicContact CG2-CD2 3.67Å; I6-Y10 HydrophobicContact CG2-CE2 3.4Å; I6-Y10 WeakPolarHBondContact O-CD2 3.11Å; I6-Y10 PolarHBondContact O-N 3.07Å |
| 7 | I | 84.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 129.4 Ų | 129.4 | 43% | 0.426 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.8 | -48.6 | 178.7 | -65.1 | 163.2 | 0 | 0 | 0 | 110.5 | N3 Y4 W9 Y10 F11 | N3-I7 WeakPolarHBondContact O-CG1 3Å; N3-I7 PolarHBondContact O-N 3.25Å; N3-I7 VanDerWaalsContact O-N 3.15Å; Y4-I7 PolarHBondContact O-N 3.42Å; I7-W9 VanDerWaalsContact C-N 3.3Å; I7-W9 PolarHBondContact O-N 3.47Å; I7-Y10 PolarHBondContact O-N 2.99Å; I7-Y10 VanDerWaalsContact O-N 3.14Å; I7-F11 HydrophobicContact CG2-CD2 3.79Å; I7-F11 HydrophobicContact CG2-CE2 3.68Å; I7-F11 VanDerWaalsContact O-CD2 3.32Å; I7-F11 WeakPolarHBondContact O-CD2 3.17Å; I7-F11 PolarHBondContact O-N 3.3Å |
| 8 | I | 86 | Confident | 85.7 | Confident | 106 Ų | 106 | 130.6 Ų | 130.6 | 54% | 0.544 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -59.6 | -42.3 | 177.9 | -66.6 | 161.3 | 0 | 0 | 0 | 110.9 | Y4 L5 Y10 F11 V12 | Y4-I8 WeakPolarHBondContact O-CD1 3.04Å; Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.28Å; L5-I8 PolarHBondContact O-N 3.2Å; I8-Y10 VanDerWaalsContact C-N 3.34Å; I8-Y10 PolarHBondContact O-N 3.49Å; I8-F11 PolarHBondContact O-N 3.42Å; I8-V12 PolarHBondContact O-N 3.29Å |
| 9 | W | 86 | Confident | 86 | Confident | 161 Ų | 161 | 128.1 Ų | 128.1 | 61% | 0.61 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.8 | -42 | 175.9 | -178.1 | -97.4 | 0 | 0 | 0 | 112.5 | L5 I6 I7 V12 R13 | L5-W9 WeakPolarHBondContact O-CB 3.34Å; L5-W9 PolarHBondContact O-N 3.44Å; I6-W9 WeakPolarHBondContact O-CB 3.37Å; I6-W9 PolarHBondContact O-N 2.71Å; I7-W9 VanDerWaalsContact C-N 3.3Å; I7-W9 PolarHBondContact O-N 3.47Å; W9-V12 PolarHBondContact O-N 2.98Å; W9-R13 VanDerWaalsContact O-CB 3.29Å; W9-R13 WeakPolarHBondContact O-CB 3.11Å; W9-R13 PolarHBondContact O-N 2.98Å |
| 10 | Y | 89.5 | Confident | 86.2 | Confident | 152 Ų | 152 | 126.6 Ų | 126.6 | 60% | 0.596 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 175.1 | -83.2 | -70.1 | 0 | 0 | 0 | 112.7 | I6 I7 I8 V12 R13 L14 | I6-Y10 HydrophobicContact CG2-CD2 3.67Å; I6-Y10 HydrophobicContact CG2-CE2 3.4Å; I6-Y10 WeakPolarHBondContact O-CD2 3.11Å; I6-Y10 PolarHBondContact O-N 3.07Å; I7-Y10 PolarHBondContact O-N 2.99Å; I7-Y10 VanDerWaalsContact O-N 3.14Å; I8-Y10 VanDerWaalsContact C-N 3.34Å; I8-Y10 PolarHBondContact O-N 3.49Å; Y10-V12 PolarHBondContact O-N 3.5Å; Y10-R13 PolarHBondContact O-N 2.94Å; Y10-L14 WeakPolarHBondContact O-CB 3.42Å; Y10-L14 PolarHBondContact O-N 3.44Å |
| 11 | F | 89 | Confident | 86.4 | Confident | 157 Ų | 157 | 124.8 Ų | 124.8 | 69% | 0.689 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.3 | -31.6 | 178.2 | -91.2 | -80 | 0 | 0 | 0 | 113.2 | I7 I8 P15 | I7-F11 HydrophobicContact CG2-CD2 3.79Å; I7-F11 HydrophobicContact CG2-CE2 3.68Å; I7-F11 VanDerWaalsContact O-CD2 3.32Å; I7-F11 WeakPolarHBondContact O-CD2 3.17Å; I7-F11 PolarHBondContact O-N 3.3Å; I8-F11 PolarHBondContact O-N 3.42Å; F11-P15 WeakPolarHBondContact O-CD 3.37Å; F11-P15 VanDerWaalsContact O-CG 3.32Å; F11-P15 WeakPolarHBondContact O-CG 3.33Å |
