| 1 | M | 54.7 | Low | 63.9 | Low | 227 Ų | 227 | 145.3 Ų | 145.3 | 100% | 1.118 | 79% | 0.788 | S | S | * | * | | | | 0 | 96.9 | 0 | -165.3 | 173.7 | -172.5 | 0 | 0 | 106.9 | M3 | M1-M3 PolarHBondContact O-N 3.02Š|
| 2 | N | 63 | Low | 64.4 | Low | 169 Ų | 169 | 152.4 Ų | 152.4 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | trans | -85.5 | 105.5 | -175.9 | -78.3 | 4.4 | 0 | 0 | 0 | 109.1 | S4 | N2-S4 PolarHBondContact O-N 2.79Å; N2-S4 VanDerWaalsContact O-N 3.15Å |
| 3 | M | 65.7 | Low | 65 | Low | 171 Ų | 171 | 147.7 Ų | 147.7 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | | | trans | -68.1 | 108 | 172.4 | -61.8 | -105.2 | -76.7 | 0 | 0 | 107.5 | M1 K5 | M1-M3 PolarHBondContact O-N 3.02Å; M3-K5 PolarHBondContact O-N 3.26Å |
| 4 | S | 68.9 | Low | 65.6 | Low | 87 Ų | 87 | 148.4 Ų | 148.4 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | | | trans | -59.5 | 124.1 | 173.4 | 63 | 0 | 0 | 0 | 0 | 108.6 | N2 Q6 | N2-S4 PolarHBondContact O-N 2.79Å; N2-S4 VanDerWaalsContact O-N 3.15Å; S4-Q6 PolarHBondContact O-N 2.74Å |
| 5 | K | 67.4 | Low | 66.5 | Low | 206 Ų | 206 | 151.1 Ų | 151.1 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | -71.7 | 75.3 | 176.2 | -62.5 | 179.2 | -177.1 | 179.7 | 0 | 108.9 | M3 P7 | M3-K5 PolarHBondContact O-N 3.26Å; K5-P7 WeakPolarHBondContact O-CD 3Å |
| 6 | Q | 63.9 | Low | 67.1 | Low | 140 Ų | 140 | 145.8 Ų | 145.8 | 65% | 0.654 | 78% | 0.783 | S | S | * | * | | | trans | -67.2 | 124.7 | 168 | -62.6 | -60.5 | -28.8 | 0 | 0 | 106.6 | S4 V8 | S4-Q6 PolarHBondContact O-N 2.74Å; Q6-V8 PolarHBondContact O-N 3.01Å |
| 7 | P | 65.2 | Low | 68.3 | Low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -59 | 117.3 | 173.1 | 22.3 | -29.3 | 0 | 0 | 0 | 107.7 | K5 S9 | K5-P7 WeakPolarHBondContact O-CD 3Å; P7-S9 PolarHBondContact O-N 2.99Å |
| 8 | V | 62 | Low | 69.4 | Low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | -71.1 | 86.9 | 171.4 | -174.1 | 0 | 0 | 0 | 0 | 105.7 | Q6 N10 | Q6-V8 PolarHBondContact O-N 3.01Å; V8-N10 PolarHBondContact O-N 2.72Å |
| 9 | S | 61.5 | Low | 70.5 | Confident | 88 Ų | 88 | 145.5 Ų | 145.5 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | trans | -78.5 | 114.5 | 175.2 | 65.9 | 0 | 0 | 0 | 0 | 108.4 | P7 V11 | P7-S9 PolarHBondContact O-N 2.99Å; S9-V11 PolarHBondContact O-N 3.09Å; S9-V11 VanDerWaalsContact O-N 3.07Å |
| 10 | N | 66 | Low | 71.2 | Confident | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | trans | -69.4 | 2 | 171.9 | -66.6 | 18.9 | 0 | 0 | 0 | 112.7 | V8 R12 | V8-N10 PolarHBondContact O-N 2.72Å; N10-R12 PolarHBondContact O-N 3.23Å |
| 11 | V | 64.8 | Low | 72 | Confident | 115 Ų | 115 | 139.2 Ų | 139.2 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | | | trans | -76.8 | 104.8 | 178.7 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | S9 A13 | S9-V11 PolarHBondContact O-N 3.09Å; S9-V11 VanDerWaalsContact O-N 3.07Å; V11-A13 PolarHBondContact O-N 2.88Å |
| 12 | R | 69.8 | Low | 73.5 | Confident | 231 Ų | 231 | 137.5 Ų | 137.5 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | | | trans | -59.5 | 110.8 | 166.6 | -174.5 | 173.8 | -93.4 | -170.1 | -7 | 106.7 | N10 I14 | N10-R12 PolarHBondContact O-N 3.23Å; R12-I14 PolarHBondContact O-N 3.13Å |
| 13 | A | 72 | Confident | 74.6 | Confident | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | | | trans | -54.8 | 115.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V11 Q15 | V11-A13 PolarHBondContact O-N 2.88Å; A13-Q15 PolarHBondContact O-N 3.05Å |
