| 1 | M | 50.3 | Low | 45.2 | Very low | 239 Ų | 239 | 108.5 Ų | 108.5 | 100% | 1.177 | 87% | 0.865 | S | S | * | * | | | | 0 | 153.8 | 0 | -67.6 | 164.4 | 77 | 0 | 0 | 108.5 | | |
| 2 | S | 44.9 | Very low | 44.5 | Very low | 130 Ų | 130 | 106.5 Ų | 106.5 | 91% | 0.909 | 87% | 0.865 | S | S | * | * | | | trans | -1.5 | 143.9 | 166.8 | -43 | 0 | 0 | 0 | 0 | 121.8 | | |
| 3 | G | 46.7 | Very low | 44.3 | Very low | 65 Ų | 65 | 104.7 Ų | 104.7 | 67% | 0.67 | 86% | 0.864 | S | S | * | * | | | trans | 122.9 | 94.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 4 | S | 48.3 | Very low | 44.2 | Very low | 134 Ų | 134 | 105 Ų | 105 | 94% | 0.937 | 86% | 0.857 | S | S | * | * | | | | 60.8 | 121.8 | 56.4 | -46.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 5 | G | 44.4 | Very low | 44.2 | Very low | 70 Ų | 70 | 106.8 Ų | 106.8 | 72% | 0.722 | 86% | 0.861 | S | S | * | * | | | cis | 145.3 | 98.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 6 | T | 51.8 | Low | 44.2 | Very low | 152 Ų | 152 | 104.8 Ų | 104.8 | 93% | 0.933 | 86% | 0.856 | S | S | * | * | | | trans | -174.4 | 156.8 | 167.3 | 24.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 7 | G | 40.8 | Very low | 43.9 | Very low | 80 Ų | 80 | 103.9 Ų | 103.9 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | | | cis | 154.6 | 59.1 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 8 | G | 45.7 | Very low | 43.8 | Very low | 82 Ų | 82 | 102.4 Ų | 102.4 | 85% | 0.845 | 86% | 0.856 | S | S | * | * | | | trans | 168.5 | 142.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 9 | G | 38.7 | Very low | 44.2 | Very low | 82 Ų | 82 | 103.3 Ų | 103.3 | 85% | 0.845 | 86% | 0.855 | S | S | * | * | | | cis | 138.5 | 92.7 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 10 | G | 43 | Very low | 44.2 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 87% | 0.866 | 85% | 0.85 | S | S | * | * | | | trans | 92.8 | 139.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 11 | G | 42.3 | Very low | 44.7 | Very low | 76 Ų | 76 | 108.7 Ų | 108.7 | 78% | 0.784 | 85% | 0.854 | S | S | * | * | | | cis | -172.7 | 133.1 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G13 | G11-G13 PolarHBondContact O-N 3.43Š|
| 12 | G | 36.5 | Very low | 45 | Very low | 84 Ų | 84 | 99.9 Ų | 99.9 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | trans | -75.9 | 100.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S14 | G12-S14 PolarHBondContact O-N 3.01Š|
| 13 | G | 42 | Very low | 45.7 | Very low | 83 Ų | 83 | 101.2 Ų | 101.2 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | -90 | 80.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G11 | G11-G13 PolarHBondContact O-N 3.43Š|
| 14 | S | 43.1 | Very low | 46.3 | Very low | 109 Ų | 109 | 102.9 Ų | 102.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -76.4 | 165 | 175.1 | -74 | 0 | 0 | 0 | 0 | 113.9 | G12 | G12-S14 PolarHBondContact O-N 3.01Š|
| 15 | S | 43.7 | Very low | 47.1 | Very low | 132 Ų | 132 | 104.3 Ų | 104.3 | 92% | 0.923 | 79% | 0.785 | S | S | * | * | | | trans | 76.6 | 149.8 | 165.7 | 82.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 16 | G | 45.6 | Very low | 48.5 | Very low | 75 Ų | 75 | 101.1 Ų | 101.1 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | 138.8 | 53.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | G18 | G16-G18 PolarHBondContact O-N 3.05Š|
| 17 | G | 37.6 | Very low | 49.7 | Very low | 90 Ų | 90 | 102 Ų | 102 | 93% | 0.928 | 75% | 0.745 | S | S | * | * | | | trans | -66.1 | 101.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 18 | G | 43.4 | Very low | 51.9 | Low | 76 Ų | 76 | 105.5 Ų | 105.5 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | | | trans | -101 | 110.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G16 G20 | G16-G18 PolarHBondContact O-N 3.05Å; G18-G20 PolarHBondContact O-N 2.66Å |
| 19 | S | 50.4 | Low | 54 | Low | 119 Ų | 119 | 101.9 Ų | 101.9 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | | | trans | -68.2 | 126.7 | -174.5 | -173.8 | 0 | 0 | 0 | 0 | 115.1 | R21 | S19-R21 PolarHBondContact O-N 2.95Å; S19-R21 VanDerWaalsContact O-N 3.13Å |
| 20 | G | 44 | Very low | 56.6 | Low | 75 Ų | 75 | 98.1 Ų | 98.1 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | | | trans | 73.3 | 11.2 | 135.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | G18 A22 | G18-G20 PolarHBondContact O-N 2.66Å; G20-A22 PolarHBondContact O-N 2.89Å; G20-A22 VanDerWaalsContact O-N 3.15Å |
| 21 | R | 56.2 | Low | 59 | Low | 245 Ų | 245 | 95.2 Ų | 95.2 | 93% | 0.925 | 63% | 0.633 | S | S | * | * | | | trans | -70.8 | 110.2 | 176.8 | -69 | -169.6 | 179.5 | -161.7 | 1.4 | 111.4 | S19 H23 | S19-R21 PolarHBondContact O-N 2.95Å; S19-R21 VanDerWaalsContact O-N 3.13Å; R21-H23 PolarHBondContact O-N 3.41Å |
| 22 | A | 55.8 | Low | 61.5 | Low | 55 Ų | 55 | 91.6 Ų | 91.6 | 46% | 0.455 | 60% | 0.596 | S | S | . | * | | | trans | -57.9 | 128.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | G20 F24 | G20-A22 PolarHBondContact O-N 2.89Å; G20-A22 VanDerWaalsContact O-N 3.15Å; A22-F24 HydrophobicContact CB-CE2 4.32Å; A22-F24 HydrophobicContact CB-CZ 4.45Å; A22-F24 WeakPolarHBondContact O-CD2 3.22Å; A22-F24 WeakPolarHBondContact O-CE2 3.28Å; A22-F24 PolarHBondContact O-N 3.36Å |
| 23 | H | 59.9 | Low | 64.2 | Low | 157 Ų | 157 | 88.1 Ų | 88.1 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | | | trans | -74.4 | 93 | -180 | -175 | 96.7 | 0 | 0 | 0 | 110.7 | R21 R25 | R21-H23 PolarHBondContact O-N 3.41Å; H23-R25 PolarHBondContact O-N 2.9Å |
| 24 | F | 58.3 | Low | 66.5 | Low | 101 Ų | 101 | 85.6 Ų | 85.6 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | | | trans | -73.9 | 109.6 | 173.7 | -60.5 | -87.2 | 0 | 0 | 0 | 109.7 | A22 S26 S37 | A22-F24 HydrophobicContact CB-CE2 4.32Å; A22-F24 HydrophobicContact CB-CZ 4.45Å; A22-F24 WeakPolarHBondContact O-CD2 3.22Å; A22-F24 WeakPolarHBondContact O-CE2 3.28Å; A22-F24 PolarHBondContact O-N 3.36Å; F24-S26 PolarHBondContact O-N 2.89Å; F24-S37 WeakPolarHBondContact CD1-O 3.16Å |
| 25 | R | 65.8 | Low | 68.6 | Low | 163 Ų | 163 | 81.9 Ų | 81.9 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -61.1 | -30.9 | 178.8 | -80.1 | -160.3 | 177.6 | 172.7 | -7.1 | 114 | H23 S40 F42 | H23-R25 PolarHBondContact O-N 2.9Å; R25-S40 WeakPolarHBondContact CD-O 3.21Å; R25-S40 PolarHBondContact NE-O 3.42Å; R25-F42 HydrophobicContact CB-CD2 4.24Å |
| 26 | S | 73.7 | Confident | 70.5 | Confident | 4 Ų | 4 | 81.6 Ų | 81.6 | 3% | 0.028 | 49% | 0.488 | C | S | . | . | | | trans | -101.1 | 120.2 | 175 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | F24 L28 G29 D66 | F24-S26 PolarHBondContact O-N 2.89Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-G29 PolarHBondContact OG-N 3.21Å; S26-G29 PolarHBondContact OG-O 3.22Å; S26-D66 WeakPolarHBondContact CB-OD2 3.46Å; S26-D66 WeakPolarHBondContact OG-CB 3.45Å; S26-D66 PolarHBondContact OG-OD2 3.19Å |
| 27 | Q | 78.1 | Confident | 71.4 | Confident | 171 Ų | 171 | 79.3 Ų | 79.3 | 80% | 0.799 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -68.1 | -36.2 | 174.2 | -62.2 | -171.2 | 12.6 | 0 | 0 | 111.9 | K36 | Q27-K36 WeakPolarHBondContact O-CE 3.49Å; Q27-K36 PolarHBondContact O-NZ 2.89Å |
| 28 | L | 85.6 | Confident | 72.3 | Confident | 153 Ų | 153 | 79.3 Ų | 79.3 | 80% | 0.801 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -82.6 | -35 | 179.9 | -58.7 | -179.9 | 0 | 0 | 0 | 111.8 | S26 K36 | S26-L28 VanDerWaalsContact C-N 3.35Å; L28-K36 VanDerWaalsContact O-CE 3.25Å; L28-K36 WeakPolarHBondContact O-CE 3.46Å |
| 29 | G | 89.8 | Confident | 73 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 5% | 0.052 | 42% | 0.419 | C | S | . | . | | | trans | 92.1 | -172.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S26 C31 | S26-G29 PolarHBondContact OG-N 3.21Å; S26-G29 PolarHBondContact OG-O 3.22Å; G29-C31 PolarHBondContact O-N 3.49Å |
| 30 | C | 93.1 | Very high | 73.5 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | | | trans | -66.9 | 126.5 | -174.3 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | I32 G34 T35 F42 D66 C68 C71 | C30-I32 PolarHBondContact O-N 2.94Å; C30-G34 VanDerWaalsContact O-CA 3.27Å; C30-G34 WeakPolarHBondContact O-CA 3.25Å; C30-G34 PolarHBondContact O-N 3.45Å; C30-T35 PolarHBondContact N-O 3.26Å; C30-F42 HydrophobicContact CB-CE1 4.17Å; C30-D66 CarbonylContact C-O 3.57Å; C30-D66 WeakPolarHBondContact CA-O 3.42Å; C30-D66 PolarHBondContact SG-O 2.92Å; C30-C68 HydrophobicContact CB-CB 3.98Å; C30-C68 PolarHBondContact SG-N 3.15Å; C30-C68 VanDerWaalsContact SG-N 3.38Å; C30-C71 VanDerWaalsContact SG-SG 3.61Å |
| 31 | C | 93.9 | Very high | 74.9 | Confident | 23 Ų | 23 | 80.9 Ų | 80.9 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23.6 | -178.5 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | G29 R63 S64 D66 | G29-C31 PolarHBondContact O-N 3.49Å; C31-R63 PolarHBondContact O-NH1 2.99Å; C31-S64 WeakPolarHBondContact CB-O 3.44Å; C31-D66 PolarHBondContact N-O 2.91Å; C31-D66 PolarHBondContact SG-O 2.99Å; C31-D66 VanDerWaalsContact SG-O 3.37Å |
| 32 | I | 94.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -63.7 | 175.4 | -57.6 | -59.9 | 0 | 0 | 0 | 111 | C30 F52 F56 R63 L67 C71 D93 | C30-I32 PolarHBondContact O-N 2.94Å; I32-F52 HydrophobicContact CD1-CD1 4.38Å; I32-F52 HydrophobicContact CD1-CD2 3.98Å; I32-F52 HydrophobicContact CD1-CE1 4.48Å; I32-F52 HydrophobicContact CD1-CE2 4.09Å; I32-F52 HydrophobicContact CD1-CG 4.15Å; I32-F52 HydrophobicContact CD1-CZ 4.35Å; I32-F56 HydrophobicContact CD1-CD2 3.87Å; I32-F56 HydrophobicContact CD1-CE2 4.02Å; I32-F56 HydrophobicContact CG1-CD2 4.33Å; I32-F56 HydrophobicContact CG1-CE2 4.03Å; I32-F56 HydrophobicContact CG1-CZ 4.45Å; I32-F56 HydrophobicContact CG2-CD1 3.88Å; I32-F56 HydrophobicContact CG2-CD2 4.16Å; I32-F56 HydrophobicContact CG2-CE1 3.81Å; I32-F56 HydrophobicContact CG2-CE2 4.09Å; I32-F56 HydrophobicContact CG2-CG 4.08Å; I32-F56 HydrophobicContact CG2-CZ 3.92Å; I32-R63 HydrophobicContact CD1-CB 3.85Å; I32-R63 HydrophobicContact CD1-CG 4.15Å; I32-L67 HydrophobicContact CG1-CD2 3.61Å; I32-C71 HydrophobicContact CB-CB 4.38Å; I32-D93 PolarHBondContact O-N 3.49Å |
| 33 | C | 93.4 | Very high | 77.9 | Confident | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 10.4 | -169.5 | 71.3 | 0 | 0 | 0 | 0 | 115.4 | T35 V91 | C33-T35 PolarHBondContact O-N 3.24Å; C33-T35 PolarHBondContact O-OG1 2.67Å; C33-T35 VanDerWaalsContact SG-CB 3.53Å; C33-T35 PolarHBondContact SG-OG1 2.87Å; C33-V91 WeakPolarHBondContact CA-O 3.28Å; C33-V91 HydrophobicContact CB-CG1 4.23Å; C33-V91 WeakPolarHBondContact CB-O 3.44Å |
| 34 | G | 90.3 | Very high | 79.4 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | | | trans | 62.2 | 10 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C30 K36 | C30-G34 VanDerWaalsContact O-CA 3.27Å; C30-G34 WeakPolarHBondContact O-CA 3.25Å; C30-G34 PolarHBondContact O-N 3.45Å; G34-K36 PolarHBondContact O-N 3.03Å |
| 35 | T | 87 | Confident | 81.1 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | | | trans | -88.7 | 108.6 | -169.4 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | C30 C33 S37 K95 | C30-T35 PolarHBondContact N-O 3.26Å; C33-T35 PolarHBondContact O-N 3.24Å; C33-T35 PolarHBondContact O-OG1 2.67Å; C33-T35 VanDerWaalsContact SG-CB 3.53Å; C33-T35 PolarHBondContact SG-OG1 2.87Å; T35-S37 PolarHBondContact O-N 3.39Å; T35-K95 WeakPolarHBondContact OG1-CD 3.33Å; T35-K95 WeakPolarHBondContact OG1-CE 3.29Å |
| 36 | K | 83.6 | Confident | 82.4 | Confident | 126 Ų | 126 | 61 Ų | 61 | 55% | 0.548 | 33% | 0.33 | S | S | . | . | | | trans | -67.6 | 74.2 | 156.7 | -57.5 | -163.2 | -171.2 | -157.5 | 0 | 109.9 | Q27 L28 G34 | Q27-K36 WeakPolarHBondContact O-CE 3.49Å; Q27-K36 PolarHBondContact O-NZ 2.89Å; L28-K36 VanDerWaalsContact O-CE 3.25Å; L28-K36 WeakPolarHBondContact O-CE 3.46Å; G34-K36 PolarHBondContact O-N 3.03Å |
| 37 | S | 64.4 | Low | 83.3 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 19% | 0.189 | 37% | 0.366 | C | S | . | . | | | trans | -73.8 | 141.6 | 171.5 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | F24 T35 S39 F42 C68 | F24-S37 WeakPolarHBondContact CD1-O 3.16Å; T35-S37 PolarHBondContact O-N 3.39Å; S37-S39 PolarHBondContact O-N 3.06Å; S37-S39 WeakPolarHBondContact OG-CB 3.39Å; S37-F42 WeakPolarHBondContact O-CE2 3.48Å; S37-F42 VanDerWaalsContact OG-CZ 3.29Å; S37-F42 WeakPolarHBondContact OG-CZ 3.36Å; S37-C68 WeakPolarHBondContact OG-CB 3.43Å |
| 38 | S | 56.2 | Low | 84.1 | Confident | 90 Ų | 90 | 64 Ų | 64 | 63% | 0.629 | 33% | 0.334 | S | S | * | . | | | trans | -67.5 | 21.6 | 164.6 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | S40 | S38-S40 PolarHBondContact O-N 2.94Š|
| 39 | S | 59 | Low | 84.5 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | | | trans | -68.6 | 102.8 | 170.7 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | S37 R41 F42 | S37-S39 PolarHBondContact O-N 3.06Å; S37-S39 WeakPolarHBondContact OG-CB 3.39Å; S39-R41 PolarHBondContact O-N 3.22Å; S39-R41 PolarHBondContact OG-O 3.41Å; S39-F42 VanDerWaalsContact O-CD2 3.24Å; S39-F42 WeakPolarHBondContact O-CD2 3.44Å |
| 40 | S | 60.5 | Low | 84.7 | Confident | 70 Ų | 70 | 66 Ų | 66 | 49% | 0.49 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -53 | -17.6 | 167.1 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | R25 S38 | R25-S40 WeakPolarHBondContact CD-O 3.21Å; R25-S40 PolarHBondContact NE-O 3.42Å; S38-S40 PolarHBondContact O-N 2.94Å |
| 41 | R | 72.8 | Confident | 84.8 | Confident | 200 Ų | 200 | 67.2 Ų | 67.2 | 76% | 0.755 | 35% | 0.351 | S | S | * | . | | | trans | -113.1 | 74.4 | 177.8 | -50 | -172.5 | 87.1 | 156.6 | 6 | 110.6 | S39 | S39-R41 PolarHBondContact O-N 3.22Å; S39-R41 PolarHBondContact OG-O 3.41Å |
| 42 | F | 85.5 | Confident | 84.9 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | | | trans | -71 | 153.2 | 152.4 | -76.8 | -85.9 | 0 | 0 | 0 | 109.7 | R25 C30 S37 S39 D66 L67 C68 | R25-F42 HydrophobicContact CB-CD2 4.24Å; C30-F42 HydrophobicContact CB-CE1 4.17Å; S37-F42 WeakPolarHBondContact O-CE2 3.48Å; S37-F42 VanDerWaalsContact OG-CZ 3.29Å; S37-F42 WeakPolarHBondContact OG-CZ 3.36Å; S39-F42 VanDerWaalsContact O-CD2 3.24Å; S39-F42 WeakPolarHBondContact O-CD2 3.44Å; F42-D66 HydrophobicContact CB-CB 4.14Å; F42-D66 HydrophobicContact CD1-CB 3.67Å; F42-D66 HydrophobicContact CE1-CB 4.36Å; F42-D66 HydrophobicContact CG-CB 4.14Å; F42-L67 CarbonylContact C-O 3.19Å; F42-L67 VanDerWaalsContact CA-O 3.32Å; F42-L67 WeakPolarHBondContact CA-O 3.5Å; F42-L67 WeakPolarHBondContact CD1-O 3.39Å; F42-C68 HydrophobicContact CD1-CB 4.3Å; F42-C68 HydrophobicContact CE1-CB 3.94Å |
| 43 | T | 90.1 | Very high | 84.9 | Confident | 53 Ų | 53 | 67 Ų | 67 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.6 | 179.1 | -53.8 | 0 | 0 | 0 | 0 | 109 | S45 Y48 L67 | T43-S45 PolarHBondContact O-N 2.88Å; T43-Y48 HydrophobicContact CG2-CE2 4.18Å; T43-L67 PolarHBondContact N-O 2.85Å; T43-L67 WeakPolarHBondContact O-CB 3.5Å; T43-L67 PolarHBondContact O-N 3.3Å |
| 44 | S | 91.9 | Very high | 84.9 | Confident | 63 Ų | 63 | 68.4 Ų | 68.4 | 44% | 0.441 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 136.7 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | Q46 | S44-Q46 PolarHBondContact O-N 3Å; S44-Q46 WeakPolarHBondContact OG-CB 3.41Å; S44-Q46 PolarHBondContact OG-N 3.04Å |
| 45 | S | 94 | Very high | 85.2 | Confident | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -62.3 | -22.1 | 176.2 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | T43 R47 Y48 A49 G65 | T43-S45 PolarHBondContact O-N 2.88Å; S45-R47 PolarHBondContact O-N 2.82Å; S45-R47 VanDerWaalsContact O-N 3.11Å; S45-Y48 CarbonylContact O-C 3.53Å; S45-Y48 PolarHBondContact O-N 3.13Å; S45-A49 PolarHBondContact O-N 2.92Å; S45-G65 WeakPolarHBondContact CB-O 3.3Å; S45-G65 PolarHBondContact N-O 2.82Å; S45-G65 PolarHBondContact OG-N 2.87Å; S45-G65 PolarHBondContact OG-O 3.04Å |
| 46 | Q | 92.4 | Very high | 85.6 | Confident | 160 Ų | 160 | 65.5 Ų | 65.5 | 75% | 0.748 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -52.9 | -37.9 | -171 | -169.4 | -180 | 12.1 | 0 | 0 | 113.4 | S44 Y48 | S44-Q46 PolarHBondContact O-N 3Å; S44-Q46 WeakPolarHBondContact OG-CB 3.41Å; S44-Q46 PolarHBondContact OG-N 3.04Å; Q46-Y48 PolarHBondContact O-N 2.77Å |
| 47 | R | 92.3 | Very high | 86.1 | Confident | 207 Ų | 207 | 59.6 Ų | 59.6 | 78% | 0.781 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -76.2 | 2.8 | 178.9 | -62.9 | -170.6 | -179.1 | -162.1 | -0 | 115.1 | S45 | S45-R47 PolarHBondContact O-N 2.82Å; S45-R47 VanDerWaalsContact O-N 3.11Å |
| 48 | Y | 95 | Very high | 87.5 | Confident | 33 Ų | 33 | 63 Ų | 63 | 13% | 0.129 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | -4.4 | -174.4 | -57.5 | -76.3 | 0 | 0 | 0 | 113.7 | T43 S45 Q46 E50 H51 F52 L67 V72 V75 K76 | T43-Y48 HydrophobicContact CG2-CE2 4.18Å; S45-Y48 CarbonylContact O-C 3.53Å; S45-Y48 PolarHBondContact O-N 3.13Å; Q46-Y48 PolarHBondContact O-N 2.77Å; Y48-E50 VanDerWaalsContact C-N 3.33Å; Y48-E50 PolarHBondContact O-N 2.71Å; Y48-H51 WeakPolarHBondContact O-CB 3.44Å; Y48-H51 PolarHBondContact O-N 2.72Å; Y48-F52 WeakPolarHBondContact O-CD1 3.48Å; Y48-F52 VanDerWaalsContact O-CE1 3.31Å; Y48-F52 WeakPolarHBondContact O-CE1 3.45Å; Y48-F52 PolarHBondContact O-N 3.11Å; Y48-L67 HydrophobicContact CD2-CD1 3.55Å; Y48-L67 HydrophobicContact CE2-CD1 4.29Å; Y48-L67 HydrophobicContact CG-CD1 4.12Å; Y48-V72 HydrophobicContact CE1-CG1 4.48Å; Y48-V72 HydrophobicContact CE2-CG1 4.2Å; Y48-V72 HydrophobicContact CE2-CG2 4.26Å; Y48-V72 WeakPolarHBondContact OH-CG1 3.49Å; Y48-V75 HydrophobicContact CD1-CB 4.22Å; Y48-V75 HydrophobicContact CD1-CG1 3.77Å; Y48-V75 HydrophobicContact CG-CG1 4.46Å; Y48-K76 WeakPolarHBondContact OH-CE 3.35Å |
| 49 | A | 93.9 | Very high | 89.2 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S45 H51 F52 | S45-A49 PolarHBondContact O-N 2.92Å; A49-H51 PolarHBondContact O-N 3.4Å; A49-F52 HydrophobicContact CB-CD2 4.44Å; A49-F52 HydrophobicContact CB-CE2 4.35Å; A49-F52 WeakPolarHBondContact O-CB 3.39Å; A49-F52 PolarHBondContact O-N 3.37Å |
| 50 | E | 94.4 | Very high | 90.9 | Very high | 154 Ų | 154 | 63.4 Ų | 63.4 | 72% | 0.72 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -49.8 | -25.1 | 169.8 | 53.3 | 177.9 | -95 | 0 | 0 | 114.8 | Y48 | Y48-E50 VanDerWaalsContact C-N 3.33Å; Y48-E50 PolarHBondContact O-N 2.71Å |
| 51 | H | 95.2 | Very high | 92.4 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -98.4 | -11.2 | 179.4 | -60 | -14.6 | 0 | 0 | 0 | 113.3 | Y48 A49 G53 A54 C55 V75 W78 | Y48-H51 WeakPolarHBondContact O-CB 3.44Å; Y48-H51 PolarHBondContact O-N 2.72Å; A49-H51 PolarHBondContact O-N 3.4Å; H51-G53 PolarHBondContact O-N 2.84Å; H51-A54 PolarHBondContact O-N 3.03Å; H51-C55 WeakPolarHBondContact O-CB 3.21Å; H51-C55 PolarHBondContact O-N 3.03Å; H51-V75 HydrophobicContact CB-CG1 3.83Å; H51-W78 HydrophobicContact CB-CE3 4.18Å; H51-W78 HydrophobicContact CB-CH2 4.42Å; H51-W78 HydrophobicContact CB-CZ3 3.68Å; H51-W78 AromaticContact CG-CZ3 3.66Å |
| 52 | F | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.7 | -39.3 | -171.1 | -68 | -11.2 | 0 | 0 | 0 | 113.1 | I32 Y48 A49 A54 C55 F56 G60 R63 L67 V75 | I32-F52 HydrophobicContact CD1-CD1 4.38Å; I32-F52 HydrophobicContact CD1-CD2 3.98Å; I32-F52 HydrophobicContact CD1-CE1 4.48Å; I32-F52 HydrophobicContact CD1-CE2 4.09Å; I32-F52 HydrophobicContact CD1-CG 4.15Å; I32-F52 HydrophobicContact CD1-CZ 4.35Å; Y48-F52 WeakPolarHBondContact O-CD1 3.48Å; Y48-F52 VanDerWaalsContact O-CE1 3.31Å; Y48-F52 WeakPolarHBondContact O-CE1 3.45Å; Y48-F52 PolarHBondContact O-N 3.11Å; A49-F52 HydrophobicContact CB-CD2 4.44Å; A49-F52 HydrophobicContact CB-CE2 4.35Å; A49-F52 WeakPolarHBondContact O-CB 3.39Å; A49-F52 PolarHBondContact O-N 3.37Å; F52-A54 PolarHBondContact O-N 3.12Å; F52-C55 PolarHBondContact O-N 2.91Å; F52-F56 HydrophobicContact CB-CD2 4.21Å; F52-F56 HydrophobicContact CD1-CD2 4.03Å; F52-F56 AromaticContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CE1-CE2 4.29Å; F52-F56 HydrophobicContact CG-CD2 4.32Å; F52-F56 WeakPolarHBondContact O-CB 3.38Å; F52-F56 PolarHBondContact O-N 3.21Å; F52-G60 VanDerWaalsContact CB-O 3.26Å; F52-G60 WeakPolarHBondContact CB-O 3.38Å; F52-G60 WeakPolarHBondContact CD2-O 3.49Å; F52-R63 HydrophobicContact CD2-CB 4.36Å; F52-R63 WeakPolarHBondContact CD2-O 3.3Å; F52-R63 WeakPolarHBondContact CE2-O 3.37Å; F52-L67 HydrophobicContact CE1-CD1 4.1Å; F52-L67 HydrophobicContact CE1-CD2 4.24Å; F52-L67 HydrophobicContact CZ-CD1 3.92Å; F52-L67 HydrophobicContact CZ-CD2 3.78Å; F52-L67 HydrophobicContact CZ-CG 4.21Å; F52-V75 HydrophobicContact CD1-CG2 4.39Å; F52-V75 HydrophobicContact CE1-CG2 4.3Å |
| 53 | G | 94.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 63 Ų | 63 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | H51 G57 | H51-G53 PolarHBondContact O-N 2.84Å; G53-G57 CarbonylContact O-C 3.5Å; G53-G57 WeakPolarHBondContact O-CA 3.41Å; G53-G57 PolarHBondContact O-N 2.99Å |
| 54 | A | 94.3 | Very high | 94 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -81.9 | -31.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H51 F52 W78 P85 N86 | H51-A54 PolarHBondContact O-N 3.03Å; F52-A54 PolarHBondContact O-N 3.12Å; A54-W78 HydrophobicContact CB-CH2 3.78Å; A54-W78 HydrophobicContact CB-CZ2 3.34Å; A54-P85 CarbonylContact O-C 3.58Å; A54-P85 WeakPolarHBondContact O-CA 3.22Å; A54-N86 PolarHBondContact O-N 3.34Å |
| 55 | C | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -78.5 | -42.2 | -179.7 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | H51 F52 W78 F88 | H51-C55 WeakPolarHBondContact O-CB 3.21Å; H51-C55 PolarHBondContact O-N 3.03Å; F52-C55 PolarHBondContact O-N 2.91Å; C55-W78 HydrophobicContact CB-CB 4.46Å; C55-W78 HydrophobicContact CB-CD2 3.85Å; C55-W78 HydrophobicContact CB-CE3 4.22Å; C55-W78 HydrophobicContact CB-CG 3.94Å; C55-F88 PolarHBondContact O-N 2.73Å |
