| 1 | M | 57.1 | Low | 60.6 | Low | 239 Ų | 239 | 157.4 Ų | 157.4 | 100% | 1.177 | 87% | 0.866 | S | S | * | * | | | | 0 | 128.8 | 0 | -64.1 | 81.3 | 166.9 | 0 | 0 | 108.2 | | |
| 2 | Q | 66.6 | Low | 59.5 | Low | 190 Ų | 190 | 150.4 Ų | 150.4 | 89% | 0.888 | 86% | 0.858 | S | S | * | * | | | trans | -130.3 | 130 | 165.3 | -89.5 | 174.1 | -2.4 | 0 | 0 | 107.3 | | |
| 3 | E | 59.2 | Low | 59.5 | Low | 179 Ų | 179 | 158.8 Ų | 158.8 | 84% | 0.836 | 87% | 0.867 | S | S | * | * | | | trans | -91.2 | 120.7 | -163.3 | -167.3 | -178.7 | 110.8 | 0 | 0 | 110.1 | | |
| 4 | F | 69.4 | Low | 59 | Low | 194 Ų | 194 | 159.4 Ų | 159.4 | 85% | 0.851 | 87% | 0.867 | S | S | * | * | | | trans | -89.2 | 110.3 | 172.2 | -88.2 | -94.3 | 0 | 0 | 0 | 109.4 | S6 | F4-S6 PolarHBondContact O-N 3.45Š|
| 5 | Q | 66.5 | Low | 58.6 | Low | 175 Ų | 175 | 162.9 Ų | 162.9 | 82% | 0.818 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 120.2 | 170.2 | -68.7 | -169.8 | 5.3 | 0 | 0 | 110 | | |
| 6 | S | 69 | Low | 57.9 | Low | 112 Ų | 112 | 157.3 Ų | 157.3 | 78% | 0.783 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 126.7 | 175.4 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | F4 P8 | F4-S6 PolarHBondContact O-N 3.45Å; S6-P8 WeakPolarHBondContact O-CD 3.19Å |
| 7 | I | 65.4 | Low | 57.2 | Low | 164 Ų | 164 | 153 Ų | 153 | 84% | 0.841 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 120.8 | 176.8 | -57 | 171.4 | 0 | 0 | 0 | 109.1 | | |
| 8 | P | 52.6 | Low | 56.6 | Low | 124 Ų | 124 | 150.6 Ų | 150.6 | 81% | 0.805 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 129.8 | 173 | 33 | -30.9 | 0 | 0 | 0 | 110.2 | S6 | S6-P8 WeakPolarHBondContact O-CD 3.19Š|
| 9 | G | 54.4 | Low | 56.1 | Low | 74 Ų | 74 | 148.2 Ų | 148.2 | 76% | 0.763 | 87% | 0.867 | S | S | * | * | | | trans | -176.2 | 5.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 10 | L | 54.2 | Low | 55.9 | Low | 181 Ų | 181 | 145.6 Ų | 145.6 | 95% | 0.948 | 86% | 0.863 | S | S | * | * | | | trans | -123.2 | 84 | 179.5 | -147.1 | 79.9 | 0 | 0 | 0 | 113.4 | | |
| 11 | A | 51.9 | Low | 55.6 | Low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 86% | 0.864 | S | S | * | * | | | trans | -86 | 126.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 12 | G | 48.4 | Very low | 55.3 | Low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 85% | 0.846 | S | S | * | * | | | trans | 41.4 | 109.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 13 | R | 58.6 | Low | 54.5 | Low | 260 Ų | 260 | 135.7 Ų | 135.7 | 98% | 0.981 | 84% | 0.843 | S | S | * | * | | | trans | -132.6 | 108.3 | 146.9 | -64.7 | -172.2 | -173.8 | -118.3 | -3 | 109.1 | | |
| 14 | L | 53.5 | Low | 54.4 | Low | 166 Ų | 166 | 135.3 Ų | 135.3 | 87% | 0.869 | 85% | 0.846 | S | S | * | * | | | trans | -122.5 | 102.4 | -172.2 | -175.4 | 88.3 | 0 | 0 | 0 | 108.8 | | |
| 15 | F | 52.4 | Low | 53.5 | Low | 212 Ų | 212 | 137.4 Ų | 137.4 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | | | trans | -175 | 134.3 | 165.3 | -107.6 | -79.1 | 0 | 0 | 0 | 106.2 | | |
