| 1 | M | 67.6 | Low | 81.2 | Confident | 219 Ų | 219 | 121 Ų | 121 | 100% | 1.079 | 64% | 0.635 | S | S | * | * | | | | 0 | 101.9 | 0 | -119.6 | 65.4 | -177.9 | 0 | 0 | 106.1 | I3 | M1-I3 PolarHBondContact O-N 3.28Š|
| 2 | D | 70.6 | Confident | 82.1 | Confident | 123 Ų | 123 | 118.9 Ų | 118.9 | 66% | 0.658 | 63% | 0.63 | S | S | * | * | | | trans | -103 | 106.4 | -148.5 | -65.5 | -98.6 | 0 | 0 | 0 | 107.5 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.21Å; D2-D5 VanDerWaalsContact O-CB 3.3Å; D2-D5 WeakPolarHBondContact O-CB 3.33Å; D2-D5 PolarHBondContact O-N 3.37Å |
| 3 | I | 68.2 | Low | 83 | Confident | 139 Ų | 139 | 116.6 Ų | 116.6 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -14.7 | -173.1 | -37.3 | 178.5 | 0 | 0 | 0 | 111.4 | M1 | M1-I3 PolarHBondContact O-N 3.28Š|
| 4 | Y | 75.8 | Confident | 83.7 | Confident | 213 Ų | 213 | 117.8 Ų | 117.8 | 84% | 0.835 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 2 | 176.7 | -58.6 | -74.3 | 0 | 0 | 0 | 114.3 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.21Å; Y4-T6 PolarHBondContact O-N 3.32Å |
| 5 | D | 86.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 112.1 Ų | 112.1 | 37% | 0.369 | 60% | 0.601 | S | S | . | * | | | trans | -57.4 | 133.5 | 172.4 | 161.3 | 62.9 | 0 | 0 | 0 | 111 | D2 Q7 T8 L9 | D2-D5 VanDerWaalsContact O-CB 3.3Å; D2-D5 WeakPolarHBondContact O-CB 3.33Å; D2-D5 PolarHBondContact O-N 3.37Å; D5-Q7 VanDerWaalsContact C-N 3.28Å; D5-Q7 PolarHBondContact O-N 3.1Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.45Å; D5-Q7 PolarHBondContact OD2-N 3.08Å; D5-Q7 VanDerWaalsContact OD2-N 3.17Å; D5-T8 PolarHBondContact O-N 3.45Å; D5-T8 VanDerWaalsContact O-N 3.16Å; D5-T8 PolarHBondContact OD2-N 3.33Å; D5-T8 PolarHBondContact OD2-OG1 2.69Å; D5-L9 WeakPolarHBondContact O-CB 3.14Å; D5-L9 PolarHBondContact O-N 3.25Å |
| 6 | T | 83.9 | Confident | 85.3 | Confident | 119 Ų | 119 | 107.3 Ų | 107.3 | 73% | 0.73 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.5 | -32 | -173.5 | -51 | 0 | 0 | 0 | 0 | 112.8 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.32Å; T6-G10 PolarHBondContact O-N 2.72Å |
| 7 | Q | 85 | Confident | 85.9 | Confident | 156 Ų | 156 | 109.2 Ų | 109.2 | 73% | 0.729 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.6 | -45.7 | 176 | -179 | -179.6 | 96.4 | 0 | 0 | 110.6 | D5 G10 V11 | D5-Q7 VanDerWaalsContact C-N 3.28Å; D5-Q7 PolarHBondContact O-N 3.1Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.45Å; D5-Q7 PolarHBondContact OD2-N 3.08Å; D5-Q7 VanDerWaalsContact OD2-N 3.17Å; Q7-G10 PolarHBondContact O-N 3.17Å; Q7-V11 WeakPolarHBondContact O-CG2 3.41Å; Q7-V11 PolarHBondContact O-N 3.2Å |
| 8 | T | 86 | Confident | 86.4 | Confident | 64 Ų | 64 | 109.3 Ų | 109.3 | 39% | 0.393 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.2 | -47.9 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 3.45Å; D5-T8 VanDerWaalsContact O-N 3.16Å; D5-T8 PolarHBondContact OD2-N 3.33Å; D5-T8 PolarHBondContact OD2-OG1 2.69Å; T8-G10 VanDerWaalsContact C-N 3.32Å; T8-G10 PolarHBondContact O-N 3.15Å; T8-V11 PolarHBondContact O-N 3.33Å; T8-V12 WeakPolarHBondContact O-CG2 3.21Å; T8-V12 PolarHBondContact O-N 3.42Å |
| 9 | L | 89.3 | Confident | 87 | Confident | 90 Ų | 90 | 108.2 Ų | 108.2 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.2 | -40.9 | 176 | -176.2 | 63 | 0 | 0 | 0 | 111.4 | D5 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.14Å; D5-L9 PolarHBondContact O-N 3.25Å; L9-V12 PolarHBondContact O-N 2.98Å; L9-V13 HydrophobicContact CD1-CG2 4.01Å; L9-V13 HydrophobicContact CG-CG2 4.31Å; L9-V13 WeakPolarHBondContact O-CB 3.17Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3.23Å |
| 10 | G | 91.1 | Very high | 87.5 | Confident | 38 Ų | 38 | 107.9 Ų | 107.9 | 39% | 0.392 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.9 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 2.72Å; Q7-G10 PolarHBondContact O-N 3.17Å; T8-G10 VanDerWaalsContact C-N 3.32Å; T8-G10 PolarHBondContact O-N 3.15Å; G10-F14 WeakPolarHBondContact O-CB 3.25Å; G10-F14 PolarHBondContact O-N 3.21Å |
| 11 | V | 89.2 | Confident | 87.8 | Confident | 101 Ų | 101 | 104.4 Ų | 104.4 | 61% | 0.612 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.2 | -42.3 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.41Å; Q7-V11 PolarHBondContact O-N 3.2Å; T8-V11 PolarHBondContact O-N 3.33Å; V11-G15 PolarHBondContact O-N 2.87Å |
| 12 | V | 92.2 | Very high | 89.1 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 58% | 0.582 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 178.2 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | T8 L9 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.21Å; T8-V12 PolarHBondContact O-N 3.42Å; L9-V12 PolarHBondContact O-N 2.98Å; V12-G16 WeakPolarHBondContact O-CA 3.24Å; V12-G16 PolarHBondContact O-N 3.07Å |
| 13 | V | 93.3 | Very high | 90.3 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L9 F17 | L9-V13 HydrophobicContact CD1-CG2 4.01Å; L9-V13 HydrophobicContact CG-CG2 4.31Å; L9-V13 WeakPolarHBondContact O-CB 3.17Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3.23Å; V13-F17 WeakPolarHBondContact O-CB 3.39Å; V13-F17 PolarHBondContact O-N 2.92Å |
| 14 | F | 93.1 | Very high | 91.6 | Very high | 133 Ų | 133 | 90.3 Ų | 90.3 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 179.6 | -177.8 | -100.5 | 0 | 0 | 0 | 112.2 | G10 M18 | G10-F14 WeakPolarHBondContact O-CB 3.25Å; G10-F14 PolarHBondContact O-N 3.21Å; F14-M18 HydrophobicContact CD1-SD 4.44Å; F14-M18 HydrophobicContact CE1-CE 3.99Å; F14-M18 HydrophobicContact CE1-CG 4.35Å; F14-M18 HydrophobicContact CE1-SD 3.69Å; F14-M18 HydrophobicContact CE2-CE 4.22Å; F14-M18 HydrophobicContact CZ-CE 3.5Å; F14-M18 VanDerWaalsContact CZ-CE 3.5Å; F14-M18 HydrophobicContact CZ-CG 4.36Å; F14-M18 HydrophobicContact CZ-SD 3.83Å; F14-M18 WeakPolarHBondContact O-CB 3.05Å; F14-M18 PolarHBondContact O-N 3.36Å |
| 15 | G | 96 | Very high | 92.4 | Very high | 32 Ų | 32 | 86 Ų | 86 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 M18 V19 | V11-G15 PolarHBondContact O-N 2.87Å; G15-M18 PolarHBondContact O-N 3.07Å; G15-V19 WeakPolarHBondContact O-CG2 3.17Å; G15-V19 PolarHBondContact O-N 3.46Å |
| 16 | G | 96.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 89.4 Ų | 89.4 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 V19 V20 | V12-G16 WeakPolarHBondContact O-CA 3.24Å; V12-G16 PolarHBondContact O-N 3.07Å; G16-V19 PolarHBondContact O-N 2.75Å; G16-V20 WeakPolarHBondContact O-CB 3.32Å; G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.48Å; G16-V20 PolarHBondContact O-N 2.77Å |