| 56 | F | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -116.4 | -3.7 | -172.8 | -55.2 | -68 | 0 | 0 | 0 | 113.9 | I32 F52 C74 V75 F88 V91 L92 | I32-F56 HydrophobicContact CD1-CD2 3.87Å; I32-F56 HydrophobicContact CD1-CE2 4.02Å; I32-F56 HydrophobicContact CG1-CD2 4.33Å; I32-F56 HydrophobicContact CG1-CE2 4.03Å; I32-F56 HydrophobicContact CG1-CZ 4.45Å; I32-F56 HydrophobicContact CG2-CD1 3.88Å; I32-F56 HydrophobicContact CG2-CD2 4.16Å; I32-F56 HydrophobicContact CG2-CE1 3.81Å; I32-F56 HydrophobicContact CG2-CE2 4.09Å; I32-F56 HydrophobicContact CG2-CG 4.08Å; I32-F56 HydrophobicContact CG2-CZ 3.92Å; F52-F56 HydrophobicContact CB-CD2 4.21Å; F52-F56 HydrophobicContact CD1-CD2 4.03Å; F52-F56 AromaticContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CE1-CE2 4.29Å; F52-F56 HydrophobicContact CG-CD2 4.32Å; F52-F56 WeakPolarHBondContact O-CB 3.38Å; F52-F56 PolarHBondContact O-N 3.21Å; F56-C74 HydrophobicContact CE1-CB 3.97Å; F56-C74 HydrophobicContact CZ-CB 4Å; F56-V75 HydrophobicContact CE2-CG2 3.66Å; F56-V75 HydrophobicContact CZ-CG2 3.81Å; F56-F88 HydrophobicContact CD1-CB 3.67Å; F56-F88 WeakPolarHBondContact CD1-O 3.45Å; F56-F88 HydrophobicContact CE1-CB 3.65Å; F56-V91 HydrophobicContact CD1-CB 4.41Å; F56-V91 HydrophobicContact CE1-CB 4.2Å; F56-V91 HydrophobicContact CE1-CG1 4.31Å; F56-L92 HydrophobicContact CB-CB 4.44Å; F56-L92 HydrophobicContact CB-CD1 3.97Å |
| 57 | G | 93.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | | | trans | 91.1 | 177 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G53 Q59 G60 N86 | G53-G57 CarbonylContact O-C 3.5Å; G53-G57 WeakPolarHBondContact O-CA 3.41Å; G53-G57 PolarHBondContact O-N 2.99Å; G57-Q59 PolarHBondContact O-N 2.81Å; G57-Q59 VanDerWaalsContact O-N 3.12Å; G57-G60 WeakPolarHBondContact O-CA 3.31Å; G57-G60 PolarHBondContact O-N 3.01Å; G57-N86 WeakPolarHBondContact CA-OD1 3.43Å |
| 58 | P | 93.7 | Very high | 94.1 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.7 | -36.3 | -172.4 | -28.5 | 35.6 | 0 | 0 | 0 | 114.1 | G60 I61 | P58-G60 PolarHBondContact O-N 3.38Å; P58-G60 VanDerWaalsContact O-N 3.09Å; P58-I61 WeakPolarHBondContact O-CB 3.29Å; P58-I61 WeakPolarHBondContact O-CG1 3.34Å; P58-I61 PolarHBondContact O-N 3.07Å; P58-I61 VanDerWaalsContact O-N 3.07Å |
| 59 | Q | 92.1 | Very high | 93.9 | Very high | 130 Ų | 130 | 51.6 Ų | 51.6 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64 | -12.8 | 176.3 | -59.4 | -177.3 | 10.6 | 0 | 0 | 114.2 | G57 R63 L92 | G57-Q59 PolarHBondContact O-N 2.81Å; G57-Q59 VanDerWaalsContact O-N 3.12Å; Q59-R63 WeakPolarHBondContact O-CG 3.39Å; Q59-R63 PolarHBondContact O-NE 2.93Å; Q59-L92 HydrophobicContact CB-CD1 4.05Å; Q59-L92 HydrophobicContact CB-CD2 4.01Å |
| 60 | G | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.1 | -27.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F52 G57 P58 T62 R63 | F52-G60 VanDerWaalsContact CB-O 3.26Å; F52-G60 WeakPolarHBondContact CB-O 3.38Å; F52-G60 WeakPolarHBondContact CD2-O 3.49Å; G57-G60 WeakPolarHBondContact O-CA 3.31Å; G57-G60 PolarHBondContact O-N 3.01Å; P58-G60 PolarHBondContact O-N 3.38Å; P58-G60 VanDerWaalsContact O-N 3.09Å; G60-T62 VanDerWaalsContact C-N 3.28Å; G60-T62 PolarHBondContact O-N 3.49Å; G60-R63 WeakPolarHBondContact O-CB 3.49Å; G60-R63 PolarHBondContact O-N 2.95Å; G60-R63 VanDerWaalsContact O-N 3.11Å |
| 61 | I | 93.8 | Very high | 93.9 | Very high | 117 Ų | 117 | 45 Ų | 45 | 60% | 0.6 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | -176.2 | -58.5 | 173 | 0 | 0 | 0 | 110.8 | P58 R63 | P58-I61 WeakPolarHBondContact O-CB 3.29Å; P58-I61 WeakPolarHBondContact O-CG1 3.34Å; P58-I61 PolarHBondContact O-N 3.07Å; P58-I61 VanDerWaalsContact O-N 3.07Å; I61-R63 PolarHBondContact O-N 3.45Å |
| 62 | T | 93.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 44 Ų | 44 | 71% | 0.712 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 6.5 | -178.4 | 56 | 0 | 0 | 0 | 0 | 114.1 | G60 | G60-T62 VanDerWaalsContact C-N 3.28Å; G60-T62 PolarHBondContact O-N 3.49Å |
| 63 | R | 93.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 18% | 0.181 | 30% | 0.295 | C | S | . | . | | | trans | -95.3 | 117.2 | -176.3 | -53.9 | -56.6 | -179.8 | 113.5 | -5.7 | 111.4 | C31 I32 F52 Q59 G60 I61 D93 | C31-R63 PolarHBondContact O-NH1 2.99Å; I32-R63 HydrophobicContact CD1-CB 3.85Å; I32-R63 HydrophobicContact CD1-CG 4.15Å; F52-R63 HydrophobicContact CD2-CB 4.36Å; F52-R63 WeakPolarHBondContact CD2-O 3.3Å; F52-R63 WeakPolarHBondContact CE2-O 3.37Å; Q59-R63 WeakPolarHBondContact O-CG 3.39Å; Q59-R63 PolarHBondContact O-NE 2.93Å; G60-R63 WeakPolarHBondContact O-CB 3.49Å; G60-R63 PolarHBondContact O-N 2.95Å; G60-R63 VanDerWaalsContact O-N 3.11Å; I61-R63 PolarHBondContact O-N 3.45Å; R63-D93 IonicContact CZ-OD2 3.98Å; R63-D93 VanDerWaalsContact CZ-OD2 3.26Å; R63-D93 IonicContact NH1-OD1 2.8Å; R63-D93 PolarHBondContact NH1-OD1 3.16Å; R63-D93 IonicContact NH1-OD2 2.79Å; R63-D93 PolarHBondContact NH1-OD2 3Å; R63-D93 IonicContact NH2-OD2 2.69Å; R63-D93 PolarHBondContact NH2-OD2 3.39Å |
| 64 | S | 94.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 48.4 Ų | 48.4 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | | | trans | -124 | 165 | 173.1 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | C31 | C31-S64 WeakPolarHBondContact CB-O 3.44Š|
| 65 | G | 92.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 111.5 | -136 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S45 | S45-G65 WeakPolarHBondContact CB-O 3.3Å; S45-G65 PolarHBondContact N-O 2.82Å; S45-G65 PolarHBondContact OG-N 2.87Å; S45-G65 PolarHBondContact OG-O 3.04Å |
| 66 | D | 92.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 138.6 | -170.9 | -75.8 | -63.3 | 0 | 0 | 0 | 114.4 | S26 C30 C31 F42 | S26-D66 WeakPolarHBondContact CB-OD2 3.46Å; S26-D66 WeakPolarHBondContact OG-CB 3.45Å; S26-D66 PolarHBondContact OG-OD2 3.19Å; C30-D66 CarbonylContact C-O 3.57Å; C30-D66 WeakPolarHBondContact CA-O 3.42Å; C30-D66 PolarHBondContact SG-O 2.92Å; C31-D66 PolarHBondContact N-O 2.91Å; C31-D66 PolarHBondContact SG-O 2.99Å; C31-D66 VanDerWaalsContact SG-O 3.37Å; F42-D66 HydrophobicContact CB-CB 4.14Å; F42-D66 HydrophobicContact CD1-CB 3.67Å; F42-D66 HydrophobicContact CE1-CB 4.36Å; F42-D66 HydrophobicContact CG-CB 4.14Å |
| 67 | L | 93.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.7 | 167.7 | -63.2 | -179.3 | 0 | 0 | 0 | 111.6 | I32 F42 T43 Y48 F52 C71 V72 | I32-L67 HydrophobicContact CG1-CD2 3.61Å; F42-L67 CarbonylContact C-O 3.19Å; F42-L67 VanDerWaalsContact CA-O 3.32Å; F42-L67 WeakPolarHBondContact CA-O 3.5Å; F42-L67 WeakPolarHBondContact CD1-O 3.39Å; T43-L67 PolarHBondContact N-O 2.85Å; T43-L67 WeakPolarHBondContact O-CB 3.5Å; T43-L67 PolarHBondContact O-N 3.3Å; Y48-L67 HydrophobicContact CD2-CD1 3.55Å; Y48-L67 HydrophobicContact CE2-CD1 4.29Å; Y48-L67 HydrophobicContact CG-CD1 4.12Å; F52-L67 HydrophobicContact CE1-CD1 4.1Å; F52-L67 HydrophobicContact CE1-CD2 4.24Å; F52-L67 HydrophobicContact CZ-CD1 3.92Å; F52-L67 HydrophobicContact CZ-CD2 3.78Å; F52-L67 HydrophobicContact CZ-CG 4.21Å; L67-C71 HydrophobicContact CD2-CB 4.21Å; L67-V72 HydrophobicContact CB-CG2 3.77Å; L67-V72 HydrophobicContact CD1-CG2 3.99Å |
| 68 | C | 92.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | | | trans | -76.1 | 156.3 | 164.9 | 71.4 | 0 | 0 | 0 | 0 | 110.2 | C30 S37 F42 A70 C71 V72 | C30-C68 HydrophobicContact CB-CB 3.98Å; C30-C68 PolarHBondContact SG-N 3.15Å; C30-C68 VanDerWaalsContact SG-N 3.38Å; S37-C68 WeakPolarHBondContact OG-CB 3.43Å; F42-C68 HydrophobicContact CD1-CB 4.3Å; F42-C68 HydrophobicContact CE1-CB 3.94Å; C68-A70 PolarHBondContact O-N 3.33Å; C68-C71 PolarHBondContact O-N 3.33Å; C68-C71 VanDerWaalsContact SG-SG 3.67Å; C68-V72 PolarHBondContact O-N 3.26Å |
| 69 | N | 91.5 | Very high | 94 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.4 | -33.6 | -178.6 | -171.6 | 50 | 0 | 0 | 0 | 113.7 | V72 L73 | N69-V72 PolarHBondContact O-N 2.95Å; N69-L73 VanDerWaalsContact O-CG 3.29Å; N69-L73 WeakPolarHBondContact O-CG 3.39Å; N69-L73 PolarHBondContact O-N 2.89Å |
| 70 | A | 93 | Very high | 94 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | C68 L73 C74 | C68-A70 PolarHBondContact O-N 3.33Å; A70-L73 PolarHBondContact O-N 3.02Å; A70-C74 PolarHBondContact O-N 3.1Å; A70-C74 PolarHBondContact O-SG 2.98Å |
| 71 | C | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.6 | -34.4 | 178.4 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | C30 I32 L67 C68 L73 C74 V75 | C30-C71 VanDerWaalsContact SG-SG 3.61Å; I32-C71 HydrophobicContact CB-CB 4.38Å; L67-C71 HydrophobicContact CD2-CB 4.21Å; C68-C71 PolarHBondContact O-N 3.33Å; C68-C71 VanDerWaalsContact SG-SG 3.67Å; C71-L73 VanDerWaalsContact C-N 3.29Å; C71-L73 PolarHBondContact O-N 3.32Å; C71-C74 WeakPolarHBondContact O-CB 3.25Å; C71-C74 PolarHBondContact O-N 2.79Å; C71-V75 PolarHBondContact O-N 3.48Å; C71-V75 VanDerWaalsContact O-N 3.13Å |
| 72 | V | 94.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 169.6 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | Y48 L67 C68 N69 V75 K76 | Y48-V72 HydrophobicContact CE1-CG1 4.48Å; Y48-V72 HydrophobicContact CE2-CG1 4.2Å; Y48-V72 HydrophobicContact CE2-CG2 4.26Å; Y48-V72 WeakPolarHBondContact OH-CG1 3.49Å; L67-V72 HydrophobicContact CB-CG2 3.77Å; L67-V72 HydrophobicContact CD1-CG2 3.99Å; C68-V72 PolarHBondContact O-N 3.26Å; N69-V72 PolarHBondContact O-N 2.95Å; V72-V75 PolarHBondContact O-N 2.97Å; V72-K76 HydrophobicContact CG1-CD 4.37Å; V72-K76 WeakPolarHBondContact O-CG 3.21Å; V72-K76 PolarHBondContact O-N 3.42Å |
| 73 | L | 94.7 | Very high | 93.5 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -31.4 | 175.9 | -71 | 169.9 | 0 | 0 | 0 | 113.1 | N69 A70 C71 R77 | N69-L73 VanDerWaalsContact O-CG 3.29Å; N69-L73 WeakPolarHBondContact O-CG 3.39Å; N69-L73 PolarHBondContact O-N 2.89Å; A70-L73 PolarHBondContact O-N 3.02Å; C71-L73 VanDerWaalsContact C-N 3.29Å; C71-L73 PolarHBondContact O-N 3.32Å; L73-R77 WeakPolarHBondContact O-CB 3.49Å; L73-R77 PolarHBondContact O-N 3.34Å |
| 74 | C | 95.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61 | -52.9 | 170.3 | -71 | 0 | 0 | 0 | 0 | 111.3 | F56 A70 C71 K76 R77 W78 F88 | F56-C74 HydrophobicContact CE1-CB 3.97Å; F56-C74 HydrophobicContact CZ-CB 4Å; A70-C74 PolarHBondContact O-N 3.1Å; A70-C74 PolarHBondContact O-SG 2.98Å; C71-C74 WeakPolarHBondContact O-CB 3.25Å; C71-C74 PolarHBondContact O-N 2.79Å; C74-K76 PolarHBondContact O-N 2.9Å; C74-R77 PolarHBondContact O-N 3.12Å; C74-W78 WeakPolarHBondContact O-CB 3.49Å; C74-W78 PolarHBondContact O-N 3.37Å; C74-F88 HydrophobicContact CB-CB 4.42Å; C74-F88 HydrophobicContact CB-CD1 4.14Å; C74-F88 HydrophobicContact CB-CD2 3.88Å; C74-F88 HydrophobicContact CB-CE1 4.41Å; C74-F88 HydrophobicContact CB-CE2 4.15Å; C74-F88 HydrophobicContact CB-CG 3.88Å; C74-F88 HydrophobicContact CB-CZ 4.41Å; C74-F88 WeakPolarHBondContact O-CE2 3.38Å |
| 75 | V | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | Y48 H51 F52 F56 C71 V72 R77 W78 L79 | Y48-V75 HydrophobicContact CD1-CB 4.22Å; Y48-V75 HydrophobicContact CD1-CG1 3.77Å; Y48-V75 HydrophobicContact CG-CG1 4.46Å; H51-V75 HydrophobicContact CB-CG1 3.83Å; F52-V75 HydrophobicContact CD1-CG2 4.39Å; F52-V75 HydrophobicContact CE1-CG2 4.3Å; F56-V75 HydrophobicContact CE2-CG2 3.66Å; F56-V75 HydrophobicContact CZ-CG2 3.81Å; C71-V75 PolarHBondContact O-N 3.48Å; C71-V75 VanDerWaalsContact O-N 3.13Å; V72-V75 PolarHBondContact O-N 2.97Å; V75-R77 PolarHBondContact O-N 3.28Å; V75-W78 WeakPolarHBondContact O-CB 3.33Å; V75-W78 PolarHBondContact O-N 3.28Å; V75-L79 WeakPolarHBondContact O-CG 3.26Å; V75-L79 PolarHBondContact O-N 3.38Å |
| 76 | K | 95.6 | Very high | 93 | Very high | 102 Ų | 102 | 68 Ų | 68 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.4 | -72.4 | -172.3 | 175.2 | -166.4 | 0 | 112.8 | Y48 V72 C74 Q80 | Y48-K76 WeakPolarHBondContact OH-CE 3.35Å; V72-K76 HydrophobicContact CG1-CD 4.37Å; V72-K76 WeakPolarHBondContact O-CG 3.21Å; V72-K76 PolarHBondContact O-N 3.42Å; C74-K76 PolarHBondContact O-N 2.9Å; K76-Q80 VanDerWaalsContact O-CG 3.27Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 3.44Å; K76-Q80 VanDerWaalsContact O-N 3.11Å |
| 77 | R | 95.8 | Very high | 92.9 | Very high | 130 Ų | 130 | 70 Ų | 70 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.2 | -30.9 | 176.7 | -179.1 | 175.2 | -73.3 | 176.3 | -1.8 | 112.6 | L73 C74 V75 R81 F88 | L73-R77 WeakPolarHBondContact O-CB 3.49Å; L73-R77 PolarHBondContact O-N 3.34Å; C74-R77 PolarHBondContact O-N 3.12Å; V75-R77 PolarHBondContact O-N 3.28Å; R77-R81 WeakPolarHBondContact O-CB 3.34Å; R77-R81 VanDerWaalsContact O-CG 3.31Å; R77-R81 WeakPolarHBondContact O-CG 3.33Å; R77-R81 PolarHBondContact O-N 3.02Å; R77-F88 HydrophobicContact CB-CE2 4.37Å; R77-F88 HydrophobicContact CB-CZ 4.2Å; R77-F88 HydrophobicContact CG-CE2 4.5Å; R77-F88 HydrophobicContact CG-CZ 4.04Å |
| 78 | W | 96.3 | Very high | 93 | Very high | 13 Ų | 13 | 71 Ų | 71 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 174.3 | 173.7 | 79.1 | 0 | 0 | 0 | 111.2 | H51 A54 C55 C74 V75 Q80 R81 R83 Q84 F88 | H51-W78 HydrophobicContact CB-CE3 4.18Å; H51-W78 HydrophobicContact CB-CH2 4.42Å; H51-W78 HydrophobicContact CB-CZ3 3.68Å; H51-W78 AromaticContact CG-CZ3 3.66Å; A54-W78 HydrophobicContact CB-CH2 3.78Å; A54-W78 HydrophobicContact CB-CZ2 3.34Å; C55-W78 HydrophobicContact CB-CB 4.46Å; C55-W78 HydrophobicContact CB-CD2 3.85Å; C55-W78 HydrophobicContact CB-CE3 4.22Å; C55-W78 HydrophobicContact CB-CG 3.94Å; C74-W78 WeakPolarHBondContact O-CB 3.49Å; C74-W78 PolarHBondContact O-N 3.37Å; V75-W78 WeakPolarHBondContact O-CB 3.33Å; V75-W78 PolarHBondContact O-N 3.28Å; W78-Q80 VanDerWaalsContact C-N 3.3Å; W78-Q80 PolarHBondContact O-N 2.92Å; W78-R81 PolarHBondContact O-N 2.94Å; W78-R81 VanDerWaalsContact O-N 3.09Å; W78-R83 HydrophobicContact CH2-CB 3.88Å; W78-R83 HydrophobicContact CH2-CG 4.12Å; W78-R83 HydrophobicContact CZ2-CB 3.54Å; W78-R83 HydrophobicContact CZ2-CG 4.26Å; W78-R83 VanDerWaalsContact CZ2-O 3.29Å; W78-R83 WeakPolarHBondContact CZ2-O 3.45Å; W78-R83 HydrophobicContact CZ3-CG 4.38Å; W78-R83 PolarHBondContact NE1-O 3.05Å; W78-R83 PolarHBondContact O-N 3.08Å; W78-Q84 VanDerWaalsContact CD1-O 3.25Å; W78-Q84 PolarHBondContact NE1-O 3.43Å; W78-F88 HydrophobicContact CB-CD2 4.1Å; W78-F88 HydrophobicContact CB-CE2 3.94Å |
| 79 | L | 94.6 | Very high | 93 | Very high | 59 Ų | 59 | 74.6 Ų | 74.6 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.9 | -43.3 | 172.1 | -72.8 | 171 | 0 | 0 | 0 | 112.3 | V75 R81 | V75-L79 WeakPolarHBondContact O-CG 3.26Å; V75-L79 PolarHBondContact O-N 3.38Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 2.9Å |
| 80 | Q | 93.5 | Very high | 93 | Very high | 160 Ų | 160 | 77.7 Ų | 77.7 | 75% | 0.748 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.4 | 178.2 | -73.3 | 171.6 | -16.5 | 0 | 0 | 114.9 | K76 W78 | K76-Q80 VanDerWaalsContact O-CG 3.27Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 3.44Å; K76-Q80 VanDerWaalsContact O-N 3.11Å; W78-Q80 VanDerWaalsContact C-N 3.3Å; W78-Q80 PolarHBondContact O-N 2.92Å |
| 81 | R | 89.1 | Confident | 93 | Very high | 141 Ų | 141 | 76.2 Ų | 76.2 | 53% | 0.532 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 37.4 | -173.9 | -70.9 | -177.7 | 172.8 | -169.6 | -7.6 | 113 | R77 W78 L79 R83 | R77-R81 WeakPolarHBondContact O-CB 3.34Å; R77-R81 VanDerWaalsContact O-CG 3.31Å; R77-R81 WeakPolarHBondContact O-CG 3.33Å; R77-R81 PolarHBondContact O-N 3.02Å; W78-R81 PolarHBondContact O-N 2.94Å; W78-R81 VanDerWaalsContact O-N 3.09Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 2.9Å; R81-R83 VanDerWaalsContact C-N 3.29Å; R81-R83 PolarHBondContact O-N 3.41Å |
| 82 | G | 89.1 | Confident | 92.9 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 61% | 0.608 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 24.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q84 | G82-Q84 PolarHBondContact O-N 3.19Å; G82-Q84 VanDerWaalsContact O-N 3.09Å |
| 83 | R | 90.8 | Very high | 92.7 | Very high | 155 Ų | 155 | 77.8 Ų | 77.8 | 59% | 0.585 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 26.7 | 168.4 | -51.7 | -175.2 | -156.5 | -144.4 | 7.2 | 115.6 | W78 R81 | W78-R83 HydrophobicContact CH2-CB 3.88Å; W78-R83 HydrophobicContact CH2-CG 4.12Å; W78-R83 HydrophobicContact CZ2-CB 3.54Å; W78-R83 HydrophobicContact CZ2-CG 4.26Å; W78-R83 VanDerWaalsContact CZ2-O 3.29Å; W78-R83 WeakPolarHBondContact CZ2-O 3.45Å; W78-R83 HydrophobicContact CZ3-CG 4.38Å; W78-R83 PolarHBondContact NE1-O 3.05Å; W78-R83 PolarHBondContact O-N 3.08Å; R81-R83 VanDerWaalsContact C-N 3.29Å; R81-R83 PolarHBondContact O-N 3.41Å |
| 84 | Q | 89.2 | Confident | 92.2 | Very high | 113 Ų | 113 | 76.5 Ų | 76.5 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | | | trans | -52.4 | 126.9 | -178.6 | -70.8 | -65.1 | -29.4 | 0 | 0 | 112.5 | W78 G82 F87 | W78-Q84 VanDerWaalsContact CD1-O 3.25Å; W78-Q84 PolarHBondContact NE1-O 3.43Å; G82-Q84 PolarHBondContact O-N 3.19Å; G82-Q84 VanDerWaalsContact O-N 3.09Å; Q84-F87 HydrophobicContact CB-CD2 4.23Å; Q84-F87 WeakPolarHBondContact O-CB 3.41Å |
| 85 | P | 90.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 81.9 Ų | 81.9 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 148.1 | -173 | 26.7 | -34.6 | 0 | 0 | 0 | 112.1 | A54 F87 | A54-P85 CarbonylContact O-C 3.58Å; A54-P85 WeakPolarHBondContact O-CA 3.22Å; P85-F87 PolarHBondContact O-N 3.25Å |
| 86 | N | 90.3 | Very high | 89.7 | Confident | 78 Ų | 78 | 89 Ų | 89 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 7.1 | 176.5 | -53.6 | -50.2 | 0 | 0 | 0 | 115.9 | A54 G57 F88 V89 | A54-N86 PolarHBondContact O-N 3.34Å; G57-N86 WeakPolarHBondContact CA-OD1 3.43Å; N86-F88 PolarHBondContact O-N 2.79Å; N86-V89 HydrophobicContact CB-CB 4.48Å; N86-V89 WeakPolarHBondContact O-CB 3.45Å; N86-V89 WeakPolarHBondContact O-CG1 3.45Å; N86-V89 PolarHBondContact O-N 2.9Å |
| 87 | F | 91.9 | Very high | 87.2 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 40% | 0.404 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.7 | -170.3 | -168.8 | -83.6 | 0 | 0 | 0 | 114.5 | Q84 P85 | Q84-F87 HydrophobicContact CB-CD2 4.23Å; Q84-F87 WeakPolarHBondContact O-CB 3.41Å; P85-F87 PolarHBondContact O-N 3.25Å |
| 88 | F | 94.4 | Very high | 84.8 | Confident | 19 Ų | 19 | 85 Ų | 85 | 8% | 0.083 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 20.9 | 177.2 | -69.1 | -68.5 | 0 | 0 | 0 | 114.2 | C55 F56 C74 R77 W78 N86 Q90 V91 | C55-F88 PolarHBondContact O-N 2.73Å; F56-F88 HydrophobicContact CD1-CB 3.67Å; F56-F88 WeakPolarHBondContact CD1-O 3.45Å; F56-F88 HydrophobicContact CE1-CB 3.65Å; C74-F88 HydrophobicContact CB-CB 4.42Å; C74-F88 HydrophobicContact CB-CD1 4.14Å; C74-F88 HydrophobicContact CB-CD2 3.88Å; C74-F88 HydrophobicContact CB-CE1 4.41Å; C74-F88 HydrophobicContact CB-CE2 4.15Å; C74-F88 HydrophobicContact CB-CG 3.88Å; C74-F88 HydrophobicContact CB-CZ 4.41Å; C74-F88 WeakPolarHBondContact O-CE2 3.38Å; R77-F88 HydrophobicContact CB-CE2 4.37Å; R77-F88 HydrophobicContact CB-CZ 4.2Å; R77-F88 HydrophobicContact CG-CE2 4.5Å; R77-F88 HydrophobicContact CG-CZ 4.04Å; W78-F88 HydrophobicContact CB-CD2 4.1Å; W78-F88 HydrophobicContact CB-CE2 3.94Å; N86-F88 PolarHBondContact O-N 2.79Å; F88-Q90 PolarHBondContact O-N 3.23Å; F88-Q90 VanDerWaalsContact O-N 3.11Å; F88-V91 HydrophobicContact CB-CB 4.36Å; F88-V91 HydrophobicContact CB-CG2 3.97Å; F88-V91 HydrophobicContact CD1-CG2 3.88Å; F88-V91 HydrophobicContact CG-CG2 4.37Å; F88-V91 WeakPolarHBondContact O-CA 3.43Å; F88-V91 VanDerWaalsContact O-CB 3.24Å; F88-V91 WeakPolarHBondContact O-CB 3.49Å; F88-V91 WeakPolarHBondContact O-CG2 3.35Å; F88-V91 PolarHBondContact O-N 3.41Å |
| 89 | V | 93.3 | Very high | 82 | Confident | 83 Ų | 83 | 86.1 Ų | 86.1 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -51.1 | -38.4 | 179.5 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | N86 V91 L92 | N86-V89 HydrophobicContact CB-CB 4.48Å; N86-V89 WeakPolarHBondContact O-CB 3.45Å; N86-V89 WeakPolarHBondContact O-CG1 3.45Å; N86-V89 PolarHBondContact O-N 2.9Å; V89-V91 PolarHBondContact O-N 3.47Å; V89-V91 VanDerWaalsContact O-N 3.08Å; V89-L92 WeakPolarHBondContact O-CB 3.27Å; V89-L92 PolarHBondContact O-N 3.38Å |
| 90 | Q | 92 | Very high | 80.2 | Confident | 159 Ų | 159 | 87.8 Ų | 87.8 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -60.7 | -16.6 | 174.8 | 62.2 | 175 | -39 | 0 | 0 | 115.4 | F88 S94 | F88-Q90 PolarHBondContact O-N 3.23Å; F88-Q90 VanDerWaalsContact O-N 3.11Å; Q90-S94 PolarHBondContact O-OG 2.92Å |
| 91 | V | 93.1 | Very high | 78.3 | Confident | 29 Ų | 29 | 89.2 Ų | 89.2 | 18% | 0.176 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -85.6 | -20.2 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | C33 F56 F88 V89 D93 S94 | C33-V91 WeakPolarHBondContact CA-O 3.28Å; C33-V91 HydrophobicContact CB-CG1 4.23Å; C33-V91 WeakPolarHBondContact CB-O 3.44Å; F56-V91 HydrophobicContact CD1-CB 4.41Å; F56-V91 HydrophobicContact CE1-CB 4.2Å; F56-V91 HydrophobicContact CE1-CG1 4.31Å; F88-V91 HydrophobicContact CB-CB 4.36Å; F88-V91 HydrophobicContact CB-CG2 3.97Å; F88-V91 HydrophobicContact CD1-CG2 3.88Å; F88-V91 HydrophobicContact CG-CG2 4.37Å; F88-V91 WeakPolarHBondContact O-CA 3.43Å; F88-V91 VanDerWaalsContact O-CB 3.24Å; F88-V91 WeakPolarHBondContact O-CB 3.49Å; F88-V91 WeakPolarHBondContact O-CG2 3.35Å; F88-V91 PolarHBondContact O-N 3.41Å; V89-V91 PolarHBondContact O-N 3.47Å; V89-V91 VanDerWaalsContact O-N 3.08Å; V91-D93 PolarHBondContact O-N 2.9Å; V91-S94 VanDerWaalsContact C-OG 3.23Å; V91-S94 VanDerWaalsContact CA-OG 3.22Å; V91-S94 WeakPolarHBondContact CA-OG 3.4Å; V91-S94 PolarHBondContact O-OG 2.96Å; V91-S94 VanDerWaalsContact O-OG 3.09Å |
| 92 | L | 92.5 | Very high | 76.7 | Confident | 18 Ų | 18 | 86.9 Ų | 86.9 | 9% | 0.094 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 125.9 | 176.1 | -171.5 | 140.2 | 0 | 0 | 0 | 109.5 | F56 Q59 V89 S94 | F56-L92 HydrophobicContact CB-CB 4.44Å; F56-L92 HydrophobicContact CB-CD1 3.97Å; Q59-L92 HydrophobicContact CB-CD1 4.05Å; Q59-L92 HydrophobicContact CB-CD2 4.01Å; V89-L92 WeakPolarHBondContact O-CB 3.27Å; V89-L92 PolarHBondContact O-N 3.38Å; L92-S94 PolarHBondContact O-N 3.46Å |
| 93 | D | 88.8 | Confident | 75.3 | Confident | 25 Ų | 25 | 90 Ų | 90 | 13% | 0.134 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 31.1 | -178.1 | -81.5 | -39.1 | 0 | 0 | 0 | 115.6 | I32 R63 V91 K95 K96 G97 | I32-D93 PolarHBondContact O-N 3.49Å; R63-D93 IonicContact CZ-OD2 3.98Å; R63-D93 VanDerWaalsContact CZ-OD2 3.26Å; R63-D93 IonicContact NH1-OD1 2.8Å; R63-D93 PolarHBondContact NH1-OD1 3.16Å; R63-D93 IonicContact NH1-OD2 2.79Å; R63-D93 PolarHBondContact NH1-OD2 3Å; R63-D93 IonicContact NH2-OD2 2.69Å; R63-D93 PolarHBondContact NH2-OD2 3.39Å; V91-D93 PolarHBondContact O-N 2.9Å; D93-K95 PolarHBondContact O-N 3.31Å; D93-K96 HydrophobicContact CB-CB 4.17Å; D93-K96 HydrophobicContact CB-CD 3.9Å; D93-K96 HydrophobicContact CB-CG 4.06Å; D93-K96 VanDerWaalsContact CG-CD 3.48Å; D93-K96 VanDerWaalsContact CG-CE 3.43Å; D93-K96 WeakPolarHBondContact O-CA 3.31Å; D93-K96 WeakPolarHBondContact O-CB 3.38Å; D93-K96 PolarHBondContact O-N 3.08Å; D93-K96 WeakPolarHBondContact OD1-CD 3.42Å; D93-K96 WeakPolarHBondContact OD1-CE 3.41Å; D93-K96 IonicContact OD1-NZ 2.78Å; D93-K96 PolarHBondContact OD1-NZ 2.69Å; D93-K96 IonicContact OD2-NZ 3.78Å; D93-K96 PolarHBondContact OD2-NZ 3.35Å; D93-G97 PolarHBondContact O-N 3.08Å |
