| 1 | M | 41.7 | Very low | 46.4 | Very low | 236 Ų | 236 | 171.1 Ų | 171.1 | 100% | 1.163 | 83% | 0.83 | S | S | * | * | | | | 0 | 104.2 | 0 | -123.9 | -162.8 | -102.1 | 0 | 0 | 107 | | |
| 2 | Y | 45.4 | Very low | 46.5 | Very low | 229 Ų | 229 | 163.9 Ų | 163.9 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | trans | -119.9 | 109.5 | 174.4 | -74.2 | -81.4 | 0 | 0 | 0 | 107.7 | V4 | Y2-V4 PolarHBondContact O-N 2.99Š|
| 3 | L | 42.2 | Very low | 46.5 | Very low | 160 Ų | 160 | 158 Ų | 158 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -82.6 | 101.2 | 173.9 | -122.6 | 150.8 | 0 | 0 | 0 | 106.6 | I5 | L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 3.17Å |
| 4 | V | 51 | Low | 46.5 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -72.1 | 94.5 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 107 | Y2 C6 | Y2-V4 PolarHBondContact O-N 2.99Å; V4-C6 PolarHBondContact O-N 3.32Å |
| 5 | I | 52.9 | Low | 46.5 | Very low | 140 Ų | 140 | 157.9 Ų | 157.9 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -69.2 | 102.2 | 170.1 | -63.3 | 169.8 | 0 | 0 | 0 | 106 | L3 Q7 | L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 3.17Å; I5-Q7 VanDerWaalsContact C-N 3.26Å; I5-Q7 PolarHBondContact O-N 3.12Å |
| 6 | C | 47.4 | Very low | 46.6 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -62.1 | 93.5 | 167.8 | -68 | 0 | 0 | 0 | 0 | 108 | V4 R8 | V4-C6 PolarHBondContact O-N 3.32Å; C6-R8 VanDerWaalsContact C-N 3.3Å; C6-R8 PolarHBondContact O-N 3.28Å |
| 7 | Q | 47 | Very low | 46.7 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -66.8 | 93.6 | 174.7 | -165.1 | 159.9 | 8.1 | 0 | 0 | 107.4 | I5 | I5-Q7 VanDerWaalsContact C-N 3.26Å; I5-Q7 PolarHBondContact O-N 3.12Å |
| 8 | R | 46 | Very low | 47 | Very low | 231 Ų | 231 | 149.7 Ų | 149.7 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -54.7 | 126 | 169.9 | -112.5 | -178.7 | 172.4 | 115.7 | -2.1 | 106.8 | C6 N10 | C6-R8 VanDerWaalsContact C-N 3.3Å; C6-R8 PolarHBondContact O-N 3.28Å; R8-N10 PolarHBondContact O-N 3.07Å |
| 9 | P | 43.7 | Very low | 47.2 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -54.1 | 120.1 | 177.8 | -23.7 | 31.9 | 0 | 0 | 0 | 108.4 | R11 | P9-R11 PolarHBondContact O-N 2.95Š|
| 10 | N | 46.7 | Very low | 47.4 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -64.6 | 84.8 | 169.3 | -172.7 | -3.5 | 0 | 0 | 0 | 106.7 | R8 S12 | R8-N10 PolarHBondContact O-N 3.07Å; N10-S12 PolarHBondContact O-N 3.19Å; N10-S12 WeakPolarHBondContact OD1-CB 3.33Å; N10-S12 PolarHBondContact OD1-N 3.37Å; N10-S12 PolarHBondContact OD1-OG 3.29Å |
| 11 | R | 46.2 | Very low | 47.6 | Very low | 224 Ų | 224 | 149.7 Ų | 149.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -79.7 | 53.2 | 176.4 | -153.7 | 178 | -171.7 | -168.2 | 2.1 | 108.4 | P9 T13 | P9-R11 PolarHBondContact O-N 2.95Å; R11-T13 PolarHBondContact O-N 3.49Å; R11-T13 VanDerWaalsContact O-N 3.09Å |
| 12 | S | 47.8 | Very low | 48.2 | Very low | 85 Ų | 85 | 147.4 Ų | 147.4 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | | | trans | -79.9 | 46.9 | 163.5 | 69.4 | 0 | 0 | 0 | 0 | 109.7 | N10 | N10-S12 PolarHBondContact O-N 3.19Å; N10-S12 WeakPolarHBondContact OD1-CB 3.33Å; N10-S12 PolarHBondContact OD1-N 3.37Å; N10-S12 PolarHBondContact OD1-OG 3.29Å |
| 13 | T | 46.8 | Very low | 48.4 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 53% | 0.534 | 76% | 0.764 | S | S | . | * | | | trans | -112.7 | 67.3 | 167.2 | 63.1 | 0 | 0 | 0 | 0 | 106.6 | R11 Q15 | R11-T13 PolarHBondContact O-N 3.49Å; R11-T13 VanDerWaalsContact O-N 3.09Å; T13-Q15 PolarHBondContact O-N 3.18Å |
| 14 | N | 46.8 | Very low | 48.8 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | -65.2 | 70.2 | 147.7 | -69.2 | -38.9 | 0 | 0 | 0 | 106.1 | C16 | N14-C16 PolarHBondContact O-N 3.05Š|
| 15 | Q | 46.1 | Very low | 48.4 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -69.3 | 82.2 | 158.2 | -64.9 | -127.2 | 3.8 | 0 | 0 | 103.7 | T13 S17 | T13-Q15 PolarHBondContact O-N 3.18Å; Q15-S17 PolarHBondContact O-N 3.27Å |
| 16 | C | 47.8 | Very low | 48.2 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | | | trans | -62.2 | 97.5 | 164.3 | -67.2 | 0 | 0 | 0 | 0 | 104.6 | N14 S18 | N14-C16 PolarHBondContact O-N 3.05Å; C16-S18 VanDerWaalsContact C-N 3.32Å; C16-S18 PolarHBondContact O-N 3.05Å |
| 17 | S | 47.9 | Very low | 48.3 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -52.9 | 104 | 166.6 | -51.4 | 0 | 0 | 0 | 0 | 106.2 | Q15 W19 | Q15-S17 PolarHBondContact O-N 3.27Å; S17-W19 PolarHBondContact O-N 3.07Å; S17-W19 VanDerWaalsContact O-N 3.11Å |
| 18 | S | 52.2 | Low | 48.4 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | -61.2 | 118.8 | 175.8 | 47.3 | 0 | 0 | 0 | 0 | 106.9 | C16 | C16-S18 VanDerWaalsContact C-N 3.32Å; C16-S18 PolarHBondContact O-N 3.05Å |
| 19 | W | 50.8 | Low | 48.4 | Very low | 239 Ų | 239 | 138.6 Ų | 138.6 | 91% | 0.905 | 76% | 0.758 | S | S | * | * | | | trans | -56.9 | 137.5 | 169.2 | -84.7 | 42.3 | 0 | 0 | 0 | 108.4 | S17 S21 | S17-W19 PolarHBondContact O-N 3.07Å; S17-W19 VanDerWaalsContact O-N 3.11Å; W19-S21 PolarHBondContact O-N 3.22Å |
| 20 | P | 51.2 | Low | 48.7 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | | | trans | -58.6 | 116 | 173.6 | 21.8 | -28.6 | 0 | 0 | 0 | 108.4 | F22 | P20-F22 HydrophobicContact CG-CE2 4.38Å; P20-F22 WeakPolarHBondContact O-CD2 3.34Å; P20-F22 PolarHBondContact O-N 3.46Å |
| 21 | S | 51.5 | Low | 48.4 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -69.5 | 103.9 | 174.3 | -180 | 0 | 0 | 0 | 0 | 107.7 | W19 R23 | W19-S21 PolarHBondContact O-N 3.22Å; S21-R23 PolarHBondContact O-N 3.38Å; S21-R23 VanDerWaalsContact O-N 3.16Å |
| 22 | F | 54 | Low | 48.4 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 82% | 0.82 | 76% | 0.762 | S | S | * | * | | | trans | -66.8 | 111.1 | 167.6 | -72 | -88.8 | 0 | 0 | 0 | 107.6 | P20 A24 | P20-F22 HydrophobicContact CG-CE2 4.38Å; P20-F22 WeakPolarHBondContact O-CD2 3.34Å; P20-F22 PolarHBondContact O-N 3.46Å; F22-A24 PolarHBondContact O-N 3Å; F22-A24 VanDerWaalsContact O-N 3.08Å |
| 23 | R | 50.1 | Low | 48.2 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -59.1 | 111.8 | 164.2 | -74.9 | -88.5 | -143.5 | 173.4 | 6.1 | 106.8 | S21 S25 | S21-R23 PolarHBondContact O-N 3.38Å; S21-R23 VanDerWaalsContact O-N 3.16Å; R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 3.48Å |
| 24 | A | 51.5 | Low | 47.7 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -65.3 | 99.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | F22 N26 | F22-A24 PolarHBondContact O-N 3Å; F22-A24 VanDerWaalsContact O-N 3.08Å; A24-N26 VanDerWaalsContact C-N 3.3Å; A24-N26 PolarHBondContact O-N 3.2Å |