| 17 | F | 95.5 | Very high | 93 | Very high | 140 Ų | 140 | 88 Ų | 88 | 61% | 0.614 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.5 | -38 | 176.3 | -176.4 | -99.7 | 0 | 0 | 0 | 112.3 | V13 S21 | V13-F17 WeakPolarHBondContact O-CB 3.39Å; V13-F17 PolarHBondContact O-N 2.92Å; F17-S21 WeakPolarHBondContact CE1-OG 3.05Å; F17-S21 WeakPolarHBondContact CZ-OG 3.27Å; F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.37Å; F17-S21 PolarHBondContact O-OG 3.06Å |
| 18 | M | 95.7 | Very high | 93.1 | Very high | 111 Ų | 111 | 85.2 Ų | 85.2 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 172.8 | -86.5 | -160.3 | 156.2 | 0 | 0 | 112.1 | F14 G15 S21 A22 | F14-M18 HydrophobicContact CD1-SD 4.44Å; F14-M18 HydrophobicContact CE1-CE 3.99Å; F14-M18 HydrophobicContact CE1-CG 4.35Å; F14-M18 HydrophobicContact CE1-SD 3.69Å; F14-M18 HydrophobicContact CE2-CE 4.22Å; F14-M18 HydrophobicContact CZ-CE 3.5Å; F14-M18 VanDerWaalsContact CZ-CE 3.5Å; F14-M18 HydrophobicContact CZ-CG 4.36Å; F14-M18 HydrophobicContact CZ-SD 3.83Å; F14-M18 WeakPolarHBondContact O-CB 3.05Å; F14-M18 PolarHBondContact O-N 3.36Å; G15-M18 PolarHBondContact O-N 3.07Å; M18-S21 PolarHBondContact O-N 3.16Å; M18-A22 WeakPolarHBondContact O-CB 3.28Å; M18-A22 PolarHBondContact O-N 3.35Å |
| 19 | V | 97 | Very high | 93.2 | Very high | 88 Ų | 88 | 85.4 Ų | 85.4 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.17Å; G15-V19 PolarHBondContact O-N 3.46Å; G16-V19 PolarHBondContact O-N 2.75Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 3.2Å; V19-A22 PolarHBondContact O-N 2.71Å; V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 WeakPolarHBondContact O-CB 3.23Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.32Å; V19-I23 PolarHBondContact O-N 3.38Å |
| 20 | V | 96.3 | Very high | 92.8 | Very high | 101 Ų | 101 | 83.3 Ų | 83.3 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.4 | -37.2 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | G16 G24 | G16-V20 WeakPolarHBondContact O-CB 3.32Å; G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.48Å; G16-V20 PolarHBondContact O-N 2.77Å; V20-G24 PolarHBondContact O-N 2.82Å |
| 21 | S | 95.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 86.5 Ų | 86.5 | 25% | 0.252 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 174.6 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.05Å; F17-S21 WeakPolarHBondContact CZ-OG 3.27Å; F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.37Å; F17-S21 PolarHBondContact O-OG 3.06Å; M18-S21 PolarHBondContact O-N 3.16Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 3.2Å; S21-G24 PolarHBondContact O-N 3.44Å; S21-I25 WeakPolarHBondContact O-CB 3.45Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.28Å; S21-I25 PolarHBondContact O-N 2.98Å |
| 22 | A | 95.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 85 Ų | 85 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M18 V19 F26 | M18-A22 WeakPolarHBondContact O-CB 3.28Å; M18-A22 PolarHBondContact O-N 3.35Å; V19-A22 PolarHBondContact O-N 2.71Å; A22-F26 WeakPolarHBondContact O-CB 3.18Å; A22-F26 PolarHBondContact O-N 2.91Å |
| 23 | I | 95.6 | Very high | 89.9 | Confident | 93 Ų | 93 | 87.7 Ų | 87.7 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 173.6 | -67.1 | 166 | 0 | 0 | 0 | 110.8 | V19 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 WeakPolarHBondContact O-CB 3.23Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.32Å; V19-I23 PolarHBondContact O-N 3.38Å; I23-F26 PolarHBondContact O-N 2.69Å; I23-L27 HydrophobicContact CG2-CD1 3.86Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CB 3.12Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.18Å |
| 24 | G | 95 | Very high | 88.3 | Confident | 32 Ų | 32 | 88.7 Ų | 88.7 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 2.82Å; S21-G24 PolarHBondContact O-N 3.44Å; G24-L27 PolarHBondContact O-N 3.48Å; G24-V28 WeakPolarHBondContact O-CB 3.12Å; G24-V28 WeakPolarHBondContact O-CG2 3.32Å; G24-V28 PolarHBondContact O-N 2.71Å |
| 25 | I | 92.5 | Very high | 86.6 | Confident | 121 Ų | 121 | 88.5 Ų | 88.5 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.2 | -37.9 | 174.1 | -64.9 | 165.7 | 0 | 0 | 0 | 110.4 | S21 S29 | S21-I25 WeakPolarHBondContact O-CB 3.45Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.28Å; S21-I25 PolarHBondContact O-N 2.98Å; I25-S29 WeakPolarHBondContact O-CA 3.23Å; I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 2.79Å |
| 26 | F | 91.8 | Very high | 84.7 | Confident | 142 Ų | 142 | 92.2 Ų | 92.2 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 174.4 | -178.1 | -95 | 0 | 0 | 0 | 111.7 | A22 I23 T30 | A22-F26 WeakPolarHBondContact O-CB 3.18Å; A22-F26 PolarHBondContact O-N 2.91Å; I23-F26 PolarHBondContact O-N 2.69Å; F26-T30 HydrophobicContact CD1-CG2 4.48Å; F26-T30 HydrophobicContact CE1-CG2 4.33Å; F26-T30 WeakPolarHBondContact O-CA 3.38Å; F26-T30 WeakPolarHBondContact O-CB 3.28Å; F26-T30 WeakPolarHBondContact O-CG2 3.47Å; F26-T30 PolarHBondContact O-N 3.34Å |
| 27 | L | 91.9 | Very high | 82.9 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.2 | -49.1 | 175.8 | -74.9 | 174.2 | 0 | 0 | 0 | 111.5 | I23 G24 S29 F31 | I23-L27 HydrophobicContact CG2-CD1 3.86Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CB 3.12Å; I23-L27 VanDerWaalsContact O-CG 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.18Å; G24-L27 PolarHBondContact O-N 3.48Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.46Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.11Å; L27-F31 WeakPolarHBondContact O-CD2 3.32Å; L27-F31 PolarHBondContact O-N 2.81Å |
| 28 | V | 86.7 | Confident | 81 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -36.6 | 177.4 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | G24 S32 | G24-V28 WeakPolarHBondContact O-CB 3.12Å; G24-V28 WeakPolarHBondContact O-CG2 3.32Å; G24-V28 PolarHBondContact O-N 2.71Å; V28-S32 VanDerWaalsContact O-CB 3.23Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.77Å; V28-S32 PolarHBondContact O-OG 2.84Å |
| 29 | S | 86.9 | Confident | 79.5 | Confident | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -77.4 | -41 | 178.5 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | I25 L27 S32 M33 | I25-S29 WeakPolarHBondContact O-CA 3.23Å; I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 2.79Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.46Å; S29-S32 PolarHBondContact O-N 2.79Å; S29-M33 WeakPolarHBondContact O-CB 3.25Å; S29-M33 PolarHBondContact O-N 3.4Å |
| 30 | T | 81.3 | Confident | 77.7 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 29% | 0.288 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.7 | -33.2 | 174.9 | -155.8 | 0 | 0 | 0 | 0 | 111.9 | F26 K34 | F26-T30 HydrophobicContact CD1-CG2 4.48Å; F26-T30 HydrophobicContact CE1-CG2 4.33Å; F26-T30 WeakPolarHBondContact O-CA 3.38Å; F26-T30 WeakPolarHBondContact O-CB 3.28Å; F26-T30 WeakPolarHBondContact O-CG2 3.47Å; F26-T30 PolarHBondContact O-N 3.34Å; T30-K34 WeakPolarHBondContact O-CB 3.34Å; T30-K34 WeakPolarHBondContact O-CG 3.45Å; T30-K34 PolarHBondContact O-N 3.34Å |