| 94 | S | 85.5 | Confident | 74.1 | Confident | 66 Ų | 66 | 90.3 Ų | 90.3 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -18.7 | 179.8 | -35.9 | 0 | 0 | 0 | 0 | 114.5 | Q90 V91 L92 | Q90-S94 PolarHBondContact O-OG 2.92Å; V91-S94 VanDerWaalsContact C-OG 3.23Å; V91-S94 VanDerWaalsContact CA-OG 3.22Å; V91-S94 WeakPolarHBondContact CA-OG 3.4Å; V91-S94 PolarHBondContact O-OG 2.96Å; V91-S94 VanDerWaalsContact O-OG 3.09Å; L92-S94 PolarHBondContact O-N 3.46Å |
| 95 | K | 75.7 | Confident | 73.1 | Confident | 130 Ų | 130 | 89.4 Ų | 89.4 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10.4 | 172.7 | -76.5 | -156.3 | 172.2 | -170.5 | 0 | 115.4 | T35 D93 | T35-K95 WeakPolarHBondContact OG1-CD 3.33Å; T35-K95 WeakPolarHBondContact OG1-CE 3.29Å; D93-K95 PolarHBondContact O-N 3.31Å |
| 96 | K | 60.4 | Low | 72.1 | Confident | 151 Ų | 151 | 89.5 Ų | 89.5 | 66% | 0.657 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -19.4 | 167.5 | -54 | -175.2 | -171.8 | 155 | 0 | 112 | D93 | D93-K96 HydrophobicContact CB-CB 4.17Å; D93-K96 HydrophobicContact CB-CD 3.9Å; D93-K96 HydrophobicContact CB-CG 4.06Å; D93-K96 VanDerWaalsContact CG-CD 3.48Å; D93-K96 VanDerWaalsContact CG-CE 3.43Å; D93-K96 WeakPolarHBondContact O-CA 3.31Å; D93-K96 WeakPolarHBondContact O-CB 3.38Å; D93-K96 PolarHBondContact O-N 3.08Å; D93-K96 WeakPolarHBondContact OD1-CD 3.42Å; D93-K96 WeakPolarHBondContact OD1-CE 3.41Å; D93-K96 IonicContact OD1-NZ 2.78Å; D93-K96 PolarHBondContact OD1-NZ 2.69Å; D93-K96 IonicContact OD2-NZ 3.78Å; D93-K96 PolarHBondContact OD2-NZ 3.35Å |
| 97 | G | 44.7 | Very low | 71.6 | Confident | 30 Ų | 30 | 89.8 Ų | 89.8 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -55.6 | 168.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D93 G99 | D93-G97 PolarHBondContact O-N 3.08Å; G97-G99 WeakPolarHBondContact O-CA 3.47Å; G97-G99 PolarHBondContact O-N 2.98Å |
| 98 | P | 43.9 | Very low | 71.2 | Confident | 118 Ų | 118 | 91.7 Ų | 91.7 | 77% | 0.766 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -40.6 | 105.8 | -163.5 | -34 | 36.3 | 0 | 0 | 0 | 113.9 | | |
| 99 | G | 39.3 | Very low | 70.7 | Confident | 35 Ų | 35 | 98 Ų | 98 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | | | trans | -69.6 | -164 | -152.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G97 K101 H102 | G97-G99 WeakPolarHBondContact O-CA 3.47Å; G97-G99 PolarHBondContact O-N 2.98Å; G99-K101 PolarHBondContact O-N 2.96Å; G99-H102 PolarHBondContact O-N 3.28Å |
| 100 | P | 56.5 | Low | 70.3 | Confident | 95 Ų | 95 | 96 Ų | 96 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -52.6 | -15.7 | -172.7 | -30.3 | 36.5 | 0 | 0 | 0 | 116.8 | M103 K104 | P100-M103 PolarHBondContact O-N 2.91Å; P100-K104 WeakPolarHBondContact O-CG 3.45Å; P100-K104 PolarHBondContact O-N 3.4Å |
| 101 | K | 52.5 | Low | 70 | Confident | 189 Ų | 189 | 97.2 Ų | 97.2 | 82% | 0.822 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -53.7 | -51.4 | 165.9 | -63.6 | -174.4 | 179.6 | -177.3 | 0 | 112.1 | G99 K104 E105 | G99-K101 PolarHBondContact O-N 2.96Å; K101-K104 WeakPolarHBondContact O-CB 3.47Å; K101-K104 PolarHBondContact O-N 2.92Å; K101-E105 PolarHBondContact O-N 3.46Å; K101-E105 VanDerWaalsContact O-N 3.11Å |
| 102 | H | 56.6 | Low | 69.8 | Low | 92 Ų | 92 | 103.9 Ų | 103.9 | 43% | 0.426 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -34 | 179.4 | -177.5 | -134.4 | 0 | 0 | 0 | 111.8 | G99 K104 E105 I106 | G99-H102 PolarHBondContact O-N 3.28Å; H102-K104 VanDerWaalsContact C-N 3.34Å; H102-K104 PolarHBondContact O-N 2.91Å; H102-E105 IonicContact CD2-OE2 3.18Å; H102-E105 CarbonylContact O-C 3.55Å; H102-E105 WeakPolarHBondContact O-CA 3.33Å; H102-E105 WeakPolarHBondContact O-CB 3.48Å; H102-E105 PolarHBondContact O-N 3.08Å; H102-I106 WeakPolarHBondContact O-CG1 3.29Å; H102-I106 PolarHBondContact O-N 3.16Å |
| 103 | M | 59.3 | Low | 69.6 | Low | 125 Ų | 125 | 111 Ų | 111 | 62% | 0.616 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -34.6 | 174.6 | -163.1 | 172.6 | 69.3 | 0 | 0 | 112.5 | P100 E105 T107 | P100-M103 PolarHBondContact O-N 2.91Å; M103-E105 VanDerWaalsContact C-N 3.34Å; M103-T107 WeakPolarHBondContact O-CB 3.4Å; M103-T107 PolarHBondContact O-N 3.34Å; M103-T107 PolarHBondContact O-OG1 3.5Å |
| 104 | K | 65.3 | Low | 69.4 | Low | 161 Ų | 161 | 114.9 Ų | 114.9 | 70% | 0.7 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -39.6 | 167.8 | -75.2 | 179.8 | 176.9 | -175.2 | 0 | 111.4 | P100 K101 H102 T107 K108 | P100-K104 WeakPolarHBondContact O-CG 3.45Å; P100-K104 PolarHBondContact O-N 3.4Å; K101-K104 WeakPolarHBondContact O-CB 3.47Å; K101-K104 PolarHBondContact O-N 2.92Å; H102-K104 VanDerWaalsContact C-N 3.34Å; H102-K104 PolarHBondContact O-N 2.91Å; K104-T107 PolarHBondContact O-N 3.37Å; K104-K108 WeakPolarHBondContact O-CB 3.15Å; K104-K108 PolarHBondContact O-N 2.96Å |
| 105 | E | 67.8 | Low | 69.4 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.9 | -48 | 176.4 | -161 | -158.1 | 139.2 | 0 | 0 | 112.3 | K101 H102 M103 T107 K108 R109 | K101-E105 PolarHBondContact O-N 3.46Å; K101-E105 VanDerWaalsContact O-N 3.11Å; H102-E105 IonicContact CD2-OE2 3.18Å; H102-E105 CarbonylContact O-C 3.55Å; H102-E105 WeakPolarHBondContact O-CA 3.33Å; H102-E105 WeakPolarHBondContact O-CB 3.48Å; H102-E105 PolarHBondContact O-N 3.08Å; M103-E105 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 2.89Å; E105-K108 CarbonylContact O-C 3.59Å; E105-K108 WeakPolarHBondContact O-CB 3.16Å; E105-K108 PolarHBondContact O-N 3.22Å; E105-K108 VanDerWaalsContact O-N 3.09Å; E105-R109 VanDerWaalsContact O-CB 3.29Å; E105-R109 WeakPolarHBondContact O-CB 3.4Å; E105-R109 PolarHBondContact O-N 2.87Å; E105-R109 IonicContact OE1-NH1 2.72Å |
| 106 | I | 71.5 | Confident | 70 | Confident | 90 Ų | 90 | 116 Ų | 116 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -53.5 | -45.2 | 173.8 | -67 | 165.7 | 0 | 0 | 0 | 110.1 | H102 R109 A110 | H102-I106 WeakPolarHBondContact O-CG1 3.29Å; H102-I106 PolarHBondContact O-N 3.16Å; I106-R109 PolarHBondContact O-N 3.2Å; I106-A110 WeakPolarHBondContact O-CB 3.29Å; I106-A110 PolarHBondContact O-N 3.07Å |
| 107 | T | 79.7 | Confident | 71.2 | Confident | 84 Ų | 84 | 115.3 Ų | 115.3 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.7 | -42.7 | 178 | -53.5 | 0 | 0 | 0 | 0 | 112 | M103 K104 E105 R109 A110 R111 | M103-T107 WeakPolarHBondContact O-CB 3.4Å; M103-T107 PolarHBondContact O-N 3.34Å; M103-T107 PolarHBondContact O-OG1 3.5Å; K104-T107 PolarHBondContact O-N 3.37Å; E105-T107 PolarHBondContact O-N 2.89Å; T107-R109 VanDerWaalsContact C-N 3.31Å; T107-R109 PolarHBondContact O-N 2.85Å; T107-A110 PolarHBondContact O-N 2.99Å; T107-R111 PolarHBondContact O-N 3.33Å |
| 108 | K | 83.7 | Confident | 73 | Confident | 132 Ų | 132 | 120.7 Ų | 120.7 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.2 | -35.2 | 174.9 | -171.9 | 176.9 | -177.2 | 178.5 | 0 | 111.7 | K104 E105 R112 | K104-K108 WeakPolarHBondContact O-CB 3.15Å; K104-K108 PolarHBondContact O-N 2.96Å; E105-K108 CarbonylContact O-C 3.59Å; E105-K108 WeakPolarHBondContact O-CB 3.16Å; E105-K108 PolarHBondContact O-N 3.22Å; E105-K108 VanDerWaalsContact O-N 3.09Å; K108-R112 WeakPolarHBondContact O-CB 3.35Å; K108-R112 VanDerWaalsContact O-CG 3.28Å; K108-R112 WeakPolarHBondContact O-CG 3.38Å; K108-R112 PolarHBondContact O-N 3.26Å; K108-R112 VanDerWaalsContact O-N 3.07Å |
| 109 | R | 83.7 | Confident | 74.9 | Confident | 151 Ų | 151 | 117.5 Ų | 117.5 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.5 | -34.3 | 178.7 | -163.6 | 169.5 | -172.9 | 155.3 | -2.8 | 112.2 | E105 I106 T107 R113 | E105-R109 VanDerWaalsContact O-CB 3.29Å; E105-R109 WeakPolarHBondContact O-CB 3.4Å; E105-R109 PolarHBondContact O-N 2.87Å; E105-R109 IonicContact OE1-NH1 2.72Å; I106-R109 PolarHBondContact O-N 3.2Å; T107-R109 VanDerWaalsContact C-N 3.31Å; T107-R109 PolarHBondContact O-N 2.85Å; R109-R113 WeakPolarHBondContact O-CG 3.39Å; R109-R113 PolarHBondContact O-N 3.13Å; R109-R113 VanDerWaalsContact O-N 3.13Å |
| 110 | A | 83.6 | Confident | 77 | Confident | 41 Ų | 41 | 118.6 Ų | 118.6 | 34% | 0.339 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -55 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | I106 T107 R112 R113 E114 | I106-A110 WeakPolarHBondContact O-CB 3.29Å; I106-A110 PolarHBondContact O-N 3.07Å; T107-A110 PolarHBondContact O-N 2.99Å; A110-R112 PolarHBondContact O-N 2.88Å; A110-R113 WeakPolarHBondContact O-CA 3.49Å; A110-R113 WeakPolarHBondContact O-CB 3.49Å; A110-R113 PolarHBondContact O-N 3.41Å; A110-E114 PolarHBondContact O-N 3.09Å |
| 111 | R | 85.7 | Confident | 78.1 | Confident | 185 Ų | 185 | 117.1 Ų | 117.1 | 70% | 0.698 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.6 | -36 | 177.1 | -169 | -177 | -71.5 | -172.9 | -3.7 | 112.8 | T107 E114 A115 | T107-R111 PolarHBondContact O-N 3.33Å; R111-E114 WeakPolarHBondContact CA-OE2 3.5Å; R111-A115 WeakPolarHBondContact O-CB 3.44Å; R111-A115 PolarHBondContact O-N 3.42Å |
| 112 | R | 88.5 | Confident | 79.2 | Confident | 170 Ų | 170 | 111.4 Ų | 111.4 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.8 | -29.6 | 172.8 | -82.5 | 175.8 | 165.9 | -170.7 | -6.9 | 113.8 | K108 A110 K116 | K108-R112 WeakPolarHBondContact O-CB 3.35Å; K108-R112 VanDerWaalsContact O-CG 3.28Å; K108-R112 WeakPolarHBondContact O-CG 3.38Å; K108-R112 PolarHBondContact O-N 3.26Å; K108-R112 VanDerWaalsContact O-N 3.07Å; A110-R112 PolarHBondContact O-N 2.88Å; R112-K116 WeakPolarHBondContact O-CG 3.44Å; R112-K116 PolarHBondContact O-N 2.82Å |
| 113 | R | 88.6 | Confident | 79.8 | Confident | 167 Ų | 167 | 114.1 Ų | 114.1 | 63% | 0.63 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.5 | -44.7 | 173 | -77.8 | 175.7 | 167.4 | 174 | -5 | 111.2 | R109 A110 A115 K116 Q117 | R109-R113 WeakPolarHBondContact O-CG 3.39Å; R109-R113 PolarHBondContact O-N 3.13Å; R109-R113 VanDerWaalsContact O-N 3.13Å; A110-R113 WeakPolarHBondContact O-CA 3.49Å; A110-R113 WeakPolarHBondContact O-CB 3.49Å; A110-R113 PolarHBondContact O-N 3.41Å; R113-A115 PolarHBondContact O-N 3.46Å; R113-K116 PolarHBondContact O-N 3.26Å; R113-Q117 WeakPolarHBondContact O-CG 3.1Å; R113-Q117 PolarHBondContact O-N 3.29Å |
| 114 | E | 85 | Confident | 80.1 | Confident | 106 Ų | 106 | 112.1 Ų | 112.1 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.9 | -48.6 | 176.4 | -67.4 | 163.8 | 170 | 0 | 0 | 111.2 | A110 R111 K116 Q117 Q118 | A110-E114 PolarHBondContact O-N 3.09Å; R111-E114 WeakPolarHBondContact CA-OE2 3.5Å; E114-K116 VanDerWaalsContact C-N 3.35Å; E114-K116 PolarHBondContact O-N 3.32Å; E114-Q117 PolarHBondContact O-N 3.42Å; E114-Q117 VanDerWaalsContact O-N 3.16Å; E114-Q118 WeakPolarHBondContact O-CG 3.45Å; E114-Q118 PolarHBondContact O-N 3.03Å |
| 115 | A | 85.4 | Confident | 79.5 | Confident | 54 Ų | 54 | 107.9 Ų | 107.9 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R111 R113 Q118 A119 | R111-A115 WeakPolarHBondContact O-CB 3.44Å; R111-A115 PolarHBondContact O-N 3.42Å; R113-A115 PolarHBondContact O-N 3.46Å; A115-Q118 PolarHBondContact O-N 2.89Å; A115-A119 WeakPolarHBondContact O-CB 3.46Å; A115-A119 PolarHBondContact O-N 2.98Å |
| 116 | K | 89.3 | Confident | 79.1 | Confident | 166 Ų | 166 | 109 Ų | 109 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.2 | -36 | 174.2 | -80.9 | -165.6 | 171.8 | -157.3 | 0 | 112.7 | R112 R113 E114 A120 | R112-K116 WeakPolarHBondContact O-CG 3.44Å; R112-K116 PolarHBondContact O-N 2.82Å; R113-K116 PolarHBondContact O-N 3.26Å; E114-K116 VanDerWaalsContact C-N 3.35Å; E114-K116 PolarHBondContact O-N 3.32Å; K116-A120 WeakPolarHBondContact O-CB 3.18Å; K116-A120 PolarHBondContact O-N 2.77Å |
| 117 | Q | 84.8 | Confident | 78 | Confident | 136 Ų | 136 | 110.9 Ų | 110.9 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.8 | -39.2 | 175.3 | -74.2 | 173.6 | -16.1 | 0 | 0 | 111.8 | R113 E114 A120 A121 | R113-Q117 WeakPolarHBondContact O-CG 3.1Å; R113-Q117 PolarHBondContact O-N 3.29Å; E114-Q117 PolarHBondContact O-N 3.42Å; E114-Q117 VanDerWaalsContact O-N 3.16Å; Q117-A120 PolarHBondContact O-N 3.05Å; Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 3.09Å |
| 118 | Q | 82.3 | Confident | 76.3 | Confident | 144 Ų | 144 | 110.6 Ų | 110.6 | 67% | 0.673 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.7 | -43 | 174.3 | -72 | 173.5 | -12.6 | 0 | 0 | 112.1 | E114 A115 A121 A122 | E114-Q118 WeakPolarHBondContact O-CG 3.45Å; E114-Q118 PolarHBondContact O-N 3.03Å; A115-Q118 PolarHBondContact O-N 2.89Å; Q118-A121 PolarHBondContact O-N 3.37Å; Q118-A122 PolarHBondContact O-N 3.11Å |
| 119 | A | 84.9 | Confident | 74.4 | Confident | 51 Ų | 51 | 113.2 Ų | 113.2 | 42% | 0.421 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.9 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A115 A122 I123 | A115-A119 WeakPolarHBondContact O-CB 3.46Å; A115-A119 PolarHBondContact O-N 2.98Å; A119-A122 PolarHBondContact O-N 3.37Å; A119-I123 WeakPolarHBondContact O-CG1 3.17Å; A119-I123 PolarHBondContact O-N 3.02Å; A119-I123 VanDerWaalsContact O-N 3.08Å |
| 120 | A | 83.1 | Confident | 72.3 | Confident | 57 Ų | 57 | 113.7 Ų | 113.7 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.4 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K116 Q117 I123 A124 | K116-A120 WeakPolarHBondContact O-CB 3.18Å; K116-A120 PolarHBondContact O-N 2.77Å; Q117-A120 PolarHBondContact O-N 3.05Å; A120-I123 PolarHBondContact O-N 3.27Å; A120-A124 VanDerWaalsContact O-CB 3.26Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.45Å |
| 121 | A | 78.5 | Confident | 70.3 | Confident | 64 Ų | 64 | 118.9 Ų | 118.9 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.8 | -34.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q117 Q118 S125 | Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 3.09Å; Q118-A121 PolarHBondContact O-N 3.37Å; A121-S125 PolarHBondContact O-N 2.94Å |
| 122 | A | 76.5 | Confident | 68.2 | Low | 70 Ų | 70 | 119.8 Ų | 119.8 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.1 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q118 A119 S125 | Q118-A122 PolarHBondContact O-N 3.11Å; A119-A122 PolarHBondContact O-N 3.37Å; A122-S125 PolarHBondContact O-N 3.18Å |
| 123 | I | 69.6 | Low | 65.8 | Low | 149 Ų | 149 | 117.2 Ų | 117.2 | 76% | 0.764 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.7 | -33.1 | 176.1 | -64.7 | 165.1 | 0 | 0 | 0 | 111.4 | A119 A120 S125 | A119-I123 WeakPolarHBondContact O-CG1 3.17Å; A119-I123 PolarHBondContact O-N 3.02Å; A119-I123 VanDerWaalsContact O-N 3.08Å; A120-I123 PolarHBondContact O-N 3.27Å; I123-S125 PolarHBondContact O-N 3.03Å |
| 124 | A | 64 | Low | 63.6 | Low | 82 Ų | 82 | 117 Ų | 117 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | A120 | A120-A124 VanDerWaalsContact O-CB 3.26Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.45Å |
| 125 | S | 53.5 | Low | 61.3 | Low | 72 Ų | 72 | 119 Ų | 119 | 50% | 0.503 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -84.2 | 115.8 | 169.5 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | A121 A122 I123 V127 | A121-S125 PolarHBondContact O-N 2.94Å; A122-S125 PolarHBondContact O-N 3.18Å; I123-S125 PolarHBondContact O-N 3.03Å; S125-V127 PolarHBondContact O-N 3.27Å |
| 126 | P | 58.6 | Low | 59.1 | Low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | | | trans | -63.1 | 125.6 | -175.2 | 24.7 | -33.5 | 0 | 0 | 0 | 111.3 | G128 | P126-G128 VanDerWaalsContact C-N 3.3Å; P126-G128 PolarHBondContact O-N 3.41Å |
| 127 | V | 50 | Low | 56.6 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 79% | 0.788 | 69% | 0.686 | S | S | * | * | | | trans | -76.9 | 84 | 175 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | S125 K129 | S125-V127 PolarHBondContact O-N 3.27Å; V127-K129 HydrophobicContact CG1-CB 4.32Å; V127-K129 PolarHBondContact O-N 3.43Å |
| 128 | G | 43.8 | Very low | 54.7 | Low | 79 Ų | 79 | 118.8 Ų | 118.8 | 81% | 0.814 | 70% | 0.696 | S | S | * | * | | | trans | -70.7 | 69.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P126 | P126-G128 VanDerWaalsContact C-N 3.3Å; P126-G128 PolarHBondContact O-N 3.41Å |
| 129 | K | 43.7 | Very low | 52.9 | Low | 186 Ų | 186 | 117.5 Ų | 117.5 | 81% | 0.809 | 70% | 0.698 | S | S | * | * | | | trans | -144.5 | 70.8 | 175.1 | -72.5 | -163.9 | 174.2 | -173.7 | 0 | 112.1 | V127 | V127-K129 HydrophobicContact CG1-CB 4.32Å; V127-K129 PolarHBondContact O-N 3.43Å |
| 130 | E | 39.6 | Very low | 51 | Low | 161 Ų | 161 | 120.6 Ų | 120.6 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | | | trans | -135.5 | 122.1 | 170.1 | -87.5 | -132.5 | 84.6 | 0 | 0 | 113.6 | | |
| 131 | Q | 40.8 | Very low | 49.1 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | | | trans | 73.2 | 151.7 | 148.2 | -55.2 | -174.3 | 22.6 | 0 | 0 | 122.2 | | |
| 132 | K | 41.3 | Very low | 47.3 | Very low | 204 Ų | 204 | 124.8 Ų | 124.8 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | | | trans | 73.2 | 141.9 | 174.1 | -59.5 | 175.3 | -177.9 | 174.8 | 0 | 115.6 | | |
| 133 | S | 37.8 | Very low | 45.9 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | | | cis | -149.1 | -174.7 | -1.8 | -156.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 134 | L | 43.4 | Very low | 44.7 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | | | trans | -92.1 | 123.5 | -159.8 | -64.4 | 149.6 | 0 | 0 | 0 | 117.2 | | |
| 135 | K | 35.7 | Very low | 44 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | | | trans | 29.9 | 136.7 | 130.6 | -171.7 | 166.1 | -175.7 | 162.2 | 0 | 123.4 | S137 | K135-S137 WeakPolarHBondContact CE-OG 3.36Š|
| 136 | S | 40.2 | Very low | 43.5 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -140.3 | 172.7 | 150.1 | -166.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 137 | S | 37.1 | Very low | 42.7 | Very low | 75 Ų | 75 | 132 Ų | 132 | 52% | 0.524 | 75% | 0.748 | S | S | . | * | | | trans | -161.9 | 170.3 | -167 | -58.6 | 0 | 0 | 0 | 0 | 116.3 | K135 | K135-S137 WeakPolarHBondContact CE-OG 3.36Š|
| 138 | L | 43.3 | Very low | 42.3 | Very low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -166.5 | 168.4 | 170.8 | -118.8 | 54.6 | 0 | 0 | 0 | 105 | | |
| 139 | T | 44.6 | Very low | 42.3 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | cis | -177 | 179.1 | -21.1 | 23.8 | 0 | 0 | 0 | 0 | 105 | | |
| 140 | T | 45.7 | Very low | 42.3 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | cis | -179.3 | 140.2 | -12.4 | -92.6 | 0 | 0 | 0 | 0 | 103.6 | | |
| 141 | T | 43.8 | Very low | 42 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | | | cis | -156.3 | 151.3 | -0.9 | 24.2 | 0 | 0 | 0 | 0 | 107 | | |
| 142 | T | 39.5 | Very low | 42 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 64% | 0.638 | 76% | 0.759 | S | S | * | * | | | | 65.4 | 142.3 | 91.4 | -28.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 143 | H | 47.6 | Very low | 41.9 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | cis | -155.3 | 133.5 | 40 | -53.8 | -106.2 | 0 | 0 | 0 | 112.4 | | |
| 144 | T | 44.7 | Very low | 41.8 | Very low | 131 Ų | 131 | 126 Ų | 126 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | | 106.4 | 155.9 | 99.5 | 48.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 145 | P | 48.6 | Very low | 41.7 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | | | trans | -134.1 | -133.2 | -143.6 | 46.9 | -30.1 | 0 | 0 | 0 | 117.6 | | |
| 146 | T | 42.7 | Very low | 41.8 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 86.8 | 151.8 | -176.6 | -9.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 147 | T | 42.1 | Very low | 41.5 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | cis | -144.1 | 138.3 | 21.5 | 57.3 | 0 | 0 | 0 | 0 | 118 | | |
| 148 | R | 43 | Very low | 41.5 | Very low | 233 Ų | 233 | 132.1 Ų | 132.1 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | 21.5 | 125.5 | 142.6 | -57.9 | 171.5 | 70.2 | -167.4 | 3.4 | 123 | | |
| 149 | S | 42.9 | Very low | 41.2 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | | | | 158.1 | 152.3 | 122.9 | 51 | 0 | 0 | 0 | 0 | 112.4 | | |
| 150 | S | 42.7 | Very low | 40.7 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -155.8 | 144.4 | -32.1 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 151 | C | 35.1 | Very low | 40.4 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 28.2 | 120.6 | 161.5 | 60.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 152 | G | 39.5 | Very low | 40.3 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -161.2 | 108.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 153 | N | 40.5 | Very low | 40.1 | Very low | 172 Ų | 172 | 134 Ų | 134 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | | | trans | -99 | 151.3 | -168.3 | -80 | -6 | 0 | 0 | 0 | 113.8 | | |
| 154 | G | 35.3 | Very low | 39.6 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | trans | 114.8 | 72.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 155 | H | 40.8 | Very low | 39.3 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -128.7 | 91.4 | 162.7 | -79.2 | -12 | 0 | 0 | 0 | 112.1 | | |
| 156 | H | 38.4 | Very low | 38.7 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | | | trans | -133.2 | 85.1 | 168.7 | -87 | -91.5 | 0 | 0 | 0 | 109.6 | | |
| 157 | C | 33.9 | Very low | 38.4 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | | | trans | -164.9 | 56.2 | 173.1 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | N159 | C157-N159 VanDerWaalsContact C-N 3.33Å; C157-N159 PolarHBondContact O-N 3Å |
| 158 | S | 37.2 | Very low | 38.3 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 97% | 0.972 | 83% | 0.828 | S | S | * | * | | | trans | -73.6 | 89.1 | 160.8 | -61 | 0 | 0 | 0 | 0 | 109.3 | | |
| 159 | N | 35.4 | Very low | 37.8 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | | | trans | -119 | 153.9 | -176.2 | -153.4 | -3.2 | 0 | 0 | 0 | 112.4 | C157 | C157-N159 VanDerWaalsContact C-N 3.33Å; C157-N159 PolarHBondContact O-N 3Å |
| 160 | N | 35.1 | Very low | 37.3 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | | | trans | -65.3 | 151.2 | -173.6 | -68.9 | -65.8 | 0 | 0 | 0 | 113.4 | | |