| 25 | S | 42 | Very low | 47.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -64.9 | 99.1 | 164.4 | -67.2 | 0 | 0 | 0 | 0 | 106.4 | R23 I27 | R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 3.48Å; S25-I27 VanDerWaalsContact C-N 3.3Å; S25-I27 PolarHBondContact O-N 3.16Å |
| 26 | N | 48.4 | Very low | 47.4 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | -61.7 | 101.6 | 165.4 | -77 | -25.2 | 0 | 0 | 0 | 106.6 | A24 S28 | A24-N26 VanDerWaalsContact C-N 3.3Å; A24-N26 PolarHBondContact O-N 3.2Å; N26-S28 PolarHBondContact O-N 2.95Å |
| 27 | I | 49.9 | Very low | 46.9 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | | | trans | -47.1 | 108.1 | 159.2 | 42.2 | 171 | 0 | 0 | 0 | 107.1 | S25 D29 | S25-I27 VanDerWaalsContact C-N 3.3Å; S25-I27 PolarHBondContact O-N 3.16Å; I27-D29 PolarHBondContact O-N 3.4Å |
| 28 | S | 49.6 | Very low | 46.5 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -62.9 | 125.6 | 170.7 | -61.3 | 0 | 0 | 0 | 0 | 107.5 | N26 A30 | N26-S28 PolarHBondContact O-N 2.95Å; S28-A30 PolarHBondContact O-N 2.94Å |
| 29 | D | 45.9 | Very low | 46 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -51.8 | 108.6 | 171.9 | -73.1 | -47.3 | 0 | 0 | 0 | 108.5 | I27 T31 | I27-D29 PolarHBondContact O-N 3.4Å; D29-T31 VanDerWaalsContact C-N 3.34Å; D29-T31 PolarHBondContact O-N 3.41Å |
| 30 | A | 48.5 | Very low | 45.3 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -64.8 | 99.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107 | S28 S32 | S28-A30 PolarHBondContact O-N 2.94Å; A30-S32 PolarHBondContact O-N 3.34Å |
| 31 | T | 42.2 | Very low | 44.9 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -54.2 | 114.7 | 166.6 | 41 | 0 | 0 | 0 | 0 | 108 | D29 E33 | D29-T31 VanDerWaalsContact C-N 3.34Å; D29-T31 PolarHBondContact O-N 3.41Å; T31-E33 VanDerWaalsContact C-N 3.32Å; T31-E33 PolarHBondContact O-N 3.36Å |
| 32 | S | 45.7 | Very low | 44.2 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -58.9 | 87.1 | 176.2 | 162.3 | 0 | 0 | 0 | 0 | 110.5 | A30 | A30-S32 PolarHBondContact O-N 3.34Š|
| 33 | E | 43.1 | Very low | 44 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -78 | 131.5 | 162.6 | -66.8 | -162 | 162.5 | 0 | 0 | 109.6 | T31 | T31-E33 VanDerWaalsContact C-N 3.32Å; T31-E33 PolarHBondContact O-N 3.36Å |
| 34 | K | 37.6 | Very low | 43.7 | Very low | 195 Ų | 195 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -53.5 | 138.3 | -175.4 | -90.7 | 170.8 | 172.1 | 169.5 | 0 | 111.7 | G36 | K34-G36 PolarHBondContact O-N 3.03Å; K34-G36 VanDerWaalsContact O-N 3.1Å |
| 35 | P | 47.6 | Very low | 43.3 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -65.4 | 112.9 | 177.1 | 24.5 | -31 | 0 | 0 | 0 | 110.7 | A37 | P35-A37 PolarHBondContact O-N 3.09Š|
| 36 | G | 39 | Very low | 43.3 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | | | trans | -67.1 | 118.5 | 160 | 0 | 0 | 0 | 0 | 0 | 108.8 | K34 S38 | K34-G36 PolarHBondContact O-N 3.03Å; K34-G36 VanDerWaalsContact O-N 3.1Å; G36-S38 PolarHBondContact O-N 3.08Å; G36-S38 VanDerWaalsContact O-N 3.13Å |
| 37 | A | 36.5 | Very low | 43.4 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -68 | 104.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P35 | P35-A37 PolarHBondContact O-N 3.09Š|
| 38 | S | 40.5 | Very low | 43.2 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -156.2 | 121.5 | 163 | 25.6 | 0 | 0 | 0 | 0 | 113 | G36 | G36-S38 PolarHBondContact O-N 3.08Å; G36-S38 VanDerWaalsContact O-N 3.13Å |
| 39 | A | 39.9 | Very low | 43.1 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | trans | 53.6 | 92.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | R41 | A39-R41 PolarHBondContact O-N 3.42Š|
| 40 | S | 37.6 | Very low | 43.5 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -16.2 | 112 | 145.6 | -161 | 0 | 0 | 0 | 0 | 115.4 | | |
| 41 | R | 41.3 | Very low | 43.7 | Very low | 243 Ų | 243 | 132.7 Ų | 132.7 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -132.9 | 99.4 | 150.3 | -81.7 | -173.3 | 162.3 | 176 | -4.9 | 107.7 | A39 S43 | A39-R41 PolarHBondContact O-N 3.42Å; R41-S43 PolarHBondContact O-N 3.02Å |
| 42 | S | 37.4 | Very low | 44.1 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -64.4 | 121.8 | 163.6 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 43 | S | 50.3 | Low | 44.4 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | trans | -142.8 | 116.6 | 149.7 | 58.3 | 0 | 0 | 0 | 0 | 107.5 | R41 | R41-S43 PolarHBondContact O-N 3.02Š|
| 44 | A | 43.5 | Very low | 44.6 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -57.2 | 135.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | E46 | A44-E46 PolarHBondContact O-N 3.05Š|
| 45 | I | 43.9 | Very low | 45.5 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | trans | -85 | 96.4 | 172.6 | -55.7 | 166.4 | 0 | 0 | 0 | 106.1 | A47 | I45-A47 PolarHBondContact O-N 2.8Š|
| 46 | E | 42.1 | Very low | 45.4 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -77.7 | 92.3 | 163.1 | -94.5 | 178.4 | 160.3 | 0 | 0 | 108 | A44 D48 | A44-E46 PolarHBondContact O-N 3.05Å; E46-D48 VanDerWaalsContact C-N 3.26Å; E46-D48 PolarHBondContact O-N 2.78Å |
| 47 | A | 50.3 | Low | 45.8 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 63% | 0.628 | 82% | 0.816 | S | S | * | * | | | trans | -77.9 | 78.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | I45 S49 | I45-A47 PolarHBondContact O-N 2.8Å; A47-S49 PolarHBondContact O-N 2.83Å; A47-S49 PolarHBondContact O-OG 2.8Å |
| 48 | D | 45.1 | Very low | 46 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | -68.8 | 101.3 | 175.5 | -158.6 | 6 | 0 | 0 | 0 | 109.5 | E46 K50 | E46-D48 VanDerWaalsContact C-N 3.26Å; E46-D48 PolarHBondContact O-N 2.78Å; D48-K50 PolarHBondContact O-N 3.3Å |
| 49 | S | 47.9 | Very low | 46.1 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -84.2 | 98.4 | -171.9 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | A47 | A47-S49 PolarHBondContact O-N 2.83Å; A47-S49 PolarHBondContact O-OG 2.8Å |
| 50 | K | 53.6 | Low | 46.4 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 128.1 | 170.9 | -75.4 | -169.6 | 179.6 | -178.7 | 0 | 111.4 | D48 | D48-K50 PolarHBondContact O-N 3.3Š|
| 51 | P | 53.9 | Low | 46.6 | Very low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 144.2 | -179.3 | 27.9 | -32.7 | 0 | 0 | 0 | 112.8 | S53 | P51-S53 PolarHBondContact O-N 3Š|
| 52 | F | 48.9 | Very low | 46.8 | Very low | 213 Ų | 213 | 141.5 Ų | 141.5 | 93% | 0.934 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.6 | 173.7 | -83.9 | -98.8 | 0 | 0 | 0 | 111.4 | R54 | F52-R54 PolarHBondContact O-N 3.05Š|
| 53 | S | 52.7 | Low | 47 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 116.6 | 168.1 | -75.3 | 0 | 0 | 0 | 0 | 110.1 | P51 I55 | P51-S53 PolarHBondContact O-N 3Å; S53-I55 PolarHBondContact O-N 3.14Å |