| 12 | V | 88.5 | Confident | 87.5 | Confident | 103 Ų | 103 | 119.3 Ų | 119.3 | 62% | 0.624 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.3 | -40.7 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | I8 W9 Y10 P15 | I8-V12 PolarHBondContact O-N 3.29Å; W9-V12 PolarHBondContact O-N 2.98Å; Y10-V12 PolarHBondContact O-N 3.5Å; V12-P15 WeakPolarHBondContact O-CD 3.39Å; V12-P15 WeakPolarHBondContact O-CG 3.44Å |
| 13 | R | 90.3 | Very high | 88 | Confident | 152 Ų | 152 | 116.5 Ų | 116.5 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -77.1 | -32.7 | -173.6 | -165 | 171 | -179.9 | 111 | -2.6 | 113.5 | W9 Y10 F17 | W9-R13 VanDerWaalsContact O-CB 3.29Å; W9-R13 WeakPolarHBondContact O-CB 3.11Å; W9-R13 PolarHBondContact O-N 2.98Å; Y10-R13 PolarHBondContact O-N 2.94Å; R13-F17 VanDerWaalsContact O-CB 3.31Å; R13-F17 WeakPolarHBondContact O-CB 3.22Å; R13-F17 PolarHBondContact O-N 3.45Å |
| 14 | L | 90.2 | Very high | 88.4 | Confident | 119 Ų | 119 | 114.5 Ų | 114.5 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -49.9 | -178.7 | -170 | 68.5 | 0 | 0 | 0 | 113.7 | Y10 L16 F17 Y18 | Y10-L14 WeakPolarHBondContact O-CB 3.42Å; Y10-L14 PolarHBondContact O-N 3.44Å; L14-L16 PolarHBondContact O-N 3.27Å; L14-F17 PolarHBondContact O-N 2.98Å; L14-Y18 WeakPolarHBondContact O-CB 3.31Å; L14-Y18 PolarHBondContact O-N 2.93Å |
| 15 | P | 91.8 | Very high | 88.2 | Confident | 72 Ų | 72 | 109.6 Ų | 109.6 | 47% | 0.468 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 177.6 | 24.8 | -33.9 | 0 | 0 | 0 | 112.3 | F11 V12 F17 Y18 V19 | F11-P15 WeakPolarHBondContact O-CD 3.37Å; F11-P15 VanDerWaalsContact O-CG 3.32Å; F11-P15 WeakPolarHBondContact O-CG 3.33Å; V12-P15 WeakPolarHBondContact O-CD 3.39Å; V12-P15 WeakPolarHBondContact O-CG 3.44Å; P15-F17 PolarHBondContact O-N 3.36Å; P15-Y18 PolarHBondContact O-N 3.42Å; P15-V19 WeakPolarHBondContact O-CG2 3.42Å; P15-V19 PolarHBondContact O-N 3.21Å |
| 16 | L | 90.2 | Very high | 87.9 | Confident | 129 Ų | 129 | 107 Ų | 107 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 175.7 | -172.5 | 70 | 0 | 0 | 0 | 111.4 | L14 Y18 V19 L20 | L14-L16 PolarHBondContact O-N 3.27Å; L16-Y18 VanDerWaalsContact C-N 3.35Å; L16-V19 PolarHBondContact O-N 3.38Å; L16-L20 PolarHBondContact O-N 2.93Å |
| 17 | F | 92.9 | Very high | 87.3 | Confident | 124 Ų | 124 | 109 Ų | 109 | 54% | 0.544 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.9 | -175.9 | -100.8 | 0 | 0 | 0 | 112 | R13 L14 P15 L20 L21 | R13-F17 VanDerWaalsContact O-CB 3.31Å; R13-F17 WeakPolarHBondContact O-CB 3.22Å; R13-F17 PolarHBondContact O-N 3.45Å; L14-F17 PolarHBondContact O-N 2.98Å; P15-F17 PolarHBondContact O-N 3.36Å; F17-L20 PolarHBondContact O-N 2.91Å; F17-L21 HydrophobicContact CE1-CD2 4.46Å; F17-L21 WeakPolarHBondContact O-CB 3.29Å; F17-L21 PolarHBondContact O-N 3.16Å |