| 161 | S | 38.5 | Very low | 36.9 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | | 175.8 | 89.7 | 114.6 | -77.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 162 | S | 42.3 | Very low | 37 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -158.3 | 112.7 | 146.4 | -35.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 163 | C | 36.4 | Very low | 37.1 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | 21.5 | 116.8 | 139.4 | -44.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 164 | S | 36.9 | Very low | 36.9 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | cis | 46.2 | 125.4 | 37.4 | -56 | 0 | 0 | 0 | 0 | 112.2 | | |
| 165 | R | 38 | Very low | 37.1 | Very low | 251 Ų | 251 | 144.4 Ų | 144.4 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | | | cis | -145.7 | 176 | 22.3 | -55.1 | 156.1 | 113.7 | 144.3 | -3.1 | 106.3 | | |
| 166 | G | 36.8 | Very low | 36.9 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | cis | 159.5 | 119.2 | 3.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 167 | N | 34.5 | Very low | 37.3 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -91.4 | 130.2 | -170.8 | -167.9 | 12.9 | 0 | 0 | 0 | 110.8 | | |
| 168 | L | 40 | Very low | 37.7 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -146 | 135 | -177.1 | -124.9 | 102.1 | 0 | 0 | 0 | 113.4 | | |
| 169 | H | 33.5 | Very low | 37.8 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -68.8 | 148.9 | 159.4 | -78.7 | 166.9 | 0 | 0 | 0 | 110.8 | | |
| 170 | Y | 32.6 | Very low | 37.9 | Very low | 215 Ų | 215 | 143.3 Ų | 143.3 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | | -169 | -179.9 | 103.7 | -158.9 | -120.2 | 0 | 0 | 0 | 111.9 | | |
| 171 | T | 34.1 | Very low | 38 | Very low | 81 Ų | 81 | 142.3 Ų | 142.3 | 50% | 0.497 | 76% | 0.76 | S | S | . | * | | | trans | -101.7 | 171.4 | -155.7 | 60.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 172 | Q | 36.7 | Very low | 38 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | 74.6 | 152.1 | 154.9 | -76 | 177.4 | -4.7 | 0 | 0 | 117 | | |
| 173 | T | 41.3 | Very low | 37.9 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | | | cis | -154.5 | 160.1 | 6.9 | 0.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 174 | N | 36.4 | Very low | 37.9 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | | | trans | 30.7 | 151.4 | 146.3 | -67.2 | -32.5 | 0 | 0 | 0 | 122.3 | | |
| 175 | A | 40.2 | Very low | 38 | Very low | 84 Ų | 84 | 143 Ų | 143 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | | | cis | -157.5 | 147.6 | 2.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 176 | K | 36.7 | Very low | 38 | Very low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | | | | 57.4 | 149.8 | 82.7 | -105.1 | -157.1 | 172.7 | -158.6 | 0 | 115.5 | | |
| 177 | P | 47.1 | Very low | 38 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 60% | 0.597 | 74% | 0.739 | S | S | * | * | | | cis | -145.2 | -171.9 | -10.8 | 38.5 | -16.2 | 0 | 0 | 0 | 117.2 | | |
| 178 | E | 40.9 | Very low | 38.1 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 61% | 0.612 | 73% | 0.733 | S | S | * | * | | | trans | 65.1 | 160.7 | 163.6 | -49 | -48.4 | 118.7 | 0 | 0 | 119.8 | | |
| 179 | H | 40.1 | Very low | 38 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | | | cis | -143.8 | 138.5 | 4.9 | -102.6 | -64.5 | 0 | 0 | 0 | 111.9 | | |
| 180 | Y | 36.9 | Very low | 38.4 | Very low | 188 Ų | 188 | 139 Ų | 139 | 74% | 0.737 | 73% | 0.732 | S | S | * | * | | | trans | 54.5 | 150.4 | 133.4 | -71.9 | -136 | 0 | 0 | 0 | 120.1 | | |
| 181 | L | 39.1 | Very low | 38.7 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | | | cis | -163.3 | 150.9 | 5.3 | -123.8 | 173.2 | 0 | 0 | 0 | 110.3 | | |
| 182 | H | 38.2 | Very low | 38.8 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | 43.8 | 152.6 | 150.5 | -79.3 | -174.6 | 0 | 0 | 0 | 122.6 | | |
| 183 | T | 38.7 | Very low | 39.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | | | cis | -154.7 | 156.8 | 5.8 | -3.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 184 | S | 36.7 | Very low | 38.9 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -11.8 | 148.7 | 157.2 | 56.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 185 | S | 40.3 | Very low | 38.8 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | -159.5 | 135.3 | 51.5 | -59.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 186 | S | 38.1 | Very low | 38.7 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 11.8 | 128.5 | 150.8 | 62.3 | 0 | 0 | 0 | 0 | 123 | | |
| 187 | C | 36.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 89% | 0.892 | 75% | 0.75 | S | S | * | * | | | trans | -131.5 | 123.9 | 138.2 | 64.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 188 | I | 37 | Very low | 38.3 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | -101.2 | 116.9 | -171 | -64.7 | 178.7 | 0 | 0 | 0 | 111.4 | V190 | I188-V190 HydrophobicContact CG2-CG2 3.78Š|
| 189 | R | 36.6 | Very low | 38 | Very low | 227 Ų | 227 | 144.6 Ų | 144.6 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -122.2 | 96.2 | 163.8 | 178.9 | -172.5 | -81.5 | -165.8 | -2.5 | 109.1 | Q191 | R189-Q191 PolarHBondContact O-N 3.19Š|
| 190 | V | 42.3 | Very low | 38 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 117.3 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | I188 | I188-V190 HydrophobicContact CG2-CG2 3.78Š|
| 191 | Q | 39.8 | Very low | 38.2 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 156.1 | 162.7 | -77.1 | -176.8 | -46.8 | 0 | 0 | 110.9 | R189 | R189-Q191 PolarHBondContact O-N 3.19Š|
| 192 | S | 34.4 | Very low | 38.3 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 134.8 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 112 | | |
| 193 | N | 45.3 | Very low | 38 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 150.5 | 166.5 | -155 | 11.8 | 0 | 0 | 0 | 111.8 | | |
| 194 | M | 34.9 | Very low | 38.1 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | | | trans | -125.6 | -175.8 | 169.8 | -73.1 | -97.5 | 69.4 | 0 | 0 | 107.8 | | |
| 195 | F | 35.2 | Very low | 38.3 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | | | trans | 70.6 | 146.4 | -171.5 | -82.8 | -120.5 | 0 | 0 | 0 | 114 | | |
| 196 | S | 37.1 | Very low | 38.1 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | cis | -151.4 | 177.5 | -17 | -155.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 197 | Q | 37.8 | Very low | 38.3 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | -73.3 | 144.8 | 171.9 | -53.8 | 167.6 | 20.2 | 0 | 0 | 111.3 | | |
| 198 | Q | 39.4 | Very low | 38.3 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -160.4 | 141.1 | 133.9 | -113.2 | 165.1 | 63.2 | 0 | 0 | 110.2 | | |
| 199 | S | 33.6 | Very low | 38.7 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -116.9 | 133.6 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 200 | Y | 39.7 | Very low | 38.8 | Very low | 213 Ų | 213 | 143.5 Ų | 143.5 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | -136.9 | 144.1 | 164.2 | -91.4 | -77.2 | 0 | 0 | 0 | 110.5 | | |
| 201 | V | 41.9 | Very low | 38.9 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | | | trans | -95.4 | 147.1 | -179 | -78.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 202 | G | 41.3 | Very low | 38.8 | Very low | 82 Ų | 82 | 142 Ų | 142 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -159.4 | 120.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 203 | G | 32.2 | Very low | 39.1 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | | | trans | -124 | -161.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 204 | T | 40.4 | Very low | 38.8 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | 73.5 | 150.5 | -168.3 | 86.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 205 | T | 41.2 | Very low | 39.1 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | cis | -140.4 | 165.3 | 1.5 | -28.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 206 | R | 35.7 | Very low | 39.4 | Very low | 219 Ų | 219 | 138.1 Ų | 138.1 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -82.1 | 148.9 | 172 | -64.3 | 159.6 | 65 | -167 | 3.7 | 111 | | |
| 207 | S | 42.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -144.7 | 149.1 | 151.2 | -89.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 208 | S | 37.2 | Very low | 39.5 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -115.9 | 147.4 | -170.4 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 209 | A | 44.3 | Very low | 39.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | trans | -142.5 | 134.6 | 160 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 210 | Q | 38.7 | Very low | 39.7 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -108.2 | 139.4 | 178.7 | -64.1 | 172.5 | -78 | 0 | 0 | 109.8 | | |
| 211 | H | 45.6 | Very low | 39.5 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | | | trans | -146.4 | 164.8 | 152.1 | -150.3 | -102.9 | 0 | 0 | 0 | 110.6 | | |
| 212 | S | 37.6 | Very low | 39.1 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 52% | 0.524 | 80% | 0.804 | S | S | . | * | | | trans | -133.2 | 154.1 | -137.6 | -51.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 213 | Q | 39.5 | Very low | 38.9 | Very low | 196 Ų | 196 | 138 Ų | 138 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | 71.7 | 147.6 | 165.4 | -54.9 | 167.9 | 25.5 | 0 | 0 | 114.4 | | |
| 214 | A | 39 | Very low | 39.1 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | | | cis | -151.1 | 157.4 | 27 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 215 | L | 41.2 | Very low | 39.2 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | 40.7 | 139.6 | 138.3 | -56.4 | 174.2 | 0 | 0 | 0 | 121.1 | | |
| 216 | S | 41.6 | Very low | 38.9 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | cis | -165.8 | 150.1 | 2 | 48.6 | 0 | 0 | 0 | 0 | 115 | | |
| 217 | N | 40.3 | Very low | 39.1 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | | | trans | 46.5 | 136.1 | 142.7 | -57.1 | -8.5 | 0 | 0 | 0 | 124.9 | | |
| 218 | G | 37.7 | Very low | 38.8 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | 127.6 | 66.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 219 | F | 38.3 | Very low | 39.1 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | | 68.1 | 129.5 | 72.9 | -94.5 | -66.6 | 0 | 0 | 0 | 118.8 | | |
| 220 | R | 37.6 | Very low | 38.8 | Very low | 227 Ų | 227 | 147.3 Ų | 147.3 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | | | trans | 76.5 | 149.8 | 167.3 | -58.8 | 178.2 | -175.4 | -112.9 | 2.2 | 117.8 | | |
| 221 | C | 35.4 | Very low | 38.8 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | cis | -163.4 | 166.7 | -27 | -107.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 222 | S | 34.8 | Very low | 38.3 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -71.8 | 156.7 | -175.6 | -35.3 | 0 | 0 | 0 | 0 | 116 | | |
| 223 | S | 36.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | | -165.1 | 165.2 | 123.9 | -154.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 224 | H | 36.4 | Very low | 38.3 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | -91.8 | 157.4 | 179.9 | -69.2 | -119.2 | 0 | 0 | 0 | 112.9 | | |
| 225 | K | 42.4 | Very low | 38.3 | Very low | 216 Ų | 216 | 148.4 Ų | 148.4 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | | | | -162 | 157.2 | 121.6 | -109.5 | 165.4 | -173.6 | 179 | 0 | 112.8 | | |
| 226 | N | 34.3 | Very low | 38.2 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | | | trans | -128.7 | 142.7 | -176.9 | 178.2 | 15.1 | 0 | 0 | 0 | 108.7 | | |
| 227 | S | 39.2 | Very low | 37.6 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -161.5 | 132.3 | 164.5 | -81.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 228 | N | 37 | Very low | 37.4 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | -70.7 | 158.6 | 172.8 | -62.7 | -55 | 0 | 0 | 0 | 111.5 | | |
| 229 | N | 43.9 | Very low | 37.1 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -151.8 | 150.1 | 131.2 | -114.2 | -47.3 | 0 | 0 | 0 | 112.3 | | |
| 230 | N | 36.6 | Very low | 37.1 | Very low | 134 Ų | 134 | 156.8 Ų | 156.8 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | | | trans | -140.5 | 129.1 | -166.8 | -180 | 11.4 | 0 | 0 | 0 | 110.9 | | |
| 231 | R | 39.3 | Very low | 36.8 | Very low | 240 Ų | 240 | 150.8 Ų | 150.8 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -173.1 | 110.4 | 166.8 | -93.4 | 144.6 | -165.9 | -154.2 | 4.6 | 105 | | |
| 232 | N | 36 | Very low | 36.9 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | cis | 61 | 107.2 | 46.6 | -165.3 | 21.4 | 0 | 0 | 0 | 114 | | |
| 233 | S | 41.4 | Very low | 37 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -154.6 | 130.2 | 154.7 | -93.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 234 | N | 35.2 | Very low | 37 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -153.1 | 115.9 | -168.6 | 168.8 | 48.1 | 0 | 0 | 0 | 109.9 | | |
| 235 | S | 38.9 | Very low | 37.1 | Very low | 99 Ų | 99 | 154.1 Ų | 154.1 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -161.4 | 127.3 | 178.7 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 236 | H | 38.8 | Very low | 36.8 | Very low | 167 Ų | 167 | 150 Ų | 150 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | 35.4 | 120.8 | 139.8 | -59.9 | -84.7 | 0 | 0 | 0 | 119.8 | | |
| 237 | C | 30.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 153 Ų | 153 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | | 63.6 | 116.3 | 64.3 | -60.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 238 | Y | 35.7 | Very low | 36.9 | Very low | 206 Ų | 206 | 154.1 Ų | 154.1 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | | -164.4 | 137.8 | 127.1 | -109.1 | -68.5 | 0 | 0 | 0 | 111.9 | | |
| 239 | N | 31.9 | Very low | 37.2 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -82.8 | 142.6 | 150.9 | -84.6 | -64.7 | 0 | 0 | 0 | 107.7 | | |
| 240 | R | 38 | Very low | 37 | Very low | 221 Ų | 221 | 152.4 Ų | 152.4 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -143.4 | 135.8 | 155.1 | -165.1 | 164 | -72.2 | -116.3 | 3.2 | 110.5 | | |
| 241 | S | 31.4 | Very low | 37.2 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -124.7 | 158.6 | 173.6 | -168.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 242 | L | 36.9 | Very low | 37.1 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | trans | 72.3 | 144.1 | 167 | -68.5 | 166.9 | 0 | 0 | 0 | 120.2 | | |
| 243 | N | 37.5 | Very low | 37.1 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | | | trans | 87 | 102.8 | 149.8 | -64.8 | -9.2 | 0 | 0 | 0 | 122.3 | | |
| 244 | H | 35.1 | Very low | 36.9 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | | | | 57.2 | 107.7 | 123.3 | -80.7 | -86.9 | 0 | 0 | 0 | 121.2 | | |
| 245 | H | 39.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | | 162.4 | 106.9 | 112.9 | -91.9 | -81.8 | 0 | 0 | 0 | 107.2 | | |
| 246 | N | 36 | Very low | 36.5 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | | | | 66 | 91.8 | 72.2 | -170.8 | 11.5 | 0 | 0 | 0 | 113.8 | | |
| 247 | K | 40.1 | Very low | 36.3 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -158.1 | 153.9 | 139.6 | -108.5 | 169.5 | -174.9 | -178.3 | 0 | 109.7 | | |
| 248 | N | 36.5 | Very low | 36.2 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | -71.5 | 156.7 | -171.6 | -48 | -23.6 | 0 | 0 | 0 | 111.9 | | |
| 249 | D | 42.7 | Very low | 36.4 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | | -154.3 | 168.8 | 102.2 | -124.7 | -39 | 0 | 0 | 0 | 113.3 | | |
| 250 | T | 40.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -84.4 | 143.8 | -166 | 55.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 251 | S | 39.9 | Very low | 36.6 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | | -176.5 | 129.8 | 124.5 | -82 | 0 | 0 | 0 | 0 | 114.3 | | |
| 252 | E | 37.7 | Very low | 36.8 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | 48.9 | 116.8 | 150.8 | -53.2 | -161.8 | 150.2 | 0 | 0 | 122.2 | | |
| 253 | H | 35.4 | Very low | 36.8 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | -85.6 | 140.5 | 159.5 | -80 | -112.5 | 0 | 0 | 0 | 111.1 | | |
| 254 | I | 38.5 | Very low | 36.9 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -122.5 | 116.6 | 151.4 | -64.9 | 179.8 | 0 | 0 | 0 | 108.8 | | |
| 255 | C | 32.5 | Very low | 36.9 | Very low | 104 Ų | 104 | 148 Ų | 148 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | trans | -133.4 | 114.9 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | S257 | C255-S257 PolarHBondContact O-N 2.85Š|
| 256 | C | 31.8 | Very low | 36.9 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -83.3 | 98.3 | 176.7 | -73.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 257 | S | 34.9 | Very low | 36.8 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -73.1 | 162.7 | 168.9 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | C255 | C255-S257 PolarHBondContact O-N 2.85Š|
| 258 | C | 28.3 | Very low | 36.6 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 86% | 0.858 | 79% | 0.789 | S | S | * | * | | | trans | -68.5 | 148.4 | 178.3 | -50 | 0 | 0 | 0 | 0 | 112.8 | | |
| 259 | T | 39.3 | Very low | 36.7 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -121.2 | 123.4 | 161.2 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 260 | I | 32.7 | Very low | 36.4 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -89.9 | 143.4 | 171.9 | -63.8 | 171.2 | 0 | 0 | 0 | 108.3 | | |
| 261 | L | 42.6 | Very low | 36.2 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -144.8 | 116.4 | 164.7 | -116.2 | 154.6 | 0 | 0 | 0 | 108.7 | | |
| 262 | E | 34.6 | Very low | 35.9 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -90.2 | 148.2 | 174.2 | -67.6 | -175.6 | 95 | 0 | 0 | 111.1 | | |
| 263 | Q | 38 | Very low | 35.9 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | 155 | 150.1 | 143 | -88.4 | 176.3 | 45.2 | 0 | 0 | 109.6 | | |
| 264 | K | 38.6 | Very low | 35.7 | Very low | 152 Ų | 152 | 148 Ų | 148 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | | | cis | -158.5 | 151.8 | -36.4 | -154.9 | 176.3 | 178.2 | -111.4 | 0 | 106.4 | | |
| 265 | E | 35.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 58% | 0.575 | 80% | 0.795 | S | S | * | * | | | trans | 30.6 | 124.9 | 161.2 | -70.9 | 150.5 | 167.8 | 0 | 0 | 120.5 | | |
| 266 | Y | 38.2 | Very low | 35.5 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | | | | -157.2 | 136.1 | 111.1 | -105.3 | -70.7 | 0 | 0 | 0 | 110.6 | | |
| 267 | L | 34.4 | Very low | 35.9 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | trans | -98.2 | 148.4 | -177.4 | -71.5 | 74.7 | 0 | 0 | 0 | 111.1 | | |
| 268 | S | 35.9 | Very low | 36.2 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | | | | -175.8 | 116.7 | 113.1 | -86.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 269 | K | 39.3 | Very low | 37.2 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | | | | 70.1 | 138 | 125.8 | -61.8 | 174.1 | -178.2 | 175.1 | 0 | 122.4 | | |
| 270 | S | 35.2 | Very low | 37.6 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | 85.2 | 139.9 | 159.7 | 79.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 271 | S | 37.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | cis | -159.9 | 148.3 | -26.3 | 41 | 0 | 0 | 0 | 0 | 110.9 | | |
| 272 | H | 32.5 | Very low | 38.1 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | -57.7 | 146.7 | -172.1 | -56.1 | 95.4 | 0 | 0 | 0 | 116.7 | | |
| 273 | S | 37 | Very low | 38.5 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | | -149.2 | 149.9 | 122.8 | 61 | 0 | 0 | 0 | 0 | 110.8 | | |
| 274 | Q | 31.6 | Very low | 38.9 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | | | trans | -101.1 | 139.9 | 175.6 | -65.7 | 179.6 | -8.6 | 0 | 0 | 109.7 | | |
| 275 | G | 33.8 | Very low | 39.3 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | -153.2 | 98.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T277 | G275-T277 PolarHBondContact O-N 3.2Š|
| 276 | A | 34.3 | Very low | 39.7 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -87.5 | 91.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R278 | A276-R278 VanDerWaalsContact C-N 3.3Å; A276-R278 PolarHBondContact O-N 3.25Å |
| 277 | T | 39 | Very low | 40 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | trans | -72.9 | 75.3 | 177.1 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | G275 | G275-T277 PolarHBondContact O-N 3.2Š|
| 278 | R | 42.1 | Very low | 40.5 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 137.6 | 170.5 | -75.3 | -169.4 | 173.9 | -158.5 | 0.9 | 111.4 | A276 R280 | A276-R278 VanDerWaalsContact C-N 3.3Å; A276-R278 PolarHBondContact O-N 3.25Å; R278-R280 PolarHBondContact O-N 3.09Å |
| 279 | T | 49.8 | Very low | 40.7 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | trans | -69.1 | 127.6 | -171.9 | -39.9 | 0 | 0 | 0 | 0 | 113 | A281 A282 | T279-A281 HydrophobicContact CG2-CB 4.5Å; T279-A281 PolarHBondContact O-N 2.8Å; T279-A282 PolarHBondContact O-N 2.97Å |
| 280 | R | 46.2 | Very low | 40.7 | Very low | 236 Ų | 236 | 131.2 Ų | 131.2 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -19.7 | -179.9 | -87.8 | -179.5 | -97.6 | -126.5 | -2.6 | 116.1 | R278 A282 | R278-R280 PolarHBondContact O-N 3.09Å; R280-A282 VanDerWaalsContact C-N 3.27Å; R280-A282 PolarHBondContact O-N 2.98Å |
| 281 | A | 43.8 | Very low | 41 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -10.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T279 | T279-A281 HydrophobicContact CG2-CB 4.5Å; T279-A281 PolarHBondContact O-N 2.8Å |
| 282 | A | 43 | Very low | 41 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 52% | 0.521 | 75% | 0.751 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -33.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T279 R280 A284 | T279-A282 PolarHBondContact O-N 2.97Å; R280-A282 VanDerWaalsContact C-N 3.27Å; R280-A282 PolarHBondContact O-N 2.98Å; A282-A284 PolarHBondContact O-N 3Å |
| 283 | A | 42 | Very low | 41.3 | Very low | 71 Ų | 71 | 125 Ų | 125 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -66.3 | -37.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | R285 Q286 | A283-R285 PolarHBondContact O-N 2.76Å; A283-Q286 PolarHBondContact O-N 2.92Å |
| 284 | A | 45.9 | Very low | 41.3 | Very low | 85 Ų | 85 | 124 Ų | 124 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -70.4 | 19 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A282 | A282-A284 PolarHBondContact O-N 3Š|
| 285 | R | 48.4 | Very low | 41.4 | Very low | 204 Ų | 204 | 119 Ų | 119 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -137.2 | 7.1 | 175 | -60.1 | -175.8 | -168.2 | -100.4 | -4.4 | 113.8 | A283 | A283-R285 PolarHBondContact O-N 2.76Š|