| 14 | I | 73.7 | Confident | 75.5 | Confident | 158 Ų | 158 | 124.8 Ų | 124.8 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | | | trans | -69.4 | 121.4 | 170.5 | -62.2 | 172.9 | 0 | 0 | 0 | 105.4 | R12 A16 | R12-I14 PolarHBondContact O-N 3.13Å; I14-A16 PolarHBondContact O-N 2.9Å |
| 15 | Q | 78.8 | Confident | 76.1 | Confident | 189 Ų | 189 | 128.9 Ų | 128.9 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | | | trans | -65.4 | 105.7 | 174.8 | -173.4 | 168.7 | 22.2 | 0 | 0 | 108.5 | A13 | A13-Q15 PolarHBondContact O-N 3.05Š|
| 16 | A | 77.1 | Confident | 76.9 | Confident | 66 Ų | 66 | 127.6 Ų | 127.6 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | | | trans | -89.7 | 113.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | I14 I18 | I14-A16 PolarHBondContact O-N 2.9Å; A16-I18 VanDerWaalsContact C-N 3.31Å; A16-I18 HydrophobicContact CB-CD1 4.23Å; A16-I18 HydrophobicContact CB-CG1 4.07Å; A16-I18 HydrophobicContact CB-CG2 4.43Å; A16-I18 PolarHBondContact O-N 3.05Å; A16-I18 VanDerWaalsContact O-N 3.12Å |
| 17 | N | 86.7 | Confident | 77.8 | Confident | 166 Ų | 166 | 127.5 Ų | 127.5 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | | | trans | -82.9 | 79.1 | 170.9 | -174.4 | 17.9 | 0 | 0 | 0 | 109.2 | | |
| 18 | I | 87.5 | Confident | 78.3 | Confident | 111 Ų | 111 | 125 Ų | 125 | 57% | 0.569 | 69% | 0.692 | S | S | * | * | | | trans | -128.4 | 146.9 | -177.9 | 59.3 | 173.3 | 0 | 0 | 0 | 111.5 | A16 I20 | A16-I18 VanDerWaalsContact C-N 3.31Å; A16-I18 HydrophobicContact CB-CD1 4.23Å; A16-I18 HydrophobicContact CB-CG1 4.07Å; A16-I18 HydrophobicContact CB-CG2 4.43Å; A16-I18 PolarHBondContact O-N 3.05Å; A16-I18 VanDerWaalsContact O-N 3.12Å; I18-I20 HydrophobicContact CD1-CD1 3.61Å; I18-I20 HydrophobicContact CG1-CD1 3.84Å; I18-I20 HydrophobicContact CG1-CG1 4.2Å; I18-I20 PolarHBondContact O-N 2.93Å |
| 19 | N | 92 | Very high | 78.7 | Confident | 155 Ų | 155 | 120.9 Ų | 120.9 | 83% | 0.829 | 67% | 0.672 | S | S | * | * | | | trans | -72.4 | 114.9 | 170.6 | -175.2 | -50.5 | 0 | 0 | 0 | 108.8 | | |
| 20 | I | 84.2 | Confident | 79 | Confident | 70 Ų | 70 | 120.5 Ų | 120.5 | 36% | 0.359 | 68% | 0.682 | S | S | . | * | | | trans | -103 | 126.5 | 173.6 | -54.8 | -79.8 | 0 | 0 | 0 | 108.3 | I18 A24 F25 | I18-I20 HydrophobicContact CD1-CD1 3.61Å; I18-I20 HydrophobicContact CG1-CD1 3.84Å; I18-I20 HydrophobicContact CG1-CG1 4.2Å; I18-I20 PolarHBondContact O-N 2.93Å; I20-A24 HydrophobicContact CG2-CB 3.52Å; I20-F25 HydrophobicContact CB-CE2 4.24Å; I20-F25 HydrophobicContact CD1-CE2 4.43Å; I20-F25 HydrophobicContact CD1-CZ 4.3Å; I20-F25 HydrophobicContact CG1-CE2 4.12Å; I20-F25 HydrophobicContact CG1-CZ 4.43Å; I20-F25 HydrophobicContact CG2-CD2 4.07Å; I20-F25 HydrophobicContact CG2-CE2 3.62Å; I20-F25 HydrophobicContact CG2-CZ 4.28Å |
| 21 | P | 87.1 | Confident | 79.3 | Confident | 88 Ų | 88 | 119.3 Ų | 119.3 | 57% | 0.571 | 67% | 0.671 | S | S | * | * | | | trans | -65.7 | 147.5 | 176.4 | 27 | -34.2 | 0 | 0 | 0 | 111.7 | G23 A24 | P21-G23 VanDerWaalsContact C-N 3.25Å; P21-G23 PolarHBondContact O-N 3.11Å; P21-A24 HydrophobicContact CG-CB 4.45Å; P21-A24 PolarHBondContact O-N 3.31Å |
| 22 | M | 86.9 | Confident | 79.5 | Confident | 192 Ų | 192 | 118.3 Ų | 118.3 | 95% | 0.946 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 82.4 | 174.3 | -69.1 | -170.7 | -66 | 0 | 0 | 110.8 | | |