| 54 | R | 47 | Very low | 46.8 | Very low | 238 Ų | 238 | 145.6 Ų | 145.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 128.3 | 168.7 | -99 | -177.5 | -179.6 | -167.8 | -0.1 | 109.9 | F52 S56 | F52-R54 PolarHBondContact O-N 3.05Å; R54-S56 PolarHBondContact O-N 2.99Å |
| 55 | I | 57.1 | Low | 47.2 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 122.2 | 160.4 | 18.7 | 171.3 | 0 | 0 | 0 | 108.9 | S53 D57 | S53-I55 PolarHBondContact O-N 3.14Å; I55-D57 PolarHBondContact O-N 2.91Å |
| 56 | S | 45.5 | Very low | 47.8 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -77.8 | 111.6 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 109.5 | R54 S58 | R54-S56 PolarHBondContact O-N 2.99Å; S56-S58 VanDerWaalsContact C-N 3.33Å; S56-S58 PolarHBondContact O-N 3.18Å |
| 57 | D | 46 | Very low | 48.2 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | trans | -68.3 | 88.6 | 168.6 | -66 | -42.7 | 0 | 0 | 0 | 109.2 | I55 S59 | I55-D57 PolarHBondContact O-N 2.91Å; D57-S59 PolarHBondContact O-N 3.06Å |
| 58 | S | 42.6 | Very low | 48.2 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -84.8 | 98.6 | 171.3 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | S56 S60 | S56-S58 VanDerWaalsContact C-N 3.33Å; S56-S58 PolarHBondContact O-N 3.18Å; S58-S60 PolarHBondContact O-N 3.31Å |
| 59 | S | 41.4 | Very low | 48.2 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -69.4 | 112.8 | 167.1 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | D57 | D57-S59 PolarHBondContact O-N 3.06Š|
| 60 | S | 45.5 | Very low | 47.9 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -120.1 | 96.4 | 161 | 68.1 | 0 | 0 | 0 | 0 | 109.1 | S58 N62 | S58-S60 PolarHBondContact O-N 3.31Å; S60-N62 PolarHBondContact O-N 2.81Å; S60-N62 VanDerWaalsContact O-N 3.14Å |
| 61 | E | 41.7 | Very low | 47.6 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -56.9 | 107.9 | 166.4 | -66.9 | 168.4 | 136.4 | 0 | 0 | 109.2 | | |
| 62 | N | 46.1 | Very low | 46.8 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -103.9 | 90.1 | 171 | -162 | 4.8 | 0 | 0 | 0 | 110.6 | S60 | S60-N62 PolarHBondContact O-N 2.81Å; S60-N62 VanDerWaalsContact O-N 3.14Å |
| 63 | R | 42.7 | Very low | 46.3 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 70% | 0.698 | 78% | 0.777 | S | S | * | * | | | trans | 44.7 | 102.8 | 145.3 | -74.5 | 176.6 | 163.8 | 167.3 | -2 | 118.9 | R65 | R63-R65 PolarHBondContact O-N 2.8Š|
| 64 | V | 45.1 | Very low | 46 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -54.7 | 117.5 | 144.4 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | I66 | V64-I66 HydrophobicContact CG1-CD1 3.98Å; V64-I66 HydrophobicContact CG1-CG1 3.84Å |
| 65 | R | 51.7 | Low | 45.9 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 70% | 0.698 | 78% | 0.778 | S | S | * | * | | | trans | -131.6 | 78.5 | 155.4 | -71.8 | -172 | -173.7 | 166.2 | 0.7 | 107.9 | R63 N67 | R63-R65 PolarHBondContact O-N 2.8Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 PolarHBondContact O-N 2.84Å |
| 66 | I | 56.6 | Low | 45.7 | Very low | 133 Ų | 133 | 147 Ų | 147 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -80.1 | 92.7 | 165.6 | -47.2 | 166 | 0 | 0 | 0 | 104.6 | V64 L68 | V64-I66 HydrophobicContact CG1-CD1 3.98Å; V64-I66 HydrophobicContact CG1-CG1 3.84Å; I66-L68 HydrophobicContact CG2-CD2 4.44Å; I66-L68 HydrophobicContact CG2-CG 4.29Å; I66-L68 PolarHBondContact O-N 2.99Å |
| 67 | N | 51.1 | Low | 45.9 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -70.1 | 96.5 | 173.1 | -75.1 | -16.2 | 0 | 0 | 0 | 107.8 | R65 S69 | R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 PolarHBondContact O-N 2.84Å; N67-S69 PolarHBondContact O-N 3.16Å; N67-S69 VanDerWaalsContact O-N 3.16Å |
| 68 | L | 49.3 | Very low | 46.3 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -82.6 | 67.6 | 166.5 | -68.4 | 168 | 0 | 0 | 0 | 108.2 | I66 E70 | I66-L68 HydrophobicContact CG2-CD2 4.44Å; I66-L68 HydrophobicContact CG2-CG 4.29Å; I66-L68 PolarHBondContact O-N 2.99Å; L68-E70 PolarHBondContact O-N 2.8Å |
| 69 | S | 46.3 | Very low | 46.3 | Very low | 89 Ų | 89 | 148.9 Ų | 148.9 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | | | trans | -88.7 | 103.9 | 172.4 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | N67 | N67-S69 PolarHBondContact O-N 3.16Å; N67-S69 VanDerWaalsContact O-N 3.16Å |
| 70 | E | 40.9 | Very low | 46.4 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | 45.8 | 90.3 | 137.5 | -61.6 | 168.8 | -160 | 0 | 0 | 116.5 | L68 | L68-E70 PolarHBondContact O-N 2.8Š|
| 71 | F | 47.5 | Very low | 46.8 | Very low | 214 Ų | 214 | 149.5 Ų | 149.5 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | -113.9 | 78.3 | 145.4 | -105 | -85.8 | 0 | 0 | 0 | 108 | | |
| 72 | E | 37.2 | Very low | 47.5 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -90.1 | 119.2 | 163 | -164.7 | 166.4 | -163.9 | 0 | 0 | 107.4 | | |
| 73 | G | 39 | Very low | 47.9 | Very low | 44 Ų | 44 | 148.3 Ų | 148.3 | 45% | 0.454 | 78% | 0.782 | S | S | . | * | | | trans | 128.2 | 120 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 74 | H | 45.5 | Very low | 48.1 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | cis | -149.7 | 135.9 | 23.5 | -67.7 | -86.8 | 0 | 0 | 0 | 109.3 | S76 | H74-S76 PolarHBondContact O-N 3.37Š|
| 75 | K | 45.6 | Very low | 48.3 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | -71.2 | 99.6 | 158.2 | -74.1 | 179.9 | 175.6 | 179.6 | 0 | 107.5 | | |
| 76 | S | 53.4 | Low | 48.3 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -98.3 | 98.9 | 160.4 | 54.9 | 0 | 0 | 0 | 0 | 108.2 | H74 E78 | H74-S76 PolarHBondContact O-N 3.37Å; S76-E78 PolarHBondContact O-N 2.86Å |
| 77 | S | 49.1 | Very low | 48 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -71.3 | 113.4 | 158.3 | 50.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 78 | E | 53.1 | Low | 47.9 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | -118.3 | 115.8 | 161.6 | -166.7 | 167 | -170.4 | 0 | 0 | 108.4 | S76 | S76-E78 PolarHBondContact O-N 2.86Š|
| 79 | C | 42.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -78.9 | 148.3 | 179.3 | -80.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 80 | A | 44.8 | Very low | 48.3 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | | | trans | 72.2 | 116.9 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 81 | T | 54.4 | Low | 48.5 | Very low | 140 Ų | 140 | 150 Ų | 150 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | | -155.9 | 107.7 | 116.9 | 18.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 82 | K | 54.5 | Low | 48.4 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -73.9 | 130.9 | 163.3 | -77.1 | -176.1 | 178.6 | 179.4 | 0 | 107.3 | T84 | K82-T84 PolarHBondContact O-N 2.82Š|
| 83 | P | 56.4 | Low | 48.9 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -67.6 | 105 | 173.9 | 26.1 | -31 | 0 | 0 | 0 | 108.9 | | |