| 286 | Q | 44.5 | Very low | 41.5 | Very low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -4.1 | 177.3 | -61.9 | -165.1 | -78.4 | 0 | 0 | 113.5 | A283 | A283-Q286 PolarHBondContact O-N 2.92Š|
| 287 | L | 43.7 | Very low | 41.7 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -91.7 | -21.2 | 175.4 | -130.8 | 75.6 | 0 | 0 | 0 | 114 | | |
| 288 | E | 45.1 | Very low | 41.7 | Very low | 168 Ų | 168 | 128 Ų | 128 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -91.1 | -7.4 | -176.3 | -159.9 | 173.8 | -159.1 | 0 | 0 | 113 | | |
| 289 | A | 39 | Very low | 41.5 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -108.7 | 1.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 290 | A | 39.5 | Very low | 41 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -107.9 | -9.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 291 | S | 41.8 | Very low | 40.8 | Very low | 97 Ų | 97 | 119.2 Ų | 119.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -97.4 | -6.3 | -175.4 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 292 | A | 38.9 | Very low | 40.5 | Very low | 95 Ų | 95 | 119 Ų | 119 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -105.9 | 12.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 293 | A | 38.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -131.7 | 13.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 294 | A | 36.8 | Very low | 40.1 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -127.4 | 18.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 295 | A | 34.3 | Very low | 39.7 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -133.5 | 150.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 296 | C | 36 | Very low | 39 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | | | trans | 64.1 | 49.4 | 175.6 | -65.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 297 | T | 37 | Very low | 38.8 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -109.5 | 87.6 | 150 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 298 | R | 38.8 | Very low | 38.8 | Very low | 228 Ų | 228 | 122.9 Ų | 122.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -157.8 | 119.5 | 158.5 | -135.5 | 176.2 | -72.6 | -176.6 | -1.4 | 112.7 | | |
| 299 | N | 39 | Very low | 38.8 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | 43.3 | 105.3 | 154.5 | -56.3 | 1.7 | 0 | 0 | 0 | 119.7 | | |
| 300 | T | 39.2 | Very low | 38.8 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | | | | -160.9 | 142.5 | 110.3 | 10.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 301 | A | 41.4 | Very low | 38.5 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -136.5 | 118.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 302 | G | 37.7 | Very low | 38.3 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | 74 | 170.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 303 | V | 38.9 | Very low | 38.1 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | cis | -145.2 | 165.4 | -10.8 | -169 | 0 | 0 | 0 | 0 | 107.7 | | |
| 304 | L | 37.4 | Very low | 38.1 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | -11.4 | 150.6 | 162 | -56.3 | 165.1 | 0 | 0 | 0 | 117.9 | | |
| 305 | S | 37.5 | Very low | 38 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | cis | -166.3 | 164.7 | 16.5 | -139.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 306 | T | 34.5 | Very low | 37.9 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | 9.2 | 123.6 | 149.3 | 55.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 307 | S | 39.9 | Very low | 37.8 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | | -163.7 | 164.3 | 125 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 308 | L | 43.8 | Very low | 37.8 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | | | trans | -100.6 | 171.7 | -158.6 | -80.8 | 163.2 | 0 | 0 | 0 | 114.9 | | |
| 309 | P | 46.1 | Very low | 37.8 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | -112 | 178.7 | -164.1 | 43.2 | -36.4 | 0 | 0 | 0 | 115.4 | | |
| 310 | L | 37.7 | Very low | 37.8 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -156.7 | 133.7 | 152.5 | -121.9 | 60.4 | 0 | 0 | 0 | 107.7 | | |
| 311 | C | 33.9 | Very low | 37.6 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | | | | 58.5 | 132.6 | 90.2 | -156.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 312 | G | 36.5 | Very low | 37.5 | Very low | 60 Ų | 60 | 121.4 Ų | 121.4 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | | | cis | -159 | 167.8 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 313 | S | 35.3 | Very low | 37.6 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | | 113.5 | 154 | 57.7 | -73.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 314 | H | 37.9 | Very low | 37.7 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | 79.6 | 130.5 | 158.4 | -67.3 | -64.1 | 0 | 0 | 0 | 123.3 | | |
| 315 | H | 34.9 | Very low | 37.8 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 68% | 0.676 | 74% | 0.741 | S | S | * | * | | | trans | 60.1 | 148.5 | 133.1 | -68.2 | -51.2 | 0 | 0 | 0 | 121.6 | | |
| 316 | H | 32.1 | Very low | 38.1 | Very low | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | cis | -172.3 | 169.6 | -23.3 | -142.8 | -129.4 | 0 | 0 | 0 | 110.1 | | |
| 317 | S | 34 | Very low | 38.9 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | | | trans | 63.5 | 150.4 | 148.6 | -66.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 318 | S | 36.9 | Very low | 38.9 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | | | trans | 74.2 | 146.8 | 146.4 | -63.6 | 0 | 0 | 0 | 0 | 120 | | |
| 319 | S | 38.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | cis | -169.4 | 165.5 | -15.6 | -101.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 320 | S | 39.1 | Very low | 38.7 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | | | trans | 71.3 | 157.4 | 152.7 | -66.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 321 | S | 36.1 | Very low | 38.9 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | cis | -172.4 | 173.8 | -32 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 322 | L | 38.3 | Very low | 39.1 | Very low | 152 Ų | 152 | 128 Ų | 128 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | | | trans | 80.7 | 125.6 | 167.7 | -49.2 | -177.7 | 0 | 0 | 0 | 116.9 | | |
| 323 | V | 40.7 | Very low | 39.4 | Very low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | | | cis | 96.6 | 118.8 | 35 | 171 | 0 | 0 | 0 | 0 | 110.4 | | |
| 324 | L | 40.6 | Very low | 39.5 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | | | | -160.2 | 146.1 | 72.8 | -71.5 | 162.5 | 0 | 0 | 0 | 114.3 | | |
| 325 | H | 40.2 | Very low | 39.9 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | | | trans | 54.4 | 157 | 134.4 | -69.7 | 71.6 | 0 | 0 | 0 | 124.1 | | |
| 326 | S | 43.1 | Very low | 40.1 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | | | cis | -178.3 | 167.6 | -29.2 | -97.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 327 | K | 50.4 | Low | 40.3 | Very low | 204 Ų | 204 | 129 Ų | 129 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | | | trans | 81.5 | 124 | 172.1 | -52.6 | 176.5 | -177.6 | 177.7 | 0 | 115 | | |
| 328 | N | 40.4 | Very low | 40.5 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | cis | 99.1 | 157.7 | 18 | -159.1 | 21.8 | 0 | 0 | 0 | 115.1 | | |
| 329 | I | 43.3 | Very low | 40.5 | Very low | 157 Ų | 157 | 131 Ų | 131 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | | | trans | 90.1 | 132.9 | -167.3 | -54.9 | 165.9 | 0 | 0 | 0 | 112.8 | | |
| 330 | Q | 42.8 | Very low | 40.6 | Very low | 141 Ų | 141 | 134 Ų | 134 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | | | cis | 159.4 | 135 | -44.4 | 173.7 | 177.6 | -7.4 | 0 | 0 | 109.8 | | |
| 331 | M | 41 | Very low | 40.5 | Very low | 156 Ų | 156 | 136 Ų | 136 | 77% | 0.768 | 75% | 0.747 | S | S | * | * | | | trans | 150.9 | 120.7 | 144 | -80.9 | -57.6 | -159 | 0 | 0 | 108.9 | | |
| 332 | T | 39 | Very low | 41.2 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | | | | 50.7 | 139.7 | 70.1 | 25.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 333 | I | 41.8 | Very low | 41.2 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | cis | -119.3 | -138.1 | 23.4 | -35.2 | 178.9 | 0 | 0 | 0 | 113 | | |
| 334 | S | 37.6 | Very low | 40.9 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -135.6 | -142.8 | -164.6 | -50.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 335 | P | 47.6 | Very low | 40.7 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | trans | -130.9 | -153.4 | -135.8 | 42.9 | -19.4 | 0 | 0 | 0 | 115.6 | | |
| 336 | D | 38 | Very low | 40.6 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | 116.2 | 144.8 | 144.3 | -153.4 | 12.4 | 0 | 0 | 0 | 118.6 | | |
| 337 | S | 37.1 | Very low | 40.3 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | trans | 52.7 | 156.1 | 158.6 | 63.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 338 | S | 37.3 | Very low | 39.6 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | cis | -159.9 | 176.8 | -31 | 66.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 339 | E | 37 | Very low | 39.2 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | trans | 26.6 | 126.8 | 152.9 | -60.3 | 150.1 | 120.7 | 0 | 0 | 121.2 | | |
| 340 | N | 40.3 | Very low | 38.9 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | | | | -174.8 | 166.3 | 98.7 | -100.4 | -76.5 | 0 | 0 | 0 | 114 | | |
| 341 | D | 38.8 | Very low | 38.4 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | | | trans | -88.7 | 167.6 | -166.3 | -100.4 | -49 | 0 | 0 | 0 | 116 | | |
| 342 | P | 49.2 | Very low | 38.2 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | trans | -98.4 | 165.9 | -170 | 39.3 | -37.3 | 0 | 0 | 0 | 115.3 | | |
| 343 | N | 38.3 | Very low | 37.7 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | -158.8 | 157.7 | 154.2 | -94.4 | -70.7 | 0 | 0 | 0 | 108.4 | | |
| 344 | N | 35.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | | | cis | 147.8 | 106.6 | -13 | 172 | 19 | 0 | 0 | 0 | 107.3 | | |
| 345 | S | 35.8 | Very low | 37.3 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -172.3 | 120.9 | 164.4 | -169.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 346 | Y | 38.6 | Very low | 36.9 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 73% | 0.725 | 74% | 0.743 | S | S | * | * | | | | 56.1 | 126.3 | 71.1 | -65.7 | -65.6 | 0 | 0 | 0 | 113 | | |
| 347 | D | 35.7 | Very low | 36.7 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | | | cis | -167.6 | -177.8 | -6.8 | -151.4 | -16.6 | 0 | 0 | 0 | 111.7 | | |
| 348 | I | 37.3 | Very low | 36.6 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | trans | 70.5 | 97.4 | 148.9 | -69.8 | 159.9 | 0 | 0 | 0 | 119.7 | | |
| 349 | N | 32 | Very low | 36.5 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | | 71.4 | 160.4 | 113.7 | -151.9 | 12.7 | 0 | 0 | 0 | 122.7 | | |
| 350 | Q | 35.7 | Very low | 36.4 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | 75.4 | 107.9 | 175.9 | -56.3 | 179.5 | 114.2 | 0 | 0 | 114.6 | | |
| 351 | Q | 33.1 | Very low | 36.1 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | | 64.7 | 104.5 | 75.1 | -72.3 | -173.2 | -22.2 | 0 | 0 | 114.4 | | |
| 352 | T | 36.6 | Very low | 36.1 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | | | trans | -159.1 | 150 | 139.2 | -74.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 353 | C | 28.6 | Very low | 35.4 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | | | trans | -87.4 | 164.6 | -177.8 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 354 | C | 34 | Very low | 35.2 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | | 144.7 | 138.4 | 128.3 | -77.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 355 | S | 36.8 | Very low | 35.1 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | 59.8 | 149.2 | 151.5 | -68 | 0 | 0 | 0 | 0 | 120.4 | | |
| 356 | E | 38.2 | Very low | 35 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | cis | -159.6 | 160.6 | -26.5 | -123.8 | 163.3 | 142.2 | 0 | 0 | 110.2 | | |
| 357 | T | 33.9 | Very low | 34.7 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 16.3 | 111.9 | 149.2 | -47.8 | 0 | 0 | 0 | 0 | 120 | | |
| 358 | A | 36.7 | Very low | 34.7 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | | -174.5 | 139.4 | 120.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 359 | T | 33.3 | Very low | 34.4 | Very low | 133 Ų | 133 | 127 Ų | 127 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -41.3 | 145.8 | 164.1 | 46.8 | 0 | 0 | 0 | 0 | 115 | | |
| 360 | S | 37 | Very low | 34.6 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | | -172.2 | 179.9 | 62 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 361 | A | 33.9 | Very low | 34.4 | Very low | 91 Ų | 91 | 127 Ų | 127 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -54.8 | 151.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 362 | S | 37.7 | Very low | 34.3 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | | -178.1 | 158.8 | 58.7 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 363 | S | 35.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 75.7 | 157.4 | 155.4 | 80.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 364 | C | 32.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | 72 | 74.1 | 157.3 | -65.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 365 | S | 34.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | | 94.8 | 151.3 | 116.2 | 83.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 366 | S | 34.3 | Very low | 34.6 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 82.3 | 147.9 | 165.2 | 85.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 367 | C | 32.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | 74.7 | 153.3 | 160.6 | -63.1 | 0 | 0 | 0 | 0 | 121 | | |
| 368 | C | 34.4 | Very low | 34.7 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | 67.4 | 96.7 | 164.9 | -62 | 0 | 0 | 0 | 0 | 120.8 | | |
| 369 | Y | 32.5 | Very low | 34.7 | Very low | 221 Ų | 221 | 129.9 Ų | 129.9 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | | 36.8 | 152.7 | 121.3 | -102.5 | -92.6 | 0 | 0 | 0 | 123.7 | | |
| 370 | F | 34.2 | Very low | 34.9 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | 98.9 | 148.5 | 159.1 | -96.7 | -83.2 | 0 | 0 | 0 | 121.8 | | |
| 371 | C | 31.8 | Very low | 34.7 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 72% | 0.716 | 81% | 0.81 | S | S | * | * | | | trans | 1.5 | 126.9 | 178.3 | -83.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 372 | C | 31.5 | Very low | 34.9 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | | | trans | -141.1 | 84.7 | 144.4 | -138 | 0 | 0 | 0 | 0 | 110 | | |
| 373 | C | 36.7 | Very low | 34.7 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | -149.4 | 101 | 169.8 | -88.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 374 | S | 37.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | | | trans | -75.3 | 174.7 | 177.5 | -46.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 375 | S | 35.7 | Very low | 35 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | 79.5 | 69.6 | 159.4 | -49.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 376 | C | 33.5 | Very low | 35 | Very low | 132 Ų | 132 | 127 Ų | 127 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | | | trans | -144.3 | 74.3 | 153.2 | -94.6 | 0 | 0 | 0 | 0 | 110.6 | A378 | C376-A378 PolarHBondContact O-N 3.43Š|
| 377 | C | 35.2 | Very low | 35.1 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 92% | 0.919 | 82% | 0.818 | S | S | * | * | | | trans | -80.1 | 91.9 | 168.2 | -64.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 378 | A | 38 | Very low | 35.3 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | | | trans | -84.3 | 120.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | C376 G380 | C376-A378 PolarHBondContact O-N 3.43Å; A378-G380 PolarHBondContact O-N 2.83Å |
| 379 | Y | 36.1 | Very low | 35.4 | Very low | 243 Ų | 243 | 126.1 Ų | 126.1 | 95% | 0.953 | 82% | 0.823 | S | S | * | * | | | trans | -75.8 | 115 | 164 | -106.1 | -97.3 | 0 | 0 | 0 | 108.8 | | |
| 380 | G | 37.5 | Very low | 35.7 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -122.6 | 131.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | A378 | A378-G380 PolarHBondContact O-N 2.83Š|
| 381 | G | 34.3 | Very low | 36 | Very low | 88 Ų | 88 | 118.2 Ų | 118.2 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | | | trans | -73.6 | 146 | -167 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 382 | G | 36.4 | Very low | 36.4 | Very low | 81 Ų | 81 | 118.2 Ų | 118.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -112.5 | 137.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 383 | S | 35.1 | Very low | 36.7 | Very low | 114 Ų | 114 | 115 Ų | 115 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -87.7 | 148.6 | -177.3 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 384 | L | 38 | Very low | 37 | Very low | 168 Ų | 168 | 119.1 Ų | 119.1 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | 159.9 | 139.8 | 156.1 | -88.7 | 157.8 | 0 | 0 | 0 | 105.2 | | |
| 385 | S | 36.3 | Very low | 37 | Very low | 85 Ų | 85 | 117.7 Ų | 117.7 | 59% | 0.594 | 82% | 0.815 | S | S | * | * | | | cis | 165.3 | 160.4 | -11.7 | 46.7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 386 | C | 32.9 | Very low | 37.2 | Very low | 116 Ų | 116 | 117.7 Ų | 117.7 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | 82.2 | 147.7 | 163.1 | -51.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 387 | C | 36.3 | Very low | 37.6 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | | | trans | 75.6 | 81.1 | 156.8 | -61.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 388 | S | 36.9 | Very low | 37.7 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | | 47.4 | 118.6 | 114.5 | -48.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 389 | G | 37.2 | Very low | 38.1 | Very low | 79 Ų | 79 | 119.1 Ų | 119.1 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -163.6 | 126.9 | 160 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 390 | S | 39 | Very low | 38.2 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -106 | 179.1 | -159.8 | -58.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 391 | T | 40.8 | Very low | 38.2 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | 82.8 | 150.6 | 167.1 | 73.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 392 | S | 39.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | | 175.8 | 135.9 | -53.7 | 46 | 0 | 0 | 0 | 0 | 109.2 | | |
| 393 | G | 39.3 | Very low | 38.3 | Very low | 65 Ų | 65 | 122.4 Ų | 122.4 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | | | trans | 161.6 | 76 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 394 | F | 41.2 | Very low | 38.3 | Very low | 211 Ų | 211 | 124.4 Ų | 124.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | | 66.7 | 115.8 | 95.6 | -72.2 | -60.2 | 0 | 0 | 0 | 114.5 | | |
| 395 | G | 39 | Very low | 38.2 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | 172.9 | 24.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 396 | S | 38.9 | Very low | 38.2 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -84.1 | 148.3 | -178.1 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 397 | N | 42.8 | Very low | 38.6 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | -153.9 | 139.3 | 137.4 | -100.2 | -29.2 | 0 | 0 | 0 | 109.7 | | |
| 398 | S | 37.2 | Very low | 38.6 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -150.6 | 131.6 | -173 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 399 | S | 45.3 | Very low | 38.7 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 174.1 | 164.6 | 164.4 | 40.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 400 | D | 38.7 | Very low | 38.7 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | cis | -168.9 | 149.7 | -49 | -111.3 | -51.6 | 0 | 0 | 0 | 107.8 | | |
| 401 | I | 37.1 | Very low | 38.5 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | 42.7 | 101.5 | 153.2 | -51.5 | 167.7 | 0 | 0 | 0 | 118.8 | | |
| 402 | S | 37 | Very low | 38.1 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -169.6 | 117.5 | 139.7 | 22.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 403 | L | 36.6 | Very low | 38.3 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | | 71.5 | 109.3 | 75.2 | -77.9 | 176.6 | 0 | 0 | 0 | 116 | | |
| 404 | N | 34.2 | Very low | 38.1 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | 92 | 158.3 | 140.5 | -136.5 | 4.2 | 0 | 0 | 0 | 121.3 | | |
| 405 | S | 37 | Very low | 38 | Very low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | | | trans | 78.3 | 72.6 | 156.3 | -55.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 406 | S | 35.6 | Very low | 37.9 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | | 19.8 | 131.2 | 124.6 | 61.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 407 | V | 41.6 | Very low | 37.9 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | -140.1 | 149 | 147.9 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 408 | N | 36.9 | Very low | 37.7 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | -100.1 | 147.1 | -171.8 | -67.1 | -85.6 | 0 | 0 | 0 | 114.5 | | |
| 409 | Y | 37.5 | Very low | 38 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -164.8 | 134.8 | 143.5 | -98.7 | -85.5 | 0 | 0 | 0 | 108.4 | | |
| 410 | S | 38.1 | Very low | 37.7 | Very low | 96 Ų | 96 | 151 Ų | 151 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | | | cis | -161.2 | 142.7 | -13.9 | -130.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 411 | R | 35.2 | Very low | 38 | Very low | 220 Ų | 220 | 154.1 Ų | 154.1 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | 45.2 | 113.4 | 148.5 | -175.4 | 168.4 | -81.1 | -172.2 | -5.6 | 120.8 | | |
| 412 | T | 31.3 | Very low | 38.2 | Very low | 136 Ų | 136 | 154.2 Ų | 154.2 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | -77 | 162 | 155.7 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 413 | K | 43.9 | Very low | 38.4 | Very low | 199 Ų | 199 | 156.4 Ų | 156.4 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | | | trans | -142.1 | 157.7 | 155.4 | -98.3 | -165.9 | 174 | -172.5 | 0 | 110.2 | | |