| 23 | G | 85.9 | Confident | 79.6 | Confident | 29 Ų | 29 | 113.3 Ų | 113.3 | 30% | 0.299 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 165.4 | -31.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P21 F25 R26 A29 | P21-G23 VanDerWaalsContact C-N 3.25Å; P21-G23 PolarHBondContact O-N 3.11Å; G23-F25 PolarHBondContact O-N 3.21Å; G23-F25 VanDerWaalsContact O-N 3.15Å; G23-R26 WeakPolarHBondContact O-CB 3.26Å; G23-R26 PolarHBondContact O-N 3.3Å; G23-A29 WeakPolarHBondContact O-CB 3.33Å |
| 24 | A | 83.6 | Confident | 79.4 | Confident | 44 Ų | 44 | 119.1 Ų | 119.1 | 36% | 0.364 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -25.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I20 P21 A29 | I20-A24 HydrophobicContact CG2-CB 3.52Å; P21-A24 HydrophobicContact CG-CB 4.45Å; P21-A24 PolarHBondContact O-N 3.31Å; A24-A29 WeakPolarHBondContact O-CB 3.19Å |
| 25 | F | 81.4 | Confident | 79.2 | Confident | 173 Ų | 173 | 122.3 Ų | 122.3 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 11.7 | 177.5 | -57.6 | -63.1 | 0 | 0 | 0 | 113.9 | I20 G23 | I20-F25 HydrophobicContact CB-CE2 4.24Å; I20-F25 HydrophobicContact CD1-CE2 4.43Å; I20-F25 HydrophobicContact CD1-CZ 4.3Å; I20-F25 HydrophobicContact CG1-CE2 4.12Å; I20-F25 HydrophobicContact CG1-CZ 4.43Å; I20-F25 HydrophobicContact CG2-CD2 4.07Å; I20-F25 HydrophobicContact CG2-CE2 3.62Å; I20-F25 HydrophobicContact CG2-CZ 4.28Å; G23-F25 PolarHBondContact O-N 3.21Å; G23-F25 VanDerWaalsContact O-N 3.15Å |
| 26 | R | 85.5 | Confident | 78.8 | Confident | 179 Ų | 179 | 122.7 Ų | 122.7 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -61 | 145 | 171.3 | -74.1 | -178 | 176.1 | -140 | 0 | 108.7 | G23 G28 A29 | G23-R26 WeakPolarHBondContact O-CB 3.26Å; G23-R26 PolarHBondContact O-N 3.3Å; R26-G28 PolarHBondContact O-N 3.23Å; R26-G28 VanDerWaalsContact O-N 3.12Å; R26-A29 HydrophobicContact CB-CB 4.13Å; R26-A29 WeakPolarHBondContact O-CB 3.49Å; R26-A29 PolarHBondContact O-N 3.29Å |
| 27 | P | 81.5 | Confident | 78.1 | Confident | 138 Ų | 138 | 127.4 Ų | 127.4 | 90% | 0.896 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | 124.3 | 172.6 | -27.4 | 35.5 | 0 | 0 | 0 | 110.6 | A29 | P27-A29 VanDerWaalsContact C-N 3.34Å; P27-A29 PolarHBondContact O-N 3.24Å |
| 28 | G | 77.3 | Confident | 76.4 | Confident | 58 Ų | 58 | 125.3 Ų | 125.3 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | -13.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R26 G30 Q31 | R26-G28 PolarHBondContact O-N 3.23Å; R26-G28 VanDerWaalsContact O-N 3.12Å; G28-G30 PolarHBondContact O-N 3.06Å; G28-Q31 PolarHBondContact O-N 3.35Å |
| 29 | A | 69.7 | Low | 74.9 | Confident | 43 Ų | 43 | 125.5 Ų | 125.5 | 36% | 0.355 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 123.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G23 A24 R26 P27 Q31 | G23-A29 WeakPolarHBondContact O-CB 3.33Å; A24-A29 WeakPolarHBondContact O-CB 3.19Å; R26-A29 HydrophobicContact CB-CB 4.13Å; R26-A29 WeakPolarHBondContact O-CB 3.49Å; R26-A29 PolarHBondContact O-N 3.29Å; P27-A29 VanDerWaalsContact C-N 3.34Å; P27-A29 PolarHBondContact O-N 3.24Å; A29-Q31 VanDerWaalsContact C-N 3.34Å |
| 30 | G | 68.8 | Low | 73 | Confident | 81 Ų | 81 | 123.3 Ų | 123.3 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.8 | -9.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G28 P32 | G28-G30 PolarHBondContact O-N 3.06Å; G30-P32 WeakPolarHBondContact O-CD 3.32Å |