| 31 | F | 76 | Confident | 76.2 | Confident | 105 Ų | 105 | 95 Ų | 95 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.6 | -49.1 | 166.6 | -89.6 | -97.3 | 0 | 0 | 0 | 111.1 | L27 M33 K34 E35 | L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.11Å; L27-F31 WeakPolarHBondContact O-CD2 3.32Å; L27-F31 PolarHBondContact O-N 2.81Å; F31-M33 PolarHBondContact O-N 3.13Å; F31-M33 VanDerWaalsContact O-N 3.13Å; F31-K34 CarbonylContact O-C 3.26Å; F31-K34 VanDerWaalsContact O-C 3.26Å; F31-K34 VanDerWaalsContact O-CA 3.23Å; F31-K34 WeakPolarHBondContact O-CA 2.95Å; F31-K34 WeakPolarHBondContact O-CB 3.42Å; F31-K34 PolarHBondContact O-N 2.8Å; F31-E35 WeakPolarHBondContact O-CG 3.42Å; F31-E35 PolarHBondContact O-N 3.31Å |
| 32 | S | 70.9 | Confident | 74.7 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58 | -33 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 113 | V28 S29 E35 T36 | V28-S32 VanDerWaalsContact O-CB 3.23Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.77Å; V28-S32 PolarHBondContact O-OG 2.84Å; S29-S32 PolarHBondContact O-N 2.79Å; S32-E35 PolarHBondContact O-N 2.89Å; S32-T36 PolarHBondContact O-N 2.82Å |
| 33 | M | 64.5 | Low | 73.4 | Confident | 154 Ų | 154 | 96.6 Ų | 96.6 | 76% | 0.759 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.6 | -22.9 | 173.3 | -170.5 | 171.6 | 171.5 | 0 | 0 | 112.9 | S29 F31 | S29-M33 WeakPolarHBondContact O-CB 3.25Å; S29-M33 PolarHBondContact O-N 3.4Å; F31-M33 PolarHBondContact O-N 3.13Å; F31-M33 VanDerWaalsContact O-N 3.13Å |
| 34 | K | 61.4 | Low | 72 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -84.3 | -18.7 | 162.9 | -73.9 | 170.5 | 60.6 | -166.7 | 0 | 113.7 | T30 F31 T36 S37 Y38 | T30-K34 WeakPolarHBondContact O-CB 3.34Å; T30-K34 WeakPolarHBondContact O-CG 3.45Å; T30-K34 PolarHBondContact O-N 3.34Å; F31-K34 CarbonylContact O-C 3.26Å; F31-K34 VanDerWaalsContact O-C 3.26Å; F31-K34 VanDerWaalsContact O-CA 3.23Å; F31-K34 WeakPolarHBondContact O-CA 2.95Å; F31-K34 WeakPolarHBondContact O-CB 3.42Å; F31-K34 PolarHBondContact O-N 2.8Å; K34-T36 VanDerWaalsContact C-N 3.26Å; K34-T36 PolarHBondContact O-N 2.77Å; K34-S37 CarbonylContact O-C 3.45Å; K34-S37 VanDerWaalsContact O-CA 3.28Å; K34-S37 WeakPolarHBondContact O-CA 3.11Å; K34-S37 VanDerWaalsContact O-CB 3.27Å; K34-S37 WeakPolarHBondContact O-CB 3.22Å; K34-S37 PolarHBondContact O-N 2.76Å; K34-Y38 PolarHBondContact O-N 2.76Å |
| 35 | E | 57.4 | Low | 70.7 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.7 | -178.3 | -62.3 | -97.7 | 106.1 | 0 | 0 | 111.7 | F31 S32 | F31-E35 WeakPolarHBondContact O-CG 3.42Å; F31-E35 PolarHBondContact O-N 3.31Å; S32-E35 PolarHBondContact O-N 2.89Å |
| 36 | T | 54.5 | Low | 69.3 | Low | 109 Ų | 109 | 101.1 Ų | 101.1 | 67% | 0.669 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -25.4 | 153.9 | -46.6 | 0 | 0 | 0 | 0 | 111.8 | S32 K34 E40 | S32-T36 PolarHBondContact O-N 2.82Å; K34-T36 VanDerWaalsContact C-N 3.26Å; K34-T36 PolarHBondContact O-N 2.77Å; T36-E40 PolarHBondContact O-N 2.81Å |
| 37 | S | 60.3 | Low | 68.1 | Low | 78 Ų | 78 | 98.5 Ų | 98.5 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -87.7 | -24.9 | -174.1 | -174.3 | 0 | 0 | 0 | 0 | 114.8 | K34 | K34-S37 CarbonylContact O-C 3.45Å; K34-S37 VanDerWaalsContact O-CA 3.28Å; K34-S37 WeakPolarHBondContact O-CA 3.11Å; K34-S37 VanDerWaalsContact O-CB 3.27Å; K34-S37 WeakPolarHBondContact O-CB 3.22Å; K34-S37 PolarHBondContact O-N 2.76Å |
| 38 | Y | 54 | Low | 66.4 | Low | 172 Ų | 172 | 100.6 Ų | 100.6 | 68% | 0.675 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -81.3 | -31.4 | 172 | -166.5 | -105.9 | 0 | 0 | 0 | 111.9 | K34 A41 | K34-Y38 PolarHBondContact O-N 2.76Å; Y38-A41 PolarHBondContact O-N 2.86Å |
| 39 | E | 64.9 | Low | 64.7 | Low | 136 Ų | 136 | 101.7 Ų | 101.7 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -50.1 | 171.6 | -149 | -70.2 | 142.8 | 0 | 0 | 110.4 | A41 L42 A43 | E39-A41 PolarHBondContact O-N 3.32Å; E39-A41 VanDerWaalsContact O-N 3.16Å; E39-L42 PolarHBondContact O-N 2.94Å; E39-A43 PolarHBondContact O-N 2.82Å |
| 40 | E | 60.3 | Low | 63.3 | Low | 96 Ų | 96 | 102 Ų | 102 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -23.9 | -179.9 | -147.2 | -158.6 | 158.6 | 0 | 0 | 113.4 | T36 N44 K47 | T36-E40 PolarHBondContact O-N 2.81Å; E40-N44 WeakPolarHBondContact O-CA 3.08Å; E40-N44 WeakPolarHBondContact O-CB 3.36Å; E40-N44 PolarHBondContact O-N 3.47Å; E40-N44 PolarHBondContact OE1-ND2 2.86Å; E40-K47 IonicContact OE1-NZ 3.06Å |
| 41 | A | 64.5 | Low | 62.2 | Low | 54 Ų | 54 | 106.3 Ų | 106.3 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.5 | -47 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y38 E39 N44 Q45 | Y38-A41 PolarHBondContact O-N 2.86Å; E39-A41 PolarHBondContact O-N 3.32Å; E39-A41 VanDerWaalsContact O-N 3.16Å; A41-N44 PolarHBondContact O-N 3.48Å; A41-Q45 PolarHBondContact O-N 3.32Å |
| 42 | L | 63.1 | Low | 61.1 | Low | 91 Ų | 91 | 106.5 Ų | 106.5 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70 | -35.4 | 177.1 | -131.4 | 80.1 | 0 | 0 | 0 | 111.5 | E39 | E39-L42 PolarHBondContact O-N 2.94Å |
| 43 | A | 67.4 | Low | 60.2 | Low | 37 Ų | 37 | 111.3 Ų | 111.3 | 31% | 0.306 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E39 R46 K47 | E39-A43 PolarHBondContact O-N 2.82Å; A43-R46 PolarHBondContact O-N 2.73Å; A43-K47 WeakPolarHBondContact O-CB 3.46Å; A43-K47 PolarHBondContact O-N 3Å |
| 44 | N | 65.6 | Low | 59.4 | Low | 51 Ų | 51 | 112 Ų | 112 | 27% | 0.273 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.5 | -39.6 | 180 | -85.6 | -25.3 | 0 | 0 | 0 | 112.7 | E40 A41 R46 K47 E48 | E40-N44 WeakPolarHBondContact O-CA 3.08Å; E40-N44 WeakPolarHBondContact O-CB 3.36Å; E40-N44 PolarHBondContact O-N 3.47Å; E40-N44 PolarHBondContact OE1-ND2 2.86Å; A41-N44 PolarHBondContact O-N 3.48Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 2.82Å; N44-K47 CarbonylContact O-C 3.57Å; N44-K47 PolarHBondContact O-N 2.81Å; N44-K47 VanDerWaalsContact O-N 3.17Å; N44-K47 WeakPolarHBondContact OD1-CD 3.39Å; N44-K47 VanDerWaalsContact OD1-CE 3.24Å; N44-K47 WeakPolarHBondContact OD1-CE 3.28Å; N44-K47 PolarHBondContact OD1-NZ 3.32Å; N44-E48 WeakPolarHBondContact O-CB 3.4Å; N44-E48 PolarHBondContact O-N 2.89Å |
| 45 | Q | 69.6 | Low | 58.8 | Low | 117 Ų | 117 | 115.4 Ų | 115.4 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59 | -44.7 | 177.1 | -160.5 | -147.9 | -10.1 | 0 | 0 | 111.5 | A41 M49 | A41-Q45 PolarHBondContact O-N 3.32Å; Q45-M49 HydrophobicContact CG-CE 4.09Å; Q45-M49 WeakPolarHBondContact O-CE 3.3Å; Q45-M49 WeakPolarHBondContact O-CG 3.43Å; Q45-M49 PolarHBondContact O-N 2.86Å |