| 16 | G | 47.4 | Very low | 52.8 | Low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | | | cis | 120.5 | 90.2 | 7.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 17 | G | 45.3 | Very low | 52.1 | Low | 85 Ų | 85 | 139.6 Ų | 139.6 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | | | trans | -177.7 | 115.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 18 | A | 46.7 | Very low | 51.3 | Low | 109 Ų | 109 | 141.1 Ų | 141.1 | 90% | 0.901 | 86% | 0.855 | S | S | * | * | | | trans | -116.6 | 146.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 19 | A | 47 | Very low | 51 | Low | 106 Ų | 106 | 139.5 Ų | 139.5 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | | | trans | -150.4 | 145.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 20 | A | 53.6 | Low | 50.8 | Low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 85% | 0.848 | S | S | * | * | | | trans | -90.6 | 163.7 | -160.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 21 | P | 49.4 | Very low | 50.8 | Low | 135 Ų | 135 | 140.5 Ų | 140.5 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | | | trans | -83.1 | 157.9 | 179.2 | 34.8 | -35.6 | 0 | 0 | 0 | 112.9 | | |
| 22 | G | 50.9 | Low | 50.3 | Low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | | | trans | -147.7 | 112.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 23 | D | 49.8 | Very low | 50 | Low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 85% | 0.845 | S | S | * | * | | | trans | -63 | 138.6 | 172.4 | -81.8 | -89.1 | 0 | 0 | 0 | 113.4 | | |
| 24 | L | 55.3 | Low | 49.4 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 90% | 0.901 | 84% | 0.844 | S | S | * | * | | | trans | -151.7 | 76.7 | 148.5 | -142.3 | 81.7 | 0 | 0 | 0 | 115.2 | R26 | L24-R26 PolarHBondContact O-N 3.11Š|
| 25 | R | 50.5 | Low | 48.7 | Very low | 237 Ų | 237 | 134.2 Ų | 134.2 | 89% | 0.894 | 83% | 0.833 | S | S | * | * | | | trans | -20.9 | 110.7 | 150.9 | 176.8 | -165.6 | 178 | -176.4 | 1.3 | 116.2 | | |
| 26 | R | 51.9 | Low | 48.2 | Very low | 240 Ų | 240 | 127.4 Ų | 127.4 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | trans | -161.5 | 148.2 | 150.9 | -150.8 | 72.5 | -175.7 | -175.6 | 1.5 | 114.7 | L24 | L24-R26 PolarHBondContact O-N 3.11Š|
| 27 | A | 54.1 | Low | 48.2 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | | | trans | 73.2 | 74.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 28 | Q | 49.1 | Very low | 48.3 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -58.5 | 126 | 137.8 | 169.1 | -161.4 | -6.1 | 0 | 0 | 109.8 | | |
| 29 | A | 46.7 | Very low | 48.3 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | | | trans | 163.8 | 132.8 | 136.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 30 | A | 49.7 | Very low | 47.9 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | | | trans | 40.1 | 115.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 31 | Q | 54.3 | Low | 47.2 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | | -174.9 | 159.4 | 105.2 | -96.2 | 153 | 103.1 | 0 | 0 | 113.3 | | |
| 32 | H | 42.8 | Very low | 46.9 | Very low | 197 Ų | 197 | 131.2 Ų | 131.2 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | | | trans | -71.3 | 148.9 | -175.7 | -63.5 | 107.8 | 0 | 0 | 0 | 113.5 | | |
| 33 | G | 41.3 | Very low | 46.8 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | | | trans | -168.7 | 107.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G35 | G33-G35 PolarHBondContact O-N 3Š|