| 84 | T | 46.1 | Very low | 49.2 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -104.1 | 89.7 | 167.5 | -53 | 0 | 0 | 0 | 0 | 107.3 | K82 | K82-T84 PolarHBondContact O-N 2.82Š|
| 85 | S | 50 | Low | 49.4 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -141 | 108.5 | 155 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | E87 | S85-E87 PolarHBondContact O-N 2.76Å; S85-E87 VanDerWaalsContact O-N 3.17Å |
| 86 | K | 51.6 | Low | 49.3 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -73.7 | 92.8 | 163.7 | -65.4 | -173.8 | 178.4 | -176.6 | 0 | 106.6 | L88 | K86-L88 PolarHBondContact O-N 2.86Š|
| 87 | E | 49.8 | Very low | 49.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | -86.2 | 97 | 165.9 | -153 | 170.3 | -173.6 | 0 | 0 | 107.7 | S85 L89 | S85-E87 PolarHBondContact O-N 2.76Å; S85-E87 VanDerWaalsContact O-N 3.17Å; E87-L89 PolarHBondContact O-N 3.19Å; E87-L89 VanDerWaalsContact O-N 3.12Å |
| 88 | L | 48.5 | Very low | 49.4 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -61.7 | 106.1 | 172 | -77.6 | 153.5 | 0 | 0 | 0 | 108 | K86 | K86-L88 PolarHBondContact O-N 2.86Š|
| 89 | L | 54.6 | Low | 49.3 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -60.5 | 128.4 | 169.7 | -73.2 | 169 | 0 | 0 | 0 | 109.2 | E87 K91 | E87-L89 PolarHBondContact O-N 3.19Å; E87-L89 VanDerWaalsContact O-N 3.12Å; L89-K91 PolarHBondContact O-N 2.95Å |
| 90 | P | 49.9 | Very low | 49.7 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | -64 | 125.2 | 175.5 | 23.1 | -29.9 | 0 | 0 | 0 | 110 | C92 | P90-C92 PolarHBondContact O-N 3.43Å; P90-C92 VanDerWaalsContact O-N 3.07Å |
| 91 | K | 44.9 | Very low | 49.7 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -72.9 | 94.2 | 176.4 | -160.4 | 171.9 | -174.1 | 179.7 | 0 | 108 | L89 Q93 | L89-K91 PolarHBondContact O-N 2.95Å; K91-Q93 PolarHBondContact O-N 3.32Å |
| 92 | C | 44.5 | Very low | 49.5 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -70 | 91.8 | 173.8 | -66.7 | 0 | 0 | 0 | 0 | 109.8 | P90 N94 | P90-C92 PolarHBondContact O-N 3.43Å; P90-C92 VanDerWaalsContact O-N 3.07Å; C92-N94 PolarHBondContact O-N 2.75Å |
| 93 | Q | 47.3 | Very low | 49.2 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | -76.1 | 91.4 | 162.6 | -69.9 | 178 | -55.1 | 0 | 0 | 107.6 | K91 E95 | K91-Q93 PolarHBondContact O-N 3.32Å; Q93-E95 PolarHBondContact O-N 3.03Å |
| 94 | N | 46.3 | Very low | 48.9 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -92.4 | 84.5 | 171 | -141.5 | -18.4 | 0 | 0 | 0 | 107.5 | C92 Q96 | C92-N94 PolarHBondContact O-N 2.75Å; N94-Q96 VanDerWaalsContact C-N 3.29Å; N94-Q96 PolarHBondContact O-N 3.43Å |
| 95 | E | 49.5 | Very low | 48.8 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -72.7 | 85.9 | 168.4 | -63.7 | -159.7 | 161.6 | 0 | 0 | 108.5 | Q93 I97 | Q93-E95 PolarHBondContact O-N 3.03Å; E95-I97 PolarHBondContact O-N 2.83Å |
| 96 | Q | 42.8 | Very low | 48.6 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -83.7 | 97.8 | 164.3 | -90.4 | -171.2 | -26.6 | 0 | 0 | 109.1 | N94 L98 | N94-Q96 VanDerWaalsContact C-N 3.29Å; N94-Q96 PolarHBondContact O-N 3.43Å; Q96-L98 PolarHBondContact O-N 2.71Å |
| 97 | I | 51.5 | Low | 48 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | | | trans | -59.5 | 114.7 | 167.9 | -61.6 | 166.1 | 0 | 0 | 0 | 107.8 | E95 S99 | E95-I97 PolarHBondContact O-N 2.83Å; I97-S99 PolarHBondContact O-N 3.39Å |
| 98 | L | 54.9 | Low | 47.8 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | trans | -71.3 | 94.8 | 171.4 | -74.2 | 163 | 0 | 0 | 0 | 108.4 | Q96 S100 | Q96-L98 PolarHBondContact O-N 2.71Å; L98-S100 PolarHBondContact O-N 3.09Å; L98-S100 VanDerWaalsContact O-N 3.07Å |
| 99 | S | 51.1 | Low | 47.4 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -66.5 | 104.4 | 169.4 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | I97 Q101 | I97-S99 PolarHBondContact O-N 3.39Å; S99-Q101 PolarHBondContact O-N 2.81Å |
| 100 | S | 49.4 | Very low | 46.8 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -61.7 | 107.4 | 166.2 | 37.6 | 0 | 0 | 0 | 0 | 109.9 | L98 | L98-S100 PolarHBondContact O-N 3.09Å; L98-S100 VanDerWaalsContact O-N 3.07Å |
| 101 | Q | 45.9 | Very low | 46.4 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 129 | 173.4 | -144.8 | 178 | 16.6 | 0 | 0 | 109.9 | S99 | S99-Q101 PolarHBondContact O-N 2.81Š|
| 102 | S | 49.8 | Very low | 46.3 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 153.1 | -168.3 | 38 | 0 | 0 | 0 | 0 | 117.7 | | |
| 103 | E | 48.3 | Very low | 46 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140 | 173 | -72.5 | 176.9 | 138.4 | 0 | 0 | 113.5 | T105 | E103-T105 PolarHBondContact O-N 3.45Š|
| 104 | P | 50.7 | Low | 45.6 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -88 | 100.8 | 166.9 | 31.2 | -27 | 0 | 0 | 0 | 110.7 | H106 | P104-H106 PolarHBondContact O-N 2.89Š|
| 105 | T | 43.2 | Very low | 45.2 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -75.6 | 107.5 | 162.7 | -38.7 | 0 | 0 | 0 | 0 | 108.3 | E103 | E103-T105 PolarHBondContact O-N 3.45Š|
| 106 | H | 45.2 | Very low | 45.1 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -134.1 | 93.3 | 164.3 | -113.9 | -61.3 | 0 | 0 | 0 | 110 | P104 | P104-H106 PolarHBondContact O-N 2.89Š|
| 107 | N | 39.1 | Very low | 45.3 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | trans | -66.6 | 136.2 | 150.3 | -90 | -39 | 0 | 0 | 0 | 108.1 | | |
| 108 | D | 46.6 | Very low | 45.1 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | | 171.6 | 125.4 | 113.3 | -82.6 | -29.3 | 0 | 0 | 0 | 109.7 | | |
| 109 | Q | 38.9 | Very low | 44.4 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -66.5 | 128.1 | 167.9 | -61 | -169.5 | -18.5 | 0 | 0 | 108.7 | | |
| 110 | N | 43.2 | Very low | 44.4 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -150.3 | 117.7 | 151.9 | -102.5 | -8.6 | 0 | 0 | 0 | 110.5 | | |
| 111 | S | 40.4 | Very low | 44.5 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -62 | 139.9 | 164.9 | 42.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 112 | T | 44.1 | Very low | 44.4 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | 176.9 | 124.2 | 134.7 | -71.6 | 0 | 0 | 0 | 0 | 110 | G114 | T112-G114 PolarHBondContact O-N 3.4Å; T112-G114 VanDerWaalsContact O-N 3.16Å |
| 113 | P | 38.3 | Very low | 44.4 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | trans | -82.3 | 87 | 174 | 32.5 | -30.3 | 0 | 0 | 0 | 110.2 | | |
| 114 | G | 39 | Very low | 44.7 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | -98 | 100.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | T112 A116 | T112-G114 PolarHBondContact O-N 3.4Å; T112-G114 VanDerWaalsContact O-N 3.16Å; G114-A116 PolarHBondContact O-N 3.26Å |
