| 1 | M | 63 | Low | 79.6 | Confident | 208 Ų | 208 | 120.4 Ų | 120.4 | 100% | 1.025 | 64% | 0.635 | S | S | * | * | | | | 0 | 110.9 | 0 | -86.4 | 66.4 | 175.5 | 0 | 0 | 108.2 | I3 | M1-I3 VanDerWaalsContact C-N 3.26Å; M1-I3 HydrophobicContact CB-CG1 4.32Å; M1-I3 PolarHBondContact O-N 2.93Å |
| 2 | D | 68.7 | Low | 80.6 | Confident | 148 Ų | 148 | 118.3 Ų | 118.3 | 79% | 0.791 | 63% | 0.63 | S | S | * | * | | | trans | -87.2 | 66.1 | -169.6 | -55.2 | -86.9 | 0 | 0 | 0 | 110.5 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.23Å; D2-D5 PolarHBondContact O-N 3.28Å; D2-D5 VanDerWaalsContact O-N 3.16Å |
| 3 | I | 66.9 | Low | 81.6 | Confident | 129 Ų | 129 | 116.3 Ų | 116.3 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -13.7 | -176.7 | -63.2 | 168.2 | 0 | 0 | 0 | 112.1 | M1 | M1-I3 VanDerWaalsContact C-N 3.26Å; M1-I3 HydrophobicContact CB-CG1 4.32Å; M1-I3 PolarHBondContact O-N 2.93Å |
| 4 | Y | 73.9 | Confident | 82.4 | Confident | 199 Ų | 199 | 117.8 Ų | 117.8 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 18.6 | -178.5 | -60.4 | -77.4 | 0 | 0 | 0 | 114.1 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.23Å; Y4-T6 PolarHBondContact O-N 3.13Å; Y4-T6 VanDerWaalsContact O-N 3.14Å |
| 5 | D | 85.2 | Confident | 83.3 | Confident | 68 Ų | 68 | 111.9 Ų | 111.9 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | | | trans | -55.6 | 120.8 | 168.7 | 165 | 50.5 | 0 | 0 | 0 | 110.5 | D2 Q7 T8 L9 | D2-D5 PolarHBondContact O-N 3.28Å; D2-D5 VanDerWaalsContact O-N 3.16Å; D5-Q7 PolarHBondContact O-N 3.14Å; D5-Q7 PolarHBondContact OD1-N 3.47Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.32Å; D5-T8 PolarHBondContact O-N 3.38Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 WeakPolarHBondContact OD2-CB 3.21Å; D5-T8 PolarHBondContact OD2-N 3.43Å; D5-T8 PolarHBondContact OD2-OG1 3.29Å; D5-L9 WeakPolarHBondContact O-CB 3.37Å; D5-L9 PolarHBondContact O-N 3.31Å |
| 6 | T | 82.4 | Confident | 84.2 | Confident | 117 Ų | 117 | 107.3 Ų | 107.3 | 72% | 0.718 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.1 | -31.1 | -174.5 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.13Å; Y4-T6 VanDerWaalsContact O-N 3.14Å; T6-G10 PolarHBondContact O-N 3Å |
| 7 | Q | 82.9 | Confident | 84.8 | Confident | 151 Ų | 151 | 109.4 Ų | 109.4 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.7 | -48.6 | 176.1 | -179.5 | 179.1 | 98.7 | 0 | 0 | 110.7 | D5 G10 V11 | D5-Q7 PolarHBondContact O-N 3.14Å; D5-Q7 PolarHBondContact OD1-N 3.47Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.32Å; Q7-G10 PolarHBondContact O-N 3.04Å; Q7-V11 WeakPolarHBondContact O-CG2 3.21Å; Q7-V11 PolarHBondContact O-N 2.74Å |
| 8 | T | 85.2 | Confident | 85.5 | Confident | 77 Ų | 77 | 109.3 Ų | 109.3 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.7 | -45.7 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 3.38Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 WeakPolarHBondContact OD2-CB 3.21Å; D5-T8 PolarHBondContact OD2-N 3.43Å; D5-T8 PolarHBondContact OD2-OG1 3.29Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 2.74Å; T8-V11 PolarHBondContact O-N 3.34Å; T8-V12 HydrophobicContact CG2-CG2 4.42Å; T8-V12 WeakPolarHBondContact O-CG2 3.5Å; T8-V12 PolarHBondContact O-N 3.46Å |
| 9 | L | 88.2 | Confident | 86.1 | Confident | 89 Ų | 89 | 108.2 Ų | 108.2 | 47% | 0.466 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.4 | -41.6 | 175.1 | -171.3 | 70.6 | 0 | 0 | 0 | 111.1 | D5 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.37Å; D5-L9 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.01Å; L9-V13 HydrophobicContact CD1-CG2 4.33Å; L9-V13 HydrophobicContact CG-CG2 4.31Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.33Å; L9-V13 PolarHBondContact O-N 3.45Å |
| 10 | G | 90.5 | Very high | 86.6 | Confident | 38 Ų | 38 | 107.9 Ų | 107.9 | 39% | 0.392 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.8 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 3Å; Q7-G10 PolarHBondContact O-N 3.04Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 2.74Å; G10-F14 WeakPolarHBondContact O-CB 3.23Å; G10-F14 PolarHBondContact O-N 2.8Å |
| 11 | V | 88.6 | Confident | 87 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.7 | -41.4 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.21Å; Q7-V11 PolarHBondContact O-N 2.74Å; T8-V11 PolarHBondContact O-N 3.34Å; V11-G15 WeakPolarHBondContact O-CA 2.88Å; V11-G15 PolarHBondContact O-N 3.29Å |
| 12 | V | 92.1 | Very high | 88.6 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 58% | 0.582 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.6 | -43.7 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | T8 L9 G16 | T8-V12 HydrophobicContact CG2-CG2 4.42Å; T8-V12 WeakPolarHBondContact O-CG2 3.5Å; T8-V12 PolarHBondContact O-N 3.46Å; L9-V12 PolarHBondContact O-N 3.01Å; V12-G16 WeakPolarHBondContact O-CA 3.14Å; V12-G16 PolarHBondContact O-N 3.48Å |
| 13 | V | 93.3 | Very high | 89.9 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -44.7 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L9 F17 | L9-V13 HydrophobicContact CD1-CG2 4.33Å; L9-V13 HydrophobicContact CG-CG2 4.31Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.33Å; L9-V13 PolarHBondContact O-N 3.45Å; V13-F17 WeakPolarHBondContact O-CB 3.24Å; V13-F17 PolarHBondContact O-N 3.42Å |
| 14 | F | 92.8 | Very high | 91.2 | Very high | 137 Ų | 137 | 90.4 Ų | 90.4 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -44.7 | 179 | -177.9 | -107.1 | 0 | 0 | 0 | 112.1 | G10 M18 | G10-F14 WeakPolarHBondContact O-CB 3.23Å; G10-F14 PolarHBondContact O-N 2.8Å; F14-M18 HydrophobicContact CD1-CE 4.18Å; F14-M18 HydrophobicContact CE1-CE 3.38Å; F14-M18 HydrophobicContact CZ-CE 3.58Å; F14-M18 VanDerWaalsContact O-CB 3.27Å; F14-M18 WeakPolarHBondContact O-CB 3.28Å; F14-M18 PolarHBondContact O-N 3.26Å |
| 15 | G | 96.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 86.3 Ų | 86.3 | 31% | 0.309 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V11 M18 V19 | V11-G15 WeakPolarHBondContact O-CA 2.88Å; V11-G15 PolarHBondContact O-N 3.29Å; G15-M18 PolarHBondContact O-N 3.48Å; G15-V19 WeakPolarHBondContact O-CG2 3.32Å; G15-V19 PolarHBondContact O-N 2.79Å |
| 16 | G | 97.1 | Very high | 92.5 | Very high | 37 Ų | 37 | 89.8 Ų | 89.8 | 38% | 0.381 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 M18 V19 V20 | V12-G16 WeakPolarHBondContact O-CA 3.14Å; V12-G16 PolarHBondContact O-N 3.48Å; G16-M18 PolarHBondContact O-N 3.43Å; G16-V19 PolarHBondContact O-N 3.3Å; G16-V20 WeakPolarHBondContact O-CB 3.05Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.46Å; G16-V20 PolarHBondContact O-N 3.03Å |
| 17 | F | 95.6 | Very high | 92.9 | Very high | 143 Ų | 143 | 88.2 Ų | 88.2 | 63% | 0.627 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 176.2 | -177.6 | -99 | 0 | 0 | 0 | 112.3 | V13 S21 | V13-F17 WeakPolarHBondContact O-CB 3.24Å; V13-F17 PolarHBondContact O-N 3.42Å; F17-S21 WeakPolarHBondContact CE1-OG 3.38Å; F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 2.7Å; F17-S21 PolarHBondContact O-OG 3.17Å |
| 18 | M | 95.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 85.5 Ų | 85.5 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.9 | -171.5 | -172.8 | -64.3 | 0 | 0 | 111.4 | F14 G15 G16 S21 A22 | F14-M18 HydrophobicContact CD1-CE 4.18Å; F14-M18 HydrophobicContact CE1-CE 3.38Å; F14-M18 HydrophobicContact CZ-CE 3.58Å; F14-M18 VanDerWaalsContact O-CB 3.27Å; F14-M18 WeakPolarHBondContact O-CB 3.28Å; F14-M18 PolarHBondContact O-N 3.26Å; G15-M18 PolarHBondContact O-N 3.48Å; G16-M18 PolarHBondContact O-N 3.43Å; M18-S21 PolarHBondContact O-N 2.95Å; M18-A22 VanDerWaalsContact O-CB 3.3Å; M18-A22 WeakPolarHBondContact O-CB 3.39Å; M18-A22 PolarHBondContact O-N 3.46Å |
| 19 | V | 97.2 | Very high | 93.3 | Very high | 88 Ų | 88 | 85 Ų | 85 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.4 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.32Å; G15-V19 PolarHBondContact O-N 2.79Å; G16-V19 PolarHBondContact O-N 3.3Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 2.9Å; V19-A22 PolarHBondContact O-N 2.81Å; V19-I23 HydrophobicContact CG1-CD1 3.8Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.29Å; V19-I23 PolarHBondContact O-N 2.82Å |