| 34 | P | 45.8 | Very low | 46.8 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | | | trans | -78.1 | 72.7 | 173.1 | 33.3 | -33.2 | 0 | 0 | 0 | 109.5 | | |
| 35 | G | 39 | Very low | 46.1 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | trans | -131 | 28.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G33 A37 | G33-G35 PolarHBondContact O-N 3Å; G35-A37 PolarHBondContact O-N 3.29Å |
| 36 | G | 41.5 | Very low | 46 | Very low | 68 Ų | 68 | 118.5 Ų | 118.5 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -68.9 | 70.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R38 | G36-R38 PolarHBondContact O-N 3.07Š|
| 37 | A | 47.7 | Very low | 46.2 | Very low | 89 Ų | 89 | 112.6 Ų | 112.6 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -65.8 | 76.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | G35 C39 | G35-A37 PolarHBondContact O-N 3.29Å; A37-C39 PolarHBondContact O-N 3.07Å |
| 38 | R | 47 | Very low | 46.6 | Very low | 234 Ų | 234 | 115.1 Ų | 115.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | -48.8 | 104.8 | 164.4 | 36.1 | 177.4 | 162 | -96.5 | -3.1 | 107 | G36 G40 | G36-R38 PolarHBondContact O-N 3.07Å; R38-G40 PolarHBondContact O-N 3.13Å |
| 39 | C | 47.8 | Very low | 47.7 | Very low | 127 Ų | 127 | 108.5 Ų | 108.5 | 86% | 0.858 | 74% | 0.739 | S | S | * | * | | | trans | -53.7 | 107.8 | -175.1 | -62.3 | 0 | 0 | 0 | 0 | 108.5 | A37 G41 | A37-C39 PolarHBondContact O-N 3.07Å; C39-G41 PolarHBondContact O-N 3.35Å |
| 40 | G | 37.3 | Very low | 49.4 | Very low | 78 Ų | 78 | 105.7 Ų | 105.7 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -71.6 | 63.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | R38 A42 | R38-G40 PolarHBondContact O-N 3.13Å; G40-A42 VanDerWaalsContact C-N 3.34Å; G40-A42 PolarHBondContact O-N 3.25Å |
| 41 | G | 39.8 | Very low | 51.2 | Low | 60 Ų | 60 | 107.6 Ų | 107.6 | 62% | 0.619 | 71% | 0.705 | S | S | * | * | | | trans | -59.2 | 104.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | C39 S43 | C39-G41 PolarHBondContact O-N 3.35Å; G41-S43 PolarHBondContact O-N 3.33Å |
| 42 | A | 42.2 | Very low | 52.9 | Low | 96 Ų | 96 | 98.4 Ų | 98.4 | 79% | 0.793 | 66% | 0.662 | S | S | * | * | | | trans | -51.6 | 110.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107 | G40 P44 | G40-A42 VanDerWaalsContact C-N 3.34Å; G40-A42 PolarHBondContact O-N 3.25Å; A42-P44 WeakPolarHBondContact O-CD 3.34Å; A42-P44 VanDerWaalsContact O-N 3.08Å |
| 43 | S | 49.9 | Very low | 55.1 | Low | 93 Ų | 93 | 92 Ų | 92 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | | | trans | -60.4 | 118.5 | -177.5 | -63.7 | 0 | 0 | 0 | 0 | 107.2 | G41 A45 | G41-S43 PolarHBondContact O-N 3.33Å; S43-A45 PolarHBondContact O-N 3.46Å |
| 44 | P | 49.8 | Very low | 57.1 | Low | 124 Ų | 124 | 91.7 Ų | 91.7 | 81% | 0.805 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 115.9 | -179.6 | 23.7 | -32.8 | 0 | 0 | 0 | 107.1 | A42 A46 | A42-P44 WeakPolarHBondContact O-CD 3.34Å; A42-P44 VanDerWaalsContact O-N 3.08Å; P44-A46 WeakPolarHBondContact O-CA 3.5Å; P44-A46 PolarHBondContact O-N 3.31Å |
| 45 | A | 39.6 | Very low | 59.2 | Low | 99 Ų | 99 | 87.3 Ų | 87.3 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -9.5 | 86 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S43 | S43-A45 PolarHBondContact O-N 3.46Š|