| 31 | Q | 70.4 | Confident | 71.3 | Confident | 128 Ų | 128 | 128.1 Ų | 128.1 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 120.3 | 169.2 | -159.3 | 81.1 | 29.8 | 0 | 0 | 107.7 | G28 A29 | G28-Q31 PolarHBondContact O-N 3.35Å; A29-Q31 VanDerWaalsContact C-N 3.34Å |
| 32 | P | 70.4 | Confident | 69.3 | Low | 95 Ų | 95 | 130.5 Ų | 130.5 | 62% | 0.617 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 138.3 | 170.6 | -20.5 | 31.4 | 0 | 0 | 0 | 108.4 | G30 R34 | G30-P32 WeakPolarHBondContact O-CD 3.32Å; P32-R34 PolarHBondContact O-N 3.28Å |
| 33 | P | 70.7 | Confident | 67.3 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 118.6 | 170.7 | -26.2 | 34 | 0 | 0 | 0 | 107.9 | R35 | P33-R35 PolarHBondContact O-N 3.08Å; P33-R35 VanDerWaalsContact O-N 3.08Å |
| 34 | R | 68 | Low | 65 | Low | 212 Ų | 212 | 137.6 Ų | 137.6 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 125.3 | 174.9 | -74 | -167.4 | -178.4 | 146.1 | 1.2 | 105.9 | P32 K36 | P32-R34 PolarHBondContact O-N 3.28Å; R34-K36 PolarHBondContact O-N 3Å |
| 35 | R | 70.9 | Confident | 62.8 | Low | 225 Ų | 225 | 138.8 Ų | 138.8 | 85% | 0.849 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 135.3 | 167 | -84 | 170.6 | 50.1 | 87.1 | 2 | 106.1 | P33 E37 | P33-R35 PolarHBondContact O-N 3.08Å; P33-R35 VanDerWaalsContact O-N 3.08Å; R35-E37 PolarHBondContact O-N 2.69Å |
| 36 | K | 68.5 | Low | 60.8 | Low | 197 Ų | 197 | 136.5 Ų | 136.5 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | | | trans | -56.5 | 95.9 | 175.8 | -63.8 | -158 | -179.9 | -170.9 | 0 | 107.7 | R34 C38 | R34-K36 PolarHBondContact O-N 3Å; K36-C38 PolarHBondContact O-N 2.87Å |
| 37 | E | 64 | Low | 58.7 | Low | 166 Ų | 166 | 133.1 Ų | 133.1 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -65.9 | 96.6 | 153.4 | -69.9 | 178.4 | -155.1 | 0 | 0 | 102.4 | R35 T39 | R35-E37 PolarHBondContact O-N 2.69Å; E37-T39 PolarHBondContact O-N 3.49Å; E37-T39 PolarHBondContact O-OG1 2.78Å |
| 38 | C | 50.8 | Low | 57.1 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | -64.1 | 77.7 | 167.6 | -109.2 | 0 | 0 | 0 | 0 | 106.5 | K36 P40 | K36-C38 PolarHBondContact O-N 2.87Å; C38-P40 WeakPolarHBondContact O-CD 3.34Å |
| 39 | T | 56 | Low | 55.4 | Low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | -80.3 | 105.9 | 149.3 | 13.8 | 0 | 0 | 0 | 0 | 105 | E37 E41 | E37-T39 PolarHBondContact O-N 3.49Å; E37-T39 PolarHBondContact O-OG1 2.78Å; T39-E41 PolarHBondContact O-N 2.98Å |
| 40 | P | 51.3 | Low | 54.2 | Low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | trans | -69.9 | 86 | 163.7 | 31.2 | -31.1 | 0 | 0 | 0 | 106.1 | C38 V42 | C38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-V42 HydrophobicContact CB-CG2 4.31Å; P40-V42 PolarHBondContact O-N 2.88Å |
| 41 | E | 48.1 | Very low | 53 | Low | 171 Ų | 171 | 141.9 Ų | 141.9 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | -69.1 | 92.4 | 158.3 | -162 | 169.6 | -157.2 | 0 | 0 | 104.9 | T39 E43 | T39-E41 PolarHBondContact O-N 2.98Å; E41-E43 PolarHBondContact O-N 3.41Å |
| 42 | V | 46 | Very low | 52.1 | Low | 138 Ų | 138 | 144 Ų | 144 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | -70.5 | 78.7 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 106.1 | P40 | P40-V42 HydrophobicContact CB-CG2 4.31Å; P40-V42 PolarHBondContact O-N 2.88Å |