| 18 | Y | 93 | Very high | 86.6 | Confident | 151 Ų | 151 | 111 Ų | 111 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.5 | -46.9 | 176.3 | -179.3 | -95.4 | 0 | 0 | 0 | 112.2 | L14 P15 L16 L20 L21 Q22 | L14-Y18 WeakPolarHBondContact O-CB 3.31Å; L14-Y18 PolarHBondContact O-N 2.93Å; P15-Y18 PolarHBondContact O-N 3.42Å; L16-Y18 VanDerWaalsContact C-N 3.35Å; Y18-L20 VanDerWaalsContact C-N 3.34Å; Y18-L20 PolarHBondContact O-N 2.95Å; Y18-L21 PolarHBondContact O-N 2.95Å; Y18-Q22 PolarHBondContact O-N 3.27Å |
| 19 | V | 91.7 | Very high | 85.8 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | P15 L16 L21 Q22 N23 | P15-V19 WeakPolarHBondContact O-CG2 3.42Å; P15-V19 PolarHBondContact O-N 3.21Å; L16-V19 PolarHBondContact O-N 3.38Å; V19-L21 PolarHBondContact O-N 3.07Å; V19-Q22 PolarHBondContact O-N 3.34Å; V19-N23 PolarHBondContact O-N 3.49Å |
| 20 | L | 91.1 | Very high | 84.7 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.2 | -175.6 | 66.3 | 0 | 0 | 0 | 111.6 | L16 F17 Y18 Q22 N23 I24 | L16-L20 PolarHBondContact O-N 2.93Å; F17-L20 PolarHBondContact O-N 2.91Å; Y18-L20 VanDerWaalsContact C-N 3.34Å; Y18-L20 PolarHBondContact O-N 2.95Å; L20-Q22 VanDerWaalsContact C-N 3.35Å; L20-Q22 PolarHBondContact O-N 3.33Å; L20-N23 PolarHBondContact O-N 3.5Å; L20-I24 HydrophobicContact CD1-CD1 4.46Å; L20-I24 HydrophobicContact CG-CD1 4.09Å; L20-I24 WeakPolarHBondContact O-CG1 3.32Å; L20-I24 PolarHBondContact O-N 2.8Å |
| 21 | L | 89.9 | Confident | 83.4 | Confident | 88 Ų | 88 | 108.5 Ų | 108.5 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 179.3 | -165.5 | 66.7 | 0 | 0 | 0 | 112.2 | F17 Y18 V19 I24 S25 | F17-L21 HydrophobicContact CE1-CD2 4.46Å; F17-L21 WeakPolarHBondContact O-CB 3.29Å; F17-L21 PolarHBondContact O-N 3.16Å; Y18-L21 PolarHBondContact O-N 2.95Å; V19-L21 PolarHBondContact O-N 3.07Å; L21-I24 PolarHBondContact O-N 3.48Å; L21-S25 WeakPolarHBondContact O-CB 3Å; L21-S25 PolarHBondContact O-N 2.94Å; L21-S25 PolarHBondContact O-OG 3.44Å |
| 22 | Q | 87.6 | Confident | 81.8 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 174 | -173.2 | 61.8 | 57.5 | 0 | 0 | 111.4 | Y18 V19 L20 S25 N26 | Y18-Q22 PolarHBondContact O-N 3.27Å; V19-Q22 PolarHBondContact O-N 3.34Å; L20-Q22 VanDerWaalsContact C-N 3.35Å; L20-Q22 PolarHBondContact O-N 3.33Å; Q22-S25 PolarHBondContact O-N 3.39Å; Q22-N26 WeakPolarHBondContact O-CB 3.48Å; Q22-N26 PolarHBondContact O-N 2.85Å |
| 23 | N | 86 | Confident | 80.3 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 176 | -78.4 | -22.1 | 0 | 0 | 0 | 111.7 | V19 L20 S25 N26 L27 | V19-N23 PolarHBondContact O-N 3.49Å; L20-N23 PolarHBondContact O-N 3.5Å; N23-S25 VanDerWaalsContact C-N 3.33Å; N23-S25 PolarHBondContact O-N 2.98Å; N23-N26 WeakPolarHBondContact O-CB 3.43Å; N23-N26 PolarHBondContact O-N 3.22Å; N23-N26 VanDerWaalsContact O-N 3.16Å; N23-L27 WeakPolarHBondContact O-CD1 3.13Å; N23-L27 PolarHBondContact O-N 2.93Å |
| 24 | I | 85.4 | Confident | 78.6 | Confident | 79 Ų | 79 | 102.4 Ų | 102.4 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.3 | -65.2 | 164.6 | 0 | 0 | 0 | 110.6 | L20 L21 N26 L27 N28 | L20-I24 HydrophobicContact CD1-CD1 4.46Å; L20-I24 HydrophobicContact CG-CD1 4.09Å; L20-I24 WeakPolarHBondContact O-CG1 3.32Å; L20-I24 PolarHBondContact O-N 2.8Å; L21-I24 PolarHBondContact O-N 3.48Å; I24-N26 VanDerWaalsContact C-N 3.27Å; I24-N26 PolarHBondContact O-N 3.46Å; I24-L27 PolarHBondContact O-N 3.01Å; I24-N28 WeakPolarHBondContact O-CB 3.43Å; I24-N28 VanDerWaalsContact O-CG 3.29Å; I24-N28 PolarHBondContact O-N 3.29Å |