| 115 | N | 37.5 | Very low | 44.9 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -59.6 | 110.7 | 163.9 | 176.1 | 6.5 | 0 | 0 | 0 | 109.8 | | |
| 116 | A | 47.1 | Very low | 45.3 | Very low | 76 Ų | 76 | 148.5 Ų | 148.5 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | | | trans | -148.5 | 108.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108 | G114 R118 | G114-A116 PolarHBondContact O-N 3.26Å; A116-R118 PolarHBondContact O-N 3.12Å |
| 117 | F | 47.4 | Very low | 45.5 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | | | trans | -53.9 | 80 | 158.1 | -77.9 | -98.6 | 0 | 0 | 0 | 109.3 | | |
| 118 | R | 46.7 | Very low | 46.1 | Very low | 224 Ų | 224 | 148.3 Ų | 148.3 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -109.5 | 97.9 | 166.4 | -97.2 | -172.5 | 175.8 | -142.8 | -0.4 | 107.9 | A116 K120 | A116-R118 PolarHBondContact O-N 3.12Å; R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 2.72Å |
| 119 | T | 41.4 | Very low | 46.3 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | | | trans | -47.1 | 87.4 | 160.4 | 40.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 120 | K | 50.6 | Low | 46.9 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -101.9 | 112.5 | 148.3 | -78.6 | -157.8 | 176 | -172.4 | 0 | 107.2 | R118 G122 | R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 2.72Å; K120-G122 PolarHBondContact O-N 2.92Å |
| 121 | K | 51.1 | Low | 47.2 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 90% | 0.9 | 76% | 0.761 | S | S | * | * | | | trans | -59.2 | 80.1 | 162 | -73.5 | -178.2 | 174.8 | -179.8 | 0 | 107.9 | | |
| 122 | G | 43.4 | Very low | 47.4 | Very low | 41 Ų | 41 | 142.7 Ų | 142.7 | 42% | 0.423 | 77% | 0.768 | S | S | . | * | | | trans | -83.8 | 110.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | K120 Y124 | K120-G122 PolarHBondContact O-N 2.92Å; G122-Y124 WeakPolarHBondContact O-CD2 3.33Å; G122-Y124 PolarHBondContact O-N 2.7Å |
| 123 | N | 51 | Low | 47.7 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -65 | 83.9 | 164.7 | -78.6 | 22.4 | 0 | 0 | 0 | 107.4 | F125 | N123-F125 VanDerWaalsContact C-N 3.25Å; N123-F125 HydrophobicContact CB-CE2 4.41Å; N123-F125 PolarHBondContact O-N 2.79Å |
| 124 | Y | 53.8 | Low | 48 | Very low | 216 Ų | 216 | 141.8 Ų | 141.8 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | -71.4 | 96.1 | 161.4 | -64.5 | -78 | 0 | 0 | 0 | 105.6 | G122 S126 | G122-Y124 WeakPolarHBondContact O-CD2 3.33Å; G122-Y124 PolarHBondContact O-N 2.7Å; Y124-S126 PolarHBondContact O-N 3.28Å |
| 125 | F | 55.7 | Low | 48.4 | Very low | 182 Ų | 182 | 148 Ų | 148 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | -54.5 | 100.3 | 156.7 | -72.8 | -85.4 | 0 | 0 | 0 | 105.9 | N123 A127 | N123-F125 VanDerWaalsContact C-N 3.25Å; N123-F125 HydrophobicContact CB-CE2 4.41Å; N123-F125 PolarHBondContact O-N 2.79Å; F125-A127 PolarHBondContact O-N 3.38Å |
| 126 | S | 51.5 | Low | 48.8 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -65.5 | 84.6 | 158.3 | -176.7 | 0 | 0 | 0 | 0 | 105.2 | Y124 R128 | Y124-S126 PolarHBondContact O-N 3.28Å; S126-R128 PolarHBondContact O-N 2.89Å |
| 127 | A | 49.4 | Very low | 49 | Very low | 87 Ų | 87 | 152.5 Ų | 152.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | | | trans | -65 | 81.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | F125 P129 | F125-A127 PolarHBondContact O-N 3.38Å; A127-P129 WeakPolarHBondContact O-CD 3.12Å; A127-P129 VanDerWaalsContact O-N 3.15Å |
| 128 | R | 51.1 | Low | 49.5 | Very low | 223 Ų | 223 | 152.6 Ų | 152.6 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | trans | -61.6 | 119.6 | 170 | -169.9 | 175.9 | -179.1 | -162.7 | -0.1 | 105.5 | S126 S130 | S126-R128 PolarHBondContact O-N 2.89Å; R128-S130 PolarHBondContact O-N 2.87Å |
| 129 | P | 50.1 | Low | 50 | Low | 111 Ų | 111 | 147.6 Ų | 147.6 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | trans | -57.3 | 131.7 | -172.9 | 18.4 | -29.4 | 0 | 0 | 0 | 109.5 | A127 A131 | A127-P129 WeakPolarHBondContact O-CD 3.12Å; A127-P129 VanDerWaalsContact O-N 3.15Å; P129-A131 PolarHBondContact O-N 3.17Å |
| 130 | S | 51.7 | Low | 51 | Low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | | | trans | -60.7 | 93.2 | 165.2 | 58.2 | 0 | 0 | 0 | 0 | 106.9 | R128 F132 | R128-S130 PolarHBondContact O-N 2.87Å; S130-F132 PolarHBondContact O-N 3.02Å |
| 131 | A | 50.3 | Low | 51.3 | Low | 80 Ų | 80 | 143.9 Ų | 143.9 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | | | trans | -66.7 | 91.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | P129 V133 | P129-A131 PolarHBondContact O-N 3.17Å; A131-V133 HydrophobicContact CB-CG2 3.8Å; A131-V133 PolarHBondContact O-N 3.19Å |
| 132 | F | 45.3 | Very low | 51.4 | Low | 202 Ų | 202 | 139.7 Ų | 139.7 | 89% | 0.886 | 74% | 0.735 | S | S | * | * | | | trans | -60.1 | 76.4 | 158.1 | -97.5 | -92.7 | 0 | 0 | 0 | 107 | S130 | S130-F132 PolarHBondContact O-N 3.02Š|
| 133 | V | 48.4 | Very low | 51.9 | Low | 110 Ų | 110 | 145.1 Ų | 145.1 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | | | trans | -113.6 | 97 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 106.9 | A131 | A131-V133 HydrophobicContact CB-CG2 3.8Å; A131-V133 PolarHBondContact O-N 3.19Å |
| 134 | N | 44.8 | Very low | 51.8 | Low | 131 Ų | 131 | 148 Ų | 148 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | 55.4 | 89.9 | 156.4 | -62.7 | -39.5 | 0 | 0 | 0 | 116.2 | T136 | N134-T136 PolarHBondContact O-N 2.83Š|
| 135 | Q | 47.2 | Very low | 51.7 | Low | 199 Ų | 199 | 145.4 Ų | 145.4 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | | | trans | -61.7 | 78.5 | 144.5 | -74.7 | -177.1 | 0.8 | 0 | 0 | 108.8 | R137 | Q135-R137 PolarHBondContact O-N 3.21Š|
| 136 | T | 47.6 | Very low | 51.1 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | -70.4 | 104.2 | 168.2 | -59.6 | 0 | 0 | 0 | 0 | 107.6 | N134 K138 | N134-T136 PolarHBondContact O-N 2.83Å; T136-K138 PolarHBondContact O-N 3.02Å |
| 137 | R | 50.3 | Low | 50.9 | Low | 198 Ų | 198 | 144.9 Ų | 144.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | | | trans | -45 | 102.8 | 173.9 | -69 | 163.8 | 50.7 | 146.1 | 0.6 | 111.6 | Q135 H139 | Q135-R137 PolarHBondContact O-N 3.21Å; R137-H139 PolarHBondContact NE-CD2 3.37Å; R137-H139 PolarHBondContact NE-NE2 3.11Å; R137-H139 PolarHBondContact NH2-CD2 3.28Å; R137-H139 PolarHBondContact NH2-NE2 2.85Å; R137-H139 PolarHBondContact O-N 3.38Å |
| 138 | K | 58.6 | Low | 51.1 | Low | 201 Ų | 201 | 151.6 Ų | 151.6 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | -90 | 90.2 | 155.8 | -65.2 | -137.3 | 179.9 | -173.6 | 0 | 107.7 | T136 | T136-K138 PolarHBondContact O-N 3.02Š|