| 43 | E | 44.1 | Very low | 51.1 | Low | 173 Ų | 173 | 146.6 Ų | 146.6 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -100.7 | 141.8 | 162.4 | -132 | -168.8 | -178.4 | 0 | 0 | 108.6 | E41 | E41-E43 PolarHBondContact O-N 3.41Š|
| 44 | E | 39 | Very low | 50.5 | Low | 197 Ų | 197 | 150.9 Ų | 150.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -56.7 | 149.1 | -160 | -66.4 | -174 | 118.9 | 0 | 0 | 115.4 | | |
| 45 | G | 36.2 | Very low | 49.8 | Very low | 69 Ų | 69 | 147.9 Ų | 147.9 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 110.8 | 60.4 | 134.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 46 | V | 40.7 | Very low | 49.3 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | | | trans | -150.5 | 118.4 | 137.1 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | P48 | V46-P48 WeakPolarHBondContact O-CD 3.13Š|
| 47 | P | 40.5 | Very low | 48.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -71 | 112.4 | 162.1 | 27.3 | -28.6 | 0 | 0 | 0 | 108 | T49 | P47-T49 VanDerWaalsContact C-N 3.32Å; P47-T49 PolarHBondContact O-N 3.38Å |
| 48 | P | 48.3 | Very low | 48.5 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -67.7 | 104.1 | 165.5 | 29.6 | -30.6 | 0 | 0 | 0 | 106.4 | V46 | V46-P48 WeakPolarHBondContact O-CD 3.13Š|
| 49 | T | 40.1 | Very low | 48.8 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -47.9 | 152.1 | 166.1 | 47.4 | 0 | 0 | 0 | 0 | 111.6 | P47 | P47-T49 VanDerWaalsContact C-N 3.32Å; P47-T49 PolarHBondContact O-N 3.38Å |
| 50 | S | 45 | Very low | 49 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | 67.1 | 98.9 | 160.1 | 54.7 | 0 | 0 | 0 | 0 | 117.3 | E52 | S50-E52 PolarHBondContact O-N 3.3Å; S50-E52 VanDerWaalsContact O-N 3.09Å |
| 51 | D | 43.3 | Very low | 49.4 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -39.4 | 102.4 | 143.3 | -76.4 | -75.6 | 0 | 0 | 0 | 111.4 | | |
| 52 | E | 51.6 | Low | 50.4 | Low | 172 Ų | 172 | 138.9 Ų | 138.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -152.9 | 114.2 | 160.5 | -112.9 | 162.6 | -170.6 | 0 | 0 | 109.9 | S50 | S50-E52 PolarHBondContact O-N 3.3Å; S50-E52 VanDerWaalsContact O-N 3.09Å |
| 53 | E | 50.8 | Low | 51.6 | Low | 150 Ų | 150 | 139.5 Ų | 139.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | 55.8 | 81.3 | 162.7 | -61.8 | -167 | 126.7 | 0 | 0 | 117 | K55 | E53-K55 HydrophobicContact CB-CG 4.24Å; E53-K55 PolarHBondContact O-N 2.95Å; E53-K55 WeakPolarHBondContact OE2-CE 2.98Å; E53-K55 IonicContact OE2-NZ 3.88Å |
| 54 | K | 56.5 | Low | 53.2 | Low | 216 Ų | 216 | 137.9 Ų | 137.9 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | | | trans | -56.2 | 79.7 | 147.5 | -73.5 | 175 | -179.2 | 157.2 | 0 | 109.1 | P56 | K54-P56 VanDerWaalsContact O-CD 3.26Å; K54-P56 WeakPolarHBondContact O-CD 3.29Å; K54-P56 VanDerWaalsContact O-N 3.15Å |
| 55 | K | 54.6 | Low | 55.1 | Low | 150 Ų | 150 | 130.9 Ų | 130.9 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | | | trans | -64.7 | 116.1 | 167.2 | -63.5 | -142.5 | -179.3 | -178.1 | 0 | 106.5 | E53 I57 | E53-K55 HydrophobicContact CB-CG 4.24Å; E53-K55 PolarHBondContact O-N 2.95Å; E53-K55 WeakPolarHBondContact OE2-CE 2.98Å; E53-K55 IonicContact OE2-NZ 3.88Å; K55-I57 PolarHBondContact O-N 3.27Å |
| 56 | P | 59.1 | Low | 57.2 | Low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -60.6 | 114.6 | -179.7 | 23.8 | -31 | 0 | 0 | 0 | 106.7 | K54 P58 | K54-P56 VanDerWaalsContact O-CD 3.26Å; K54-P56 WeakPolarHBondContact O-CD 3.29Å; K54-P56 VanDerWaalsContact O-N 3.15Å; P56-P58 WeakPolarHBondContact O-CD 3.2Å |