| 414 | S | 35.2 | Very low | 38.7 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | -86.3 | 156.9 | -168.7 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 415 | N | 39.5 | Very low | 38.8 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | | -169.4 | 149 | 104.7 | -90.2 | -4.1 | 0 | 0 | 0 | 112.9 | | |
| 416 | T | 37.2 | Very low | 39 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -88.9 | 144.8 | -176.2 | -48.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 417 | Y | 38.3 | Very low | 39.1 | Very low | 239 Ų | 239 | 155.5 Ų | 155.5 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | -154.7 | 141.5 | 141 | -112.1 | -73.5 | 0 | 0 | 0 | 111.9 | | |
| 418 | H | 38.8 | Very low | 38.8 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -93.2 | 146.9 | -176.2 | -102 | -75.9 | 0 | 0 | 0 | 113 | | |
| 419 | N | 42.9 | Very low | 38.8 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | -149.9 | 171.3 | 134.9 | -135.3 | -57.2 | 0 | 0 | 0 | 112.4 | | |
| 420 | K | 39.5 | Very low | 38.8 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | | | trans | -148.9 | 118.4 | -143.6 | 177.6 | -176.1 | 178 | -179.2 | 0 | 115.6 | | |
| 421 | K | 44.3 | Very low | 38.8 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | 178.9 | 124.3 | 154.6 | -102.4 | 165.2 | -178.6 | -177.2 | 0 | 107.3 | | |
| 422 | Q | 40.8 | Very low | 38.9 | Very low | 148 Ų | 148 | 150 Ų | 150 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | | 57.8 | 122 | 61.3 | -62.9 | -173 | -25.4 | 0 | 0 | 111.9 | | |
| 423 | H | 43 | Very low | 39.5 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | cis | -146.6 | 165.5 | 38.4 | -81.5 | -98 | 0 | 0 | 0 | 115.9 | | |
| 424 | N | 41.7 | Very low | 39.3 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | 4.2 | 154.2 | 140.9 | -62.1 | 24.1 | 0 | 0 | 0 | 120 | | |
| 425 | C | 36.5 | Very low | 39.5 | Very low | 104 Ų | 104 | 151 Ų | 151 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | cis | -162.1 | 165.3 | 17.7 | -138 | 0 | 0 | 0 | 0 | 115.3 | | |
| 426 | S | 41 | Very low | 39.6 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | 68.9 | 100.8 | 144.8 | -57.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 427 | N | 38 | Very low | 39.7 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | | 36.7 | 125.2 | 124.1 | -58 | 5.5 | 0 | 0 | 0 | 122.1 | | |
| 428 | C | 34.6 | Very low | 39.8 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 90% | 0.899 | 78% | 0.781 | S | S | * | * | | | | -160.4 | 124.5 | 128.6 | -109.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 429 | T | 36.7 | Very low | 39.9 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -145.2 | 102.1 | -174.3 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 430 | C | 37.9 | Very low | 39.7 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -176.2 | 148.5 | 164.8 | 49.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 431 | H | 39.5 | Very low | 39.3 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | cis | -152.9 | 141.8 | -14.4 | -149.3 | -78.8 | 0 | 0 | 0 | 107.7 | | |
| 432 | D | 37.3 | Very low | 38.8 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -73.3 | 146 | 170.2 | -80.6 | -64.4 | 0 | 0 | 0 | 111.5 | | |
| 433 | N | 44 | Very low | 38.7 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -159.6 | 150.3 | 148.1 | -107.1 | -35.6 | 0 | 0 | 0 | 112.9 | | |
| 434 | K | 39.5 | Very low | 38.2 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | -84.9 | 178.2 | 177.7 | -61.2 | 174.2 | 167.2 | 179.5 | 0 | 111.2 | | |
| 435 | T | 39.3 | Very low | 38 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 63% | 0.632 | 79% | 0.787 | S | S | * | * | | | cis | -161.5 | 160.9 | 13.3 | -15.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 436 | D | 41.4 | Very low | 37.9 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | 68.5 | 164.5 | 141.7 | -65.5 | -21.7 | 0 | 0 | 0 | 125.7 | | |
| 437 | E | 39.4 | Very low | 37.5 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | 71.1 | 80 | 162.1 | -68.6 | -71.6 | 83.5 | 0 | 0 | 121.6 | | |
| 438 | I | 39.3 | Very low | 37.4 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | trans | 3.9 | 124.2 | 131.3 | -57.1 | 161.9 | 0 | 0 | 0 | 117.7 | | |
| 439 | S | 40.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -152.2 | 158.9 | 136.7 | 63.2 | 0 | 0 | 0 | 0 | 112 | | |
| 440 | K | 38.5 | Very low | 37.3 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | -116.2 | 144 | 175.8 | -62.4 | 174 | -178.4 | 171.1 | 0 | 109.2 | | |
| 441 | C | 31.7 | Very low | 37.1 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | | 172.8 | 166 | 111.9 | -93.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 442 | S | 34.3 | Very low | 37.1 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | 12.7 | 125.1 | 168.1 | -57.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 443 | M | 37.9 | Very low | 36.9 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -119 | 100.3 | 153.2 | -90.7 | -72.3 | 162.2 | 0 | 0 | 109.6 | Y445 | M443-Y445 HydrophobicContact CB-CD2 4.23Å; M443-Y445 HydrophobicContact CB-CE2 4.4Å; M443-Y445 HydrophobicContact CG-CE2 4.4Å; M443-Y445 PolarHBondContact O-N 3.04Å; M443-Y445 HydrophobicContact SD-CD2 4.3Å; M443-Y445 HydrophobicContact SD-CE2 3.67Å |
| 444 | D | 33.8 | Very low | 36.6 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -83.5 | 90.1 | 173.3 | -79 | -64.8 | 0 | 0 | 0 | 110.6 | N446 | D444-N446 PolarHBondContact O-N 3.43Š|
| 445 | Y | 37.2 | Very low | 36.4 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | -88.8 | 89.9 | 174.8 | -92.4 | -72.7 | 0 | 0 | 0 | 112.8 | M443 | M443-Y445 HydrophobicContact CB-CD2 4.23Å; M443-Y445 HydrophobicContact CB-CE2 4.4Å; M443-Y445 HydrophobicContact CG-CE2 4.4Å; M443-Y445 PolarHBondContact O-N 3.04Å; M443-Y445 HydrophobicContact SD-CD2 4.3Å; M443-Y445 HydrophobicContact SD-CE2 3.67Å |
| 446 | N | 33.8 | Very low | 36.3 | Very low | 155 Ų | 155 | 154 Ų | 154 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -66.9 | 122.9 | 154 | -173.6 | 10.1 | 0 | 0 | 0 | 108.7 | D444 | D444-N446 PolarHBondContact O-N 3.43Š|
| 447 | C | 32.1 | Very low | 36.1 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | trans | -139.1 | 114.2 | 179.6 | -165.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 448 | S | 36.1 | Very low | 35.8 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | -69.5 | 145.4 | 179.3 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | H450 | S448-H450 PolarHBondContact O-N 3.11Š|
| 449 | T | 34.4 | Very low | 35.7 | Very low | 140 Ų | 140 | 155.8 Ų | 155.8 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -9.1 | 103.7 | 150.8 | -50.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 450 | H | 36.2 | Very low | 35.5 | Very low | 184 Ų | 184 | 161.8 Ų | 161.8 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -120.3 | 125.7 | 164.4 | -125.5 | -97.7 | 0 | 0 | 0 | 112.1 | S448 | S448-H450 PolarHBondContact O-N 3.11Š|
| 451 | R | 33.2 | Very low | 35.3 | Very low | 226 Ų | 226 | 156.8 Ų | 156.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -110.8 | 98 | -173.4 | 179.7 | -168.5 | -176.6 | -154.3 | 3.6 | 109.3 | | |
| 452 | S | 38.3 | Very low | 35.6 | Very low | 90 Ų | 90 | 158.6 Ų | 158.6 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | trans | -141.2 | 117.6 | 164.6 | -161.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 453 | Y | 34.6 | Very low | 35.7 | Very low | 196 Ų | 196 | 160.3 Ų | 160.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | | 53.5 | 77.8 | 75.9 | -98.1 | -73.4 | 0 | 0 | 0 | 113.8 | | |
| 454 | Y | 36.2 | Very low | 35.6 | Very low | 232 Ų | 232 | 162 Ų | 162 | 91% | 0.91 | 79% | 0.786 | S | S | * | * | | | trans | -130.7 | 140.5 | 146.9 | -96 | -77.6 | 0 | 0 | 0 | 110.2 | | |
| 455 | H | 35.6 | Very low | 35.9 | Very low | 159 Ų | 159 | 164.5 Ų | 164.5 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -130.8 | 103 | -163.4 | 172.1 | -75.7 | 0 | 0 | 0 | 108.9 | | |
| 456 | H | 38 | Very low | 36.1 | Very low | 158 Ų | 158 | 164.5 Ų | 164.5 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | | | trans | -142.6 | 104.6 | 176.9 | -121 | -92.2 | 0 | 0 | 0 | 115 | | |
| 457 | Q | 37.1 | Very low | 37 | Very low | 137 Ų | 137 | 162.8 Ų | 162.8 | 64% | 0.64 | 78% | 0.781 | S | S | * | * | | | trans | 48.3 | 104.2 | 142.6 | -59.5 | -176.7 | 6.6 | 0 | 0 | 119.5 | R459 | Q457-R459 PolarHBondContact O-N 3.3Š|
| 458 | S | 32.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 166.6 Ų | 166.6 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 118.1 | 151.4 | -51.9 | 0 | 0 | 0 | 0 | 111 | | |
| 459 | R | 37.8 | Very low | 37.6 | Very low | 233 Ų | 233 | 169.5 Ų | 169.5 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 146.6 | 157.5 | -80.8 | -162.9 | 173 | -144.7 | -0.2 | 110.7 | Q457 | Q457-R459 PolarHBondContact O-N 3.3Š|
| 460 | R | 36.4 | Very low | 37.7 | Very low | 244 Ų | 244 | 168.8 Ų | 168.8 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 162.9 | -173.7 | -69.9 | 177.4 | 169.6 | 127.2 | -5.8 | 112.2 | | |
| 461 | A | 35.1 | Very low | 37.8 | Very low | 83 Ų | 83 | 169.3 Ų | 169.3 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | | | trans | -12.2 | 161.2 | 162 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 462 | N | 37.8 | Very low | 37.8 | Very low | 159 Ų | 159 | 165.8 Ų | 165.8 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | 75.8 | 146.6 | 178.3 | -48.3 | -17.4 | 0 | 0 | 0 | 112.7 | | |
| 463 | E | 36.6 | Very low | 37.7 | Very low | 132 Ų | 132 | 165 Ų | 165 | 62% | 0.617 | 81% | 0.806 | S | S | * | * | | | cis | -144.4 | 132.4 | 11.8 | -165.1 | 178.1 | 149.1 | 0 | 0 | 110.1 | R465 | E463-R465 HydrophobicContact CG-CG 4.38Å; E463-R465 IonicContact OE1-CZ 2.77Å; E463-R465 IonicContact OE1-NE 3.12Å; E463-R465 PolarHBondContact OE1-NE 2.98Å; E463-R465 IonicContact OE1-NH2 2.71Å; E463-R465 PolarHBondContact OE1-NH2 3.17Å; E463-R465 IonicContact OE2-NH2 2.92Å |
| 464 | F | 35.4 | Very low | 37.8 | Very low | 192 Ų | 192 | 164.6 Ų | 164.6 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | | | trans | -105.5 | 81.9 | -176.8 | -137.1 | -74.6 | 0 | 0 | 0 | 110.5 | | |
| 465 | R | 40.8 | Very low | 37.5 | Very low | 204 Ų | 204 | 159.2 Ų | 159.2 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 122.2 | 176.6 | -69.9 | -164.9 | -176 | -168.2 | 2.6 | 111.9 | E463 | E463-R465 HydrophobicContact CG-CG 4.38Å; E463-R465 IonicContact OE1-CZ 2.77Å; E463-R465 IonicContact OE1-NE 3.12Å; E463-R465 PolarHBondContact OE1-NE 2.98Å; E463-R465 IonicContact OE1-NH2 2.71Å; E463-R465 PolarHBondContact OE1-NH2 3.17Å; E463-R465 IonicContact OE2-NH2 2.92Å |
| 466 | Y | 40.4 | Very low | 37.5 | Very low | 194 Ų | 194 | 159.2 Ų | 159.2 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 151.3 | 154.1 | -88.2 | -97.9 | 0 | 0 | 0 | 109.6 | | |
| 467 | P | 53.7 | Low | 37.3 | Very low | 119 Ų | 119 | 157.4 Ų | 157.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 132.7 | 168.2 | -16.2 | 30.7 | 0 | 0 | 0 | 110.8 | | |
| 468 | Q | 37.7 | Very low | 37.3 | Very low | 193 Ų | 193 | 157.9 Ų | 157.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 149.6 | 166.9 | -73.9 | -177.6 | -92.6 | 0 | 0 | 110.8 | | |
| 469 | L | 41.4 | Very low | 37.3 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 149.7 | 165.2 | -80.7 | 72.8 | 0 | 0 | 0 | 109.7 | | |
| 470 | P | 36.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 147.3 | 179.6 | 30.7 | -35.5 | 0 | 0 | 0 | 112 | | |
| 471 | Q | 39.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | | | trans | -125.1 | 140.3 | 161.4 | -72.8 | -172.2 | -9.6 | 0 | 0 | 109.2 | | |
| 472 | T | 32.1 | Very low | 37.3 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | | | trans | -79.9 | 139.3 | 176.6 | 36 | 0 | 0 | 0 | 0 | 110.9 | | |
| 473 | G | 36.1 | Very low | 37.4 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -132.5 | 148.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 474 | Q | 36.7 | Very low | 37.5 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -97.1 | 145.2 | -163.6 | -67.7 | 176.1 | -55.7 | 0 | 0 | 114.2 | | |
| 475 | V | 30.2 | Very low | 37.6 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | | | trans | 31.8 | 120.6 | 135.3 | -174.1 | 0 | 0 | 0 | 0 | 117.8 | I477 | V475-I477 HydrophobicContact CG1-CD1 4.36Å; V475-I477 HydrophobicContact CG1-CG1 3.98Å |
| 476 | N | 35.1 | Very low | 37.5 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | | -138.3 | 159.6 | 128.1 | -150.5 | -5.8 | 0 | 0 | 0 | 110.7 | | |
| 477 | I | 34.4 | Very low | 37.4 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 61% | 0.61 | 79% | 0.794 | S | S | * | * | | | trans | -110.9 | 148.1 | -163.7 | -60 | 161.9 | 0 | 0 | 0 | 109.8 | V475 | V475-I477 HydrophobicContact CG1-CD1 4.36Å; V475-I477 HydrophobicContact CG1-CG1 3.98Å |
| 478 | N | 36.9 | Very low | 36.7 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | 178.3 | 116.7 | 133.4 | -87.3 | -16 | 0 | 0 | 0 | 112.7 | | |
| 479 | S | 33.3 | Very low | 36.8 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | 27.1 | 124.3 | 137.8 | -29.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 480 | N | 35.5 | Very low | 36.8 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | | -159.4 | 145.4 | 64.7 | -92.2 | -0.8 | 0 | 0 | 0 | 114.9 | | |
| 481 | E | 37.7 | Very low | 36.9 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | 45 | 127.5 | 136.9 | -53 | -173.9 | 147.7 | 0 | 0 | 122.4 | | |
| 482 | G | 35 | Very low | 36.9 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | 157.8 | 85.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 483 | E | 39.3 | Very low | 37.3 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -0.9 | 155.1 | 158 | -55.1 | -165.3 | 118.7 | 0 | 0 | 121.9 | | |
| 484 | K | 40.2 | Very low | 37.8 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | cis | -169.5 | 159.6 | -9.2 | -109.8 | 171.1 | 179.5 | 158.9 | 0 | 109 | | |
| 485 | G | 36.9 | Very low | 38 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | | | trans | 91.9 | 113.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 486 | A | 38.5 | Very low | 38.4 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | | | | 74.3 | 131.2 | 64.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 487 | S | 38.4 | Very low | 38.5 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | cis | -169.2 | -169.2 | -7 | 52.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 488 | I | 38.3 | Very low | 38.8 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 60% | 0.6 | 75% | 0.749 | S | S | * | * | | | cis | -166.2 | 158.4 | 11.1 | -151.7 | 164.4 | 0 | 0 | 0 | 111 | | |
| 489 | F | 40 | Very low | 38.8 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | 59.8 | 163.7 | 159.4 | -62.8 | -32.9 | 0 | 0 | 0 | 119.6 | | |
| 490 | T | 42 | Very low | 39.1 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | | | cis | -169.9 | 168.6 | -14.1 | 28.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 491 | N | 39.3 | Very low | 39.3 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | | | cis | -177.6 | 148.4 | -29.3 | 178.4 | 26.8 | 0 | 0 | 0 | 109.1 | | |
| 492 | G | 38.9 | Very low | 39.2 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | | | trans | 87.8 | 165.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 493 | N | 41.6 | Very low | 39.3 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | | | cis | -166.1 | 148.4 | -17.8 | -167.1 | 11.8 | 0 | 0 | 0 | 112.5 | | |
| 494 | S | 45.5 | Very low | 39.3 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | 54.1 | 156.5 | 156.1 | -67.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 495 | G | 40.3 | Very low | 39.1 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | | | cis | 168 | -175.9 | 2.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 496 | N | 39.8 | Very low | 38.9 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | | | cis | -164.8 | -174.4 | -18.3 | -168.8 | 13.6 | 0 | 0 | 0 | 108 | | |
| 497 | F | 36.3 | Very low | 38.6 | Very low | 173 Ų | 173 | 125 Ų | 125 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | | | trans | 74.4 | 120.2 | 177.4 | -63.8 | -87.9 | 0 | 0 | 0 | 115.8 | | |
| 498 | Q | 40.8 | Very low | 38.4 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | | | cis | 96.5 | 146.8 | 15.2 | -57.7 | -168.1 | -63.9 | 0 | 0 | 118.1 | | |
| 499 | H | 37.5 | Very low | 38.3 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | | | trans | 76.3 | 149.6 | 161.9 | -69.4 | -71.7 | 0 | 0 | 0 | 120.2 | | |
| 500 | S | 38.7 | Very low | 38.3 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 53% | 0.531 | 72% | 0.716 | S | S | . | * | | | | -178.1 | 150.6 | -54.2 | 48 | 0 | 0 | 0 | 0 | 112.8 | | |
| 501 | N | 39.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | | | trans | 75.1 | 142.4 | 152.9 | -58 | -17.2 | 0 | 0 | 0 | 121.3 | | |
| 502 | N | 36.7 | Very low | 38 | Very low | 151 Ų | 151 | 123 Ų | 123 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | | | trans | 67.3 | 158.6 | 146.9 | -77.4 | -5.7 | 0 | 0 | 0 | 119.9 | | |
| 503 | T | 37 | Very low | 38.2 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 56% | 0.564 | 72% | 0.719 | S | S | * | * | | | cis | -174.7 | 147.5 | -29.7 | -99.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 504 | Q | 39.2 | Very low | 38 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | | | trans | 62.7 | 171.7 | 173.3 | -78.7 | 172.3 | 86.1 | 0 | 0 | 114.7 | | |
| 505 | Q | 35.2 | Very low | 37.6 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | | | cis | -164.1 | 147.6 | -34.7 | 178 | 177.5 | 85.4 | 0 | 0 | 108.6 | | |
| 506 | T | 33.3 | Very low | 37.2 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | | | trans | 49.8 | 114.4 | 162.8 | 50.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 507 | S | 31.5 | Very low | 37.1 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | | | | 78.8 | -180 | 127.5 | 71.1 | 0 | 0 | 0 | 0 | 122 | | |
| 508 | Y | 34.2 | Very low | 37.2 | Very low | 193 Ų | 193 | 128.6 Ų | 128.6 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | | | trans | 88.6 | 107.6 | 173.2 | -39.9 | -61.1 | 0 | 0 | 0 | 119.3 | | |
| 509 | V | 36.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | 18.7 | 143.7 | 137 | -110 | 0 | 0 | 0 | 0 | 119.5 | | |
| 510 | T | 40 | Very low | 36.9 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | | | cis | -168.6 | 157.4 | 42.6 | -29.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 511 | S | 38.1 | Very low | 36.9 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | 74.3 | 136.2 | 148 | -149.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 512 | G | 37.7 | Very low | 36.7 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | trans | 164.1 | 46.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 513 | Q | 42 | Very low | 36.7 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | | | trans | -20.4 | 145.7 | 170.3 | -65 | 177.4 | -10 | 0 | 0 | 117.9 | | |
| 514 | N | 37.1 | Very low | 36.8 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | cis | -163 | 158.6 | 4 | -106.2 | -11 | 0 | 0 | 0 | 112.7 | | |
| 515 | N | 37.8 | Very low | 36.7 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | 59.2 | 97.4 | 151.4 | -59.2 | 3.5 | 0 | 0 | 0 | 120.9 | | |
| 516 | S | 31.6 | Very low | 37 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | -86.1 | 156 | 141.7 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 517 | I | 37.5 | Very low | 37.1 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 80% | 0.795 | 75% | 0.745 | S | S | * | * | | | trans | 173.5 | 111.9 | 150.6 | -96.5 | 155.8 | 0 | 0 | 0 | 107.1 | | |
| 518 | V | 39.2 | Very low | 37.4 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | | 58 | 128.4 | 93.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 519 | N | 32.8 | Very low | 37.6 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | cis | 169.9 | -167.4 | -3 | 177.1 | 23.6 | 0 | 0 | 0 | 104 | | |
| 520 | I | 39.4 | Very low | 37.5 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | 73.5 | 108 | 155.9 | -30.9 | -176.2 | 0 | 0 | 0 | 118.3 | | |
| 521 | N | 37.5 | Very low | 37.4 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | 60.7 | 167.6 | 143.5 | -65.3 | 41.9 | 0 | 0 | 0 | 120.5 | | |
| 522 | E | 36.4 | Very low | 37.3 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | cis | -172.9 | 156.6 | -31.3 | -179.6 | -177.1 | 163.9 | 0 | 0 | 109.2 | | |
| 523 | S | 36.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | 74.4 | 167.7 | 161.3 | 81 | 0 | 0 | 0 | 0 | 121.1 | | |
| 524 | A | 39.8 | Very low | 36.9 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | 73.1 | 87.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 525 | S | 35.6 | Very low | 37 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -71.4 | 162.8 | 142 | -37.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 526 | P | 41.3 | Very low | 37 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | | -156.9 | 158.1 | 68.3 | 41.1 | -19.6 | 0 | 0 | 0 | 120 | | |
| 527 | I | 35.3 | Very low | 37.2 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | 33.9 | 114.6 | 134.2 | -49 | 167.5 | 0 | 0 | 0 | 120.8 | | |
| 528 | A | 39.3 | Very low | 37.1 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -158.6 | 118.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 529 | N | 36.8 | Very low | 36.9 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | | | | 84.8 | 100.8 | 55.6 | -74.5 | -1.4 | 0 | 0 | 0 | 115.4 | | |
| 530 | T | 34.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | trans | 47.3 | 125.2 | 140.8 | 56.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 531 | N | 38 | Very low | 36.9 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | | | | -167.7 | 170 | 94.1 | -104.5 | -48.9 | 0 | 0 | 0 | 115.4 | | |
| 532 | V | 36.3 | Very low | 37.2 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | | | trans | -97.7 | 144.9 | -175.3 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 533 | T | 39.2 | Very low | 37.3 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -141.7 | 125.8 | 157.1 | -60.3 | 0 | 0 | 0 | 0 | 110 | | |
| 534 | T | 31.7 | Very low | 37.6 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -114.9 | 127.8 | 178.7 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 535 | T | 40.6 | Very low | 37.6 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | -140.7 | 88.3 | 178.8 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 536 | S | 36.8 | Very low | 37.9 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | | | trans | 30.4 | 115.4 | 144.9 | 57.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 537 | L | 35.9 | Very low | 37.9 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | | 53.5 | 119.5 | 129.5 | -69.5 | 122.1 | 0 | 0 | 0 | 121 | | |