| 20 | V | 96.5 | Very high | 93.1 | Very high | 102 Ų | 102 | 83 Ų | 83 | 62% | 0.618 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | G16 I23 G24 | G16-V20 WeakPolarHBondContact O-CB 3.05Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.46Å; G16-V20 PolarHBondContact O-N 3.03Å; V20-I23 PolarHBondContact O-N 2.74Å; V20-G24 PolarHBondContact O-N 2.83Å |
| 21 | S | 95.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 86.4 Ų | 86.4 | 27% | 0.266 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 175 | -61.7 | 0 | 0 | 0 | 0 | 112 | F17 M18 V19 I23 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.38Å; F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 2.7Å; F17-S21 PolarHBondContact O-OG 3.17Å; M18-S21 PolarHBondContact O-N 2.95Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 2.9Å; S21-I23 VanDerWaalsContact C-N 3.35Å; S21-I23 PolarHBondContact O-N 3.5Å; S21-G24 PolarHBondContact O-N 2.69Å; S21-I25 WeakPolarHBondContact O-CB 3.25Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.06Å; S21-I25 PolarHBondContact O-N 2.68Å |
| 22 | A | 95.8 | Very high | 92 | Very high | 59 Ų | 59 | 84.6 Ų | 84.6 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M18 V19 F26 | M18-A22 VanDerWaalsContact O-CB 3.3Å; M18-A22 WeakPolarHBondContact O-CB 3.39Å; M18-A22 PolarHBondContact O-N 3.46Å; V19-A22 PolarHBondContact O-N 2.81Å; A22-F26 WeakPolarHBondContact O-CB 3.22Å; A22-F26 PolarHBondContact O-N 3.04Å |
| 23 | I | 96 | Very high | 90.7 | Very high | 92 Ų | 92 | 87.2 Ų | 87.2 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 174.3 | -66.4 | 166 | 0 | 0 | 0 | 110.8 | V19 V20 S21 I25 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.8Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.29Å; V19-I23 PolarHBondContact O-N 2.82Å; V20-I23 PolarHBondContact O-N 2.74Å; S21-I23 VanDerWaalsContact C-N 3.35Å; S21-I23 PolarHBondContact O-N 3.5Å; I23-I25 PolarHBondContact O-N 2.77Å; I23-F26 PolarHBondContact O-N 3.48Å; I23-L27 HydrophobicContact CG2-CD1 3.86Å; I23-L27 HydrophobicContact CG2-CG 4.2Å; I23-L27 WeakPolarHBondContact O-CB 3.14Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.22Å; I23-L27 PolarHBondContact O-N 3.14Å |
| 24 | G | 95.5 | Very high | 89.3 | Confident | 37 Ų | 37 | 89.2 Ų | 89.2 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 2.83Å; S21-G24 PolarHBondContact O-N 2.69Å; G24-L27 PolarHBondContact O-N 2.83Å; G24-V28 PolarHBondContact O-N 3.26Å |
| 25 | I | 92.9 | Very high | 87.7 | Confident | 113 Ų | 113 | 88.9 Ų | 88.9 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.3 | -41.6 | 174.2 | -64.4 | 164.5 | 0 | 0 | 0 | 110.3 | S21 I23 L27 V28 S29 | S21-I25 WeakPolarHBondContact O-CB 3.25Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.06Å; S21-I25 PolarHBondContact O-N 2.68Å; I23-I25 PolarHBondContact O-N 2.77Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 3.38Å; I25-V28 PolarHBondContact O-N 2.76Å; I25-S29 WeakPolarHBondContact O-CA 3.16Å; I25-S29 WeakPolarHBondContact O-CB 3.17Å; I25-S29 PolarHBondContact O-N 2.88Å |
| 26 | F | 92 | Very high | 85.9 | Confident | 141 Ų | 141 | 92.4 Ų | 92.4 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -40.5 | 175.5 | -178.3 | -97.1 | 0 | 0 | 0 | 111.8 | A22 I23 T30 | A22-F26 WeakPolarHBondContact O-CB 3.22Å; A22-F26 PolarHBondContact O-N 3.04Å; I23-F26 PolarHBondContact O-N 3.48Å; F26-T30 HydrophobicContact CE1-CG2 4.4Å; F26-T30 WeakPolarHBondContact O-CB 3.29Å; F26-T30 WeakPolarHBondContact O-CG2 3.48Å; F26-T30 PolarHBondContact O-N 3.5Å |
| 27 | L | 92.5 | Very high | 84.3 | Confident | 85 Ų | 85 | 94.2 Ų | 94.2 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -49.3 | 176.5 | -73.2 | 176.1 | 0 | 0 | 0 | 111.7 | I23 G24 I25 S29 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 3.86Å; I23-L27 HydrophobicContact CG2-CG 4.2Å; I23-L27 WeakPolarHBondContact O-CB 3.14Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.22Å; I23-L27 PolarHBondContact O-N 3.14Å; G24-L27 PolarHBondContact O-N 2.83Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 3.38Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.5Å; L27-T30 PolarHBondContact O-N 3.39Å; L27-F31 VanDerWaalsContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CB 3.3Å; L27-F31 PolarHBondContact O-N 3.46Å |
| 28 | V | 88.2 | Confident | 82.5 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -32.3 | 178.4 | 83 | 0 | 0 | 0 | 0 | 111.7 | G24 I25 S32 | G24-V28 PolarHBondContact O-N 3.26Å; I25-V28 PolarHBondContact O-N 2.76Å; V28-S32 WeakPolarHBondContact O-CB 3.29Å; V28-S32 PolarHBondContact O-N 2.81Å; V28-S32 PolarHBondContact O-OG 3.21Å |
| 29 | S | 88.2 | Confident | 81 | Confident | 67 Ų | 67 | 97.4 Ų | 97.4 | 47% | 0.469 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -77.5 | -41.8 | 177.8 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | I25 L27 S32 M33 | I25-S29 WeakPolarHBondContact O-CA 3.16Å; I25-S29 WeakPolarHBondContact O-CB 3.17Å; I25-S29 PolarHBondContact O-N 2.88Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.5Å; S29-S32 PolarHBondContact O-N 2.85Å; S29-M33 WeakPolarHBondContact O-CB 3.35Å; S29-M33 PolarHBondContact O-N 3.28Å |
| 30 | T | 83.9 | Confident | 79.4 | Confident | 46 Ų | 46 | 98.7 Ų | 98.7 | 28% | 0.282 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.7 | -34.4 | 174.9 | -157.5 | 0 | 0 | 0 | 0 | 112.2 | F26 L27 M33 K34 | F26-T30 HydrophobicContact CE1-CG2 4.4Å; F26-T30 WeakPolarHBondContact O-CB 3.29Å; F26-T30 WeakPolarHBondContact O-CG2 3.48Å; F26-T30 PolarHBondContact O-N 3.5Å; L27-T30 PolarHBondContact O-N 3.39Å; T30-M33 PolarHBondContact O-N 3.45Å; T30-K34 WeakPolarHBondContact O-CB 3.19Å; T30-K34 WeakPolarHBondContact O-CG 2.99Å; T30-K34 PolarHBondContact O-N 3.2Å |
| 31 | F | 79.3 | Confident | 78 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.6 | -47.8 | 168.6 | -92.8 | -95.6 | 0 | 0 | 0 | 110.5 | L27 M33 K34 E35 | L27-F31 VanDerWaalsContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CB 3.3Å; L27-F31 PolarHBondContact O-N 3.46Å; F31-M33 PolarHBondContact O-N 3.49Å; F31-M33 VanDerWaalsContact O-N 3.14Å; F31-K34 CarbonylContact O-C 3.54Å; F31-K34 PolarHBondContact O-N 3.14Å; F31-E35 HydrophobicContact CB-CG 4.18Å; F31-E35 HydrophobicContact CD1-CG 3.78Å; F31-E35 HydrophobicContact CG-CG 4.47Å; F31-E35 VanDerWaalsContact O-CB 3.22Å; F31-E35 WeakPolarHBondContact O-CB 3.38Å; F31-E35 WeakPolarHBondContact O-CG 3.3Å; F31-E35 PolarHBondContact O-N 2.81Å |
| 32 | S | 75.5 | Confident | 76.6 | Confident | 63 Ų | 63 | 99.4 Ų | 99.4 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -56.2 | -36.6 | 175 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | V28 S29 T36 | V28-S32 WeakPolarHBondContact O-CB 3.29Å; V28-S32 PolarHBondContact O-N 2.81Å; V28-S32 PolarHBondContact O-OG 3.21Å; S29-S32 PolarHBondContact O-N 2.85Å; S32-T36 WeakPolarHBondContact O-CB 3.25Å; S32-T36 PolarHBondContact O-N 3.31Å; S32-T36 VanDerWaalsContact O-N 3.17Å; S32-T36 PolarHBondContact O-OG1 3.24Å |
| 33 | M | 65.9 | Low | 75.5 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 74% | 0.739 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.6 | -19.8 | 177.4 | -169.2 | 167.6 | 151.1 | 0 | 0 | 113.8 | S29 T30 F31 S37 | S29-M33 WeakPolarHBondContact O-CB 3.35Å; S29-M33 PolarHBondContact O-N 3.28Å; T30-M33 PolarHBondContact O-N 3.45Å; F31-M33 PolarHBondContact O-N 3.49Å; F31-M33 VanDerWaalsContact O-N 3.14Å; M33-S37 WeakPolarHBondContact O-CB 3.43Å |
| 34 | K | 63.5 | Low | 74.2 | Confident | 134 Ų | 134 | 97.4 Ų | 97.4 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -91.4 | -40.5 | 170 | -77.4 | -176.8 | 68.7 | -177.2 | 0 | 113.2 | T30 F31 Y38 | T30-K34 WeakPolarHBondContact O-CB 3.19Å; T30-K34 WeakPolarHBondContact O-CG 2.99Å; T30-K34 PolarHBondContact O-N 3.2Å; F31-K34 CarbonylContact O-C 3.54Å; F31-K34 PolarHBondContact O-N 3.14Å; K34-Y38 WeakPolarHBondContact O-CB 3.31Å; K34-Y38 PolarHBondContact O-N 3.46Å |
| 35 | E | 59.8 | Low | 73 | Confident | 131 Ų | 131 | 101.2 Ų | 101.2 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.8 | -29.8 | -171.8 | -58.8 | -90 | 106 | 0 | 0 | 111.9 | F31 | F31-E35 HydrophobicContact CB-CG 4.18Å; F31-E35 HydrophobicContact CD1-CG 3.78Å; F31-E35 HydrophobicContact CG-CG 4.47Å; F31-E35 VanDerWaalsContact O-CB 3.22Å; F31-E35 WeakPolarHBondContact O-CB 3.38Å; F31-E35 WeakPolarHBondContact O-CG 3.3Å; F31-E35 PolarHBondContact O-N 2.81Å |
| 36 | T | 57.4 | Low | 71.7 | Confident | 103 Ų | 103 | 104.5 Ų | 104.5 | 63% | 0.632 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -87.6 | -23.9 | 175.3 | -28.1 | 0 | 0 | 0 | 0 | 112.9 | S32 | S32-T36 WeakPolarHBondContact O-CB 3.25Å; S32-T36 PolarHBondContact O-N 3.31Å; S32-T36 VanDerWaalsContact O-N 3.17Å; S32-T36 PolarHBondContact O-OG1 3.24Å |