| 57 | I | 60.7 | Low | 59.1 | Low | 144 Ų | 144 | 132.9 Ų | 132.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -56.1 | 110.7 | 178.9 | -61.5 | 176.2 | 0 | 0 | 0 | 106.6 | K55 G59 A60 | K55-I57 PolarHBondContact O-N 3.27Å; I57-G59 PolarHBondContact O-N 3.37Å; I57-A60 PolarHBondContact O-N 3.21Å |
| 58 | P | 55.3 | Low | 60.8 | Low | 132 Ų | 132 | 132.3 Ų | 132.3 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 110.8 | -177 | -19.1 | 33.1 | 0 | 0 | 0 | 107.5 | P56 | P56-P58 WeakPolarHBondContact O-CD 3.2Š|
| 59 | G | 57.7 | Low | 62.5 | Low | 57 Ų | 57 | 130 Ų | 130 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.9 | -5.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I57 K61 | I57-G59 PolarHBondContact O-N 3.37Å; G59-K61 PolarHBondContact O-N 3.12Å |
| 60 | A | 59.2 | Low | 64.5 | Low | 89 Ų | 89 | 130.1 Ų | 130.1 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | | | trans | -68.8 | 49.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I57 K62 | I57-A60 PolarHBondContact O-N 3.21Å; A60-K62 PolarHBondContact O-N 3.34Å |
| 61 | K | 61.2 | Low | 66.4 | Low | 175 Ų | 175 | 128.7 Ų | 128.7 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | | | trans | -54.5 | 112.2 | 159 | -62.6 | 180 | -178 | -179.7 | 0 | 103.3 | G59 L63 | G59-K61 PolarHBondContact O-N 3.12Å; K61-L63 PolarHBondContact O-N 3.49Å |
| 62 | K | 67.7 | Low | 68.4 | Low | 206 Ų | 206 | 126.6 Ų | 126.6 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | | | trans | -46.8 | 108.6 | 175 | -72.5 | -174.1 | 178.4 | -175.4 | 0 | 106 | A60 | A60-K62 PolarHBondContact O-N 3.34Š|
| 63 | L | 72 | Confident | 69.8 | Low | 151 Ų | 151 | 122.8 Ų | 122.8 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | | | trans | -57.8 | 138.4 | -177.9 | -68.6 | 174 | 0 | 0 | 0 | 106.5 | K61 G65 | K61-L63 PolarHBondContact O-N 3.49Å; L63-G65 PolarHBondContact O-N 3.31Å |
| 64 | P | 78.8 | Confident | 71.2 | Confident | 138 Ų | 138 | 122.3 Ų | 122.3 | 90% | 0.896 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -53.6 | 110.4 | 172.3 | -23.5 | 33.3 | 0 | 0 | 0 | 108 | | |
| 65 | G | 77.5 | Confident | 72.4 | Confident | 51 Ų | 51 | 119.4 Ų | 119.4 | 53% | 0.526 | 69% | 0.69 | S | S | . | * | | | trans | -164.7 | 154.2 | -173 | 0 | 0 | 0 | 0 | 0 | 108.7 | L63 A67 | L63-G65 PolarHBondContact O-N 3.31Å; G65-A67 PolarHBondContact O-N 3.22Å |
| 66 | P | 81.6 | Confident | 73.7 | Confident | 126 Ų | 126 | 117.8 Ų | 117.8 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | | | trans | -51.6 | 129.4 | 174 | -25 | 34.4 | 0 | 0 | 0 | 109.8 | V68 | P66-V68 PolarHBondContact O-N 2.74Å; P66-V68 VanDerWaalsContact O-N 3.11Å |
| 67 | A | 78.8 | Confident | 74.7 | Confident | 109 Ų | 109 | 121.5 Ų | 121.5 | 90% | 0.901 | 69% | 0.692 | S | S | * | * | | | trans | -65 | 114.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | G65 | G65-A67 PolarHBondContact O-N 3.22Š|
| 68 | V | 78 | Confident | 75.7 | Confident | 96 Ų | 96 | 119 Ų | 119 | 58% | 0.582 | 69% | 0.688 | S | S | * | * | | | trans | -98.5 | 124.7 | 172.2 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | P66 I73 | P66-V68 PolarHBondContact O-N 2.74Å; P66-V68 VanDerWaalsContact O-N 3.11Å; V68-I73 HydrophobicContact CG1-CD1 4.39Å |