| 46 | R | 62.7 | Low | 58.1 | Low | 173 Ų | 173 | 119.4 Ų | 119.4 | 65% | 0.653 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.2 | -38.1 | 176.5 | -68 | 177.1 | 175.3 | 143.9 | -1.1 | 112.6 | A43 N44 A50 | A43-R46 PolarHBondContact O-N 2.73Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 2.82Å; R46-A50 VanDerWaalsContact O-CB 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.34Å; R46-A50 PolarHBondContact O-N 2.92Å |
| 47 | K | 65.4 | Low | 57.7 | Low | 87 Ų | 87 | 116.8 Ų | 116.8 | 38% | 0.378 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.5 | -30.9 | -178.2 | 172.1 | -178.9 | 152.6 | -152.1 | 0 | 113 | E40 A43 N44 K51 | E40-K47 IonicContact OE1-NZ 3.06Å; A43-K47 WeakPolarHBondContact O-CB 3.46Å; A43-K47 PolarHBondContact O-N 3Å; N44-K47 CarbonylContact O-C 3.57Å; N44-K47 PolarHBondContact O-N 2.81Å; N44-K47 VanDerWaalsContact O-N 3.17Å; N44-K47 WeakPolarHBondContact OD1-CD 3.39Å; N44-K47 VanDerWaalsContact OD1-CE 3.24Å; N44-K47 WeakPolarHBondContact OD1-CE 3.28Å; N44-K47 PolarHBondContact OD1-NZ 3.32Å; K47-K51 HydrophobicContact CG-CD 4.05Å; K47-K51 WeakPolarHBondContact O-CB 3.33Å; K47-K51 WeakPolarHBondContact O-CG 3.43Å; K47-K51 PolarHBondContact O-N 3.43Å |
| 48 | E | 56.6 | Low | 56.9 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74 | -49.8 | 176.6 | -174.9 | -176.7 | 135 | 0 | 0 | 110.6 | N44 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.4Å; N44-E48 PolarHBondContact O-N 2.89Å; E48-A50 PolarHBondContact O-N 3.24Å; E48-K51 PolarHBondContact O-N 2.87Å; E48-T52 HydrophobicContact CG-CG2 4.34Å; E48-T52 WeakPolarHBondContact O-CG2 3.13Å; E48-T52 PolarHBondContact O-N 3.49Å; E48-T52 VanDerWaalsContact O-N 3.07Å; E48-T52 PolarHBondContact O-OG1 2.83Å |
| 49 | M | 52 | Low | 56.3 | Low | 123 Ų | 123 | 124.4 Ų | 124.4 | 61% | 0.606 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.6 | -28.3 | 173.8 | -65.6 | -170.9 | -59.9 | 0 | 0 | 112.3 | Q45 | Q45-M49 HydrophobicContact CG-CE 4.09Å; Q45-M49 WeakPolarHBondContact O-CE 3.3Å; Q45-M49 WeakPolarHBondContact O-CG 3.43Å; Q45-M49 PolarHBondContact O-N 2.86Å |
| 50 | A | 57.8 | Low | 55.1 | Low | 73 Ų | 73 | 127.9 Ų | 127.9 | 60% | 0.603 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -87.8 | -23.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R46 E48 | R46-A50 VanDerWaalsContact O-CB 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.34Å; R46-A50 PolarHBondContact O-N 2.92Å; E48-A50 PolarHBondContact O-N 3.24Å |
| 51 | K | 57.5 | Low | 54.3 | Low | 138 Ų | 138 | 132.5 Ų | 132.5 | 60% | 0.6 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -107.1 | -14.2 | -173.4 | -68.6 | -174.9 | 178.4 | -169 | 0 | 115.4 | K47 E48 H53 H54 | K47-K51 HydrophobicContact CG-CD 4.05Å; K47-K51 WeakPolarHBondContact O-CB 3.33Å; K47-K51 WeakPolarHBondContact O-CG 3.43Å; K47-K51 PolarHBondContact O-N 3.43Å; E48-K51 PolarHBondContact O-N 2.87Å; K51-H53 PolarHBondContact O-N 2.86Å; K51-H53 VanDerWaalsContact O-N 3.08Å; K51-H54 PolarHBondContact O-N 3.39Å; K51-H54 VanDerWaalsContact O-N 3.1Å |
| 52 | T | 52.1 | Low | 53.1 | Low | 109 Ų | 109 | 138.4 Ų | 138.4 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -17.7 | 174.4 | 36 | 0 | 0 | 0 | 0 | 113.9 | E48 | E48-T52 HydrophobicContact CG-CG2 4.34Å; E48-T52 WeakPolarHBondContact O-CG2 3.13Å; E48-T52 PolarHBondContact O-N 3.49Å; E48-T52 VanDerWaalsContact O-N 3.07Å; E48-T52 PolarHBondContact O-OG1 2.83Å |
| 53 | H | 52 | Low | 52.4 | Low | 169 Ų | 169 | 143 Ų | 143 | 78% | 0.782 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -26 | 174.4 | -167.7 | -100.6 | 0 | 0 | 0 | 114.7 | K51 | K51-H53 PolarHBondContact O-N 2.86Å; K51-H53 VanDerWaalsContact O-N 3.08Å |
| 54 | H | 49.3 | Very low | 51.4 | Low | 167 Ų | 167 | 150 Ų | 150 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 3.9 | -159 | -141.5 | -56.2 | 0 | 0 | 0 | 117.1 | K51 | K51-H54 PolarHBondContact O-N 3.39Å; K51-H54 VanDerWaalsContact O-N 3.1Å |
| 55 | Q | 46.8 | Very low | 50.3 | Low | 181 Ų | 181 | 154.3 Ų | 154.3 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | | | trans | -121.1 | 50.1 | 177.4 | -158.7 | -178.9 | 80.9 | 0 | 0 | 113 | | |
| 56 | K | 44.7 | Very low | 49.4 | Very low | 215 Ų | 215 | 155 Ų | 155 | 94% | 0.935 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -98.4 | 21.7 | 176.9 | -142.2 | 176 | -173.6 | 177.8 | 0 | 113.9 | | |
| 57 | G | 44.5 | Very low | 49 | Very low | 53 Ų | 53 | 156 Ų | 156 | 55% | 0.546 | 76% | 0.761 | S | S | . | * | | | trans | -132.1 | -175.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K59 | G57-K59 PolarHBondContact O-N 2.98Š|
| 58 | E | 44.2 | Very low | 48.1 | Very low | 205 Ų | 205 | 161.1 Ų | 161.1 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | | | trans | 62.2 | 37.1 | 169.6 | -54.7 | -160.4 | 102.4 | 0 | 0 | 117.8 | | |
| 59 | K | 42.3 | Very low | 47.3 | Very low | 206 Ų | 206 | 164.9 Ų | 164.9 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -84.6 | 134.4 | 144.7 | -81 | -175.4 | 177.2 | 176.7 | 0 | 109.7 | G57 | G57-K59 PolarHBondContact O-N 2.98Š|
| 60 | K | 39.7 | Very low | 47.2 | Very low | 208 Ų | 208 | 163 Ų | 163 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 88.1 | 109.2 | 161.8 | -153.9 | 176.2 | -172.8 | 176.9 | 0 | 117.1 | | |
| 61 | K | 41.9 | Very low | 46.3 | Very low | 194 Ų | 194 | 169.2 Ų | 169.2 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | 100.1 | 84.8 | 145.1 | -159.7 | -176.2 | 179 | -170.6 | 0 | 120.4 | | |
| 62 | K | 39.5 | Very low | 45.7 | Very low | 177 Ų | 177 | 169.3 Ų | 169.3 | 77% | 0.77 | 84% | 0.835 | S | S | * | * | | | | 60.9 | 92.2 | 125.8 | -175 | -142.5 | 177 | -176.4 | 0 | 119.4 | | |
| 63 | E | 48.2 | Very low | 45.2 | Very low | 187 Ų | 187 | 173.4 Ų | 173.4 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | | | trans | -154.1 | 123.5 | 137 | -108.9 | 163.9 | 125 | 0 | 0 | 107.9 | | |
| 64 | K | 47.1 | Very low | 44.8 | Very low | 185 Ų | 185 | 174.9 Ų | 174.9 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | | | | 68 | 90.8 | 66.9 | -92.7 | -160.4 | 173.1 | -164.7 | 0 | 115 | V66 | K64-V66 PolarHBondContact O-N 2.91Š|
| 65 | T | 42.2 | Very low | 44.6 | Very low | 141 Ų | 141 | 174.8 Ų | 174.8 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | | | trans | -9.7 | 111.4 | 140.3 | -46.8 | 0 | 0 | 0 | 0 | 116 | | |
| 66 | V | 51.5 | Low | 44.3 | Very low | 133 Ų | 133 | 174.8 Ų | 174.8 | 81% | 0.806 | 85% | 0.845 | S | S | * | * | | | trans | -165.9 | 114.3 | 135 | 134.3 | 0 | 0 | 0 | 0 | 109.2 | K64 | K64-V66 PolarHBondContact O-N 2.91Š|