| 37 | S | 64 | Low | 70.7 | Confident | 76 Ų | 76 | 103.1 Ų | 103.1 | 53% | 0.531 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -95.3 | -27.3 | -178 | -174.4 | 0 | 0 | 0 | 0 | 114 | M33 | M33-S37 WeakPolarHBondContact O-CB 3.43Å |
| 38 | Y | 56.4 | Low | 69.1 | Low | 177 Ų | 177 | 105.5 Ų | 105.5 | 69% | 0.694 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.4 | -29.4 | 179.4 | -171.3 | -104.7 | 0 | 0 | 0 | 112.4 | K34 | K34-Y38 WeakPolarHBondContact O-CB 3.31Å; K34-Y38 PolarHBondContact O-N 3.46Å |
| 39 | E | 66.2 | Low | 67.4 | Low | 140 Ų | 140 | 106.8 Ų | 106.8 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -46.7 | 174.4 | -149.9 | -76.9 | 147.1 | 0 | 0 | 111 | A41 L42 A43 | E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.87Å; E39-L42 PolarHBondContact O-N 3.28Å; E39-A43 PolarHBondContact O-N 2.88Å |
| 40 | E | 63.3 | Low | 66 | Low | 115 Ų | 115 | 107.2 Ų | 107.2 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -33 | -178.8 | -171 | 176 | -177.7 | 0 | 0 | 113.1 | A43 N44 | E40-A43 PolarHBondContact O-N 3.44Å; E40-N44 VanDerWaalsContact O-CB 3.32Å; E40-N44 WeakPolarHBondContact O-CB 3.47Å; E40-N44 PolarHBondContact O-N 3.49Å; E40-N44 PolarHBondContact OE1-ND2 2.85Å |
| 41 | A | 66.7 | Low | 64.8 | Low | 59 Ų | 59 | 111.8 Ų | 111.8 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.2 | -43.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E39 A43 N44 Q45 | E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.87Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-N44 PolarHBondContact O-N 2.91Å; A41-Q45 PolarHBondContact O-N 3.5Å |
| 42 | L | 66.6 | Low | 63.5 | Low | 96 Ų | 96 | 112 Ų | 112 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -38 | 176.9 | -125.4 | 87.7 | 0 | 0 | 0 | 111.3 | E39 R46 | E39-L42 PolarHBondContact O-N 3.28Å; L42-R46 PolarHBondContact O-N 2.92Å |
| 43 | A | 70.9 | Confident | 62.3 | Low | 44 Ų | 44 | 117.3 Ų | 117.3 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.3 | -45.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E39 E40 A41 R46 K47 | E39-A43 PolarHBondContact O-N 2.88Å; E40-A43 PolarHBondContact O-N 3.44Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A43-R46 PolarHBondContact O-N 3.13Å; A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 2.96Å |
| 44 | N | 69.9 | Low | 61.4 | Low | 65 Ų | 65 | 118.4 Ų | 118.4 | 35% | 0.348 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.3 | -39.9 | 178.8 | -92.2 | -27.3 | 0 | 0 | 0 | 112.3 | E40 A41 R46 K47 E48 | E40-N44 VanDerWaalsContact O-CB 3.32Å; E40-N44 WeakPolarHBondContact O-CB 3.47Å; E40-N44 PolarHBondContact O-N 3.49Å; E40-N44 PolarHBondContact OE1-ND2 2.85Å; A41-N44 PolarHBondContact O-N 2.91Å; N44-R46 VanDerWaalsContact C-N 3.32Å; N44-R46 PolarHBondContact O-N 3.32Å; N44-K47 CarbonylContact O-C 3.54Å; N44-K47 PolarHBondContact O-N 2.82Å; N44-E48 VanDerWaalsContact O-CB 3.24Å; N44-E48 WeakPolarHBondContact O-CB 3.27Å; N44-E48 PolarHBondContact O-N 2.83Å |
| 45 | Q | 70.9 | Confident | 60.5 | Low | 117 Ų | 117 | 120.7 Ų | 120.7 | 55% | 0.547 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.4 | -39.7 | 179.6 | -157.3 | -119.5 | -18.8 | 0 | 0 | 111.9 | A41 M49 | A41-Q45 PolarHBondContact O-N 3.5Å; Q45-M49 WeakPolarHBondContact O-CE 3.15Å; Q45-M49 WeakPolarHBondContact O-CG 3.46Å; Q45-M49 PolarHBondContact O-N 3.47Å |
| 46 | R | 64.3 | Low | 59.3 | Low | 182 Ų | 182 | 124.8 Ų | 124.8 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.6 | -35.8 | 172 | -72.1 | -178.8 | 173.7 | 157.3 | -1.1 | 113.1 | L42 A43 N44 A50 | L42-R46 PolarHBondContact O-N 2.92Å; A43-R46 PolarHBondContact O-N 3.13Å; N44-R46 VanDerWaalsContact C-N 3.32Å; N44-R46 PolarHBondContact O-N 3.32Å; R46-A50 WeakPolarHBondContact O-CB 3.33Å; R46-A50 PolarHBondContact O-N 2.86Å |
| 47 | K | 71.5 | Confident | 58.7 | Low | 112 Ų | 112 | 122.7 Ų | 122.7 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -80.4 | -28.4 | -176 | -169 | 178.7 | -175.5 | -179 | 0 | 113.4 | A43 N44 K51 | A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 2.96Å; N44-K47 CarbonylContact O-C 3.54Å; N44-K47 PolarHBondContact O-N 2.82Å; K47-K51 HydrophobicContact CG-CD 4.28Å; K47-K51 WeakPolarHBondContact O-CB 3.1Å; K47-K51 VanDerWaalsContact O-CG 3.23Å; K47-K51 WeakPolarHBondContact O-CG 3.49Å; K47-K51 PolarHBondContact O-N 2.88Å |
| 48 | E | 58.9 | Low | 57.6 | Low | 135 Ų | 135 | 128.5 Ų | 128.5 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.3 | -46.5 | 176.5 | -172.5 | -178.3 | 145.6 | 0 | 0 | 110.8 | N44 A50 K51 T52 | N44-E48 VanDerWaalsContact O-CB 3.24Å; N44-E48 WeakPolarHBondContact O-CB 3.27Å; N44-E48 PolarHBondContact O-N 2.83Å; E48-A50 PolarHBondContact O-N 3.3Å; E48-K51 PolarHBondContact O-N 2.73Å; E48-K51 VanDerWaalsContact O-N 3.13Å; E48-T52 PolarHBondContact O-N 3.39Å; E48-T52 PolarHBondContact O-OG1 2.88Å |
| 49 | M | 52 | Low | 57.1 | Low | 120 Ų | 120 | 130 Ų | 130 | 59% | 0.591 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.2 | -28.2 | 173.5 | -64.9 | -168.8 | -57.6 | 0 | 0 | 112.5 | Q45 | Q45-M49 WeakPolarHBondContact O-CE 3.15Å; Q45-M49 WeakPolarHBondContact O-CG 3.46Å; Q45-M49 PolarHBondContact O-N 3.47Å |
| 50 | A | 59.4 | Low | 55.9 | Low | 76 Ų | 76 | 133.2 Ų | 133.2 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -14.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R46 E48 | R46-A50 WeakPolarHBondContact O-CB 3.33Å; R46-A50 PolarHBondContact O-N 2.86Å; E48-A50 PolarHBondContact O-N 3.3Å |
| 51 | K | 59.2 | Low | 55 | Low | 143 Ų | 143 | 136.8 Ų | 136.8 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -9.2 | -174 | -74.5 | -176.1 | 178 | -161.8 | 0 | 115.2 | K47 E48 H53 | K47-K51 HydrophobicContact CG-CD 4.28Å; K47-K51 WeakPolarHBondContact O-CB 3.1Å; K47-K51 VanDerWaalsContact O-CG 3.23Å; K47-K51 WeakPolarHBondContact O-CG 3.49Å; K47-K51 PolarHBondContact O-N 2.88Å; E48-K51 PolarHBondContact O-N 2.73Å; E48-K51 VanDerWaalsContact O-N 3.13Å; K51-H53 PolarHBondContact O-N 2.83Å; K51-H53 VanDerWaalsContact O-N 3.14Å |
| 52 | T | 51.5 | Low | 53.8 | Low | 114 Ų | 114 | 142 Ų | 142 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 0.1 | 178.2 | 23.5 | 0 | 0 | 0 | 0 | 114.6 | E48 | E48-T52 PolarHBondContact O-N 3.39Å; E48-T52 PolarHBondContact O-OG1 2.88Å |
| 53 | H | 49.8 | Very low | 53 | Low | 175 Ų | 175 | 144.9 Ų | 144.9 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -17.3 | 178 | -166.6 | -99.4 | 0 | 0 | 0 | 115 | K51 | K51-H53 PolarHBondContact O-N 2.83Å; K51-H53 VanDerWaalsContact O-N 3.14Å |
| 54 | H | 46.2 | Very low | 51.7 | Low | 172 Ų | 172 | 151.9 Ų | 151.9 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -121.8 | 18.7 | -159.1 | -134.5 | -57.7 | 0 | 0 | 0 | 118 | | |
| 55 | Q | 44.7 | Very low | 50.8 | Low | 183 Ų | 183 | 155.1 Ų | 155.1 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -138.5 | 56.6 | 172.7 | -152.1 | -179.4 | 96.1 | 0 | 0 | 113.8 | | |
| 56 | K | 36.1 | Very low | 50 | Low | 217 Ų | 217 | 155.6 Ų | 155.6 | 94% | 0.943 | 75% | 0.752 | S | S | * | * | | | trans | -92.4 | 122.2 | 153.9 | -84.8 | -173.1 | 175.8 | 178.2 | 0 | 108.5 | | |
| 57 | G | 44.1 | Very low | 49.4 | Very low | 59 Ų | 59 | 153.7 Ų | 153.7 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | | | trans | 98.5 | 139.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 58 | E | 41.9 | Very low | 48.3 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | cis | -136.1 | 142.2 | 6.8 | -71.6 | 172.4 | 90.1 | 0 | 0 | 111.3 | | |
| 59 | K | 45.1 | Very low | 47.4 | Very low | 208 Ų | 208 | 159.5 Ų | 159.5 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | -85.9 | 138.3 | 170.4 | -76.7 | 178.9 | 176.4 | 173.7 | 0 | 109.5 | | |
| 60 | K | 41.7 | Very low | 47.3 | Very low | 207 Ų | 207 | 157.6 Ų | 157.6 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | | | trans | 83.5 | 127.5 | 145 | -154 | 178.4 | -174.1 | -179.8 | 0 | 116.9 | | |
| 61 | K | 44.1 | Very low | 46.4 | Very low | 190 Ų | 190 | 164 Ų | 164 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | 91.4 | 92.2 | 154 | -155.2 | -179.6 | -179.6 | -170.9 | 0 | 118.3 | | |
| 62 | K | 41.7 | Very low | 45.8 | Very low | 169 Ų | 169 | 163.7 Ų | 163.7 | 74% | 0.735 | 81% | 0.809 | S | S | * | * | | | | 29.9 | 114.3 | 118.4 | 179 | -177.8 | -176.6 | -85 | 0 | 116.4 | | |