| 25 | S | 81 | Confident | 76.9 | Confident | 65 Ų | 65 | 102.3 Ų | 102.3 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 176 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | L21 Q22 N23 N28 D29 | L21-S25 WeakPolarHBondContact O-CB 3Å; L21-S25 PolarHBondContact O-N 2.94Å; L21-S25 PolarHBondContact O-OG 3.44Å; Q22-S25 PolarHBondContact O-N 3.39Å; N23-S25 VanDerWaalsContact C-N 3.33Å; N23-S25 PolarHBondContact O-N 2.98Å; S25-N28 PolarHBondContact O-N 2.97Å; S25-D29 PolarHBondContact O-N 3.43Å |
| 26 | N | 76.8 | Confident | 75.3 | Confident | 57 Ų | 57 | 104.4 Ų | 104.4 | 31% | 0.305 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.8 | -35.2 | 178.7 | -166.4 | 9.1 | 0 | 0 | 0 | 112.4 | Q22 N23 I24 K32 | Q22-N26 WeakPolarHBondContact O-CB 3.48Å; Q22-N26 PolarHBondContact O-N 2.85Å; N23-N26 WeakPolarHBondContact O-CB 3.43Å; N23-N26 PolarHBondContact O-N 3.22Å; N23-N26 VanDerWaalsContact O-N 3.16Å; I24-N26 VanDerWaalsContact C-N 3.27Å; I24-N26 PolarHBondContact O-N 3.46Å; N26-K32 WeakPolarHBondContact OD1-CD 3.34Å; N26-K32 WeakPolarHBondContact OD1-CE 3.32Å; N26-K32 PolarHBondContact OD1-NZ 3.26Å |
| 27 | L | 72.7 | Confident | 73.6 | Confident | 132 Ų | 132 | 105.9 Ų | 105.9 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.8 | -36.5 | 172.9 | -92.6 | 75.1 | 0 | 0 | 0 | 112.2 | N23 I24 D29 | N23-L27 WeakPolarHBondContact O-CD1 3.13Å; N23-L27 PolarHBondContact O-N 2.93Å; I24-L27 PolarHBondContact O-N 3.01Å; L27-D29 VanDerWaalsContact C-N 3.25Å; L27-D29 PolarHBondContact O-N 3.14Å |
| 28 | N | 68.4 | Low | 71.8 | Confident | 123 Ų | 123 | 105.5 Ų | 105.5 | 66% | 0.658 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -79.2 | -6 | -179.7 | -72.4 | -9.7 | 0 | 0 | 0 | 113.3 | I24 S25 P30 | I24-N28 WeakPolarHBondContact O-CB 3.43Å; I24-N28 VanDerWaalsContact O-CG 3.29Å; I24-N28 PolarHBondContact O-N 3.29Å; S25-N28 PolarHBondContact O-N 2.97Å; N28-P30 WeakPolarHBondContact O-CD 3.16Å |
| 29 | D | 69.1 | Low | 69.9 | Low | 63 Ų | 63 | 105.4 Ų | 105.4 | 34% | 0.337 | 53% | 0.534 | S | S | . | . | | | trans | -70.8 | 107.1 | 173 | -168.1 | -22.2 | 0 | 0 | 0 | 108.9 | S25 L27 R31 K32 A33 | S25-D29 PolarHBondContact O-N 3.43Å; L27-D29 VanDerWaalsContact C-N 3.25Å; L27-D29 PolarHBondContact O-N 3.14Å; D29-R31 PolarHBondContact O-N 3.38Å; D29-R31 WeakPolarHBondContact OD1-CB 3.48Å; D29-R31 PolarHBondContact OD1-N 3.27Å; D29-K32 PolarHBondContact O-N 2.95Å; D29-A33 PolarHBondContact O-N 3.01Å |
| 30 | P | 64.5 | Low | 68.1 | Low | 102 Ų | 102 | 108.9 Ų | 108.9 | 66% | 0.662 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -16.6 | -176.5 | 27.8 | -35.7 | 0 | 0 | 0 | 112.3 | N28 | N28-P30 WeakPolarHBondContact O-CD 3.16Å |
| 31 | R | 61.8 | Low | 66.3 | Low | 203 Ų | 203 | 109.7 Ų | 109.7 | 77% | 0.766 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.2 | -26.5 | 176.1 | -64.6 | -178.6 | 173 | -179.9 | -1.6 | 113 | D29 | D29-R31 PolarHBondContact O-N 3.38Å; D29-R31 WeakPolarHBondContact OD1-CB 3.48Å; D29-R31 PolarHBondContact OD1-N 3.27Å |