| 46 | A | 49.3 | Very low | 61.6 | Low | 57 Ų | 57 | 90.4 Ų | 90.4 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | | | trans | -51.2 | 125.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P44 E48 | P44-A46 WeakPolarHBondContact O-CA 3.5Å; P44-A46 PolarHBondContact O-N 3.31Å; A46-E48 PolarHBondContact O-N 3.47Å |
| 47 | P | 55.6 | Low | 63.9 | Low | 116 Ų | 116 | 88.5 Ų | 88.5 | 75% | 0.753 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 101.2 | -162.5 | 21 | -34.1 | 0 | 0 | 0 | 110.5 | A49 | P47-A49 VanDerWaalsContact C-N 3.31Å; P47-A49 PolarHBondContact O-N 2.8Å |
| 48 | E | 63.3 | Low | 66 | Low | 147 Ų | 147 | 89.2 Ų | 89.2 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 18.6 | 68.5 | -178.8 | 44.1 | 154.7 | 177.2 | 0 | 0 | 113.5 | A46 V50 K86 | A46-E48 PolarHBondContact O-N 3.47Å; E48-V50 WeakPolarHBondContact O-CA 3.18Å; E48-V50 WeakPolarHBondContact O-CG2 3.39Å; E48-V50 PolarHBondContact O-N 3.31Å; E48-K86 IonicContact OE1-NZ 2.65Å; E48-K86 PolarHBondContact OE1-NZ 3.11Å; E48-K86 IonicContact OE2-NZ 2.69Å; E48-K86 PolarHBondContact OE2-NZ 3.22Å |
| 49 | A | 71.5 | Confident | 68.1 | Low | 57 Ų | 57 | 82.9 Ų | 82.9 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | | | trans | -50.7 | 100.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P47 K51 | P47-A49 VanDerWaalsContact C-N 3.31Å; P47-A49 PolarHBondContact O-N 2.8Å; A49-K51 PolarHBondContact O-N 3.23Å; A49-K51 VanDerWaalsContact O-N 3.09Å |
| 50 | V | 81.6 | Confident | 70.2 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 18% | 0.182 | 51% | 0.511 | C | S | . | . | | | trans | -73.6 | 111.5 | -160.4 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | E48 T60 W84 K86 | E48-V50 WeakPolarHBondContact O-CA 3.18Å; E48-V50 WeakPolarHBondContact O-CG2 3.39Å; E48-V50 PolarHBondContact O-N 3.31Å; V50-T60 VanDerWaalsContact O-CG2 3.28Å; V50-T60 WeakPolarHBondContact O-CG2 3.33Å; V50-T60 PolarHBondContact O-OG1 2.91Å; V50-W84 HydrophobicContact CB-CH2 3.64Å; V50-W84 HydrophobicContact CB-CZ2 4.27Å; V50-W84 HydrophobicContact CG1-CH2 3.33Å; V50-W84 HydrophobicContact CG1-CZ2 4.32Å; V50-W84 HydrophobicContact CG1-CZ3 3.83Å; V50-K86 HydrophobicContact CG1-CD 4.1Å; V50-K86 HydrophobicContact CG1-CG 4.01Å; V50-K86 HydrophobicContact CG2-CD 3.87Å |
| 51 | K | 89.1 | Confident | 72.8 | Confident | 123 Ų | 123 | 81.6 Ų | 81.6 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | | | trans | -62.5 | 138 | -178.9 | 67.4 | 171.7 | -175.8 | 164.3 | 0 | 111.7 | A49 P53 E56 | A49-K51 PolarHBondContact O-N 3.23Å; A49-K51 VanDerWaalsContact O-N 3.09Å; K51-P53 WeakPolarHBondContact O-CD 3.32Å; K51-E56 IonicContact NZ-OE1 2.85Å; K51-E56 PolarHBondContact NZ-OE1 3.28Å |
| 52 | C | 89.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 49% | 0.492 | C | S | . | . | | | trans | -71 | 123.3 | 177 | -174 | 0 | 0 | 0 | 0 | 110.8 | R54 C55 E56 S57 T60 C77 | C52-R54 PolarHBondContact O-N 2.99Å; C52-C55 PolarHBondContact O-N 3Å; C52-E56 VanDerWaalsContact O-CA 3.26Å; C52-E56 WeakPolarHBondContact O-CA 3.33Å; C52-E56 PolarHBondContact O-N 3.28Å; C52-S57 PolarHBondContact N-O 3.12Å; C52-T60 HydrophobicContact CB-CG2 3.78Å; C52-C77 HydrophobicContact CB-CB 3.86Å; C52-C77 WeakPolarHBondContact CB-SG 3.28Å; C52-C77 VanDerWaalsContact SG-CB 3.54Å; C52-C77 VanDerWaalsContact SG-SG 3.69Å |