| 538 | T | 36.2 | Very low | 38.2 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | | | | -149.6 | 135.4 | 125.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 539 | T | 34.7 | Very low | 38.3 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -102.3 | 126.6 | -172.6 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 540 | T | 37 | Very low | 38.7 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -131.7 | 113.7 | 159.8 | 33.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 541 | T | 35.5 | Very low | 39.4 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -84.2 | 115.2 | -178.3 | 35 | 0 | 0 | 0 | 0 | 111.1 | | |
| 542 | T | 42.5 | Very low | 40.2 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -129.3 | 150.4 | 170.9 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 543 | I | 40.3 | Very low | 41.5 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -98.9 | 127.5 | -155.2 | -53.9 | 167.5 | 0 | 0 | 0 | 111.5 | T545 | I543-T545 HydrophobicContact CG2-CG2 3.84Å; I543-T545 PolarHBondContact O-N 3.26Å |
| 544 | P | 41.4 | Very low | 42.5 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -81.2 | 72.3 | -179.6 | 32.5 | -35.8 | 0 | 0 | 0 | 113.6 | R546 | P544-R546 PolarHBondContact O-N 3.43Š|
| 545 | T | 40.5 | Very low | 44.2 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | -94.7 | 62.5 | -178.4 | 37.8 | 0 | 0 | 0 | 0 | 115.3 | I543 | I543-T545 HydrophobicContact CG2-CG2 3.84Å; I543-T545 PolarHBondContact O-N 3.26Å |
| 546 | R | 41.9 | Very low | 45 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 75% | 0.751 | 78% | 0.779 | S | S | * | * | | | trans | -161.4 | 108.3 | 152.7 | -119.7 | 168.1 | 179.7 | -159 | -1.8 | 114.6 | P544 Y548 | P544-R546 PolarHBondContact O-N 3.43Å; R546-Y548 HydrophobicContact CB-CD2 4.34Å; R546-Y548 HydrophobicContact CG-CD2 4.32Å; R546-Y548 PolarHBondContact O-N 3.01Å |
| 547 | R | 41 | Very low | 46 | Very low | 259 Ų | 259 | 149.7 Ų | 149.7 | 98% | 0.977 | 78% | 0.778 | S | S | * | * | | | trans | -76.1 | 69.6 | 169.5 | -155.1 | 178.7 | -157.8 | 178.5 | 7.7 | 110.4 | N549 | R547-N549 PolarHBondContact O-N 3.45Š|
| 548 | Y | 41.4 | Very low | 47 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | | | trans | -62.6 | 129.9 | 178.7 | -120.5 | -81.2 | 0 | 0 | 0 | 110.2 | R546 R550 | R546-Y548 HydrophobicContact CB-CD2 4.34Å; R546-Y548 HydrophobicContact CG-CD2 4.32Å; R546-Y548 PolarHBondContact O-N 3.01Å; Y548-R550 VanDerWaalsContact C-N 3.25Å; Y548-R550 PolarHBondContact O-N 3.47Å |
| 549 | N | 42.6 | Very low | 48 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | -79.2 | 74.1 | -175.3 | -162.9 | -18.3 | 0 | 0 | 0 | 110.6 | R547 R551 | R547-N549 PolarHBondContact O-N 3.45Å; N549-R551 VanDerWaalsContact C-N 3.3Å; N549-R551 PolarHBondContact O-N 3.2Å |
| 550 | R | 45.5 | Very low | 49.1 | Very low | 225 Ų | 225 | 149.4 Ų | 149.4 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | | | trans | -65.1 | 88.8 | 171.1 | -81.3 | -173.3 | 173.1 | 176.4 | -1.7 | 109.3 | Y548 V552 | Y548-R550 VanDerWaalsContact C-N 3.25Å; Y548-R550 PolarHBondContact O-N 3.47Å; R550-V552 VanDerWaalsContact C-N 3.35Å; R550-V552 PolarHBondContact O-N 2.97Å; R550-V552 VanDerWaalsContact O-N 3.08Å |
| 551 | R | 48.5 | Very low | 50.2 | Low | 225 Ų | 225 | 151.6 Ų | 151.6 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | | | trans | -58.8 | 107.7 | 143.2 | -82.1 | -172.2 | 173.3 | -171.4 | -2.5 | 106.2 | N549 V553 | N549-R551 VanDerWaalsContact C-N 3.3Å; N549-R551 PolarHBondContact O-N 3.2Å; R551-V553 VanDerWaalsContact C-N 3.27Å; R551-V553 PolarHBondContact O-N 3.05Å |
| 552 | V | 55.3 | Low | 51.9 | Low | 111 Ų | 111 | 147.9 Ų | 147.9 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | | | trans | -67.5 | 94.5 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 106.6 | R550 L554 | R550-V552 VanDerWaalsContact C-N 3.35Å; R550-V552 PolarHBondContact O-N 2.97Å; R550-V552 VanDerWaalsContact O-N 3.08Å; V552-L554 VanDerWaalsContact C-N 3.29Å; V552-L554 HydrophobicContact CG1-CD2 3.93Å; V552-L554 HydrophobicContact CG1-CG 4.27Å; V552-L554 PolarHBondContact O-N 3.37Å; V552-L554 VanDerWaalsContact O-N 3.08Å |
| 553 | V | 63.2 | Low | 53.6 | Low | 129 Ų | 129 | 146.4 Ų | 146.4 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | | | trans | -71.7 | 96.4 | 163.3 | -179.8 | 0 | 0 | 0 | 0 | 105 | R551 | R551-V553 VanDerWaalsContact C-N 3.27Å; R551-V553 PolarHBondContact O-N 3.05Å |
| 554 | L | 61.1 | Low | 55.4 | Low | 128 Ų | 128 | 144.8 Ų | 144.8 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | | | trans | -57.1 | 137.7 | 170.1 | -69.4 | 171.4 | 0 | 0 | 0 | 108.2 | V552 | V552-L554 VanDerWaalsContact C-N 3.29Å; V552-L554 HydrophobicContact CG1-CD2 3.93Å; V552-L554 HydrophobicContact CG1-CG 4.27Å; V552-L554 PolarHBondContact O-N 3.37Å; V552-L554 VanDerWaalsContact O-N 3.08Å |
| 555 | P | 65.5 | Low | 57.2 | Low | 103 Ų | 103 | 139.8 Ų | 139.8 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | | | trans | -53.2 | 147 | 172.1 | -25.3 | 34.6 | 0 | 0 | 0 | 110.7 | V557 | P555-V557 PolarHBondContact O-N 3.42Š|
| 556 | P | 58 | Low | 59.1 | Low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | | | trans | -58 | 111 | 172.3 | -22.5 | 33.5 | 0 | 0 | 0 | 109.8 | R558 | P556-R558 PolarHBondContact O-N 2.87Š|
| 557 | V | 58.1 | Low | 61.1 | Low | 96 Ų | 96 | 131 Ų | 131 | 58% | 0.582 | 65% | 0.647 | S | S | * | * | | | trans | -64.6 | 109.1 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 107.1 | P555 | P555-V557 PolarHBondContact O-N 3.42Š|
| 558 | R | 56 | Low | 63.1 | Low | 208 Ų | 208 | 118.8 Ų | 118.8 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | | | trans | -69.1 | 136.4 | 168.3 | -69.3 | -177.8 | 172.3 | -179.2 | -3.9 | 107.5 | P556 T560 | P556-R558 PolarHBondContact O-N 2.87Å; R558-T560 HydrophobicContact CB-CG2 4.21Å; R558-T560 PolarHBondContact O-N 3.13Å |
| 559 | M | 58.1 | Low | 64.9 | Low | 112 Ų | 112 | 112.5 Ų | 112.5 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | | | trans | -74.1 | 63.8 | 171 | -66.4 | -66.2 | -65.3 | 0 | 0 | 109.8 | V565 L569 | M559-V565 HydrophobicContact CE-CG1 3.63Å; M559-V565 HydrophobicContact SD-CG1 4.06Å; M559-L569 HydrophobicContact CE-CD1 4.35Å |
| 560 | T | 57.7 | Low | 66.9 | Low | 100 Ų | 100 | 113.9 Ų | 113.9 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | | | trans | -81.8 | 129.7 | 165.3 | 48.4 | 0 | 0 | 0 | 0 | 108 | R558 N562 | R558-T560 HydrophobicContact CB-CG2 4.21Å; R558-T560 PolarHBondContact O-N 3.13Å; T560-N562 PolarHBondContact O-N 3.47Å |
| 561 | H | 60 | Low | 68.7 | Low | 183 Ų | 183 | 105.3 Ų | 105.3 | 85% | 0.847 | 54% | 0.542 | S | S | * | . | | | trans | -43.5 | 112.7 | -178.3 | -50.6 | -69.3 | 0 | 0 | 0 | 111.5 | | |
| 562 | N | 71.3 | Confident | 70.2 | Confident | 66 Ų | 66 | 95.5 Ų | 95.5 | 35% | 0.353 | 51% | 0.506 | S | S | . | . | | | trans | -138.7 | 119.1 | -179.1 | 173.7 | -13.3 | 0 | 0 | 0 | 105.8 | T560 E564 V565 D566 | T560-N562 PolarHBondContact O-N 3.47Å; N562-E564 PolarHBondContact O-N 2.87Å; N562-E564 WeakPolarHBondContact OD1-CB 3.48Å; N562-E564 PolarHBondContact OD1-N 3.02Å; N562-V565 HydrophobicContact CB-CB 4.34Å; N562-V565 HydrophobicContact CB-CG2 4.04Å; N562-V565 WeakPolarHBondContact O-CA 3.49Å; N562-V565 WeakPolarHBondContact O-CB 3.48Å; N562-V565 PolarHBondContact O-N 2.83Å; N562-D566 PolarHBondContact O-N 3.24Å |
| 563 | P | 79 | Confident | 71.3 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -24.5 | -174.2 | 24.3 | -34.7 | 0 | 0 | 0 | 113.2 | S567 | P563-S567 WeakPolarHBondContact O-CB 3.24Å; P563-S567 PolarHBondContact O-N 3.48Å; P563-S567 PolarHBondContact O-OG 2.85Å |
| 564 | E | 77.8 | Confident | 72.2 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 172.5 | -167.6 | -173.2 | -176.5 | 0 | 0 | 111.8 | N562 L568 | N562-E564 PolarHBondContact O-N 2.87Å; N562-E564 WeakPolarHBondContact OD1-CB 3.48Å; N562-E564 PolarHBondContact OD1-N 3.02Å; E564-L568 HydrophobicContact CG-CD1 4.41Å; E564-L568 VanDerWaalsContact O-CB 3.3Å; E564-L568 WeakPolarHBondContact O-CB 3.09Å; E564-L568 WeakPolarHBondContact O-CG 3.45Å; E564-L568 PolarHBondContact O-N 2.71Å |
| 565 | V | 79.6 | Confident | 72.8 | Confident | 22 Ų | 22 | 98.3 Ų | 98.3 | 13% | 0.133 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -72.2 | -39.1 | 179.1 | 179.8 | 0 | 0 | 0 | 0 | 111 | M559 N562 L568 L569 | M559-V565 HydrophobicContact CE-CG1 3.63Å; M559-V565 HydrophobicContact SD-CG1 4.06Å; N562-V565 HydrophobicContact CB-CB 4.34Å; N562-V565 HydrophobicContact CB-CG2 4.04Å; N562-V565 WeakPolarHBondContact O-CA 3.49Å; N562-V565 WeakPolarHBondContact O-CB 3.48Å; N562-V565 PolarHBondContact O-N 2.83Å; V565-L568 WeakPolarHBondContact O-CB 3.34Å; V565-L568 PolarHBondContact O-N 3.03Å; V565-L569 HydrophobicContact CG1-CD1 4.34Å; V565-L569 PolarHBondContact O-N 3.48Å |
| 566 | D | 79.8 | Confident | 73.1 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 34% | 0.342 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.2 | -31 | 177.7 | -61.5 | -42.9 | 0 | 0 | 0 | 111.9 | N562 R570 | N562-D566 PolarHBondContact O-N 3.24Å; D566-R570 PolarHBondContact O-N 3.08Å |
| 567 | S | 84.5 | Confident | 73.3 | Confident | 68 Ų | 68 | 96.8 Ų | 96.8 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -45.3 | 168.8 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | P563 L569 R570 E571 | P563-S567 WeakPolarHBondContact O-CB 3.24Å; P563-S567 PolarHBondContact O-N 3.48Å; P563-S567 PolarHBondContact O-OG 2.85Å; S567-L569 VanDerWaalsContact C-N 3.33Å; S567-L569 PolarHBondContact O-N 2.9Å; S567-R570 WeakPolarHBondContact O-CB 3.22Å; S567-R570 PolarHBondContact O-N 3.11Å; S567-E571 VanDerWaalsContact O-CB 3.28Å; S567-E571 WeakPolarHBondContact O-CB 3.34Å; S567-E571 PolarHBondContact O-N 3.09Å |
| 568 | L | 81.4 | Confident | 73.4 | Confident | 1 Ų | 1 | 100.2 Ų | 100.2 | 1% | 0.005 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 173.6 | -89.8 | 164.2 | 0 | 0 | 0 | 112.7 | E564 V565 E571 I572 E594 L595 | E564-L568 HydrophobicContact CG-CD1 4.41Å; E564-L568 VanDerWaalsContact O-CB 3.3Å; E564-L568 WeakPolarHBondContact O-CB 3.09Å; E564-L568 WeakPolarHBondContact O-CG 3.45Å; E564-L568 PolarHBondContact O-N 2.71Å; V565-L568 WeakPolarHBondContact O-CB 3.34Å; V565-L568 PolarHBondContact O-N 3.03Å; L568-E571 PolarHBondContact O-N 2.91Å; L568-I572 WeakPolarHBondContact O-CB 3.14Å; L568-I572 WeakPolarHBondContact O-CD1 3.32Å; L568-I572 WeakPolarHBondContact O-CG1 3.24Å; L568-I572 PolarHBondContact O-N 3.15Å; L568-E594 HydrophobicContact CD2-CB 4.24Å; L568-E594 HydrophobicContact CD2-CG 3.34Å; L568-L595 HydrophobicContact CD1-CD2 4.14Å |
| 569 | L | 80.7 | Confident | 73.5 | Confident | 42 Ų | 42 | 90.7 Ų | 90.7 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 175.5 | -111.5 | 74.9 | 0 | 0 | 0 | 111 | M559 V565 S567 E571 I572 M573 M587 V591 | M559-L569 HydrophobicContact CE-CD1 4.35Å; V565-L569 HydrophobicContact CG1-CD1 4.34Å; V565-L569 PolarHBondContact O-N 3.48Å; S567-L569 VanDerWaalsContact C-N 3.33Å; S567-L569 PolarHBondContact O-N 2.9Å; L569-E571 VanDerWaalsContact C-N 3.34Å; L569-E571 PolarHBondContact O-N 2.95Å; L569-I572 PolarHBondContact O-N 2.88Å; L569-M573 WeakPolarHBondContact O-CB 3.45Å; L569-M573 VanDerWaalsContact O-CG 3.25Å; L569-M573 WeakPolarHBondContact O-CG 3.41Å; L569-M573 PolarHBondContact O-N 2.75Å; L569-M587 HydrophobicContact CD2-SD 4.49Å; L569-V591 HydrophobicContact CD1-CG2 3.76Å |
| 570 | R | 83.3 | Confident | 73.6 | Confident | 179 Ų | 179 | 92 Ų | 92 | 68% | 0.675 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 179.3 | -161.6 | -177.6 | -51.6 | -129.2 | -0.1 | 111.6 | D566 S567 I572 M573 E574 | D566-R570 PolarHBondContact O-N 3.08Å; S567-R570 WeakPolarHBondContact O-CB 3.22Å; S567-R570 PolarHBondContact O-N 3.11Å; R570-I572 PolarHBondContact O-N 2.99Å; R570-M573 PolarHBondContact O-N 3.29Å; R570-E574 WeakPolarHBondContact O-CB 3.44Å; R570-E574 PolarHBondContact O-N 3.45Å |
| 571 | E | 84.1 | Confident | 74.1 | Confident | 45 Ų | 45 | 94.1 Ų | 94.1 | 21% | 0.21 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 177.8 | -171.6 | -171.8 | 144.6 | 0 | 0 | 112.8 | S567 L568 L569 R575 R598 | S567-E571 VanDerWaalsContact O-CB 3.28Å; S567-E571 WeakPolarHBondContact O-CB 3.34Å; S567-E571 PolarHBondContact O-N 3.09Å; L568-E571 PolarHBondContact O-N 2.91Å; L569-E571 VanDerWaalsContact C-N 3.34Å; L569-E571 PolarHBondContact O-N 2.95Å; E571-R575 WeakPolarHBondContact O-CG 3.5Å; E571-R575 PolarHBondContact O-N 3.46Å; E571-R575 IonicContact OE1-CZ 3.26Å; E571-R575 IonicContact OE1-NH1 3.5Å; E571-R575 PolarHBondContact OE1-NH1 3.01Å; E571-R575 IonicContact OE1-NH2 2.82Å; E571-R575 PolarHBondContact OE1-NH2 3.04Å; E571-R598 IonicContact OE1-NH2 3.76Å; E571-R598 PolarHBondContact OE1-NH2 3.32Å; E571-R598 IonicContact OE2-CZ 3.91Å; E571-R598 IonicContact OE2-NH2 2.96Å; E571-R598 PolarHBondContact OE2-NH2 2.85Å |
| 572 | I | 79.6 | Confident | 74.5 | Confident | 20 Ų | 20 | 88.7 Ų | 88.7 | 10% | 0.103 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 173.9 | -72.2 | 166.1 | 0 | 0 | 0 | 111.2 | L568 L569 R570 N576 F582 A590 V591 E594 | L568-I572 WeakPolarHBondContact O-CB 3.14Å; L568-I572 WeakPolarHBondContact O-CD1 3.32Å; L568-I572 WeakPolarHBondContact O-CG1 3.24Å; L568-I572 PolarHBondContact O-N 3.15Å; L569-I572 PolarHBondContact O-N 2.88Å; R570-I572 PolarHBondContact O-N 2.99Å; I572-N576 PolarHBondContact O-N 3.23Å; I572-N576 PolarHBondContact O-ND2 2.9Å; I572-F582 HydrophobicContact CG2-CE2 4.26Å; I572-A590 HydrophobicContact CD1-CB 4.44Å; I572-A590 HydrophobicContact CG2-CB 4.31Å; I572-V591 HydrophobicContact CD1-CG2 3.94Å; I572-E594 HydrophobicContact CD1-CB 4.37Å |
| 573 | M | 78.5 | Confident | 74.9 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 50% | 0.502 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 177.7 | -72.2 | 172.5 | 69.6 | 0 | 0 | 112.5 | L569 R570 N576 A579 | L569-M573 WeakPolarHBondContact O-CB 3.45Å; L569-M573 VanDerWaalsContact O-CG 3.25Å; L569-M573 WeakPolarHBondContact O-CG 3.41Å; L569-M573 PolarHBondContact O-N 2.75Å; R570-M573 PolarHBondContact O-N 3.29Å; M573-N576 VanDerWaalsContact O-O 3.12Å; M573-A579 HydrophobicContact CB-CB 4.29Å; M573-A579 HydrophobicContact CG-CB 4.23Å |
| 574 | E | 81 | Confident | 75 | Confident | 165 Ų | 165 | 89.5 Ų | 89.5 | 77% | 0.771 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72.5 | -39.1 | -179.6 | -173.8 | 168.5 | -150.6 | 0 | 0 | 112.5 | R570 N576 | R570-E574 WeakPolarHBondContact O-CB 3.44Å; R570-E574 PolarHBondContact O-N 3.45Å; E574-N576 VanDerWaalsContact C-N 3.33Å; E574-N576 PolarHBondContact O-N 2.78Å |
| 575 | R | 74.5 | Confident | 75.3 | Confident | 160 Ų | 160 | 93.2 Ų | 93.2 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.7 | -23.7 | 177.5 | -74.6 | -172.7 | -171.5 | 124.2 | 13.2 | 114.7 | E571 | E571-R575 WeakPolarHBondContact O-CG 3.5Å; E571-R575 PolarHBondContact O-N 3.46Å; E571-R575 IonicContact OE1-CZ 3.26Å; E571-R575 IonicContact OE1-NH1 3.5Å; E571-R575 PolarHBondContact OE1-NH1 3.01Å; E571-R575 IonicContact OE1-NH2 2.82Å; E571-R575 PolarHBondContact OE1-NH2 3.04Å |
| 576 | N | 71.2 | Confident | 75.5 | Confident | 77 Ų | 77 | 96.8 Ų | 96.8 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | | | trans | -116.9 | 101 | -176.3 | -64.5 | -84.8 | 0 | 0 | 0 | 109.2 | I572 M573 E574 Q578 A579 | I572-N576 PolarHBondContact O-N 3.23Å; I572-N576 PolarHBondContact O-ND2 2.9Å; M573-N576 VanDerWaalsContact O-O 3.12Å; E574-N576 VanDerWaalsContact C-N 3.33Å; E574-N576 PolarHBondContact O-N 2.78Å; N576-Q578 PolarHBondContact O-N 3.38Å; N576-A579 HydrophobicContact CB-CB 4.04Å; N576-A579 WeakPolarHBondContact O-CB 3.29Å; N576-A579 PolarHBondContact O-N 2.89Å |
| 577 | S | 63.7 | Low | 75.6 | Confident | 117 Ų | 117 | 97 Ų | 97 | 82% | 0.818 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -7.3 | 176.6 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 578 | Q | 60.1 | Low | 75.7 | Confident | 168 Ų | 168 | 97.8 Ų | 97.8 | 79% | 0.785 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -1.9 | 174.4 | -60.1 | -179.7 | 2.9 | 0 | 0 | 113.6 | N576 V580 N581 | N576-Q578 PolarHBondContact O-N 3.38Å; Q578-V580 PolarHBondContact O-N 3.49Å; Q578-N581 PolarHBondContact O-N 3.05Å |
| 579 | A | 57.5 | Low | 76 | Confident | 9 Ų | 9 | 102.5 Ų | 102.5 | 7% | 0.074 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -64.3 | -14.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | M573 N576 N581 F582 | M573-A579 HydrophobicContact CB-CB 4.29Å; M573-A579 HydrophobicContact CG-CB 4.23Å; N576-A579 HydrophobicContact CB-CB 4.04Å; N576-A579 WeakPolarHBondContact O-CB 3.29Å; N576-A579 PolarHBondContact O-N 2.89Å; A579-N581 PolarHBondContact O-N 2.95Å; A579-F582 HydrophobicContact CB-CD2 3.77Å; A579-F582 HydrophobicContact CB-CE2 3.57Å; A579-F582 WeakPolarHBondContact O-CD2 3.34Å; A579-F582 PolarHBondContact O-N 2.97Å |
| 580 | V | 60.1 | Low | 76.2 | Confident | 138 Ų | 138 | 101.5 Ų | 101.5 | 84% | 0.836 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -61.3 | -12.1 | 178.2 | -149.3 | 0 | 0 | 0 | 0 | 112.7 | Q578 | Q578-V580 PolarHBondContact O-N 3.49Š|
| 581 | N | 69.2 | Low | 76.4 | Confident | 146 Ų | 146 | 93.7 Ų | 93.7 | 78% | 0.781 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -126.1 | 23.3 | -173.9 | -158.3 | 22.2 | 0 | 0 | 0 | 114.1 | Q578 A579 | Q578-N581 PolarHBondContact O-N 3.05Å; A579-N581 PolarHBondContact O-N 2.95Å |
| 582 | F | 68.2 | Low | 76.6 | Confident | 68 Ų | 68 | 94.9 Ų | 94.9 | 30% | 0.298 | 48% | 0.479 | S | S | . | . | | | trans | -71.5 | 129.2 | 173.6 | -78.7 | -53.8 | 0 | 0 | 0 | 111.8 | I572 A579 E586 M587 | I572-F582 HydrophobicContact CG2-CE2 4.26Å; A579-F582 HydrophobicContact CB-CD2 3.77Å; A579-F582 HydrophobicContact CB-CE2 3.57Å; A579-F582 WeakPolarHBondContact O-CD2 3.34Å; A579-F582 PolarHBondContact O-N 2.97Å; F582-E586 HydrophobicContact CB-CB 4.34Å; F582-E586 HydrophobicContact CD1-CB 3.67Å; F582-E586 HydrophobicContact CE1-CB 4.4Å; F582-E586 HydrophobicContact CG-CB 4.38Å; F582-M587 HydrophobicContact CB-CG 3.58Å; F582-M587 HydrophobicContact CD2-CG 4.33Å; F582-M587 HydrophobicContact CG-CG 4.24Å |
| 583 | D | 78.3 | Confident | 77 | Confident | 97 Ų | 97 | 99.3 Ų | 99.3 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | | | trans | -64.2 | 154.1 | 162.2 | 177.1 | 34.7 | 0 | 0 | 0 | 110.3 | R585 E586 M587 | D583-R585 PolarHBondContact O-N 3.27Å; D583-R585 VanDerWaalsContact O-N 3.13Å; D583-R585 VanDerWaalsContact OD2-CB 3.22Å; D583-R585 WeakPolarHBondContact OD2-CB 3.31Å; D583-E586 HydrophobicContact CB-CG 4.38Å; D583-E586 PolarHBondContact N-OE2 3.37Å; D583-E586 WeakPolarHBondContact O-CA 3.46Å; D583-E586 WeakPolarHBondContact O-CB 3.47Å; D583-E586 PolarHBondContact O-N 2.91Å; D583-M587 PolarHBondContact O-N 3.05Å |
| 584 | S | 81.5 | Confident | 77.3 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.3 | -32.6 | 177.6 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | H588 | S584-H588 WeakPolarHBondContact O-CB 3.49Å; S584-H588 PolarHBondContact O-N 3Å; S584-H588 VanDerWaalsContact O-N 3.11Å |
| 585 | R | 84.1 | Confident | 77.5 | Confident | 183 Ų | 183 | 91 Ų | 91 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 170.2 | 174.3 | 177.8 | -76.5 | -95.9 | -2.4 | 113 | D583 M589 | D583-R585 PolarHBondContact O-N 3.27Å; D583-R585 VanDerWaalsContact O-N 3.13Å; D583-R585 VanDerWaalsContact OD2-CB 3.22Å; D583-R585 WeakPolarHBondContact OD2-CB 3.31Å; R585-M589 HydrophobicContact CG-SD 4.42Å; R585-M589 WeakPolarHBondContact O-CG 3.14Å; R585-M589 PolarHBondContact O-N 3.36Å |
| 586 | E | 85.2 | Confident | 78 | Confident | 97 Ų | 97 | 89.8 Ų | 89.8 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75.4 | -42.3 | -176 | -63.5 | -172.4 | 127.6 | 0 | 0 | 111.2 | F582 D583 H588 M589 A590 | F582-E586 HydrophobicContact CB-CB 4.34Å; F582-E586 HydrophobicContact CD1-CB 3.67Å; F582-E586 HydrophobicContact CE1-CB 4.4Å; F582-E586 HydrophobicContact CG-CB 4.38Å; D583-E586 HydrophobicContact CB-CG 4.38Å; D583-E586 PolarHBondContact N-OE2 3.37Å; D583-E586 WeakPolarHBondContact O-CA 3.46Å; D583-E586 WeakPolarHBondContact O-CB 3.47Å; D583-E586 PolarHBondContact O-N 2.91Å; E586-H588 VanDerWaalsContact C-N 3.29Å; E586-H588 PolarHBondContact O-N 3.46Å; E586-M589 CarbonylContact O-C 3.57Å; E586-M589 WeakPolarHBondContact O-CA 3.05Å; E586-M589 WeakPolarHBondContact O-CB 3.21Å; E586-M589 PolarHBondContact O-N 2.83Å; E586-M589 VanDerWaalsContact O-N 3.07Å; E586-A590 WeakPolarHBondContact O-CB 3.35Å; E586-A590 PolarHBondContact O-N 3.5Å |
| 587 | M | 81.5 | Confident | 78.6 | Confident | 68 Ų | 68 | 90.5 Ų | 90.5 | 34% | 0.335 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -54.6 | -46.6 | 169.1 | -71.2 | -157.6 | -73.1 | 0 | 0 | 111.2 | L569 F582 D583 M589 A590 V591 | L569-M587 HydrophobicContact CD2-SD 4.49Å; F582-M587 HydrophobicContact CB-CG 3.58Å; F582-M587 HydrophobicContact CD2-CG 4.33Å; F582-M587 HydrophobicContact CG-CG 4.24Å; D583-M587 PolarHBondContact O-N 3.05Å; M587-M589 VanDerWaalsContact C-N 3.31Å; M587-M589 PolarHBondContact O-N 2.79Å; M587-A590 PolarHBondContact O-N 3.12Å; M587-V591 WeakPolarHBondContact O-CG2 3.43Å; M587-V591 PolarHBondContact O-N 2.76Å |
| 588 | H | 86.2 | Confident | 79.5 | Confident | 85 Ų | 85 | 88.2 Ų | 88.2 | 39% | 0.394 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 177.5 | -167.4 | 74 | 0 | 0 | 0 | 112.6 | S584 E586 Q592 | S584-H588 WeakPolarHBondContact O-CB 3.49Å; S584-H588 PolarHBondContact O-N 3Å; S584-H588 VanDerWaalsContact O-N 3.11Å; E586-H588 VanDerWaalsContact C-N 3.29Å; E586-H588 PolarHBondContact O-N 3.46Å; H588-Q592 PolarHBondContact CD2-NE2 3.02Å; H588-Q592 VanDerWaalsContact CD2-NE2 3.32Å; H588-Q592 PolarHBondContact NE2-NE2 3.09Å; H588-Q592 WeakPolarHBondContact O-CB 3.26Å; H588-Q592 VanDerWaalsContact O-CG 3.29Å; H588-Q592 WeakPolarHBondContact O-CG 3.27Å; H588-Q592 PolarHBondContact O-N 3.35Å; H588-Q592 VanDerWaalsContact O-N 3.12Å |