| 67 | E | 53.8 | Low | 44.3 | Very low | 194 Ų | 194 | 172.1 Ų | 172.1 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | | | trans | -96.5 | 107.7 | 168.3 | -69.1 | -171.5 | 107.6 | 0 | 0 | 109.7 | | |
| 68 | K | 46 | Very low | 44.4 | Very low | 194 Ų | 194 | 178.9 Ų | 178.9 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | | | trans | -169.6 | 138.1 | 156.7 | -114.9 | 156.6 | -173.7 | 170.1 | 0 | 114.3 | | |
| 69 | K | 41.1 | Very low | 45.4 | Very low | 211 Ų | 211 | 175.4 Ų | 175.4 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | | | trans | 65.1 | 114.8 | 166.7 | -63.4 | -177 | 174.1 | -177.7 | 0 | 117.8 | | |
| 70 | G | 49.3 | Very low | 45.3 | Very low | 82 Ų | 82 | 173.6 Ų | 173.6 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | | | trans | -174.6 | 113.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 71 | K | 39.5 | Very low | 45.8 | Very low | 205 Ų | 205 | 166.7 Ų | 166.7 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | | | trans | -137.1 | 81.4 | -166.9 | -173.5 | -172 | 173.7 | 178.7 | 0 | 113.4 | | |
| 72 | T | 45.1 | Very low | 46.2 | Very low | 140 Ų | 140 | 166.9 Ų | 166.9 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | | | trans | -162 | 122.8 | 168.5 | 10.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 73 | K | 39.7 | Very low | 47.4 | Very low | 194 Ų | 194 | 166 Ų | 166 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | | | cis | 92.7 | 73.2 | 29.1 | -164.1 | -161.5 | 178.3 | -178.4 | 0 | 115.1 | | |
| 74 | K | 44.3 | Very low | 48.5 | Very low | 201 Ų | 201 | 162.8 Ų | 162.8 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | 177.4 | 152.7 | 132.8 | -106.5 | -177 | 174.6 | -173.6 | 0 | 113 | | |
| 75 | K | 44.4 | Very low | 48.8 | Very low | 164 Ų | 164 | 163.2 Ų | 163.2 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | | | trans | 57 | 130.6 | 174.7 | -80.3 | -160.5 | 159.5 | -152.7 | 0 | 116.3 | E77 | K75-E77 IonicContact NZ-OE2 3.6Å; K75-E77 PolarHBondContact NZ-OE2 3.32Å |
| 76 | E | 41.1 | Very low | 49.4 | Very low | 181 Ų | 181 | 165.5 Ų | 165.5 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | | | cis | 68.4 | 94 | 16.2 | -158.5 | -166.2 | 162.1 | 0 | 0 | 115.7 | | |
| 77 | E | 44.5 | Very low | 49 | Very low | 159 Ų | 159 | 165.7 Ų | 165.7 | 74% | 0.743 | 83% | 0.833 | S | S | * | * | | | trans | -158.4 | 146.6 | 138.8 | -138.5 | 160.2 | 103.7 | 0 | 0 | 109.9 | K75 | K75-E77 IonicContact NZ-OE2 3.6Å; K75-E77 PolarHBondContact NZ-OE2 3.32Å |
| 78 | K | 46.7 | Very low | 49.1 | Very low | 196 Ų | 196 | 164.7 Ų | 164.7 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | | | trans | -113.3 | 117.1 | 177.1 | -73 | -177.9 | -179.3 | 177.7 | 0 | 110.6 | N80 | K78-N80 PolarHBondContact O-N 3.18Š|
| 79 | P | 66.4 | Low | 49.3 | Very low | 132 Ų | 132 | 161.5 Ų | 161.5 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | | | trans | -80.4 | 104.1 | 158.2 | 30.8 | -28.9 | 0 | 0 | 0 | 109.2 | | |
| 80 | N | 39.4 | Very low | 49.9 | Very low | 168 Ų | 168 | 157.1 Ų | 157.1 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | | | trans | -79.8 | 124 | 174.5 | -170.3 | 3.6 | 0 | 0 | 0 | 109.5 | K78 | K78-N80 PolarHBondContact O-N 3.18Š|
| 81 | G | 50.2 | Low | 49.9 | Very low | 62 Ų | 62 | 159 Ų | 159 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | | | trans | -154.6 | 79.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 82 | K | 51.1 | Low | 50.8 | Low | 199 Ų | 199 | 155.9 Ų | 155.9 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | 55.8 | 92.3 | 149.9 | -54.8 | -169.3 | -179.8 | -170.3 | 0 | 118.5 | | |
| 83 | I | 64 | Low | 51 | Low | 157 Ų | 157 | 154.4 Ų | 154.4 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | | | trans | 17.3 | 118.3 | 130.2 | -51.5 | 167.5 | 0 | 0 | 0 | 115.9 | | |
| 84 | P | 70.7 | Confident | 51.7 | Low | 120 Ų | 120 | 152.8 Ų | 152.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -65.6 | 136.7 | 164.9 | -16.8 | 31 | 0 | 0 | 0 | 111.6 | H86 | P84-H86 PolarHBondContact O-N 3.41Š|
| 85 | E | 53.8 | Low | 52.2 | Low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | -67.4 | 121.2 | 171.1 | -69 | -176.8 | 122.6 | 0 | 0 | 110.3 | | |
| 86 | H | 55.6 | Low | 52.5 | Low | 190 Ų | 190 | 149.2 Ų | 149.2 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | trans | -103 | 80.9 | 164.5 | 176.4 | -68.2 | 0 | 0 | 0 | 107.4 | P84 | P84-H86 PolarHBondContact O-N 3.41Š|
| 87 | D | 42 | Very low | 53.1 | Low | 136 Ų | 136 | 150.3 Ų | 150.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -146.8 | 113.3 | 168 | -159.7 | -77 | 0 | 0 | 0 | 109.3 | | |
| 88 | L | 57 | Low | 53.1 | Low | 174 Ų | 174 | 149 Ų | 149 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -163.4 | 102.8 | 161.4 | -114.8 | 168.5 | 0 | 0 | 0 | 108.8 | | |
| 89 | D | 49.8 | Very low | 53.3 | Low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | trans | -54.3 | 142.7 | -163.7 | -162.7 | -91.3 | 0 | 0 | 0 | 116.8 | N91 | D89-N91 PolarHBondContact O-N 2.91Š|
| 90 | P | 54.5 | Low | 52.3 | Low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -91.7 | 61.7 | -170.5 | 38.2 | -37.9 | 0 | 0 | 0 | 114.7 | | |
| 91 | N | 48.6 | Very low | 52.7 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | | | trans | -147.9 | 56 | -179.7 | -144.9 | -99 | 0 | 0 | 0 | 119.6 | D89 | D89-N91 PolarHBondContact O-N 2.91Š|
| 92 | V | 58.8 | Low | 52.5 | Low | 140 Ų | 140 | 148.3 Ų | 148.3 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -140.3 | 108.4 | 161.7 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 93 | T | 48.4 | Very low | 52.2 | Low | 110 Ų | 110 | 144.2 Ų | 144.2 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | 152.9 | 63.1 | 143.5 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | I95 | T93-I95 HydrophobicContact CG2-CB 4.38Å; T93-I95 HydrophobicContact CG2-CD1 4.33Å; T93-I95 HydrophobicContact CG2-CG1 4.16Å; T93-I95 PolarHBondContact O-N 2.87Å |
| 94 | I | 53.8 | Low | 51.3 | Low | 159 Ų | 159 | 141.2 Ų | 141.2 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | | | trans | -85.2 | 86 | 162.8 | -59.9 | 178.1 | 0 | 0 | 0 | 107 | | |
| 95 | I | 56 | Low | 50.6 | Low | 136 Ų | 136 | 142.5 Ų | 142.5 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | | | trans | -122.6 | 83.9 | 176.9 | -58 | -174 | 0 | 0 | 0 | 111.1 | T93 | T93-I95 HydrophobicContact CG2-CB 4.38Å; T93-I95 HydrophobicContact CG2-CD1 4.33Å; T93-I95 HydrophobicContact CG2-CG1 4.16Å; T93-I95 PolarHBondContact O-N 2.87Å |
| 96 | L | 50.7 | Low | 50.1 | Low | 155 Ų | 155 | 137.2 Ų | 137.2 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | | 63.6 | 60.5 | 125.1 | -160 | 70.1 | 0 | 0 | 0 | 118.7 | | |
| 97 | K | 54.2 | Low | 50.1 | Low | 203 Ų | 203 | 135.1 Ų | 135.1 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -155 | 51.7 | 157.9 | -138.5 | 72.1 | 176.9 | -178.4 | 0 | 118 | | |