| 63 | E | 48.2 | Very low | 45.3 | Very low | 157 Ų | 157 | 167.8 Ų | 167.8 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | | -166.9 | 172.8 | 100.7 | -152.7 | 120.9 | 151.4 | 0 | 0 | 112.6 | | |
| 64 | K | 45.2 | Very low | 45.2 | Very low | 191 Ų | 191 | 169 Ų | 169 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | | | trans | -85.1 | 142.7 | -178.4 | -57.5 | 168.9 | 176.7 | 177.3 | 0 | 111.5 | | |
| 65 | T | 51.2 | Low | 45.1 | Very low | 132 Ų | 132 | 168.8 Ų | 168.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -160.3 | 102.9 | 146 | -68.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 66 | V | 52.7 | Low | 45.1 | Very low | 128 Ų | 128 | 167.9 Ų | 167.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | | 67.4 | 103.3 | 89 | 140.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 67 | E | 51.9 | Low | 45.5 | Very low | 142 Ų | 142 | 164.9 Ų | 164.9 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | | | trans | 30.2 | 133 | 140.5 | -68.1 | -147.2 | 106.5 | 0 | 0 | 124.1 | | |
| 68 | K | 48 | Very low | 45.6 | Very low | 158 Ų | 158 | 171.9 Ų | 171.9 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | | | | 97.2 | 130.1 | 128.4 | -85.3 | 165.4 | -179.2 | 142.3 | 0 | 121.3 | | |
| 69 | K | 39.9 | Very low | 46.8 | Very low | 211 Ų | 211 | 167.9 Ų | 167.9 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | 67.8 | 112.2 | 151.1 | -72.8 | -175.6 | 173.4 | -179.1 | 0 | 119 | | |
| 70 | G | 51.3 | Low | 46.4 | Very low | 79 Ų | 79 | 165.6 Ų | 165.6 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -163.5 | 102.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 71 | K | 39.2 | Very low | 46.7 | Very low | 211 Ų | 211 | 159 Ų | 159 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | -124.6 | 100.1 | -174.5 | -178.2 | -177.4 | -176.1 | 178.1 | 0 | 109.2 | | |
| 72 | T | 48.3 | Very low | 46.9 | Very low | 136 Ų | 136 | 159 Ų | 159 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -139.9 | 112.4 | -177.6 | -26.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 73 | K | 40.3 | Very low | 47.8 | Very low | 201 Ų | 201 | 157.9 Ų | 157.9 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -68.3 | 138.7 | 162 | -73.4 | 176.8 | 169.2 | -177.9 | 0 | 109.3 | | |
| 74 | K | 47.9 | Very low | 48.2 | Very low | 201 Ų | 201 | 156.3 Ų | 156.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | | 175.2 | 154.1 | 122 | -106.5 | -177.6 | 173.8 | -177.6 | 0 | 113.4 | | |
| 75 | K | 44.6 | Very low | 48.3 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | 62.4 | 120.4 | 164.3 | -83.2 | -164 | 163 | -156.9 | 0 | 117 | | |
| 76 | E | 42.8 | Very low | 48.5 | Very low | 164 Ų | 164 | 156.9 Ų | 156.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | cis | 65.8 | 105.8 | 42.6 | -165.5 | -168 | 163.9 | 0 | 0 | 112.2 | | |
| 77 | E | 44.5 | Very low | 48 | Very low | 155 Ų | 155 | 157.3 Ų | 157.3 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | | 175.7 | 134.4 | 118.8 | -159.4 | 168.8 | 128.9 | 0 | 0 | 109.4 | | |
| 78 | K | 48.1 | Very low | 48.1 | Very low | 206 Ų | 206 | 158.5 Ų | 158.5 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | | | trans | -110.2 | 125.5 | 170.6 | -75.4 | -177.4 | 178.5 | -179.8 | 0 | 109.2 | | |
| 79 | P | 65 | Low | 48.1 | Very low | 114 Ų | 114 | 156.2 Ų | 156.2 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | | | trans | -108.1 | 107.1 | 157.5 | 30.4 | -20.2 | 0 | 0 | 0 | 111.7 | | |
| 80 | N | 37.2 | Very low | 48.8 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | 4.2 | 128.9 | 150.8 | -160.3 | 9.1 | 0 | 0 | 0 | 119.5 | | |
| 81 | G | 48.4 | Very low | 48.7 | Very low | 70 Ų | 70 | 154 Ų | 154 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -147.4 | 21.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 82 | K | 48.7 | Very low | 49.4 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 71.2 | 138 | 161 | -56.5 | -168.5 | 176.1 | -170 | 0 | 121.1 | | |
| 83 | I | 59.5 | Low | 49.3 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | 75.3 | 98 | 163.7 | -51.1 | 149.9 | 0 | 0 | 0 | 117.1 | | |
| 84 | P | 57.6 | Low | 50 | Low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -81.7 | 130.1 | 148.2 | 1.8 | 18 | 0 | 0 | 0 | 110.3 | | |
| 85 | E | 47.5 | Very low | 50.3 | Low | 177 Ų | 177 | 142.4 Ų | 142.4 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -119.5 | 114.3 | 148.3 | -90.3 | -144.3 | 123.3 | 0 | 0 | 108.4 | | |
| 86 | H | 54.5 | Low | 50.4 | Low | 158 Ų | 158 | 141.6 Ų | 141.6 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | | | trans | -117.6 | 87.8 | 164.7 | 170.4 | -71.5 | 0 | 0 | 0 | 105 | D89 | H86-D89 IonicContact CE1-OD2 3.9Š|
| 87 | D | 42.4 | Very low | 50.8 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -136 | 85.8 | 172 | -159.1 | -89.4 | 0 | 0 | 0 | 109.2 | | |
| 88 | L | 55.2 | Low | 50.5 | Low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -154.5 | 53.5 | 154.8 | -103.9 | 174.9 | 0 | 0 | 0 | 106.4 | | |
| 89 | D | 46.7 | Very low | 50.9 | Low | 110 Ų | 110 | 138.4 Ų | 138.4 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | | | trans | -64.8 | 136.1 | 170.8 | -134.1 | -82.7 | 0 | 0 | 0 | 108.2 | H86 N91 | H86-D89 IonicContact CE1-OD2 3.9Å; D89-N91 PolarHBondContact O-N 2.86Å |
| 90 | P | 56 | Low | 49.9 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -73.7 | 74.9 | -176.5 | 30.2 | -35.6 | 0 | 0 | 0 | 110.9 | V92 | P90-V92 PolarHBondContact O-N 2.85Š|
| 91 | N | 47.9 | Very low | 50.3 | Low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | | | trans | -69.2 | 107.4 | 179.8 | -170 | -95 | 0 | 0 | 0 | 110.6 | D89 T93 | D89-N91 PolarHBondContact O-N 2.86Å; N91-T93 VanDerWaalsContact C-N 3.34Å; N91-T93 PolarHBondContact O-N 3.42Å; N91-T93 PolarHBondContact O-OG1 2.92Å |
| 92 | V | 55.3 | Low | 50 | Low | 117 Ų | 117 | 144.9 Ų | 144.9 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | | | trans | -24.7 | 90 | 154.3 | -175.2 | 0 | 0 | 0 | 0 | 112 | P90 I94 | P90-V92 PolarHBondContact O-N 2.85Å; V92-I94 VanDerWaalsContact O-CD1 3.29Å; V92-I94 WeakPolarHBondContact O-CD1 3.45Å; V92-I94 VanDerWaalsContact O-CG1 3.25Å; V92-I94 WeakPolarHBondContact O-CG1 3.32Å |
| 93 | T | 44.6 | Very low | 49.8 | Very low | 120 Ų | 120 | 142 Ų | 142 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | -98 | 96.9 | 158.3 | -62.7 | 0 | 0 | 0 | 0 | 104.4 | N91 | N91-T93 VanDerWaalsContact C-N 3.34Å; N91-T93 PolarHBondContact O-N 3.42Å; N91-T93 PolarHBondContact O-OG1 2.92Å |
| 94 | I | 56 | Low | 48.9 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 64% | 0.641 | 75% | 0.751 | S | S | * | * | | | | 61.4 | 141.4 | 75.5 | -55.3 | 159.3 | 0 | 0 | 0 | 110.3 | V92 | V92-I94 VanDerWaalsContact O-CD1 3.29Å; V92-I94 WeakPolarHBondContact O-CD1 3.45Å; V92-I94 VanDerWaalsContact O-CG1 3.25Å; V92-I94 WeakPolarHBondContact O-CG1 3.32Å |
| 95 | I | 53.2 | Low | 48.5 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | 80.5 | 80.7 | 179.1 | -42.3 | -166.4 | 0 | 0 | 0 | 113 | | |
| 96 | L | 46.8 | Very low | 48.2 | Very low | 149 Ų | 149 | 135 Ų | 135 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | | 89 | 117.9 | 71.5 | 176.8 | 76 | 0 | 0 | 0 | 112.8 | | |
| 97 | K | 50.8 | Low | 48.1 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 71.3 | 92.5 | 152.4 | -160.2 | 86.8 | 71.4 | 174.3 | 0 | 118.4 | | |
| 98 | E | 38.3 | Very low | 48.1 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | -12.1 | 109.7 | 133.9 | -177.2 | -174.4 | -173.7 | 0 | 0 | 115.8 | V100 | E98-V100 HydrophobicContact CG-CG2 4.28Å; E98-V100 PolarHBondContact O-N 3.23Å; E98-V100 VanDerWaalsContact O-N 3.14Å |
| 99 | P | 57.7 | Low | 47.7 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | | | trans | -82.1 | 86.3 | 167.8 | 32.2 | -32.2 | 0 | 0 | 0 | 110.6 | R101 | P99-R101 PolarHBondContact O-N 2.84Š|
| 100 | V | 43.6 | Very low | 47.8 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | | | trans | -60.4 | 115.4 | 150.6 | 172.8 | 0 | 0 | 0 | 0 | 107.6 | E98 | E98-V100 HydrophobicContact CG-CG2 4.28Å; E98-V100 PolarHBondContact O-N 3.23Å; E98-V100 VanDerWaalsContact O-N 3.14Å |
| 101 | R | 45.3 | Very low | 47.2 | Very low | 238 Ų | 238 | 129.5 Ų | 129.5 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | | | trans | -167.6 | 131.2 | 131.1 | -108.4 | -167.1 | -85.2 | -128.5 | 8.8 | 112.3 | P99 S103 | P99-R101 PolarHBondContact O-N 2.84Å; R101-S103 PolarHBondContact O-N 3.21Å |