| 32 | K | 55.8 | Low | 64.4 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -88.1 | -31.3 | 176.9 | -68.7 | -169.1 | 179.5 | -164.6 | 0 | 113.2 | N26 D29 K34 L35 | N26-K32 WeakPolarHBondContact OD1-CD 3.34Å; N26-K32 WeakPolarHBondContact OD1-CE 3.32Å; N26-K32 PolarHBondContact OD1-NZ 3.26Å; D29-K32 PolarHBondContact O-N 2.95Å; K32-K34 PolarHBondContact O-N 3.48Å; K32-L35 PolarHBondContact O-N 3.03Å |
| 33 | A | 56.6 | Low | 62.7 | Low | 50 Ų | 50 | 111.3 Ų | 111.3 | 41% | 0.413 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.2 | -25.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | D29 | D29-A33 PolarHBondContact O-N 3.01Å |
| 34 | K | 54.4 | Low | 61 | Low | 133 Ų | 133 | 110.6 Ų | 110.6 | 58% | 0.578 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.2 | -34.7 | 177.3 | -161 | 177.3 | 179 | -169 | 0 | 113.2 | K32 K37 E38 | K32-K34 PolarHBondContact O-N 3.48Å; K34-K37 PolarHBondContact O-N 3.23Å; K34-E38 WeakPolarHBondContact CE-OE1 3.32Å; K34-E38 PolarHBondContact O-N 3.25Å |
| 35 | L | 55.2 | Low | 59.3 | Low | 116 Ų | 116 | 113 Ų | 113 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.9 | -39.1 | 178.9 | -92.5 | 151.4 | 0 | 0 | 0 | 112.9 | K32 K37 E38 E39 | K32-L35 PolarHBondContact O-N 3.03Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.27Å; L35-E38 PolarHBondContact O-N 3.29Å; L35-E39 PolarHBondContact O-N 3.32Å |
| 36 | I | 56.3 | Low | 57.8 | Low | 116 Ų | 116 | 117 Ų | 117 | 60% | 0.595 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.1 | -30.6 | 179.9 | -58.4 | 171.5 | 0 | 0 | 0 | 111.3 | E40 | I36-E40 PolarHBondContact O-N 3.45Å |
| 37 | K | 55.6 | Low | 56.6 | Low | 160 Ų | 160 | 122.4 Ų | 122.4 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.9 | -29.9 | 178.1 | -74.1 | -174 | 177.6 | -174.8 | 0 | 113.9 | K34 L35 T41 | K34-K37 PolarHBondContact O-N 3.23Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.27Å; K37-T41 PolarHBondContact O-OG1 3.34Å; K37-T41 VanDerWaalsContact O-OG1 3.08Å |
| 38 | E | 53.9 | Low | 55.6 | Low | 116 Ų | 116 | 122.3 Ų | 122.3 | 54% | 0.542 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -80.1 | -28.8 | 176.9 | -82.5 | 172.7 | -174.7 | 0 | 0 | 112.2 | K34 L35 | K34-E38 WeakPolarHBondContact CE-OE1 3.32Å; K34-E38 PolarHBondContact O-N 3.25Å; L35-E38 PolarHBondContact O-N 3.29Å |
| 39 | E | 53.9 | Low | 54.5 | Low | 149 Ų | 149 | 123 Ų | 123 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.6 | -30.4 | 179.6 | -162.7 | 171.4 | 177.4 | 0 | 0 | 113 | L35 | L35-E39 PolarHBondContact O-N 3.32Å |
| 40 | E | 54.9 | Low | 53.5 | Low | 155 Ų | 155 | 128.2 Ų | 128.2 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -77 | -25.7 | -178.4 | -146.2 | 170.8 | -163.5 | 0 | 0 | 113.4 | I36 | I36-E40 PolarHBondContact O-N 3.45Å |
| 41 | T | 53.3 | Low | 53 | Low | 116 Ų | 116 | 128.7 Ų | 128.7 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -7 | 178.3 | 29.4 | 0 | 0 | 0 | 0 | 115.5 | K37 | K37-T41 PolarHBondContact O-OG1 3.34Å; K37-T41 VanDerWaalsContact O-OG1 3.08Å |