| 98 | E | 43.1 | Very low | 50.1 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | | | trans | -71.7 | 170.5 | 145.7 | -124.2 | -130.8 | 121.2 | 0 | 0 | 108.4 | R101 | E98-R101 IonicContact OE1-CZ 3.15Å; E98-R101 IonicContact OE1-NE 3.57Å; E98-R101 PolarHBondContact OE1-NE 3.16Å; E98-R101 IonicContact OE1-NH2 3.33Å; E98-R101 PolarHBondContact OE1-NH2 3.17Å; E98-R101 VanDerWaalsContact OE1-NH2 3.15Å; E98-R101 IonicContact OE2-NH2 2.69Å; E98-R101 PolarHBondContact OE2-NH2 3.27Å |
| 99 | P | 50.4 | Low | 49.7 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | | | cis | -134.5 | -168.5 | 10.1 | 35.9 | -13.7 | 0 | 0 | 0 | 115.9 | | |
| 100 | V | 45.7 | Very low | 49.5 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | 76.5 | 88.5 | 170.4 | -167.7 | 0 | 0 | 0 | 0 | 114 | | |
| 101 | R | 48.7 | Very low | 49.2 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 70% | 0.698 | 76% | 0.76 | S | S | * | * | | | | 71.6 | 101.5 | 59 | -54.2 | -179.8 | -162.9 | -168 | 5.8 | 113.1 | E98 | E98-R101 IonicContact OE1-CZ 3.15Å; E98-R101 IonicContact OE1-NE 3.57Å; E98-R101 PolarHBondContact OE1-NE 3.16Å; E98-R101 IonicContact OE1-NH2 3.33Å; E98-R101 PolarHBondContact OE1-NH2 3.17Å; E98-R101 VanDerWaalsContact OE1-NH2 3.15Å; E98-R101 IonicContact OE2-NH2 2.69Å; E98-R101 PolarHBondContact OE2-NH2 3.27Å |
| 102 | V | 46.1 | Very low | 49.1 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | | | | 75.4 | 109.9 | 97.5 | 173.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 103 | S | 43.4 | Very low | 48.7 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | | -166.4 | 151.5 | 119.7 | -166.5 | 0 | 0 | 0 | 0 | 110 | | |
| 104 | A | 45.2 | Very low | 48.2 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -118.5 | 151.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 105 | V | 56.6 | Low | 47.6 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | trans | -126.8 | 126.5 | 163 | 175.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 106 | A | 44.3 | Very low | 47.1 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | trans | -115.2 | -164.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 107 | V | 55.8 | Low | 46.8 | Very low | 146 Ų | 146 | 123.3 Ų | 123.3 | 89% | 0.885 | 75% | 0.753 | S | S | * | * | | | trans | 76.7 | 129 | -178.3 | -171.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 108 | A | 41.8 | Very low | 46.6 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | | | cis | -160 | 156.3 | -22.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 109 | P | 48.7 | Very low | 46.3 | Very low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | | | trans | -97.9 | 133.4 | 177.8 | 35.3 | -31 | 0 | 0 | 0 | 113.2 | | |
| 110 | T | 45.3 | Very low | 46.3 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | | | trans | -163.4 | 113.3 | 163.5 | -13 | 0 | 0 | 0 | 0 | 112.9 | | |
| 111 | S | 46.8 | Very low | 46.1 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | -173.4 | 77.2 | 161.8 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 112 | V | 47.2 | Very low | 46 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | | 67.4 | 131 | 93.2 | -52.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 113 | H | 50 | Low | 45.9 | Very low | 184 Ų | 184 | 119.6 Ų | 119.6 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | trans | 63.8 | 145.8 | 171.6 | -77.6 | -125.6 | 0 | 0 | 0 | 118.6 | | |
| 114 | S | 39 | Very low | 46.3 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | cis | 140.5 | 98 | -20.6 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 115 | S | 40.5 | Very low | 46.5 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -160.6 | 123 | 155.9 | -157.5 | 0 | 0 | 0 | 0 | 105.4 | | |
| 116 | V | 46.4 | Very low | 45.7 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | | | cis | 67.2 | 125.7 | 40.2 | -168 | 0 | 0 | 0 | 0 | 111.5 | | |
| 117 | G | 44.1 | Very low | 46.2 | Very low | 64 Ų | 64 | 123.5 Ų | 123.5 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | 125.6 | 58.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 118 | H | 49.4 | Very low | 45.7 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | | | | 72.7 | 93.3 | 89.2 | -61.1 | 174.7 | 0 | 0 | 0 | 114.5 | | |
| 119 | T | 37.2 | Very low | 45.9 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -73.9 | 150.7 | 155.1 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 120 | P | 49.4 | Very low | 45.5 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | | | | -147.7 | 163.5 | 100.3 | 38.7 | -23.1 | 0 | 0 | 0 | 117.6 | | |
| 121 | I | 42.8 | Very low | 45.2 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | | | trans | -42.8 | 137.9 | 168.8 | -62.1 | 148.2 | 0 | 0 | 0 | 115.8 | | |
| 122 | A | 47 | Very low | 45.1 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -168.3 | 165.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 123 | T | 42.9 | Very low | 44.8 | Very low | 112 Ų | 112 | 127 Ų | 127 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | | -172.4 | 100.6 | -64.3 | -88.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 124 | V | 51.8 | Low | 44.7 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | 61.7 | 176.6 | 162.2 | -108.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 125 | P | 49.6 | Very low | 45 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | trans | -134.2 | -168.9 | -133.1 | 45.4 | -25.1 | 0 | 0 | 0 | 116.3 | | |
| 126 | A | 40.8 | Very low | 45 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | | | | 150.1 | 125.3 | 124.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 127 | M | 55 | Low | 45.4 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | | | trans | 61.6 | 175.7 | 142.4 | -76 | -170.2 | 166.3 | 0 | 0 | 120.1 | | |
| 128 | P | 45.3 | Very low | 45.8 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | | -132.3 | -152.7 | -51.2 | 39 | -21.7 | 0 | 0 | 0 | 112.8 | | |
| 129 | Q | 44.7 | Very low | 45.9 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | | | trans | 78.2 | 112.1 | 172.8 | -68.1 | -179 | -112.9 | 0 | 0 | 116.8 | | |
| 130 | E | 40 | Very low | 46.7 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | | 110.3 | 158.2 | 85.9 | -85.3 | -168.2 | 123.8 | 0 | 0 | 109.3 | | |
| 131 | K | 39.4 | Very low | 47 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | | | cis | -152.7 | 176.1 | 12.9 | -160.6 | 153.6 | -83 | 175.3 | 0 | 110.7 | | |
| 132 | L | 44.5 | Very low | 47.6 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | | | trans | 75.8 | 113 | 166.7 | -54 | 172.2 | 0 | 0 | 0 | 116.3 | | |