| 102 | V | 42.8 | Very low | 46.9 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | -68 | 124.3 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | A104 | V102-A104 HydrophobicContact CG1-CB 4.24Š|
| 103 | S | 43.4 | Very low | 46.4 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | -90.6 | 107.5 | 166.5 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | R101 | R101-S103 PolarHBondContact O-N 3.21Š|
| 104 | A | 41.3 | Very low | 46.2 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 60% | 0.603 | 76% | 0.761 | S | S | * | * | | | trans | -127.9 | 141.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V102 | V102-A104 HydrophobicContact CG1-CB 4.24Š|
| 105 | V | 49 | Very low | 45.8 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | 74.1 | 119 | 160.5 | -179.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 106 | A | 41.4 | Very low | 45.3 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | | | trans | 68.5 | 160.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 107 | V | 53.5 | Low | 45.1 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | cis | -145.6 | 141.1 | 20.7 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 108 | A | 40.7 | Very low | 45 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | trans | 47.9 | 144.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 109 | P | 47.9 | Very low | 45.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -94.2 | 146.5 | 164.1 | 37.2 | -31.9 | 0 | 0 | 0 | 113.5 | | |
| 110 | T | 47.4 | Very low | 45.1 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -146.7 | 121.9 | 170.4 | -39 | 0 | 0 | 0 | 0 | 106.2 | | |
| 111 | S | 44 | Very low | 45.3 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | 83.9 | 138.8 | 46.3 | -156.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 112 | V | 41.8 | Very low | 45.4 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | | | trans | 65.9 | 108.9 | 170.2 | -55 | 0 | 0 | 0 | 0 | 122.7 | | |
| 113 | H | 45.8 | Very low | 45.5 | Very low | 178 Ų | 178 | 119.3 Ų | 119.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | | 177.3 | 125.7 | 122.5 | -121.5 | -108.8 | 0 | 0 | 0 | 108.5 | | |
| 114 | S | 40.3 | Very low | 45.9 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | cis | 92.6 | 107.7 | 31.4 | -161.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 115 | S | 45.8 | Very low | 45.9 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | 154.1 | 109.5 | 163.7 | -170.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 116 | V | 43.6 | Very low | 45.8 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | cis | 69.1 | 119.6 | 47.2 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 117 | G | 42.9 | Very low | 46.5 | Very low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | | | trans | 94.3 | 138.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 118 | H | 47.9 | Very low | 46.1 | Very low | 190 Ų | 190 | 123.9 Ų | 123.9 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | | | cis | -149.4 | 162.7 | -3 | -68.9 | 123.8 | 0 | 0 | 0 | 112.2 | | |
| 119 | T | 43.9 | Very low | 46.4 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -68.1 | 179.2 | 170.9 | 37.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 120 | P | 54.3 | Low | 45.8 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | | | cis | -128.5 | 147.9 | 15.9 | 15.9 | 11.6 | 0 | 0 | 0 | 117 | | |
| 121 | I | 49 | Very low | 45.4 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | | 55.9 | 109.3 | 95.9 | -61 | 174.4 | 0 | 0 | 0 | 115.5 | | |
| 122 | A | 47.4 | Very low | 45.2 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -160.2 | 127.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 123 | T | 44.4 | Very low | 45.1 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | 54.7 | 83.9 | 154.7 | -43.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 124 | V | 51.3 | Low | 45.4 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | | | | 81.7 | 133.3 | 80 | 171.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 125 | P | 42.3 | Very low | 45.8 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -120.6 | 157.2 | -147.7 | 40.1 | -26.4 | 0 | 0 | 0 | 116.1 | | |
| 126 | A | 46.3 | Very low | 46 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -156.7 | 137.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 127 | M | 55.5 | Low | 46.4 | Very low | 168 Ų | 168 | 135 Ų | 135 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -46.1 | 141.8 | -170.4 | -44.3 | -171.7 | -56.2 | 0 | 0 | 118 | | |
| 128 | P | 46.5 | Very low | 46.8 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | -91.9 | 115.2 | 155.6 | -2.4 | 22.3 | 0 | 0 | 0 | 111.2 | | |
| 129 | Q | 45.5 | Very low | 47 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | -80.5 | 152.9 | 168.2 | -86.5 | -172 | -75.1 | 0 | 0 | 112.2 | K131 | Q129-K131 PolarHBondContact O-N 2.73Š|
| 130 | E | 36.4 | Very low | 47.2 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -59.6 | 126.3 | 164.5 | -63.4 | 174.4 | 87.2 | 0 | 0 | 112.3 | | |
| 131 | K | 38.5 | Very low | 46.8 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | trans | -170.8 | 122.7 | 130.6 | -110.9 | 169.3 | -177.3 | 175.4 | 0 | 113.4 | Q129 A133 | Q129-K131 PolarHBondContact O-N 2.73Å; K131-A133 PolarHBondContact O-N 2.95Å |
| 132 | L | 38.9 | Very low | 46.8 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 95% | 0.953 | 75% | 0.752 | S | S | * | * | | | trans | -74.8 | 109.7 | 162 | -74.5 | 161 | 0 | 0 | 0 | 110 | | |
| 133 | A | 40.6 | Very low | 47 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | | | trans | -176.8 | 122.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 113 | K131 | K131-A133 PolarHBondContact O-N 2.95Š|
| 134 | S | 52.4 | Low | 47.2 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | | -170.6 | 110.9 | 112.1 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 135 | S | 49.2 | Very low | 47 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | -61.1 | 164.5 | 144.6 | -163.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 136 | P | 50.1 | Low | 47.1 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | | | | -168.9 | 153.4 | 95 | 43.1 | -21.1 | 0 | 0 | 0 | 121.6 | | |
| 137 | K | 50.7 | Low | 47.3 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 61% | 0.609 | 74% | 0.736 | S | S | * | * | | | | 68 | 151 | 127.9 | -75.9 | -166.8 | 174.2 | 168.3 | 0 | 124.8 | S230 | K137-S230 PolarHBondContact NZ-O 3.37Š|
| 138 | D | 52.5 | Low | 46.8 | Very low | 45 Ų | 45 | 144.1 Ų | 144.1 | 24% | 0.241 | 74% | 0.739 | C | S | . | * | | | cis | -168 | -135.4 | -5.5 | -175.5 | -103 | 0 | 0 | 0 | 113 | Q231 A232 K233 | D138-Q231 VanDerWaalsContact OD1-CA 3.28Å; D138-Q231 WeakPolarHBondContact OD1-CA 3.09Å; D138-A232 PolarHBondContact OD1-N 2.85Å; D138-K233 VanDerWaalsContact C-CB 3.45Å; D138-K233 WeakPolarHBondContact O-CB 3.37Å; D138-K233 WeakPolarHBondContact O-CD 3.47Å; D138-K233 WeakPolarHBondContact O-CG 3.49Å |
| 139 | R | 50.4 | Low | 46.7 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 48% | 0.483 | 74% | 0.736 | S | S | . | * | | | trans | -112.3 | 165.7 | -155.1 | -49.5 | 145.7 | -157.9 | -171.1 | -8.6 | 119.2 | | |
| 140 | K | 48.1 | Very low | 46.4 | Very low | 179 Ų | 179 | 143 Ų | 143 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | | | trans | 178.7 | 152.1 | 135.2 | -119.2 | 166.2 | 172.2 | 172.4 | 0 | 109.5 | | |
| 141 | K | 47.6 | Very low | 46.5 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | | | cis | -175.5 | 140.2 | -25.5 | 168.5 | 176.1 | 178.2 | -179.3 | 0 | 105.9 | E143 | K141-E143 WeakPolarHBondContact CE-OE2 3.26Å; K141-E143 IonicContact NZ-OE2 3.29Å; K141-E143 PolarHBondContact NZ-OE2 3Å |
| 142 | K | 47.4 | Very low | 46.9 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | | 166.7 | 120.8 | 103.6 | -168.4 | 163.6 | -177.6 | -173.4 | 0 | 108.1 | | |
| 143 | E | 52.3 | Low | 47.2 | Very low | 123 Ų | 123 | 132 Ų | 132 | 58% | 0.575 | 71% | 0.711 | S | S | * | * | | | | 48.4 | 140.1 | 106.3 | -46.3 | 174 | 69.3 | 0 | 0 | 115.3 | K141 | K141-E143 WeakPolarHBondContact CE-OE2 3.26Å; K141-E143 IonicContact NZ-OE2 3.29Å; K141-E143 PolarHBondContact NZ-OE2 3Å |
| 144 | K | 49.1 | Very low | 47.7 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | | | cis | -168.6 | 134.9 | 30.4 | -147.8 | -180 | -178.6 | -177.1 | 0 | 113.6 | | |