| 69 | N | 83.6 | Confident | 77.2 | Confident | 74 Ų | 74 | 121.3 Ų | 121.3 | 40% | 0.396 | 69% | 0.687 | S | S | . | * | | | trans | -81.4 | 118.4 | 170.7 | -177.5 | -1.1 | 0 | 0 | 0 | 109.2 | S71 E72 | N69-S71 VanDerWaalsContact CG-OG 3.23Å; N69-S71 PolarHBondContact ND2-OG 3.07Å; N69-S71 PolarHBondContact O-N 3.12Å; N69-S71 PolarHBondContact OD1-N 3.5Å; N69-S71 PolarHBondContact OD1-OG 2.82Å; N69-E72 HydrophobicContact CB-CG 3.98Å; N69-E72 WeakPolarHBondContact CB-OE1 3.5Å; N69-E72 PolarHBondContact ND2-OE1 3.15Å; N69-E72 VanDerWaalsContact ND2-OE1 3.13Å; N69-E72 WeakPolarHBondContact O-CB 3.43Å; N69-E72 PolarHBondContact O-N 3.01Å |
| 70 | L | 81.7 | Confident | 78.3 | Confident | 116 Ų | 116 | 125.9 Ų | 125.9 | 61% | 0.607 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -65.1 | -28.1 | -178.8 | -59.8 | 179.6 | 0 | 0 | 0 | 112.3 | E72 I73 Q74 | L70-E72 PolarHBondContact O-N 2.97Å; L70-I73 HydrophobicContact CD2-CD1 4.16Å; L70-I73 WeakPolarHBondContact O-CG1 3.33Å; L70-I73 PolarHBondContact O-N 3.12Å; L70-Q74 WeakPolarHBondContact O-CG 3.46Å; L70-Q74 PolarHBondContact O-N 3.22Å |
| 71 | S | 85.4 | Confident | 79.6 | Confident | 67 Ų | 67 | 130.6 Ų | 130.6 | 47% | 0.469 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -65.7 | -27.4 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | N69 I73 | N69-S71 VanDerWaalsContact CG-OG 3.23Å; N69-S71 PolarHBondContact ND2-OG 3.07Å; N69-S71 PolarHBondContact O-N 3.12Å; N69-S71 PolarHBondContact OD1-N 3.5Å; N69-S71 PolarHBondContact OD1-OG 2.82Å; S71-I73 VanDerWaalsContact C-N 3.34Å |
| 72 | E | 83.8 | Confident | 80.8 | Confident | 127 Ų | 127 | 131.4 Ų | 131.4 | 59% | 0.593 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -70.2 | -33.7 | 179.9 | -69.3 | 167.2 | -152 | 0 | 0 | 111.4 | N69 L70 I76 | N69-E72 HydrophobicContact CB-CG 3.98Å; N69-E72 WeakPolarHBondContact CB-OE1 3.5Å; N69-E72 PolarHBondContact ND2-OE1 3.15Å; N69-E72 VanDerWaalsContact ND2-OE1 3.13Å; N69-E72 WeakPolarHBondContact O-CB 3.43Å; N69-E72 PolarHBondContact O-N 3.01Å; L70-E72 PolarHBondContact O-N 2.97Å; E72-I76 WeakPolarHBondContact O-CD1 3.19Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.03Å |
| 73 | I | 81.1 | Confident | 81.7 | Confident | 91 Ų | 91 | 127.3 Ų | 127.3 | 47% | 0.467 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -97.4 | -6.6 | -176.2 | 59.9 | 170.6 | 0 | 0 | 0 | 114.2 | V68 L70 S71 N75 I76 | V68-I73 HydrophobicContact CG1-CD1 4.39Å; L70-I73 HydrophobicContact CD2-CD1 4.16Å; L70-I73 WeakPolarHBondContact O-CG1 3.33Å; L70-I73 PolarHBondContact O-N 3.12Å; S71-I73 VanDerWaalsContact C-N 3.34Å; I73-N75 PolarHBondContact O-N 3.3Å; I73-I76 PolarHBondContact O-N 3.18Å |
| 74 | Q | 80.2 | Confident | 82.4 | Confident | 140 Ų | 140 | 124.4 Ų | 124.4 | 65% | 0.654 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -23.3 | -174.3 | -92.5 | 171 | 9.8 | 0 | 0 | 114.6 | L70 | L70-Q74 WeakPolarHBondContact O-CG 3.46Å; L70-Q74 PolarHBondContact O-N 3.22Å |
| 75 | N | 82.3 | Confident | 82.7 | Confident | 156 Ų | 156 | 126.7 Ų | 126.7 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 6.5 | 179.9 | -63 | -50.7 | 0 | 0 | 0 | 113.5 | I73 | I73-N75 PolarHBondContact O-N 3.3Š|
| 76 | I | 82.1 | Confident | 82.7 | Confident | 115 Ų | 115 | 128.6 Ų | 128.6 | 59% | 0.59 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 118.2 | -178.3 | -60.9 | -179.1 | 0 | 0 | 0 | 108.6 | E72 I73 S78 | E72-I76 WeakPolarHBondContact O-CD1 3.19Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.03Å; I73-I76 PolarHBondContact O-N 3.18Å; I76-S78 PolarHBondContact O-N 3.03Å |