| 589 | M | 86.8 | Confident | 80.3 | Confident | 100 Ų | 100 | 84.2 Ų | 84.2 | 49% | 0.493 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 172.7 | -79.8 | 179.7 | 48.2 | 0 | 0 | 112.9 | R585 E586 M587 Q593 | R585-M589 HydrophobicContact CG-SD 4.42Å; R585-M589 WeakPolarHBondContact O-CG 3.14Å; R585-M589 PolarHBondContact O-N 3.36Å; E586-M589 CarbonylContact O-C 3.57Å; E586-M589 WeakPolarHBondContact O-CA 3.05Å; E586-M589 WeakPolarHBondContact O-CB 3.21Å; E586-M589 PolarHBondContact O-N 2.83Å; E586-M589 VanDerWaalsContact O-N 3.07Å; M587-M589 VanDerWaalsContact C-N 3.31Å; M587-M589 PolarHBondContact O-N 2.79Å; M589-Q593 VanDerWaalsContact O-CG 3.31Å; M589-Q593 WeakPolarHBondContact O-CG 3.44Å; M589-Q593 PolarHBondContact O-N 2.96Å |
| 590 | A | 86.5 | Confident | 81.1 | Confident | 21 Ų | 21 | 92.3 Ų | 92.3 | 17% | 0.174 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.4 | -49.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I572 E586 M587 Q592 Q593 E594 | I572-A590 HydrophobicContact CD1-CB 4.44Å; I572-A590 HydrophobicContact CG2-CB 4.31Å; E586-A590 WeakPolarHBondContact O-CB 3.35Å; E586-A590 PolarHBondContact O-N 3.5Å; M587-A590 PolarHBondContact O-N 3.12Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 3.05Å; A590-Q593 WeakPolarHBondContact O-CA 3.37Å; A590-Q593 WeakPolarHBondContact O-CB 2.98Å; A590-Q593 PolarHBondContact O-N 3.23Å; A590-E594 PolarHBondContact O-N 3.33Å |
| 591 | V | 87.1 | Confident | 81.2 | Confident | 14 Ų | 14 | 90.3 Ų | 90.3 | 9% | 0.085 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 175.3 | 173 | 0 | 0 | 0 | 0 | 111 | L569 I572 M587 Q593 E594 L595 | L569-V591 HydrophobicContact CD1-CG2 3.76Å; I572-V591 HydrophobicContact CD1-CG2 3.94Å; M587-V591 WeakPolarHBondContact O-CG2 3.43Å; M587-V591 PolarHBondContact O-N 2.76Å; V591-Q593 VanDerWaalsContact C-N 3.3Å; V591-Q593 PolarHBondContact O-N 3.29Å; V591-E594 PolarHBondContact O-N 3Å; V591-L595 HydrophobicContact CG1-CD1 3.9Å; V591-L595 HydrophobicContact CG1-CG 4.4Å; V591-L595 WeakPolarHBondContact O-CB 3.05Å; V591-L595 VanDerWaalsContact O-CG 3.3Å; V591-L595 WeakPolarHBondContact O-CG 3.19Å; V591-L595 PolarHBondContact O-N 3.26Å |
| 592 | Q | 87.5 | Confident | 80.7 | Confident | 70 Ų | 70 | 88.1 Ų | 88.1 | 33% | 0.327 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.9 | -20.7 | 173.5 | -77.4 | -165.7 | 27.4 | 0 | 0 | 114.5 | H588 A590 R596 | H588-Q592 PolarHBondContact CD2-NE2 3.02Å; H588-Q592 VanDerWaalsContact CD2-NE2 3.32Å; H588-Q592 PolarHBondContact NE2-NE2 3.09Å; H588-Q592 WeakPolarHBondContact O-CB 3.26Å; H588-Q592 VanDerWaalsContact O-CG 3.29Å; H588-Q592 WeakPolarHBondContact O-CG 3.27Å; H588-Q592 PolarHBondContact O-N 3.35Å; H588-Q592 VanDerWaalsContact O-N 3.12Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 3.05Å; Q592-R596 WeakPolarHBondContact O-CD 3.48Å; Q592-R596 WeakPolarHBondContact O-CG 3.04Å; Q592-R596 PolarHBondContact O-NH1 3.37Å |
| 593 | Q | 87.7 | Confident | 80 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -78.6 | -47.5 | 172.5 | -76.5 | 174.7 | 48.1 | 0 | 0 | 110.1 | M589 A590 V591 L595 R596 L597 | M589-Q593 VanDerWaalsContact O-CG 3.31Å; M589-Q593 WeakPolarHBondContact O-CG 3.44Å; M589-Q593 PolarHBondContact O-N 2.96Å; A590-Q593 WeakPolarHBondContact O-CA 3.37Å; A590-Q593 WeakPolarHBondContact O-CB 2.98Å; A590-Q593 PolarHBondContact O-N 3.23Å; V591-Q593 VanDerWaalsContact C-N 3.3Å; V591-Q593 PolarHBondContact O-N 3.29Å; Q593-L595 PolarHBondContact O-N 3.04Å; Q593-R596 CarbonylContact O-C 3.56Å; Q593-R596 WeakPolarHBondContact O-CA 3.48Å; Q593-R596 WeakPolarHBondContact O-CB 3.45Å; Q593-R596 PolarHBondContact O-N 3.29Å; Q593-L597 PolarHBondContact O-N 3.29Å |
| 594 | E | 85.9 | Confident | 78.8 | Confident | 37 Ų | 37 | 91.4 Ų | 91.4 | 17% | 0.173 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 179.5 | -174.9 | 52.7 | -148 | 0 | 0 | 112 | L568 I572 A590 V591 R596 L597 R598 | L568-E594 HydrophobicContact CD2-CB 4.24Å; L568-E594 HydrophobicContact CD2-CG 3.34Å; I572-E594 HydrophobicContact CD1-CB 4.37Å; A590-E594 PolarHBondContact O-N 3.33Å; V591-E594 PolarHBondContact O-N 3Å; E594-R596 PolarHBondContact O-N 3.13Å; E594-L597 WeakPolarHBondContact O-CB 3.45Å; E594-L597 PolarHBondContact O-N 3.11Å; E594-R598 PolarHBondContact O-N 3.39Å; E594-R598 WeakPolarHBondContact OE1-CG 3.38Å; E594-R598 IonicContact OE1-CZ 3.81Å; E594-R598 IonicContact OE1-NE 3.7Å; E594-R598 PolarHBondContact OE1-NE 3.11Å; E594-R598 IonicContact OE1-NH2 2.67Å |
| 595 | L | 84.9 | Confident | 77.2 | Confident | 55 Ų | 55 | 90 Ų | 90 | 29% | 0.288 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.6 | -30.7 | 171.9 | -73.3 | 170.8 | 0 | 0 | 0 | 112.9 | L568 V591 Q593 N599 | L568-L595 HydrophobicContact CD1-CD2 4.14Å; V591-L595 HydrophobicContact CG1-CD1 3.9Å; V591-L595 HydrophobicContact CG1-CG 4.4Å; V591-L595 WeakPolarHBondContact O-CB 3.05Å; V591-L595 VanDerWaalsContact O-CG 3.3Å; V591-L595 WeakPolarHBondContact O-CG 3.19Å; V591-L595 PolarHBondContact O-N 3.26Å; Q593-L595 PolarHBondContact O-N 3.04Å; L595-N599 WeakPolarHBondContact O-CB 3.25Å; L595-N599 PolarHBondContact O-N 3.14Å; L595-N599 PolarHBondContact O-ND2 3.07Å |
| 596 | R | 85.5 | Confident | 75.5 | Confident | 135 Ų | 135 | 84.5 Ų | 84.5 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -78.6 | -26.4 | 174.6 | -72.4 | 174 | -170.8 | 114.3 | 2.8 | 113 | Q592 Q593 E594 R600 | Q592-R596 WeakPolarHBondContact O-CD 3.48Å; Q592-R596 WeakPolarHBondContact O-CG 3.04Å; Q592-R596 PolarHBondContact O-NH1 3.37Å; Q593-R596 CarbonylContact O-C 3.56Å; Q593-R596 WeakPolarHBondContact O-CA 3.48Å; Q593-R596 WeakPolarHBondContact O-CB 3.45Å; Q593-R596 PolarHBondContact O-N 3.29Å; E594-R596 PolarHBondContact O-N 3.13Å; R596-R600 WeakPolarHBondContact O-CG 3.21Å; R596-R600 PolarHBondContact O-N 2.84Å |
| 597 | L | 83.8 | Confident | 73.7 | Confident | 92 Ų | 92 | 85 Ų | 85 | 48% | 0.482 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72 | -52.8 | 172.2 | -67.5 | 172.1 | 0 | 0 | 0 | 109.9 | Q593 E594 N599 R600 T601 | Q593-L597 PolarHBondContact O-N 3.29Å; E594-L597 WeakPolarHBondContact O-CB 3.45Å; E594-L597 PolarHBondContact O-N 3.11Å; L597-N599 PolarHBondContact O-N 2.91Å; L597-R600 WeakPolarHBondContact O-CB 3.07Å; L597-R600 PolarHBondContact O-N 3.47Å; L597-T601 PolarHBondContact O-N 2.61Å; L597-T601 VanDerWaalsContact O-N 3.1Å; L597-T601 PolarHBondContact O-OG1 2.78Å |
| 598 | R | 81 | Confident | 72.1 | Confident | 70 Ų | 70 | 85.8 Ų | 85.8 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 178.2 | -66.2 | -176.4 | -180 | -156.3 | -5.2 | 112.9 | E571 E594 R600 T601 I602 | E571-R598 IonicContact OE1-NH2 3.76Å; E571-R598 PolarHBondContact OE1-NH2 3.32Å; E571-R598 IonicContact OE2-CZ 3.91Å; E571-R598 IonicContact OE2-NH2 2.96Å; E571-R598 PolarHBondContact OE2-NH2 2.85Å; E594-R598 PolarHBondContact O-N 3.39Å; E594-R598 WeakPolarHBondContact OE1-CG 3.38Å; E594-R598 IonicContact OE1-CZ 3.81Å; E594-R598 IonicContact OE1-NE 3.7Å; E594-R598 PolarHBondContact OE1-NE 3.11Å; E594-R598 IonicContact OE1-NH2 2.67Å; R598-R600 VanDerWaalsContact C-N 3.3Å; R598-R600 PolarHBondContact O-N 2.99Å; R598-T601 WeakPolarHBondContact O-CB 3.43Å; R598-T601 PolarHBondContact O-N 3.33Å; R598-T601 VanDerWaalsContact O-N 3.15Å; R598-I602 WeakPolarHBondContact O-CG1 3.39Å; R598-I602 PolarHBondContact O-N 3.29Å |
| 599 | N | 78.3 | Confident | 70.2 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -28.6 | 176 | -83.7 | -79.8 | 0 | 0 | 0 | 113.9 | L595 L597 H603 | L595-N599 WeakPolarHBondContact O-CB 3.25Å; L595-N599 PolarHBondContact O-N 3.14Å; L595-N599 PolarHBondContact O-ND2 3.07Å; L597-N599 PolarHBondContact O-N 2.91Å; N599-H603 PolarHBondContact O-CD2 3.2Å; N599-H603 PolarHBondContact O-N 3.24Å |
| 600 | R | 73.5 | Confident | 67.9 | Low | 179 Ų | 179 | 85.5 Ų | 85.5 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69 | -44.3 | 171.1 | -76.5 | 173.7 | 177.2 | -174.2 | 0.7 | 111.1 | R596 L597 R598 I602 H603 T604 | R596-R600 WeakPolarHBondContact O-CG 3.21Å; R596-R600 PolarHBondContact O-N 2.84Å; L597-R600 WeakPolarHBondContact O-CB 3.07Å; L597-R600 PolarHBondContact O-N 3.47Å; R598-R600 VanDerWaalsContact C-N 3.3Å; R598-R600 PolarHBondContact O-N 2.99Å; R600-I602 VanDerWaalsContact C-N 3.32Å; R600-I602 PolarHBondContact O-N 3.31Å; R600-H603 PolarHBondContact O-N 3.35Å; R600-T604 PolarHBondContact O-N 2.82Å; R600-T604 PolarHBondContact O-OG1 2.94Å; R600-T604 VanDerWaalsContact O-OG1 3.08Å |
| 601 | T | 62.4 | Low | 65.5 | Low | 96 Ų | 96 | 87.7 Ų | 87.7 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.4 | -43.7 | 178.2 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | L597 R598 H603 T604 A605 | L597-T601 PolarHBondContact O-N 2.61Å; L597-T601 VanDerWaalsContact O-N 3.1Å; L597-T601 PolarHBondContact O-OG1 2.78Å; R598-T601 WeakPolarHBondContact O-CB 3.43Å; R598-T601 PolarHBondContact O-N 3.33Å; R598-T601 VanDerWaalsContact O-N 3.15Å; T601-H603 PolarHBondContact O-N 3.46Å; T601-T604 PolarHBondContact O-N 2.86Å; T601-A605 WeakPolarHBondContact O-CB 3.32Å; T601-A605 PolarHBondContact O-N 3.21Å |
| 602 | I | 59.8 | Low | 63.1 | Low | 100 Ų | 100 | 92.4 Ų | 92.4 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.8 | -66.5 | 166.1 | 0 | 0 | 0 | 111.4 | R598 R600 T604 A605 A606 | R598-I602 WeakPolarHBondContact O-CG1 3.39Å; R598-I602 PolarHBondContact O-N 3.29Å; R600-I602 VanDerWaalsContact C-N 3.32Å; R600-I602 PolarHBondContact O-N 3.31Å; I602-T604 VanDerWaalsContact C-N 3.33Å; I602-T604 PolarHBondContact O-N 2.8Å; I602-A605 PolarHBondContact O-N 3.29Å; I602-A606 VanDerWaalsContact O-CB 3.25Å; I602-A606 WeakPolarHBondContact O-CB 3.45Å; I602-A606 PolarHBondContact O-N 2.71Å |
| 603 | H | 51.9 | Low | 60.8 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.2 | -30.2 | 178.4 | -74.7 | -52.2 | 0 | 0 | 0 | 113.8 | N599 R600 T601 S607 | N599-H603 PolarHBondContact O-CD2 3.2Å; N599-H603 PolarHBondContact O-N 3.24Å; R600-H603 PolarHBondContact O-N 3.35Å; T601-H603 PolarHBondContact O-N 3.46Å; H603-S607 WeakPolarHBondContact O-CB 3.36Å; H603-S607 PolarHBondContact O-N 3.21Å; H603-S607 PolarHBondContact O-OG 3.31Å |
| 604 | T | 53.5 | Low | 58.4 | Low | 103 Ų | 103 | 96 Ų | 96 | 63% | 0.632 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.6 | -44.2 | 173.6 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | R600 T601 I602 S607 | R600-T604 PolarHBondContact O-N 2.82Å; R600-T604 PolarHBondContact O-OG1 2.94Å; R600-T604 VanDerWaalsContact O-OG1 3.08Å; T601-T604 PolarHBondContact O-N 2.86Å; I602-T604 VanDerWaalsContact C-N 3.33Å; I602-T604 PolarHBondContact O-N 2.8Å; T604-S607 PolarHBondContact O-N 2.84Å |
| 605 | A | 47.7 | Very low | 56.2 | Low | 56 Ų | 56 | 99.1 Ų | 99.1 | 46% | 0.463 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.3 | -48.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T601 I602 S607 A608 S609 | T601-A605 WeakPolarHBondContact O-CB 3.32Å; T601-A605 PolarHBondContact O-N 3.21Å; I602-A605 PolarHBondContact O-N 3.29Å; A605-S607 PolarHBondContact O-N 3.19Å; A605-S607 VanDerWaalsContact O-N 3.12Å; A605-A608 PolarHBondContact O-N 2.9Å; A605-S609 PolarHBondContact O-N 3.47Å; A605-S609 PolarHBondContact O-OG 3.43Å |
| 606 | A | 48.1 | Very low | 54.1 | Low | 69 Ų | 69 | 103.9 Ų | 103.9 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -13.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | I602 | I602-A606 VanDerWaalsContact O-CB 3.25Å; I602-A606 WeakPolarHBondContact O-CB 3.45Å; I602-A606 PolarHBondContact O-N 2.71Å |
| 607 | S | 47.1 | Very low | 51.8 | Low | 108 Ų | 108 | 101.7 Ų | 101.7 | 76% | 0.755 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -7.3 | 172 | -56 | 0 | 0 | 0 | 0 | 113.4 | H603 T604 A605 | H603-S607 WeakPolarHBondContact O-CB 3.36Å; H603-S607 PolarHBondContact O-N 3.21Å; H603-S607 PolarHBondContact O-OG 3.31Å; T604-S607 PolarHBondContact O-N 2.84Å; A605-S607 PolarHBondContact O-N 3.19Å; A605-S607 VanDerWaalsContact O-N 3.12Å |
| 608 | A | 49.7 | Very low | 49.7 | Very low | 84 Ų | 84 | 102.9 Ų | 102.9 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -29.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | A605 G610 | A605-A608 PolarHBondContact O-N 2.9Å; A608-G610 PolarHBondContact O-N 3.28Å |
| 609 | S | 44.4 | Very low | 47.9 | Very low | 98 Ų | 98 | 103.9 Ų | 103.9 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | | | trans | -80.2 | 55.2 | 179.8 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | A605 | A605-S609 PolarHBondContact O-N 3.47Å; A605-S609 PolarHBondContact O-OG 3.43Å |
| 610 | G | 38.7 | Very low | 46 | Very low | 80 Ų | 80 | 108 Ų | 108 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | | | trans | -106.3 | 6.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A608 | A608-G610 PolarHBondContact O-N 3.28Š|
| 611 | G | 35.9 | Very low | 44.4 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -126.3 | 105.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 612 | S | 37.6 | Very low | 43.4 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | | | trans | 39.6 | 96.6 | 140.2 | -58.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 613 | I | 40.2 | Very low | 42.6 | Very low | 156 Ų | 156 | 106.1 Ų | 106.1 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | | | trans | 53.4 | 134.7 | 131.2 | 54.8 | 163.7 | 0 | 0 | 0 | 123.8 | | |
| 614 | S | 35.5 | Very low | 42 | Very low | 104 Ų | 104 | 108.2 Ų | 108.2 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | 84.9 | 143.8 | 138.9 | 63.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 615 | S | 40.9 | Very low | 41.3 | Very low | 102 Ų | 102 | 107.7 Ų | 107.7 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | 73.7 | 118.8 | 176.6 | -52.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 616 | I | 40.3 | Very low | 40.9 | Very low | 155 Ų | 155 | 111.2 Ų | 111.2 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | | | cis | 62.6 | 129.6 | 44 | 100.9 | 176.5 | 0 | 0 | 0 | 112.2 | | |
| 617 | S | 37.1 | Very low | 40.5 | Very low | 89 Ų | 89 | 114.7 Ų | 114.7 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | | | cis | -150.9 | 174.8 | 11.1 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 618 | S | 40.2 | Very low | 40.1 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | 72.2 | 154.1 | 146.1 | -61 | 0 | 0 | 0 | 0 | 119.3 | | |
| 619 | A | 43.4 | Very low | 39.5 | Very low | 90 Ų | 90 | 114.2 Ų | 114.2 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | cis | -167.6 | 165 | -22.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 620 | D | 37.5 | Very low | 39.3 | Very low | 171 Ų | 171 | 114.9 Ų | 114.9 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | | | trans | -153.3 | 153.5 | 153.3 | -143.7 | -24.6 | 0 | 0 | 0 | 110.9 | | |
| 621 | G | 41.6 | Very low | 39.3 | Very low | 67 Ų | 67 | 115.8 Ų | 115.8 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | 90.1 | 99.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 622 | S | 39.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | cis | 92.8 | 87.6 | 42.3 | -177.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 623 | I | 43.1 | Very low | 39.4 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | | | trans | -156.2 | 141.9 | 142.9 | 25 | 174.5 | 0 | 0 | 0 | 112.7 | | |
| 624 | E | 39.4 | Very low | 39.2 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | 54.5 | 105.7 | 149.7 | -59 | -170.9 | 128.4 | 0 | 0 | 123.3 | | |
| 625 | A | 40.2 | Very low | 39.5 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | | 35.5 | 126.3 | 126.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 626 | T | 38 | Very low | 39.4 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | | -179.6 | 127 | 103.3 | -74.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 627 | V | 41 | Very low | 39.2 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | | | trans | 17.7 | 129 | 153.4 | -174.4 | 0 | 0 | 0 | 0 | 121 | | |
| 628 | G | 37.3 | Very low | 39.3 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | 159.5 | 102.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 629 | S | 38.6 | Very low | 39.1 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | 16.9 | 124.3 | 150.1 | -59.6 | 0 | 0 | 0 | 0 | 121 | | |
| 630 | S | 38.8 | Very low | 38.7 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | | 64.5 | 129 | 83.3 | -55.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 631 | S | 39.5 | Very low | 38.6 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | cis | -158.5 | 166.6 | 24.3 | -84.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 632 | Q | 39 | Very low | 38.5 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 22.8 | 149.8 | 138.2 | -46.8 | 178.6 | 26.4 | 0 | 0 | 120.5 | | |
| 633 | T | 35.9 | Very low | 38.4 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | cis | -162.4 | -179.5 | 35.7 | -29.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 634 | S | 37 | Very low | 38.2 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | -81.5 | 178.6 | 178 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 635 | T | 41 | Very low | 38.2 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | | | cis | -164.7 | 160.5 | 41.1 | 56.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 636 | N | 38.5 | Very low | 37.9 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | 64.6 | 108.4 | 137 | -74.7 | -34 | 0 | 0 | 0 | 126.5 | | |
| 637 | R | 35.7 | Very low | 38.4 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | | 65.3 | 107.5 | 105.7 | -165.4 | -167 | -160 | -154.5 | 8.6 | 122 | | |
| 638 | A | 39.6 | Very low | 38.1 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -156.3 | 167.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 639 | K | 37.3 | Very low | 38.4 | Very low | 169 Ų | 169 | 140 Ų | 140 | 74% | 0.735 | 79% | 0.787 | S | S | * | * | | | trans | -159.7 | 126.7 | -172.8 | 176.1 | -168.7 | 175.8 | -170.4 | 0 | 112.1 | | |
| 640 | C | 34.2 | Very low | 38.4 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -132.8 | 159.7 | 164.9 | -75.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 641 | S | 35.8 | Very low | 38.4 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | -137.7 | 150 | 173 | -62.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 642 | H | 39.4 | Very low | 38.4 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | | | trans | -128.1 | 138.6 | 164.8 | -104.1 | -82.6 | 0 | 0 | 0 | 110.6 | | |
| 643 | H | 36 | Very low | 38.5 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | -85.1 | 153.9 | 163.1 | -88 | -102.1 | 0 | 0 | 0 | 109.8 | | |
| 644 | H | 40.3 | Very low | 38.8 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -141.4 | 164.9 | 142.2 | -112.1 | -83.7 | 0 | 0 | 0 | 110.1 | | |
| 645 | S | 38.2 | Very low | 39 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 155.9 | -149.2 | -48 | 0 | 0 | 0 | 0 | 116.2 | | |
| 646 | S | 35.7 | Very low | 39 | Very low | 111 Ų | 111 | 155.1 Ų | 155.1 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 158.7 | 164 | -42.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 647 | P | 46.6 | Very low | 39.2 | Very low | 123 Ų | 123 | 154.3 Ų | 154.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 148.2 | 143.8 | 34.7 | -28.2 | 0 | 0 | 0 | 111.1 | | |
| 648 | N | 35.7 | Very low | 39.3 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 153.4 | 168.9 | -70.9 | -51 | 0 | 0 | 0 | 110.6 | | |
| 649 | H | 42.7 | Very low | 39.5 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | trans | -149.2 | 161.8 | 144.7 | -138.2 | -87.9 | 0 | 0 | 0 | 112.2 | | |
| 650 | E | 39.5 | Very low | 39.7 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | | | trans | -116.5 | 159.6 | -148.2 | -139 | -167.4 | 112.9 | 0 | 0 | 115.8 | | |
| 651 | H | 39 | Very low | 40.3 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | trans | 47.9 | 112 | 145 | -115.9 | -92.3 | 0 | 0 | 0 | 121 | | |
| 652 | L | 40 | Very low | 40.5 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | | -155.9 | 142.4 | 116.1 | -140 | 70.8 | 0 | 0 | 0 | 112.3 | | |
| 653 | A | 40.2 | Very low | 40.7 | Very low | 71 Ų | 71 | 154.5 Ų | 154.5 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | | | trans | -124.8 | 154.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 654 | K | 42.8 | Very low | 41.3 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -172.3 | 145 | 136.3 | -105 | 145.1 | -167.6 | 166.1 | 0 | 115.9 | | |
| 655 | R | 41.4 | Very low | 41.3 | Very low | 226 Ų | 226 | 147.6 Ų | 147.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | 72.5 | 80 | 151.7 | -65.1 | 169.6 | -172.2 | -157.8 | 0.3 | 118.4 | | |
| 656 | H | 39.3 | Very low | 41.5 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | | | trans | -54.2 | 151.1 | 133.4 | -86.3 | -122.9 | 0 | 0 | 0 | 110.5 | | |
| 657 | C | 42.7 | Very low | 41.7 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -132.3 | 102.9 | 160.4 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 658 | S | 38.5 | Very low | 41.5 | Very low | 102 Ų | 102 | 157.6 Ų | 157.6 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | -117.7 | 107.2 | 175.9 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 659 | H | 44.2 | Very low | 41.8 | Very low | 164 Ų | 164 | 157.6 Ų | 157.6 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -94.8 | 98.8 | 175.2 | -114.1 | -86 | 0 | 0 | 0 | 109.5 | | |
| 660 | H | 41.6 | Very low | 41.8 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | -65.5 | 133.5 | 157 | -109.5 | -112.8 | 0 | 0 | 0 | 108.5 | Y662 | H660-Y662 AromaticContact ND1-CD2 3.93Š|
| 661 | C | 47.2 | Very low | 41.9 | Very low | 111 Ų | 111 | 155.5 Ų | 155.5 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | | | trans | -127 | 95.9 | 160.4 | -69.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 662 | Y | 40.1 | Very low | 42.1 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | | | trans | -65.3 | 142.6 | 158.9 | -106 | -102.5 | 0 | 0 | 0 | 108.5 | H660 | H660-Y662 AromaticContact ND1-CD2 3.93Š|
| 663 | F | 42.9 | Very low | 42.2 | Very low | 210 Ų | 210 | 154.9 Ų | 154.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -150.9 | 107.8 | 150 | -118 | -80.2 | 0 | 0 | 0 | 106.6 | | |
| 664 | S | 49.5 | Very low | 42.4 | Very low | 92 Ų | 92 | 161.3 Ų | 161.3 | 64% | 0.643 | 82% | 0.82 | S | S | * | * | | | trans | -88.2 | 168.1 | 165.7 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 665 | C | 39.8 | Very low | 42.4 | Very low | 119 Ų | 119 | 159 Ų | 159 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -72.3 | 149.6 | -177.4 | -42.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 666 | D | 41.2 | Very low | 42.5 | Very low | 237 Ų | 237 | 152.9 Ų | 152.9 | 100% | 1.267 | 82% | 0.816 | S | S | * | * | | | | -93.4 | 0 | 103.7 | -90.5 | -67 | 0 | 0 | 0 | 107 | | |