| 42 | S | 49.4 | Very low | 52.3 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -99.3 | -8.6 | -175 | -159.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 43 | S | 51.8 | Low | 52.2 | Low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -107 | -11.2 | -172.8 | -174.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 44 | A | 51.4 | Low | 52 | Low | 68 Ų | 68 | 133.8 Ų | 133.8 | 56% | 0.562 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -105.5 | 110.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 45 | T | 48.4 | Very low | 51.9 | Low | 130 Ų | 130 | 135.6 Ų | 135.6 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | trans | 68.6 | 74.2 | 154.1 | 45.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 46 | T | 49.6 | Very low | 51.3 | Low | 148 Ų | 148 | 139.1 Ų | 139.1 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | | | trans | -96.9 | 71.2 | 150.3 | -48.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 47 | E | 52 | Low | 51 | Low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -139 | 139.4 | 166.7 | -73.5 | -171.2 | 162.7 | 0 | 0 | 107.9 | | |
| 48 | T | 51.1 | Low | 50.6 | Low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 95.5 | 97.2 | 168.5 | -16.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 49 | D | 45.4 | Very low | 50 | Low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | trans | 30.5 | 113.9 | 135.2 | -69.3 | -35.9 | 0 | 0 | 0 | 120 | | |
| 50 | N | 49.3 | Very low | 49.7 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | | | trans | -141.3 | 87.9 | 142.5 | -116.2 | -5.3 | 0 | 0 | 0 | 110 | | |
| 51 | T | 53.9 | Low | 49.7 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | | | trans | -62.2 | 136.9 | 158.4 | 45.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 52 | T | 45.9 | Very low | 49.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | 92.1 | 80.3 | 156.9 | -25.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 53 | N | 53.4 | Low | 49.7 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | | 176.4 | 150.9 | 123.4 | -92.4 | -14.9 | 0 | 0 | 0 | 109.2 | | |
| 54 | E | 52.8 | Low | 49.6 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | 85.4 | 60.6 | 173.8 | -50.5 | -170.5 | 162.9 | 0 | 0 | 116 | K56 | E54-K56 PolarHBondContact O-N 3.15Š|
| 55 | L | 51.7 | Low | 49.6 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -60.8 | 127.9 | 146.9 | -147.3 | 97.8 | 0 | 0 | 0 | 108.5 | | |
| 56 | K | 43.9 | Very low | 49.8 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 86.4 | 98.3 | 155.1 | -160.1 | -179.5 | -173.5 | -178.5 | 0 | 116.7 | E54 | E54-K56 PolarHBondContact O-N 3.15Š|
| 57 | V | 50.6 | Low | 49.9 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | | -171.9 | 121 | 114.1 | 166.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 58 | T | 45.6 | Very low | 49.8 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | | | trans | -58 | 151.4 | 171 | 35.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 59 | T | 41.9 | Very low | 50.1 | Low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 63.3 | 106.5 | 148.6 | 44.9 | 0 | 0 | 0 | 0 | 118 | | |