| 133 | A | 40.5 | Very low | 47.9 | Very low | 82 Ų | 82 | 143 Ų | 143 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | | 87.2 | 93.3 | 59.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 134 | S | 47.9 | Very low | 48.4 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | | 84.2 | 109 | 69.6 | 70.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 135 | S | 45.8 | Very low | 48 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -170.8 | 94.3 | 155.6 | -86.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 136 | P | 41 | Very low | 47.9 | Very low | 132 Ų | 132 | 149.4 Ų | 149.4 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | | | trans | -83.5 | 145.7 | 165.5 | -2.2 | 21.4 | 0 | 0 | 0 | 110.8 | | |
| 137 | K | 55.5 | Low | 48.6 | Very low | 213 Ų | 213 | 149.4 Ų | 149.4 | 93% | 0.926 | 76% | 0.762 | S | S | * | * | | | trans | -134.4 | 117 | 174.9 | -150.8 | 164.2 | -170.2 | 169.5 | 0 | 112.5 | | |
| 138 | D | 51 | Low | 48.1 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | -66.7 | 143.4 | -174.3 | -172 | -80 | 0 | 0 | 0 | 113.8 | | |
| 139 | R | 51.8 | Low | 48.1 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | | | trans | -166.5 | 92.3 | 136.1 | -101.8 | 153.6 | -163.2 | -142.1 | 3 | 116 | | |
| 140 | K | 54.5 | Low | 47.9 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | | 72.2 | 113.1 | 115.7 | -165.5 | 167.2 | -174.2 | 170.5 | 0 | 122 | | |
| 141 | K | 55 | Low | 48.3 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 80.7 | 126.7 | 140.7 | -163.4 | 175.1 | -178 | -178.9 | 0 | 116.4 | | |
| 142 | K | 55.7 | Low | 48.6 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | cis | -152.9 | 152.9 | 43.6 | -162.9 | 176.9 | 176.8 | -174.5 | 0 | 115 | | |
| 143 | E | 53.2 | Low | 48.6 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | | | trans | -40.3 | 168.3 | 169.8 | -47.5 | 147 | 71.7 | 0 | 0 | 116.8 | | |
| 144 | K | 53.1 | Low | 49.2 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 74% | 0.735 | 79% | 0.791 | S | S | * | * | | | cis | -170.9 | 135.9 | 35.8 | -156.4 | 167.8 | -171.3 | 172.1 | 0 | 114.6 | | |
| 145 | K | 44.4 | Very low | 49.2 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 41.2 | 148.2 | 154.7 | -65.3 | -166.1 | 174.1 | -169.3 | 0 | 120 | | |
| 146 | V | 47.9 | Very low | 49.4 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | cis | -148.4 | 165.8 | 47.7 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 147 | A | 53.8 | Low | 49.7 | Very low | 84 Ų | 84 | 152.1 Ų | 152.1 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | -21.6 | 139 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 148 | K | 45.5 | Very low | 49.6 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | cis | 66.5 | 87.2 | 48 | -169.6 | 171.3 | 177.8 | 169.6 | 0 | 115.3 | | |
| 149 | V | 45.4 | Very low | 49.7 | Very low | 150 Ų | 150 | 147 Ų | 147 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -135.7 | 162.2 | 137.8 | 167.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 150 | E | 40.7 | Very low | 49.7 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -103.2 | -161.5 | -163 | -142.8 | -163.8 | 130.4 | 0 | 0 | 113.5 | | |
| 151 | P | 48.5 | Very low | 49.6 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | | -108.6 | 159.9 | -120.6 | 39.6 | -26.1 | 0 | 0 | 0 | 115 | | |
| 152 | A | 45 | Very low | 49.1 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -140.1 | 119.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 153 | V | 45.2 | Very low | 48.7 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -62.3 | 145.9 | 161.8 | -80.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 154 | S | 51.3 | Low | 48.4 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -177.2 | 149.9 | 137.4 | -89.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 155 | S | 49.7 | Very low | 48.1 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | 54.5 | 107.8 | 146.3 | -161.5 | 0 | 0 | 0 | 0 | 120 | | |
| 156 | I | 48.6 | Very low | 48.4 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -174.8 | -27.4 | 131.3 | -100.1 | 157.1 | 0 | 0 | 0 | 111 | N158 | I156-N158 VanDerWaalsContact C-N 3.34Å; I156-N158 PolarHBondContact O-N 3.02Å |
| 157 | V | 47.3 | Very low | 48.3 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -90.8 | 45.8 | -175.1 | -160.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 158 | N | 53.4 | Low | 47.9 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -157 | 64.3 | 176.5 | -164.5 | 10.7 | 0 | 0 | 0 | 114.2 | I156 | I156-N158 VanDerWaalsContact C-N 3.34Å; I156-N158 PolarHBondContact O-N 3.02Å |
| 159 | S | 53.4 | Low | 48.2 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -141.7 | 0.1 | 179.4 | -165.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 160 | I | 52.2 | Low | 48.4 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -105.3 | -9.2 | -174.9 | -56.7 | -178.4 | 0 | 0 | 0 | 112.6 | | |
| 161 | Q | 51.5 | Low | 48.3 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -99.5 | 11.8 | -177 | -72.7 | -160.3 | 60.2 | 0 | 0 | 115.9 | | |
| 162 | V | 44.6 | Very low | 48.2 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -121.5 | 42.7 | -170.5 | -158.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 163 | L | 47 | Very low | 48 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -152.3 | 45.3 | 173.8 | -155.4 | 70.1 | 0 | 0 | 0 | 115.4 | | |
| 164 | A | 46.9 | Very low | 47.9 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -152.5 | 80.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 165 | S | 48 | Very low | 47.6 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -158.3 | 124.3 | 178.3 | -85.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 166 | K | 50.2 | Low | 47.2 | Very low | 196 Ų | 196 | 141 Ų | 141 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | 75.1 | 154.2 | 162.3 | -57.9 | 169.9 | 178.9 | -72.6 | 0 | 117.4 | | |
| 167 | S | 46.1 | Very low | 46.6 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | 67.6 | 144.1 | -173.6 | 78.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 168 | A | 45.6 | Very low | 46.4 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | cis | -147.8 | 132.1 | -5.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 169 | I | 52 | Low | 45.9 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | | 84.9 | 114.5 | 87.5 | -70.9 | 175.1 | 0 | 0 | 0 | 114.1 | | |
| 170 | L | 49 | Very low | 45.3 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | | | trans | 64.8 | 129.9 | 158.5 | -60.1 | 170.5 | 0 | 0 | 0 | 117.7 | | |
| 171 | E | 38.4 | Very low | 44.8 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | cis | 92.9 | 98.3 | 46.3 | -171 | -167.1 | 136.4 | 0 | 0 | 113 | | |