| 139 | H | 56.1 | Low | 51.1 | Low | 119 Ų | 119 | 148.1 Ų | 148.1 | 55% | 0.551 | 75% | 0.746 | S | S | * | * | | | trans | -67.7 | 133.2 | 160.9 | -74.5 | -73.4 | 0 | 0 | 0 | 107.9 | R137 I141 | R137-H139 PolarHBondContact NE-CD2 3.37Å; R137-H139 PolarHBondContact NE-NE2 3.11Å; R137-H139 PolarHBondContact NH2-CD2 3.28Å; R137-H139 PolarHBondContact NH2-NE2 2.85Å; R137-H139 PolarHBondContact O-N 3.38Å; H139-I141 PolarHBondContact O-N 3.39Å |
| 140 | P | 62.4 | Low | 51.3 | Low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | trans | -62.4 | 127.1 | 170.9 | 24.4 | -30.3 | 0 | 0 | 0 | 109.2 | V142 | P140-V142 PolarHBondContact O-N 3.11Å; P140-V142 VanDerWaalsContact O-N 3.08Å |
| 141 | I | 58 | Low | 51.3 | Low | 152 Ų | 152 | 150.7 Ų | 150.7 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | trans | -68.2 | 102.2 | 170.8 | -61.6 | 166.1 | 0 | 0 | 0 | 106.2 | H139 Q143 | H139-I141 PolarHBondContact O-N 3.39Å; I141-Q143 HydrophobicContact CG2-CG 4.05Å; I141-Q143 PolarHBondContact O-N 2.71Å |
| 142 | V | 52.2 | Low | 51.4 | Low | 119 Ų | 119 | 150.8 Ų | 150.8 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | trans | -74.6 | 99.5 | 162.5 | -179.2 | 0 | 0 | 0 | 0 | 105.8 | P140 F144 | P140-V142 PolarHBondContact O-N 3.11Å; P140-V142 VanDerWaalsContact O-N 3.08Å; V142-F144 PolarHBondContact O-N 3.29Å; V142-F144 VanDerWaalsContact O-N 3.09Å |
| 143 | Q | 55.1 | Low | 51.6 | Low | 155 Ų | 155 | 148.6 Ų | 148.6 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | | | trans | -69.6 | 104.4 | 163.9 | -87.1 | -179 | -30.8 | 0 | 0 | 107.5 | I141 E145 | I141-Q143 HydrophobicContact CG2-CG 4.05Å; I141-Q143 PolarHBondContact O-N 2.71Å; Q143-E145 PolarHBondContact O-N 3.03Å |
| 144 | F | 48.1 | Very low | 51.8 | Low | 191 Ų | 191 | 151.2 Ų | 151.2 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -76.5 | 77.6 | 171.4 | -147.3 | -91.1 | 0 | 0 | 0 | 107.2 | V142 G146 | V142-F144 PolarHBondContact O-N 3.29Å; V142-F144 VanDerWaalsContact O-N 3.09Å; F144-G146 VanDerWaalsContact C-N 3.3Å; F144-G146 PolarHBondContact O-N 3.31Å |
| 145 | E | 51.3 | Low | 52.1 | Low | 162 Ų | 162 | 151.9 Ų | 151.9 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | -79.7 | 91.8 | 170.8 | -69.6 | -155.4 | 154.4 | 0 | 0 | 108.5 | Q143 | Q143-E145 PolarHBondContact O-N 3.03Š|
| 146 | G | 44.6 | Very low | 52.3 | Low | 46 Ų | 46 | 149.9 Ų | 149.9 | 47% | 0.474 | 76% | 0.755 | S | S | . | * | | | trans | -51.7 | 146.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F144 R148 | F144-G146 VanDerWaalsContact C-N 3.3Å; F144-G146 PolarHBondContact O-N 3.31Å; G146-R148 PolarHBondContact O-N 3.02Å |
| 147 | R | 46.7 | Very low | 52.6 | Low | 236 Ų | 236 | 154 Ų | 154 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | | | trans | -41.4 | 105 | 167.7 | -59.1 | -173.2 | -178.3 | -173.3 | 0.2 | 109.9 | | |
| 148 | R | 53.2 | Low | 52.4 | Low | 229 Ų | 229 | 151 Ų | 151 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -107.3 | 96 | 156.9 | -69 | -172.9 | -165.9 | 152.1 | 5.4 | 105.1 | G146 S150 | G146-R148 PolarHBondContact O-N 3.02Å; R148-S150 VanDerWaalsContact C-N 3.27Å; R148-S150 PolarHBondContact O-N 3.07Å |
| 149 | D | 50.8 | Low | 51.8 | Low | 149 Ų | 149 | 146.9 Ų | 146.9 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -65.4 | 93.7 | 164.8 | -52.9 | -35.5 | 0 | 0 | 0 | 106 | | |
| 150 | S | 54.3 | Low | 51.3 | Low | 109 Ų | 109 | 145.7 Ų | 145.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -147.5 | 85.9 | 166.4 | -158.1 | 0 | 0 | 0 | 0 | 107.7 | R148 | R148-S150 VanDerWaalsContact C-N 3.27Å; R148-S150 PolarHBondContact O-N 3.07Å |
| 151 | D | 53 | Low | 50.2 | Low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -51.2 | 141.3 | 170.1 | -63.6 | -51.9 | 0 | 0 | 0 | 110.9 | | |
| 152 | A | 51.7 | Low | 49.6 | Very low | 82 Ų | 82 | 145.7 Ų | 145.7 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | 67 | 79 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | M154 | A152-M154 PolarHBondContact O-N 3.1Š|
| 153 | N | 50 | Low | 49.5 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -85.2 | 86.9 | 144.8 | 179.3 | 15.8 | 0 | 0 | 0 | 108.8 | | |
| 154 | M | 51.1 | Low | 49.2 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -113.1 | 83 | 169.6 | -74.1 | -162.9 | -60.1 | 0 | 0 | 109.5 | A152 | A152-M154 PolarHBondContact O-N 3.1Š|
| 155 | Q | 52.8 | Low | 49.4 | Very low | 144 Ų | 144 | 144 Ų | 144 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | | | trans | -144.4 | 69.4 | 166.8 | -100.5 | 162.4 | 12.4 | 0 | 0 | 110 | Y157 | Q155-Y157 HydrophobicContact CB-CE2 4.47Å; Q155-Y157 HydrophobicContact CG-CE2 3.94Å |
| 156 | N | 50.1 | Low | 49.6 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | trans | -87.6 | 100.2 | 161.9 | -72.9 | -35.1 | 0 | 0 | 0 | 107.9 | T158 | N156-T158 PolarHBondContact O-N 2.96Š|
| 157 | Y | 54.6 | Low | 49.9 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -85.9 | 97.7 | 163.9 | -74 | -76.2 | 0 | 0 | 0 | 108.7 | Q155 S159 | Q155-Y157 HydrophobicContact CB-CE2 4.47Å; Q155-Y157 HydrophobicContact CG-CE2 3.94Å; Y157-S159 PolarHBondContact O-N 2.97Å |
| 158 | T | 46.2 | Very low | 50.2 | Low | 133 Ų | 133 | 145.9 Ų | 145.9 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -73.6 | 105.5 | 171.4 | -36.4 | 0 | 0 | 0 | 0 | 109 | N156 | N156-T158 PolarHBondContact O-N 2.96Š|
| 159 | S | 45 | Very low | 50 | Low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -144.2 | 76.3 | 169.5 | -65.2 | 0 | 0 | 0 | 0 | 110.1 | Y157 | Y157-S159 PolarHBondContact O-N 2.97Š|
| 160 | A | 47 | Very low | 50 | Low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | -148.6 | 79.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 161 | S | 39.2 | Very low | 49.8 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | trans | -57.8 | 153.2 | 150.7 | 53.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 162 | H | 45.4 | Very low | 49.7 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | trans | 97.1 | 84.5 | 176.6 | -45.8 | -50.5 | 0 | 0 | 0 | 114.9 | | |
| 163 | Q | 48.8 | Very low | 49.6 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | | -179.3 | 102.5 | 108.4 | -95.1 | 168.2 | -10.3 | 0 | 0 | 107.1 | D165 | Q163-D165 PolarHBondContact O-N 3.05Å; Q163-D165 VanDerWaalsContact O-N 3.1Å |
| 164 | V | 48.9 | Very low | 49.5 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | -78.9 | 82.6 | 168.3 | -167.8 | 0 | 0 | 0 | 0 | 104.2 | | |
| 165 | D | 52.8 | Low | 49.5 | Very low | 114 Ų | 114 | 146 Ų | 146 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | | | trans | -95.5 | 119.5 | 175.1 | -144.8 | -12.6 | 0 | 0 | 0 | 106.2 | Q163 Q167 | Q163-D165 PolarHBondContact O-N 3.05Å; Q163-D165 VanDerWaalsContact O-N 3.1Å; D165-Q167 PolarHBondContact O-N 2.98Å |
| 166 | D | 55 | Low | 49.2 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -66.4 | 37.7 | -168.3 | -69.7 | -47.3 | 0 | 0 | 0 | 114.4 | E168 | D166-E168 VanDerWaalsContact C-N 3.31Å; D166-E168 PolarHBondContact O-N 3.05Å |