| 77 | K | 80.7 | Confident | 82.4 | Confident | 191 Ų | 191 | 132.3 Ų | 132.3 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -69 | 121 | 166.2 | -69.2 | -177 | 178.9 | 179.8 | 0 | 108 | E79 | K77-E79 PolarHBondContact O-N 3.07Š|
| 78 | S | 81.7 | Confident | 81.2 | Confident | 93 Ų | 93 | 139.5 Ų | 139.5 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 125.5 | 174.4 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | I76 L80 | I76-S78 PolarHBondContact O-N 3.03Å; S78-L80 PolarHBondContact O-N 2.88Å |
| 79 | E | 85.5 | Confident | 81.3 | Confident | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | | | trans | -85.3 | 12.5 | 173.9 | 64.1 | -151.4 | -160.6 | 0 | 0 | 113.5 | K77 K81 | K77-E79 PolarHBondContact O-N 3.07Å; E79-K81 PolarHBondContact O-N 3.35Å |
| 80 | L | 82 | Confident | 81.2 | Confident | 153 Ų | 153 | 145.2 Ų | 145.2 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 132.3 | -179.1 | -62.4 | 179.6 | 0 | 0 | 0 | 110.7 | S78 | S78-L80 PolarHBondContact O-N 2.88Š|
| 81 | K | 86.8 | Confident | 81.2 | Confident | 187 Ų | 187 | 146.8 Ų | 146.8 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 137.7 | 173.7 | -65.7 | 176.7 | -178.3 | 169.5 | 0 | 109.6 | E79 V83 | E79-K81 PolarHBondContact O-N 3.35Å; K81-V83 PolarHBondContact O-N 3.04Å |
| 82 | Y | 86.1 | Confident | 80.9 | Confident | 193 Ų | 193 | 151.5 Ų | 151.5 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123.3 | 169.4 | 178.9 | -100.1 | 0 | 0 | 0 | 109.3 | P84 | Y82-P84 HydrophobicContact CD1-CG 4.11Å; Y82-P84 HydrophobicContact CE1-CB 4.12Å; Y82-P84 HydrophobicContact CE1-CG 3.96Å; Y82-P84 WeakPolarHBondContact O-CD 3.46Å |
| 83 | V | 86.6 | Confident | 80.8 | Confident | 120 Ų | 120 | 153.1 Ų | 153.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -99.3 | 110.9 | 171.3 | -179 | 0 | 0 | 0 | 0 | 107.2 | K81 K85 | K81-V83 PolarHBondContact O-N 3.04Å; V83-K85 PolarHBondContact O-N 2.83Å |
| 84 | P | 86.2 | Confident | 80.7 | Confident | 89 Ų | 89 | 157.2 Ų | 157.2 | 58% | 0.578 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.1 | 172.6 | -22.2 | 32.5 | 0 | 0 | 0 | 110.1 | Y82 A86 | Y82-P84 HydrophobicContact CD1-CG 4.11Å; Y82-P84 HydrophobicContact CE1-CB 4.12Å; Y82-P84 HydrophobicContact CE1-CG 3.96Å; Y82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-A86 PolarHBondContact O-N 3.23Å |
| 85 | K | 84 | Confident | 80.8 | Confident | 187 Ų | 187 | 158.4 Ų | 158.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123.5 | 171.4 | -62 | -65.8 | -177.3 | 179.8 | 0 | 107.6 | V83 E87 | V83-K85 PolarHBondContact O-N 2.83Å; K85-E87 PolarHBondContact O-N 3.15Å |
| 86 | A | 78.7 | Confident | 80.7 | Confident | 91 Ų | 91 | 158.6 Ų | 158.6 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | P84 Q88 | P84-A86 PolarHBondContact O-N 3.23Å; A86-Q88 PolarHBondContact O-N 3.37Å; A86-Q88 VanDerWaalsContact O-N 3.12Å |
| 87 | E | 74.9 | Confident | 80.5 | Confident | 204 Ų | 204 | 162.3 Ų | 162.3 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | | | trans | -63.1 | 107.8 | 162 | -69.2 | 177.9 | 164.5 | 0 | 0 | 106 | K85 | K85-E87 PolarHBondContact O-N 3.15Š|
| 88 | Q | 53.4 | Low | 80.5 | Confident | 259 Ų | 259 | 159.6 Ų | 159.6 | 100% | 1.21 | 81% | 0.809 | S | S | * | * | | | trans | -117.3 | 0 | 175.2 | -151.8 | 175.7 | 23.4 | 0 | 0 | 108.6 | A86 | A86-Q88 PolarHBondContact O-N 3.37Å; A86-Q88 VanDerWaalsContact O-N 3.12Å |