| 145 | K | 46.7 | Very low | 47.3 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | | | trans | 52.8 | 134.6 | 138.1 | -77.8 | -162.7 | 171.9 | -160.6 | 0 | 126.2 | | |
| 146 | V | 43.6 | Very low | 47.2 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | | | | 100.8 | 147.5 | 125.2 | 160.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 147 | A | 51.8 | Low | 46.9 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | | | trans | 68.9 | 112.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 148 | K | 45.6 | Very low | 46.8 | Very low | 202 Ų | 202 | 136.4 Ų | 136.4 | 88% | 0.878 | 73% | 0.725 | S | S | * | * | | | cis | 57.4 | 93.8 | 38 | -172.5 | 159.1 | -177.6 | 169.6 | 0 | 114 | | |
| 149 | V | 42.8 | Very low | 46.7 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | | | trans | -175.9 | 144.8 | 134.6 | 140.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 150 | E | 39.6 | Very low | 46.9 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | 54.6 | 120.8 | 164.3 | -79.3 | -80.2 | 86.1 | 0 | 0 | 122 | A152 | E150-A152 PolarHBondContact O-N 3.01Š|
| 151 | P | 39.7 | Very low | 46.6 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -82.2 | 82.7 | 161.3 | 34.8 | -30.5 | 0 | 0 | 0 | 110.7 | V153 | P151-V153 PolarHBondContact O-N 3.14Š|
| 152 | A | 47.1 | Very low | 46.4 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | | | trans | -69 | 117.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E150 S154 | E150-A152 PolarHBondContact O-N 3.01Å; A152-S154 PolarHBondContact O-N 3.16Å |
| 153 | V | 45.2 | Very low | 46.2 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | -77.6 | 100 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | P151 | P151-V153 PolarHBondContact O-N 3.14Š|
| 154 | S | 49.6 | Very low | 45.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -171.2 | 139.6 | 169.4 | -80.8 | 0 | 0 | 0 | 0 | 107.5 | A152 | A152-S154 PolarHBondContact O-N 3.16Š|
| 155 | S | 44.6 | Very low | 45.6 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | S | Bend | cis | -157.6 | 170.3 | 18.1 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 156 | I | 47.7 | Very low | 45.8 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | 74.3 | 58.6 | 173.9 | -38.1 | 171.2 | 0 | 0 | 0 | 115.1 | N158 | I156-N158 HydrophobicContact CG2-CB 4.33Š|
| 157 | V | 42.4 | Very low | 45.6 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 90% | 0.903 | 77% | 0.771 | S | S | * | * | | | trans | -86.8 | 103.8 | 136 | 172.7 | 0 | 0 | 0 | 0 | 105.9 | S159 | V157-S159 PolarHBondContact O-N 3.13Š|
| 158 | N | 49.3 | Very low | 45.2 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | -75.2 | 88.1 | -171.7 | -169.7 | 12.6 | 0 | 0 | 0 | 112 | I156 I160 | I156-N158 HydrophobicContact CG2-CB 4.33Å; N158-I160 PolarHBondContact O-N 3.21Å; N158-I160 VanDerWaalsContact O-N 3.13Å |
| 159 | S | 49.3 | Very low | 45.3 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 28 | 73 | 139.4 | -177.3 | 0 | 0 | 0 | 0 | 118 | V157 | V157-S159 PolarHBondContact O-N 3.13Š|
| 160 | I | 55.3 | Low | 45.1 | Very low | 161 Ų | 161 | 129 Ų | 129 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | | | trans | -143.3 | 83.4 | 131.2 | -51.7 | -175 | 0 | 0 | 0 | 108.8 | N158 | N158-I160 PolarHBondContact O-N 3.21Å; N158-I160 VanDerWaalsContact O-N 3.13Å |
| 161 | Q | 41.8 | Very low | 44.9 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | | | trans | -127.7 | 72.5 | 156.6 | -160.5 | -159.5 | 116.6 | 0 | 0 | 108.2 | | |
| 162 | V | 43.4 | Very low | 45.2 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | | | trans | -145.4 | 131.6 | 179.2 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 163 | L | 44.4 | Very low | 45.1 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | 56.6 | 102.3 | 176.5 | -91.6 | 47.7 | 0 | 0 | 0 | 114.5 | | |
| 164 | A | 38.3 | Very low | 45 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | cis | 49.4 | 89.9 | 29.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 165 | S | 50.1 | Low | 45.1 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | 172.3 | 137.9 | 131.7 | -84.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 166 | K | 50.9 | Low | 44.9 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | 68.3 | 114.2 | 151.7 | -62.4 | 156.8 | -174.9 | -76 | 0 | 116.2 | | |
| 167 | S | 39.9 | Very low | 44.7 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | cis | 62.5 | 144.7 | 47.2 | 89.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 168 | A | 42.9 | Very low | 44.8 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | 99.7 | 140.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 169 | I | 46.5 | Very low | 44.5 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | cis | -177.9 | 145.5 | -24.2 | -125 | 152.7 | 0 | 0 | 0 | 107.3 | | |
| 170 | L | 39.9 | Very low | 44.7 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | 61.2 | 171.2 | 157.7 | -67.4 | -179 | 0 | 0 | 0 | 116.1 | | |
| 171 | E | 34.9 | Very low | 44 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | cis | -178.3 | 141.6 | -21.8 | 167.6 | -171.9 | 132.5 | 0 | 0 | 106.5 | T173 | E171-T173 HydrophobicContact CG-CG2 4.16Š|
| 172 | A | 46.5 | Very low | 44.5 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | | | trans | 163.1 | 89.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 173 | T | 43.4 | Very low | 45.4 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | | 80.6 | 146.3 | 75.2 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | E171 | E171-T173 HydrophobicContact CG-CG2 4.16Š|
| 174 | P | 43.1 | Very low | 46.4 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | trans | -118.2 | 173.8 | -150.2 | 41.5 | -29.6 | 0 | 0 | 0 | 115.2 | | |
| 175 | K | 52.3 | Low | 46.9 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | | | trans | -169.4 | 120.4 | 153.4 | -94.9 | 140.1 | -176.5 | -177.5 | 0 | 107.5 | | |
| 176 | E | 40.2 | Very low | 46.8 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | | 68.8 | 106.8 | 52.8 | -76.7 | -91.1 | 87.1 | 0 | 0 | 115.3 | | |
| 177 | V | 43 | Very low | 47 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | 71.5 | 150.2 | 143.4 | -178.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 178 | P | 45.4 | Very low | 47.3 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | cis | -128.6 | 173.5 | 11.8 | 17.9 | 8.7 | 0 | 0 | 0 | 118.6 | | |
| 179 | M | 43.6 | Very low | 47.4 | Very low | 187 Ų | 187 | 130 Ų | 130 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | | | trans | -66.2 | 135.4 | 161.5 | -60 | 170.7 | 172.1 | 0 | 0 | 113.5 | | |
| 180 | V | 52.4 | Low | 47.4 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | -153.4 | 112.4 | 151.2 | -155.4 | 0 | 0 | 0 | 0 | 104.9 | | |
| 181 | A | 41.5 | Very low | 47.4 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | | 58.1 | 132.6 | 72 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 182 | V | 52 | Low | 47.9 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | cis | -147.8 | 140.8 | 15.4 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 183 | P | 62.7 | Low | 47.6 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -128.9 | 131.5 | -176 | 39.5 | -25.8 | 0 | 0 | 0 | 118.3 | | |
| 184 | P | 63.9 | Low | 47.6 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -134.9 | -174.3 | 154.2 | 42.4 | -27.9 | 0 | 0 | 0 | 111.7 | | |
| 185 | V | 48.9 | Very low | 47.6 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | cis | -146.9 | 143.5 | 7.1 | -157.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 186 | G | 48.5 | Very low | 47.1 | Very low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | trans | 80.5 | 144.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 187 | S | 55.3 | Low | 47.3 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | cis | -160.6 | 128.5 | -3.4 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 188 | K | 46.4 | Very low | 47.3 | Very low | 209 Ų | 209 | 122.3 Ų | 122.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | 63 | 146.5 | 154.6 | -54.8 | 179.4 | -175.2 | -173.9 | 0 | 118.2 | | |
| 189 | A | 45.6 | Very low | 47.3 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -166.1 | 174.8 | -18.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 190 | S | 46.4 | Very low | 47.2 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | 78.2 | 88 | 173.6 | 63.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 191 | S | 40.1 | Very low | 46.4 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -92.9 | -173.2 | 145.7 | 41.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 192 | P | 44 | Very low | 46.2 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | cis | -121.4 | 162 | 8.5 | 27.7 | -4.1 | 0 | 0 | 0 | 114.6 | | |