| 167 | Q | 51.3 | Low | 49.1 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | -90.4 | 22.4 | -179.4 | -76.4 | -174.4 | 0.2 | 0 | 0 | 113.8 | D165 N169 | D165-Q167 PolarHBondContact O-N 2.98Å; Q167-N169 PolarHBondContact O-N 3.19Å |
| 168 | E | 52.3 | Low | 48.7 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 5.9 | -175.8 | -51.3 | -152.5 | 156.5 | 0 | 0 | 114.9 | D166 | D166-E168 VanDerWaalsContact C-N 3.31Å; D166-E168 PolarHBondContact O-N 3.05Å |
| 169 | N | 50.6 | Low | 48.9 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 26.1 | -173.2 | -160.7 | 38.7 | 0 | 0 | 0 | 116.9 | Q167 | Q167-N169 PolarHBondContact O-N 3.19Š|
| 170 | V | 49.7 | Very low | 49.2 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | trans | -107.3 | 70.9 | 164.6 | -164.9 | 0 | 0 | 0 | 0 | 109.5 | S172 | V170-S172 PolarHBondContact O-N 2.97Å; V170-S172 PolarHBondContact O-OG 3.08Å |
| 171 | F | 51.1 | Low | 49.3 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | trans | -57.4 | 85.4 | 162 | -106.8 | -81.1 | 0 | 0 | 0 | 109 | H173 | F171-H173 AromaticContact CD1-CD2 3.95Å; F171-H173 AromaticContact CD1-CE1 3.14Å; F171-H173 WeakPolarHBondContact CD1-CE1 3.32Å; F171-H173 AromaticContact CD1-ND1 3.63Å; F171-H173 AromaticContact CD1-NE2 3.34Å; F171-H173 VanDerWaalsContact CD1-NE2 3.34Å; F171-H173 WeakPolarHBondContact CD1-NE2 3.42Å; F171-H173 AromaticContact CE1-CE1 3.36Å; F171-H173 WeakPolarHBondContact CE1-CE1 3.3Å; F171-H173 AromaticContact CE1-NE2 3.73Å; F171-H173 PolarHBondContact O-N 3.16Å |
| 172 | S | 50.6 | Low | 49.8 | Very low | 101 Ų | 101 | 151.9 Ų | 151.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -77.3 | 76.9 | 173 | -58.1 | 0 | 0 | 0 | 0 | 108.2 | V170 E174 | V170-S172 PolarHBondContact O-N 2.97Å; V170-S172 PolarHBondContact O-OG 3.08Å; S172-E174 PolarHBondContact O-N 3.02Å |
| 173 | H | 49.2 | Very low | 49.7 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | | | trans | -75.4 | 54.6 | 177.7 | -83.4 | -34.6 | 0 | 0 | 0 | 112.6 | F171 | F171-H173 AromaticContact CD1-CD2 3.95Å; F171-H173 AromaticContact CD1-CE1 3.14Å; F171-H173 WeakPolarHBondContact CD1-CE1 3.32Å; F171-H173 AromaticContact CD1-ND1 3.63Å; F171-H173 AromaticContact CD1-NE2 3.34Å; F171-H173 VanDerWaalsContact CD1-NE2 3.34Å; F171-H173 WeakPolarHBondContact CD1-NE2 3.42Å; F171-H173 AromaticContact CE1-CE1 3.36Å; F171-H173 WeakPolarHBondContact CE1-CE1 3.3Å; F171-H173 AromaticContact CE1-NE2 3.73Å; F171-H173 PolarHBondContact O-N 3.16Å |
| 174 | E | 48.7 | Very low | 49.7 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | | | trans | -150.7 | 47.1 | -175 | -112.7 | 170.6 | -132.9 | 0 | 0 | 114.3 | S172 | S172-E174 PolarHBondContact O-N 3.02Š|
| 175 | R | 50.1 | Low | 49.8 | Very low | 218 Ų | 218 | 150.7 Ų | 150.7 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | | | trans | -136.3 | 89.9 | 148.8 | -70.3 | -163.9 | -65.4 | -140.4 | 0.7 | 109.2 | N177 | R175-N177 PolarHBondContact O-N 2.98Š|
| 176 | Y | 46.1 | Very low | 49.6 | Very low | 221 Ų | 221 | 148.9 Ų | 148.9 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | -54.8 | 71.7 | 151.2 | -73.5 | -91 | 0 | 0 | 0 | 108.7 | S178 | Y176-S178 VanDerWaalsContact C-N 3.33Å; Y176-S178 PolarHBondContact O-N 3.12Å |
| 177 | N | 49.5 | Very low | 49.3 | Very low | 128 Ų | 128 | 152 Ų | 152 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | | | trans | -82.7 | 93.4 | 178.4 | -131.7 | 58 | 0 | 0 | 0 | 106.5 | R175 F179 | R175-N177 PolarHBondContact O-N 2.98Å; N177-F179 PolarHBondContact O-N 2.92Å |
| 178 | S | 45.5 | Very low | 49.4 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | trans | -14.1 | 108.2 | 170.9 | -42.4 | 0 | 0 | 0 | 0 | 112.9 | Y176 S180 | Y176-S178 VanDerWaalsContact C-N 3.33Å; Y176-S178 PolarHBondContact O-N 3.12Å; S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 2.76Å |
| 179 | F | 51.2 | Low | 49.6 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -57.7 | 104.4 | 161.1 | -35.4 | -78.9 | 0 | 0 | 0 | 105.8 | N177 K181 | N177-F179 PolarHBondContact O-N 2.92Å; F179-K181 PolarHBondContact O-N 3.42Å |
| 180 | S | 51.3 | Low | 50 | Low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -62.1 | 96.8 | 169.3 | -72.5 | 0 | 0 | 0 | 0 | 105.4 | S178 S182 | S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 2.76Å; S180-S182 PolarHBondContact O-N 2.72Å |
| 181 | K | 47.8 | Very low | 50 | Low | 212 Ų | 212 | 157.5 Ų | 157.5 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | | | trans | -68.1 | 71.2 | 177.4 | -168 | 174.8 | -176.5 | 177 | 0 | 107.9 | F179 G183 | F179-K181 PolarHBondContact O-N 3.42Å; K181-G183 PolarHBondContact O-N 3.1Å |
| 182 | S | 49 | Very low | 50.1 | Low | 99 Ų | 99 | 153 Ų | 153 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -70.7 | 85.2 | 165.5 | 53.2 | 0 | 0 | 0 | 0 | 107.1 | S180 I184 | S180-S182 PolarHBondContact O-N 2.72Å; S182-I184 VanDerWaalsContact C-N 3.25Å; S182-I184 PolarHBondContact O-N 2.91Å |
| 183 | G | 43.2 | Very low | 50 | Low | 65 Ų | 65 | 154.7 Ų | 154.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | | | trans | 54.6 | 7.9 | 131.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | K181 R185 | K181-G183 PolarHBondContact O-N 3.1Å; G183-R185 PolarHBondContact O-N 3.35Å |
| 184 | I | 50.2 | Low | 50.2 | Low | 145 Ų | 145 | 154.1 Ų | 154.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -75.8 | 84.2 | 173 | 45 | 166.7 | 0 | 0 | 0 | 110 | S182 G186 | S182-I184 VanDerWaalsContact C-N 3.25Å; S182-I184 PolarHBondContact O-N 2.91Å; I184-G186 PolarHBondContact O-N 2.97Å; I184-G186 VanDerWaalsContact O-N 3.12Å |
| 185 | R | 51.2 | Low | 50.4 | Low | 249 Ų | 249 | 150.5 Ų | 150.5 | 94% | 0.94 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.6 | 113.5 | 156.6 | -78.2 | 171.5 | 172.5 | 165.5 | -2.6 | 108.8 | G183 | G183-R185 PolarHBondContact O-N 3.35Š|
| 186 | G | 47.5 | Very low | 50.5 | Low | 77 Ų | 77 | 145 Ų | 145 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.3 | 39.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | I184 D188 | I184-G186 PolarHBondContact O-N 2.97Å; I184-G186 VanDerWaalsContact O-N 3.12Å; G186-D188 PolarHBondContact O-N 3.01Å |
| 187 | R | 49.7 | Very low | 50.7 | Low | 215 Ų | 215 | 142.2 Ų | 142.2 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | -79.1 | 103 | 152.9 | -91.2 | -172.1 | 176.9 | 165.3 | 0.6 | 108.8 | N189 | R187-N189 PolarHBondContact O-N 3.41Š|
| 188 | D | 53.6 | Low | 51 | Low | 103 Ų | 103 | 142.9 Ų | 142.9 | 55% | 0.551 | 76% | 0.761 | S | S | * | * | | | trans | -42.6 | 112 | 170.6 | -174 | 0.1 | 0 | 0 | 0 | 111.1 | G186 R190 | G186-D188 PolarHBondContact O-N 3.01Å; D188-R190 PolarHBondContact O-N 3.03Å; D188-R190 VanDerWaalsContact OD1-CB 3.3Å; D188-R190 WeakPolarHBondContact OD1-CB 3.34Å; D188-R190 WeakPolarHBondContact OD1-CD 3.14Å; D188-R190 WeakPolarHBondContact OD1-CG 3.36Å; D188-R190 PolarHBondContact OD1-N 2.99Å; D188-R190 VanDerWaalsContact OD1-N 3.17Å; D188-R190 IonicContact OD1-NE 3.75Å |