| 60 | N | 48.2 | Very low | 50.6 | Low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | 179.4 | 100.6 | 146.2 | -83.5 | -22.7 | 0 | 0 | 0 | 104.6 | | |
| 61 | E | 53.8 | Low | 51 | Low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | | 179.1 | 85.8 | 104.3 | -81.1 | 159.6 | -165.8 | 0 | 0 | 105.2 | | |
| 62 | T | 53.9 | Low | 50.9 | Low | 89 Ų | 89 | 144.4 Ų | 144.4 | 55% | 0.546 | 78% | 0.78 | S | S | . | * | | | cis | 55.7 | 36.4 | 44.1 | 36.3 | 0 | 0 | 0 | 0 | 116.1 | L66 | T62-L66 WeakPolarHBondContact O-CD1 3.35Š|
| 63 | E | 49 | Very low | 50.8 | Low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -113.5 | -11.5 | 163.6 | -71.9 | -165.9 | 158.8 | 0 | 0 | 114.8 | | |
| 64 | S | 49 | Very low | 50.5 | Low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -108.4 | 1.5 | 177.1 | -171.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 65 | H | 53 | Low | 49.9 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -104.6 | 3.3 | 176.8 | -89 | -83.4 | 0 | 0 | 0 | 113.7 | V67 | H65-V67 VanDerWaalsContact C-N 3.32Å; H65-V67 PolarHBondContact O-N 3.35Å |
| 66 | L | 52.7 | Low | 49.8 | Very low | 130 Ų | 130 | 146 Ų | 146 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -0.2 | -168 | -101.2 | 130.1 | 0 | 0 | 0 | 117 | T62 | T62-L66 WeakPolarHBondContact O-CD1 3.35Š|
| 67 | V | 49.9 | Very low | 50.1 | Low | 132 Ų | 132 | 143.7 Ų | 143.7 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -4.7 | -171.7 | -174.6 | 0 | 0 | 0 | 0 | 114.3 | H65 | H65-V67 VanDerWaalsContact C-N 3.32Å; H65-V67 PolarHBondContact O-N 3.35Å |
| 68 | N | 50.7 | Low | 50.1 | Low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -124.8 | 20.9 | -167.8 | -157.5 | 30 | 0 | 0 | 0 | 116.5 | | |
| 69 | I | 57.2 | Low | 50.4 | Low | 145 Ų | 145 | 145.8 Ų | 145.8 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -116.1 | -11 | 176.3 | -57.9 | 176.9 | 0 | 0 | 0 | 112.6 | D71 | I69-D71 PolarHBondContact O-N 3.27Š|
| 70 | C | 57.2 | Low | 50.9 | Low | 126 Ų | 126 | 147.3 Ų | 147.3 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -10.8 | -177.9 | -70.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 71 | D | 57.7 | Low | 51.1 | Low | 144 Ų | 144 | 147.6 Ų | 147.6 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 7.2 | -166.7 | -82.5 | -26 | 0 | 0 | 0 | 116.4 | I69 | I69-D71 PolarHBondContact O-N 3.27Š|
| 72 | L | 49.9 | Very low | 50.9 | Low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | -151.3 | 93.5 | -174.4 | -150.3 | 68.4 | 0 | 0 | 0 | 113.9 | | |
| 73 | K | 45.6 | Very low | 50.7 | Low | 172 Ų | 172 | 149.5 Ų | 149.5 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | | 158.8 | 106.3 | 109.5 | -161.1 | 170 | -174.6 | 178.6 | 0 | 112.1 | | |
| 74 | I | 46.3 | Very low | 50.8 | Low | 137 Ų | 137 | 147.5 Ų | 147.5 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | | | trans | 66.6 | 105 | 133.1 | -54.7 | 172.9 | 0 | 0 | 0 | 117.2 | | |
| 75 | V | 40.5 | Very low | 51 | Low | 210 Ų | 210 | 150 Ų | 150 | 100% | 1.273 | 81% | 0.806 | S | S | * | * | | | trans | -73.8 | 0 | 131.7 | 172.3 | 0 | 0 | 0 | 0 | 108.1 | | |