| 193 | A | 41.2 | Very low | 45.4 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | cis | 85.9 | 117 | 37.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 194 | T | 42.2 | Very low | 44.3 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -160.7 | 136.7 | 142.9 | -21.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 195 | S | 43 | Very low | 43.2 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | 45.2 | 125.9 | 153.7 | 59 | 0 | 0 | 0 | 0 | 121.5 | | |
| 196 | S | 42.4 | Very low | 43 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | cis | 86 | 93.8 | 13.5 | 92.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 197 | Q | 44 | Very low | 42.5 | Very low | 210 Ų | 210 | 132.1 Ų | 132.1 | 98% | 0.981 | 80% | 0.798 | S | S | * | * | | | trans | 171.5 | 145.9 | 147.8 | -102.7 | 171.3 | -106.7 | 0 | 0 | 107.3 | | |
| 198 | G | 43.4 | Very low | 41.8 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | cis | 173.7 | 174.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 199 | K | 45.2 | Very low | 42.1 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | | | cis | 167.4 | 132.3 | -22.6 | -168.5 | 176.4 | -174.4 | 172.8 | 0 | 104.6 | | |
| 200 | K | 41.6 | Very low | 42.1 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | trans | 67.9 | 158 | 171.2 | -69.5 | 170.6 | 174.8 | -169.5 | 0 | 117.4 | | |
| 201 | G | 37.2 | Very low | 42.2 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | cis | 169.5 | 157.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 202 | Q | 36.2 | Very low | 42.2 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 96% | 0.963 | 78% | 0.781 | S | S | * | * | | | trans | -68.6 | 163.1 | -175 | -63.1 | 169.2 | -11.6 | 0 | 0 | 115.1 | | |
| 203 | G | 35.9 | Very low | 42.3 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 160.9 | 145.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 204 | A | 39.6 | Very low | 42.4 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | 71.6 | 149 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 205 | Q | 40.9 | Very low | 42.6 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | cis | -170.7 | 139.3 | -4.1 | 148.3 | 177.8 | -20 | 0 | 0 | 113.2 | | |
| 206 | N | 43.6 | Very low | 42.8 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | | | trans | 39.6 | 125.8 | 148.9 | -58.1 | -19.3 | 0 | 0 | 0 | 125.2 | | |
| 207 | Q | 39.3 | Very low | 42.9 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | | 53.6 | 117.2 | 122.5 | -54.8 | -178.1 | 35.6 | 0 | 0 | 123.2 | | |
| 208 | A | 40.3 | Very low | 43 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | 66.3 | 167.2 | 130.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 209 | P | 51.3 | Low | 43.6 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | cis | -134.7 | -179.8 | -37 | 36.5 | -19 | 0 | 0 | 0 | 114.5 | | |
| 210 | N | 45.9 | Very low | 43.9 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | 55 | 112.8 | 142.7 | -168.1 | 14.1 | 0 | 0 | 0 | 121.2 | | |
| 211 | Q | 48.9 | Very low | 44.2 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | | 171.8 | 135.2 | 117.1 | -95.5 | 179.4 | 75.2 | 0 | 0 | 112.2 | | |
| 212 | G | 40.9 | Very low | 44.8 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | | | trans | -98.8 | 153.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 213 | K | 45.6 | Very low | 45.2 | Very low | 180 Ų | 180 | 132 Ų | 132 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -172.9 | 132.6 | 159.1 | -107.6 | 155.6 | -173.7 | 171.5 | 0 | 112.1 | | |
| 214 | K | 43.8 | Very low | 45.9 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | 60.9 | 128.9 | 164.2 | -58.5 | -174.9 | 173.5 | -170.3 | 0 | 116.1 | | |
| 215 | A | 45.7 | Very low | 46.3 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | cis | -146.6 | 141.6 | 49.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 216 | E | 46.6 | Very low | 46.6 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | | 68.2 | 123.5 | 83 | -148 | 175 | 160.4 | 0 | 0 | 112.5 | | |
| 217 | G | 45.1 | Very low | 46.7 | Very low | 70 Ų | 70 | 138.9 Ų | 138.9 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | cis | 175 | 141.8 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 218 | A | 46.8 | Very low | 46.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 66.8 | 131.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 219 | P | 54.7 | Low | 46.9 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | | -117.8 | 129 | 130 | 33.8 | -29.6 | 0 | 0 | 0 | 111 | | |
| 220 | N | 53 | Low | 46.6 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -78.2 | 128.3 | -173.5 | -168 | -13.3 | 0 | 0 | 0 | 111.8 | | |
| 221 | Q | 47.1 | Very low | 46.6 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -81.4 | 130.4 | 175.4 | -73.8 | -169.9 | 20.3 | 0 | 0 | 112.4 | | |
| 222 | G | 49.3 | Very low | 46.4 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | | | trans | 104.8 | 127.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 223 | K | 44.8 | Very low | 47 | Very low | 189 Ų | 189 | 132 Ų | 132 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | | -179 | 121.1 | 108.9 | -95.3 | 155.7 | -174.6 | 170.6 | 0 | 111.8 | | |
| 224 | K | 49.8 | Very low | 47.2 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | 68.5 | 158.5 | 145.3 | -55.6 | 179.9 | -178.9 | -174 | 0 | 114.6 | | |
| 225 | K | 48.2 | Very low | 47.4 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | cis | -154.5 | 158 | 12.4 | -144.4 | 167 | -178.2 | -171.6 | 0 | 111.6 | | |
| 226 | D | 48.6 | Very low | 47.5 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | -43.3 | 155.1 | 177.8 | -51.9 | -91.3 | 0 | 0 | 0 | 119.9 | | |
| 227 | G | 44.9 | Very low | 47.5 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | | | trans | 167 | 121.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 228 | S | 37.6 | Very low | 47.4 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | | | trans | -117.1 | 156.5 | -166.1 | -172 | 0 | 0 | 0 | 0 | 115.5 | | |
| 229 | P | 45.8 | Very low | 47.6 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | | | trans | -122.6 | 172.3 | -165.3 | 42.8 | -32.1 | 0 | 0 | 0 | 119.3 | | |
| 230 | S | 44.9 | Very low | 47.6 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 46% | 0.455 | 74% | 0.737 | S | S | . | * | | | trans | -170.4 | -172.5 | 171.8 | -88.7 | 0 | 0 | 0 | 0 | 115.5 | K137 | K137-S230 PolarHBondContact NZ-O 3.37Š|
| 231 | Q | 46.4 | Very low | 47.6 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 56% | 0.561 | 74% | 0.735 | S | S | * | * | | | | -159.8 | 158.8 | -54.4 | -98.9 | -178.5 | 99.4 | 0 | 0 | 113 | D138 | D138-Q231 VanDerWaalsContact OD1-CA 3.28Å; D138-Q231 WeakPolarHBondContact OD1-CA 3.09Å |
| 232 | A | 45.5 | Very low | 47.7 | Very low | 54 Ų | 54 | 123.1 Ų | 123.1 | 45% | 0.446 | 73% | 0.733 | S | S | . | * | | | trans | 60.5 | 153 | 172.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | D138 | D138-A232 PolarHBondContact OD1-N 2.85Š|
| 233 | K | 53.2 | Low | 47.5 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 59% | 0.591 | 74% | 0.744 | S | S | * | * | | | cis | 102 | 110.4 | -3.9 | -141 | -163 | -177.6 | 175.6 | 0 | 123.8 | D138 | D138-K233 VanDerWaalsContact C-CB 3.45Å; D138-K233 WeakPolarHBondContact O-CB 3.37Å; D138-K233 WeakPolarHBondContact O-CD 3.47Å; D138-K233 WeakPolarHBondContact O-CG 3.49Å |
| 234 | K | 49.8 | Very low | 47.5 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -162.2 | 165.5 | 140.1 | -116 | -151.8 | 165.8 | -169.3 | 0 | 107.3 | | |
| 235 | V | 47.5 | Very low | 47.4 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 62% | 0.624 | 74% | 0.74 | S | S | * | * | | | cis | -162.7 | 124.2 | -32.7 | 114 | 0 | 0 | 0 | 0 | 105.2 | | |
| 236 | D | 48.2 | Very low | 46.9 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | | 63.9 | 120.7 | 89.8 | -149 | -63 | 0 | 0 | 0 | 116.4 | | |
| 237 | A | 45.4 | Very low | 46.7 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | 177.8 | 129.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 238 | A | 44.5 | Very low | 46.6 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | | | trans | 85.3 | 146.7 | 140.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 239 | A | 51.4 | Low | 46.9 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | trans | 73.9 | 135.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 240 | N | 53.3 | Low | 46.8 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | | 177.6 | 150.9 | -63.4 | -176.3 | 11.1 | 0 | 0 | 0 | 108.1 | | |