| 189 | N | 55.4 | Low | 51.5 | Low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 5 | 179.2 | -71.4 | -27.3 | 0 | 0 | 0 | 113.3 | R187 R191 | R187-N189 PolarHBondContact O-N 3.41Å; N189-R191 VanDerWaalsContact C-N 3.28Å; N189-R191 PolarHBondContact O-N 3.03Å |
| 190 | R | 58.9 | Low | 51.6 | Low | 215 Ų | 215 | 142 Ų | 142 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -9.4 | -179.9 | -70 | 173.8 | -167.6 | 163.3 | 2 | 114.8 | D188 | D188-R190 PolarHBondContact O-N 3.03Å; D188-R190 VanDerWaalsContact OD1-CB 3.3Å; D188-R190 WeakPolarHBondContact OD1-CB 3.34Å; D188-R190 WeakPolarHBondContact OD1-CD 3.14Å; D188-R190 WeakPolarHBondContact OD1-CG 3.36Å; D188-R190 PolarHBondContact OD1-N 2.99Å; D188-R190 VanDerWaalsContact OD1-N 3.17Å; D188-R190 IonicContact OD1-NE 3.75Å |
| 191 | R | 50.3 | Low | 51.8 | Low | 236 Ų | 236 | 145 Ų | 145 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | | | trans | -101 | 74.5 | 166.9 | -69.3 | -172.4 | -170.6 | -147.4 | 2.1 | 108.9 | N189 T193 | N189-R191 VanDerWaalsContact C-N 3.28Å; N189-R191 PolarHBondContact O-N 3.03Å; R191-T193 PolarHBondContact O-N 3.32Å; R191-T193 VanDerWaalsContact O-N 3.11Å |
| 192 | G | 52.1 | Low | 51.9 | Low | 60 Ų | 60 | 142.5 Ų | 142.5 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | | | trans | -53 | 117.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | V194 | G192-V194 PolarHBondContact O-N 2.79Š|
| 193 | T | 49.6 | Very low | 52.1 | Low | 135 Ų | 135 | 142.1 Ų | 142.1 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | | | trans | -62 | 104.6 | 171.2 | 45.3 | 0 | 0 | 0 | 0 | 106.7 | R191 S195 | R191-T193 PolarHBondContact O-N 3.32Å; R191-T193 VanDerWaalsContact O-N 3.11Å; T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 2.93Å |
| 194 | V | 52.8 | Low | 52.4 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | -69.1 | 98.4 | 169.7 | -159.9 | 0 | 0 | 0 | 0 | 104.9 | G192 S196 | G192-V194 PolarHBondContact O-N 2.79Å; V194-S196 PolarHBondContact O-N 2.77Å; V194-S196 VanDerWaalsContact O-N 3.1Å |
| 195 | S | 53.2 | Low | 52.6 | Low | 98 Ų | 98 | 147.1 Ų | 147.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | -74.1 | 97.2 | 172.6 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | T193 H197 | T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 2.93Å; S195-H197 PolarHBondContact O-N 2.69Å |
| 196 | S | 52.8 | Low | 52.6 | Low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -73.8 | 81.3 | 168.3 | -55.5 | 0 | 0 | 0 | 0 | 107.6 | V194 E198 | V194-S196 PolarHBondContact O-N 2.77Å; V194-S196 VanDerWaalsContact O-N 3.1Å; S196-E198 VanDerWaalsContact C-N 3.3Å; S196-E198 PolarHBondContact O-N 2.99Å |
| 197 | H | 49.3 | Very low | 52.8 | Low | 163 Ų | 163 | 142.2 Ų | 142.2 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | trans | -74.1 | 94.9 | 165.2 | -131.6 | -45.1 | 0 | 0 | 0 | 106.4 | S195 V199 | S195-H197 PolarHBondContact O-N 2.69Å; H197-V199 PolarHBondContact O-N 3.47Å |
| 198 | E | 55.7 | Low | 52.8 | Low | 142 Ų | 142 | 141.9 Ų | 141.9 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | trans | -61.8 | 107.3 | 164.9 | -69.8 | -173.7 | 169.9 | 0 | 0 | 106.8 | S196 F200 | S196-E198 VanDerWaalsContact C-N 3.3Å; S196-E198 PolarHBondContact O-N 2.99Å; E198-F200 PolarHBondContact O-N 3.06Å; E198-F200 VanDerWaalsContact O-N 3.12Å |
| 199 | V | 57.1 | Low | 52.1 | Low | 110 Ų | 110 | 150.3 Ų | 150.3 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | | | trans | -74 | 100.3 | 171.1 | 178.8 | 0 | 0 | 0 | 0 | 105.8 | H197 H201 | H197-V199 PolarHBondContact O-N 3.47Å; V199-H201 PolarHBondContact O-N 2.88Å |
| 200 | F | 53.3 | Low | 51.9 | Low | 165 Ų | 165 | 150 Ų | 150 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | | | trans | -62.5 | 107.4 | 169.8 | -71.9 | -79.3 | 0 | 0 | 0 | 108.2 | E198 N202 | E198-F200 PolarHBondContact O-N 3.06Å; E198-F200 VanDerWaalsContact O-N 3.12Å; F200-N202 PolarHBondContact O-N 2.9Å |
| 201 | H | 54.3 | Low | 51.6 | Low | 167 Ų | 167 | 146.5 Ų | 146.5 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -67.2 | 103.4 | 167 | -77.3 | -72.4 | 0 | 0 | 0 | 107.9 | V199 S203 | V199-H201 PolarHBondContact O-N 2.88Å; H201-S203 PolarHBondContact O-N 2.93Å |
| 202 | N | 50.6 | Low | 51.6 | Low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -64.8 | 77.1 | 160.1 | -70.9 | -18.5 | 0 | 0 | 0 | 107.7 | F200 S204 | F200-N202 PolarHBondContact O-N 2.9Å; N202-S204 PolarHBondContact O-N 3.05Å |
| 203 | S | 52.7 | Low | 51.6 | Low | 92 Ų | 92 | 146.4 Ų | 146.4 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | -70.4 | 94.5 | 160.4 | 48.1 | 0 | 0 | 0 | 0 | 105.7 | H201 R205 | H201-S203 PolarHBondContact O-N 2.93Å; S203-R205 PolarHBondContact O-N 3.32Å |
| 204 | S | 51.2 | Low | 51.7 | Low | 93 Ų | 93 | 147.1 Ų | 147.1 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 94.2 | 167 | -143 | 0 | 0 | 0 | 0 | 106.3 | N202 D206 | N202-S204 PolarHBondContact O-N 3.05Å; S204-D206 PolarHBondContact O-N 3.13Å; S204-D206 PolarHBondContact OG-OD2 2.85Å |
| 205 | R | 53.4 | Low | 51.7 | Low | 222 Ų | 222 | 148.1 Ų | 148.1 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -75.6 | 58.3 | 167.6 | -73.4 | 176.9 | 121.4 | 155.2 | 1.1 | 107.6 | S203 S207 | S203-R205 PolarHBondContact O-N 3.32Å; R205-S207 PolarHBondContact O-N 3.1Å |
| 206 | D | 51.8 | Low | 51.5 | Low | 111 Ų | 111 | 151.7 Ų | 151.7 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | | | trans | -76.4 | 85.2 | 165.8 | -70.8 | -44.6 | 0 | 0 | 0 | 107.3 | S204 Y208 | S204-D206 PolarHBondContact O-N 3.13Å; S204-D206 PolarHBondContact OG-OD2 2.85Å; D206-Y208 VanDerWaalsContact C-N 3.34Å; D206-Y208 HydrophobicContact CB-CD2 4.17Å; D206-Y208 HydrophobicContact CB-CE2 3.98Å; D206-Y208 PolarHBondContact O-N 3.4Å |
| 207 | S | 51.6 | Low | 51.4 | Low | 111 Ų | 111 | 155.6 Ų | 155.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -63.1 | 93.7 | 165.3 | -58.1 | 0 | 0 | 0 | 0 | 107.8 | R205 | R205-S207 PolarHBondContact O-N 3.1Š|
| 208 | Y | 48.5 | Very low | 51.6 | Low | 208 Ų | 208 | 155 Ų | 155 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -93.5 | 110.3 | 159.1 | -75.2 | -81.1 | 0 | 0 | 0 | 108.3 | D206 | D206-Y208 VanDerWaalsContact C-N 3.34Å; D206-Y208 HydrophobicContact CB-CD2 4.17Å; D206-Y208 HydrophobicContact CB-CE2 3.98Å; D206-Y208 PolarHBondContact O-N 3.4Å |
| 209 | K | 39.4 | Very low | 51.3 | Low | 280 Ų | 280 | 156.2 Ų | 156.2 | 100% | 1.217 | 78% | 0.777 | S | S | * | * | | | trans | -0.7 | 0 | 166.2 | -70.8 | 178.8 | 174.1 | 178.7 | 0 | 118.9 | | |