| 172 | A | 46.8 | Very low | 44.5 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -171.9 | 138 | 155 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 173 | T | 40.7 | Very low | 44.6 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -165.1 | 165.9 | -177.2 | -42.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 174 | P | 43.5 | Very low | 44.7 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | | | | -120.8 | -167.9 | -62.6 | 40.8 | -26.2 | 0 | 0 | 0 | 113 | | |
| 175 | K | 43.8 | Very low | 44.9 | Very low | 182 Ų | 182 | 138 Ų | 138 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 71.8 | 167.3 | 170.1 | -54.1 | 163.4 | -179.2 | -176.2 | 0 | 114.3 | | |
| 176 | E | 41.2 | Very low | 44.8 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | cis | -141.1 | 171.5 | 1.4 | -151.5 | 158.7 | 100.9 | 0 | 0 | 110.5 | | |
| 177 | G | 37.9 | Very low | 44.6 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -118.1 | 164.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 178 | Q | 42.8 | Very low | 44.8 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -142.8 | 131.3 | 165.3 | -80.8 | 173.3 | 5.3 | 0 | 0 | 107.6 | | |
| 179 | K | 41.3 | Very low | 44.9 | Very low | 201 Ų | 201 | 138 Ų | 138 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | | 58 | 141.5 | 82.5 | -51.4 | -136.3 | -171.7 | -174 | 0 | 114.3 | | |
| 180 | A | 42.5 | Very low | 44.9 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | cis | -171.6 | 141 | -24.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 181 | S | 40.9 | Very low | 44.9 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | | | trans | -149.6 | 174.7 | 174.3 | -162.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 182 | M | 45.8 | Very low | 45.5 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | | | trans | -159.5 | 165.6 | -146.1 | -167.5 | 79.5 | 154.7 | 0 | 0 | 112.2 | | |
| 183 | V | 46.3 | Very low | 45.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | | | trans | 76.3 | 142.9 | 164.7 | -158 | 0 | 0 | 0 | 0 | 114.6 | | |
| 184 | Q | 49.4 | Very low | 46.3 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | cis | -139.9 | 141.9 | 7.9 | -135.3 | 138.5 | 6.7 | 0 | 0 | 109.4 | | |
| 185 | S | 51 | Low | 46.6 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | | | | 47.1 | 136.7 | 91.1 | -107.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 186 | Q | 45.3 | Very low | 47.1 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | cis | -158.7 | -160.9 | -7.2 | -126.6 | 178.6 | 119 | 0 | 0 | 108.3 | | |
| 187 | E | 46.4 | Very low | 47.5 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | cis | -154.2 | -147 | 11 | -148.5 | -164 | 112.6 | 0 | 0 | 111.9 | | |
| 188 | A | 49.1 | Very low | 48.3 | Very low | 79 Ų | 79 | 144.9 Ų | 144.9 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | | | trans | -152.2 | -153.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 189 | P | 49.1 | Very low | 48.8 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | cis | -136.8 | -161.7 | -19.7 | 32.8 | -8.6 | 0 | 0 | 0 | 114.9 | | |
| 190 | K | 51.2 | Low | 49.5 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | 82.8 | 152.9 | 160.5 | -64.9 | 168.5 | -177.3 | 175 | 0 | 119.5 | | |
| 191 | Q | 48.6 | Very low | 50.2 | Low | 148 Ų | 148 | 134.9 Ų | 134.9 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | cis | -169 | 172.9 | -26.6 | -159.9 | -179.7 | -75.8 | 0 | 0 | 110.5 | | |
| 192 | D | 52.5 | Low | 50.6 | Low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | 89.8 | 146.7 | 153.9 | -58.6 | -50.3 | 0 | 0 | 0 | 123.2 | | |
| 193 | A | 46.3 | Very low | 51.1 | Low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -158.3 | 156.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 194 | P | 56.9 | Low | 51.3 | Low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | | -160.6 | 150.5 | 108.8 | 38.4 | -18.1 | 0 | 0 | 0 | 120.1 | | |
| 195 | A | 49.4 | Very low | 51.7 | Low | 92 Ų | 92 | 141.6 Ų | 141.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | trans | 20.9 | 140 | 144.3 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 196 | K | 54.4 | Low | 52.3 | Low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | | | | -175.9 | 119.1 | 129.6 | -101.3 | 152.9 | -171.7 | 169.4 | 0 | 117.9 | | |
| 197 | K | 51.4 | Low | 53.3 | Low | 191 Ų | 191 | 143.9 Ų | 143.9 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | 57.6 | 145.5 | 134.8 | -64.5 | -173.1 | 175.9 | -175.8 | 0 | 124.9 | | |
| 198 | K | 54 | Low | 54.6 | Low | 200 Ų | 200 | 141.3 Ų | 141.3 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | | | trans | 74.7 | 149.8 | 157.8 | -76.6 | -168 | 174.7 | -176.3 | 0 | 118.3 | | |
| 199 | S | 53.7 | Low | 55.2 | Low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | cis | -172 | 137.8 | -17.3 | 49.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 200 | G | 54.5 | Low | 55.5 | Low | 79 Ų | 79 | 149.8 Ų | 149.8 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | | | trans | 78.7 | 171.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 201 | S | 57.5 | Low | 55.7 | Low | 90 Ų | 90 | 148 Ų | 148 | 63% | 0.629 | 82% | 0.824 | S | S | * | * | | | cis | -172.6 | 128.8 | -13.1 | 155.2 | 0 | 0 | 0 | 0 | 112 | | |
| 202 | R | 49.5 | Very low | 56.1 | Low | 241 Ų | 241 | 148 Ų | 148 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | | | trans | 68.8 | 162.9 | 169.6 | -56.6 | 161.1 | -153.1 | -148.8 | -0.3 | 113.8 | | |
| 203 | K | 57 | Low | 56.4 | Low | 205 Ų | 205 | 148.5 Ų | 148.5 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | | | cis | -140.9 | 142.4 | 12.5 | -167.5 | -178 | -180 | -169.9 | 0 | 110.5 | | |
| 204 | K | 49.9 | Very low | 57 | Low | 213 Ų | 213 | 152.1 Ų | 152.1 | 93% | 0.926 | 84% | 0.842 | S | S | * | * | | | trans | -136.4 | 138.5 | 171.9 | -179.7 | -176.2 | 179.6 | -177.1 | 0 | 107.9 | | |
| 205 | G | 59 | Low | 57 | Low | 64 Ų | 64 | 153.7 Ų | 153.7 | 66% | 0.66 | 84% | 0.843 | S | S | * | * | | | trans | 146 | 98.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 206 | E | 63.6 | Low | 57.5 | Low | 179 Ų | 179 | 158.1 Ų | 158.1 | 84% | 0.836 | 85% | 0.849 | S | S | * | * | | | | -164.9 | 135.5 | 127.9 | -101.7 | 173.2 | 96.2 | 0 | 0 | 106.4 | | |
| 207 | P | 66.4 | Low | 57.8 | Low | 129 Ų | 129 | 155.2 Ų | 155.2 | 84% | 0.838 | 85% | 0.848 | S | S | * | * | | | | -134.5 | 156.7 | 110.3 | 38.4 | -29.6 | 0 | 0 | 0 | 112.4 | | |
| 208 | V | 72.7 | Confident | 58.3 | Low | 116 Ų | 116 | 152.2 Ų | 152.2 | 70% | 0.703 | 85% | 0.85 | S | S | * | * | | | trans | -140.2 | 134.3 | 176 | 179 | 0 | 0 | 0 | 0 | 108.5 | | |
| 209 | C | 62 | Low | 58.7 | Low | 204 Ų | 204 | 147.8 Ų | 147.8 | 100% | 1.378 | 85% | 0.848 | S | S | * | * | | | trans | 65.6 | 0 | -173.4 | -62.7 | 0 | 0 | 0 | 0 | 114.7 | | |