| 241 | Q | 52.5 | Low | 46.7 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 75.6 | 137.2 | 169.1 | -46.7 | -163 | 6.9 | 0 | 0 | 119.8 | | |
| 242 | G | 49.4 | Very low | 46.6 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | 151.1 | 29.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 243 | K | 46.5 | Very low | 46.7 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -88.1 | 129.6 | 179.5 | -64.1 | 179.6 | 179.3 | -179.4 | 0 | 112.5 | | |
| 244 | K | 43.7 | Very low | 46 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | | | trans | 168.8 | 116.7 | 132.8 | -102.1 | -179 | 176.7 | -175.7 | 0 | 112.1 | | |
| 245 | S | 47.6 | Very low | 45.7 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | | | | 80.1 | 101.7 | 103.2 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 246 | E | 38.1 | Very low | 45.1 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | | 83.1 | 102.1 | 79.2 | -174.9 | -176.2 | 133.1 | 0 | 0 | 112.7 | | |
| 247 | M | 44.1 | Very low | 45 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 96% | 0.956 | 83% | 0.832 | S | S | * | * | | | trans | -164.3 | 136.7 | 136.7 | -113 | 175.8 | 151.9 | 0 | 0 | 110.2 | | |
| 248 | A | 43.6 | Very low | 45 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | | | trans | -97.8 | 171.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 249 | P | 44.2 | Very low | 44.9 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -91.4 | 163.5 | -158.6 | 36.9 | -36.6 | 0 | 0 | 0 | 114.7 | | |
| 250 | A | 43.9 | Very low | 44.8 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | | | trans | -134.1 | 121 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 251 | Q | 41.3 | Very low | 44.2 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 95% | 0.949 | 83% | 0.834 | S | S | * | * | | | trans | -81.1 | 122.6 | 177 | 177.2 | -178.1 | -12.4 | 0 | 0 | 110.1 | | |
| 252 | G | 44.3 | Very low | 43.7 | Very low | 72 Ų | 72 | 149.6 Ų | 149.6 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | | | trans | -125.6 | 84.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 253 | Q | 48.7 | Very low | 43.8 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | 42.8 | 106.1 | 150.1 | -60.6 | -179.8 | -4.4 | 0 | 0 | 119.6 | | |
| 254 | K | 37.4 | Very low | 43.8 | Very low | 221 Ų | 221 | 145.9 Ų | 145.9 | 96% | 0.961 | 83% | 0.827 | S | S | * | * | | | trans | -77.5 | 121.2 | 148.1 | -73 | -166.7 | 175.9 | -171.2 | 0 | 109 | | |
| 255 | A | 43.5 | Very low | 44.1 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 66% | 0.661 | 82% | 0.824 | S | S | * | * | | | trans | -144.7 | 121.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 256 | S | 35.5 | Very low | 44.1 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | | | trans | 35.5 | 106.3 | 148.8 | 60.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 257 | M | 46.3 | Very low | 44.6 | Very low | 189 Ų | 189 | 149 Ų | 149 | 93% | 0.931 | 84% | 0.836 | S | S | * | * | | | | -155.8 | 96.3 | 128.4 | -147.1 | 166.2 | -170.5 | 0 | 0 | 107.1 | | |
| 258 | V | 46.1 | Very low | 44.9 | Very low | 107 Ų | 107 | 144 Ų | 144 | 65% | 0.648 | 83% | 0.826 | S | S | * | * | | | | 70.2 | 100.3 | 66.3 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 259 | Q | 41.1 | Very low | 45.3 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | 67.7 | 98.9 | 138.5 | -163.8 | 175.6 | 46.8 | 0 | 0 | 119.5 | | |
| 260 | S | 50.6 | Low | 45.8 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -160.7 | 89.5 | 134.1 | -83.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 261 | Q | 39.6 | Very low | 46.2 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -98.2 | 126.9 | 148.8 | -71.7 | -174 | 78.4 | 0 | 0 | 106.5 | | |
| 262 | E | 42.3 | Very low | 46.8 | Very low | 197 Ų | 197 | 145 Ų | 145 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -169.1 | 161.3 | 139 | -123.4 | 179.7 | 80.2 | 0 | 0 | 113.7 | | |
| 263 | A | 52.1 | Low | 47.2 | Very low | 78 Ų | 78 | 150.6 Ų | 150.6 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | | | trans | 74.2 | 85.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 264 | P | 45 | Very low | 47.5 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -91.9 | 97.8 | 143.4 | 33.6 | -24.1 | 0 | 0 | 0 | 109.7 | | |
| 265 | K | 51.9 | Low | 48.3 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -143.7 | 100.6 | 173.1 | -70.3 | -170.8 | 179.1 | 176.7 | 0 | 111.9 | | |
| 266 | Q | 46.1 | Very low | 48.9 | Very low | 202 Ų | 202 | 141.1 Ų | 141.1 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | | | trans | -121.3 | 88 | 157.8 | -89 | -164.7 | -39.7 | 0 | 0 | 108.7 | | |
| 267 | D | 48.8 | Very low | 49.8 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -95.5 | 135 | 160.1 | -86.5 | -72.1 | 0 | 0 | 0 | 109 | | |
| 268 | A | 50.2 | Low | 50.3 | Low | 90 Ų | 90 | 147.4 Ų | 147.4 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | -83.9 | -164.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 269 | P | 52.8 | Low | 50.9 | Low | 117 Ų | 117 | 151.9 Ų | 151.9 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | cis | -137 | -161.8 | -7.2 | 39.9 | -20.1 | 0 | 0 | 0 | 113.3 | | |
| 270 | A | 53.4 | Low | 51.6 | Low | 81 Ų | 81 | 147 Ų | 147 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | 75.8 | 156 | 152 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 271 | K | 52.4 | Low | 52.2 | Low | 178 Ų | 178 | 150.5 Ų | 150.5 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | | | cis | -164.2 | 147.7 | -21 | -111.3 | 167.4 | -174.6 | 166.2 | 0 | 107.7 | | |
| 272 | K | 54.2 | Low | 53.2 | Low | 184 Ų | 184 | 146.5 Ų | 146.5 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | 70.4 | 145.3 | 149.3 | -67.9 | 174.5 | 176.1 | -176.8 | 0 | 121 | | |
| 273 | K | 53.3 | Low | 54.3 | Low | 188 Ų | 188 | 143.8 Ų | 143.8 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | | | trans | 92.1 | 101.2 | 139.2 | -93 | -172.3 | 173.6 | -171.3 | 0 | 121.4 | | |
| 274 | S | 54.4 | Low | 54.7 | Low | 120 Ų | 120 | 149.7 Ų | 149.7 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | | | | 86.5 | 149.7 | 116.8 | 73.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 275 | G | 55.2 | Low | 55.2 | Low | 73 Ų | 73 | 150.6 Ų | 150.6 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | | | trans | 116.6 | 59.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 276 | S | 55.3 | Low | 55.3 | Low | 94 Ų | 94 | 148.8 Ų | 148.8 | 66% | 0.657 | 83% | 0.829 | S | S | * | * | | | | 65.3 | 98.9 | 69.4 | 179.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 277 | R | 55.2 | Low | 55.9 | Low | 241 Ų | 241 | 145.8 Ų | 145.8 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | trans | 69.3 | 137.5 | 156.2 | -52.5 | 170.8 | -166.5 | -152.2 | 0.6 | 114.8 | | |
| 278 | K | 56.7 | Low | 56.3 | Low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | | | | 176.7 | 133.2 | 69.2 | 175.4 | 177.4 | -175 | 177.9 | 0 | 111 | | |
| 279 | K | 58.5 | Low | 56.7 | Low | 201 Ų | 201 | 148.6 Ų | 148.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | 57.2 | 137.6 | 170.9 | -68.2 | -176.1 | 169.7 | -166.5 | 0 | 116.4 | | |
| 280 | G | 56.7 | Low | 56.9 | Low | 72 Ų | 72 | 150.7 Ų | 150.7 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | | | cis | 138.5 | 126.4 | -0.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 281 | E | 63.3 | Low | 57.2 | Low | 197 Ų | 197 | 155.6 Ų | 155.6 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | | | trans | -148.6 | 162.7 | 172 | -97.6 | -145.2 | 87.2 | 0 | 0 | 111.3 | | |
| 282 | P | 58.7 | Low | 57.5 | Low | 105 Ų | 105 | 153.9 Ų | 153.9 | 68% | 0.682 | 85% | 0.847 | S | S | * | * | | | trans | -114 | 151.7 | -153.5 | 39.8 | -30.3 | 0 | 0 | 0 | 114.9 | | |
| 283 | V | 66.4 | Low | 57.8 | Low | 139 Ų | 139 | 151.4 Ų | 151.4 | 84% | 0.842 | 85% | 0.851 | S | S | * | * | | | trans | -149.2 | 134.9 | 158.2 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 284 | C | 60 | Low | 58.2 | Low | 203 Ų | 203 | 148.1 Ų | 148.1 | 100% | 1.372 | 85% | 0.854 | S | S | * | * | | | trans | 71.7 | 0 | -175.8 | -62.5 | 0 | 0 | 0 | 0 | 116.2 | | |