| 53 | P | 87.6 | Confident | 77.8 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 41% | 0.409 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 4.8 | -176.3 | 29.1 | -37.1 | 0 | 0 | 0 | 114.9 | K51 W84 | K51-P53 WeakPolarHBondContact O-CD 3.32Å; P53-W84 HydrophobicContact CG-CE3 4.26Å |
| 54 | R | 85 | Confident | 79.9 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 21% | 0.211 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -21 | 178.6 | -71.1 | -174.6 | 171.9 | 126.6 | -1.3 | 114.9 | C52 Y83 L90 | C52-R54 PolarHBondContact O-N 2.99Å; R54-Y83 PolarHBondContact NH1-O 2.84Å; R54-L90 HydrophobicContact CG-CD2 4.27Å |
| 55 | C | 89.5 | Confident | 82 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.4 | 9.9 | -171.1 | 60 | 0 | 0 | 0 | 0 | 112.8 | C52 S57 C77 S79 C80 | C52-C55 PolarHBondContact O-N 3Å; C55-S57 PolarHBondContact O-N 3.05Å; C55-C77 VanDerWaalsContact SG-SG 3.65Å; C55-S79 PolarHBondContact SG-OG 2.95Å; C55-C80 HydrophobicContact CB-CB 4.46Å |
| 56 | E | 88.9 | Confident | 84.3 | Confident | 127 Ų | 127 | 77 Ų | 77 | 59% | 0.593 | 41% | 0.41 | S | S | * | . | | | trans | 54.6 | 1.9 | 175.1 | -51.6 | -154 | 108.4 | 0 | 0 | 117.4 | K51 C52 T58 | K51-E56 IonicContact NZ-OE1 2.85Å; K51-E56 PolarHBondContact NZ-OE1 3.28Å; C52-E56 VanDerWaalsContact O-CA 3.26Å; C52-E56 WeakPolarHBondContact O-CA 3.33Å; C52-E56 PolarHBondContact O-N 3.28Å; E56-T58 PolarHBondContact O-N 2.74Å |
| 57 | S | 88.9 | Confident | 86 | Confident | 28 Ų | 28 | 80.6 Ų | 80.6 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | | | trans | -67 | 138.5 | -178.7 | 82.2 | 0 | 0 | 0 | 0 | 111.8 | C52 C55 N59 C77 S79 | C52-S57 PolarHBondContact N-O 3.12Å; C55-S57 PolarHBondContact O-N 3.05Å; S57-N59 PolarHBondContact O-N 2.93Å; S57-C77 PolarHBondContact OG-SG 2.94Å; S57-S79 WeakPolarHBondContact CB-OG 3.45Å; S57-S79 PolarHBondContact OG-OG 2.85Å |
| 58 | T | 92.3 | Very high | 87.4 | Confident | 104 Ų | 104 | 86 Ų | 86 | 64% | 0.638 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -70.6 | -11.4 | 172 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | E56 T60 | E56-T58 PolarHBondContact O-N 2.74Å; T58-T60 PolarHBondContact O-N 3.12Å |
| 59 | N | 90.5 | Very high | 88.3 | Confident | 101 Ų | 101 | 82.7 Ų | 82.7 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | | | trans | -81.3 | 68.6 | 179.5 | -151 | -91.8 | 0 | 0 | 0 | 111.6 | S57 K78 | S57-N59 PolarHBondContact O-N 2.93Å; N59-K78 HydrophobicContact CB-CB 4.36Å; N59-K78 PolarHBondContact O-N 3.03Å; N59-K78 WeakPolarHBondContact OD1-CB 3.22Å |
| 60 | T | 92.5 | Very high | 89 | Confident | 30 Ų | 30 | 85.9 Ų | 85.9 | 18% | 0.184 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.9 | 171 | 74.6 | 0 | 0 | 0 | 0 | 109.9 | V50 C52 T58 F76 C77 W84 | V50-T60 VanDerWaalsContact O-CG2 3.28Å; V50-T60 WeakPolarHBondContact O-CG2 3.33Å; V50-T60 PolarHBondContact O-OG1 2.91Å; C52-T60 HydrophobicContact CB-CG2 3.78Å; T58-T60 PolarHBondContact O-N 3.12Å; T60-F76 CarbonylContact C-O 3.51Å; T60-F76 VanDerWaalsContact CA-O 3.29Å; T60-F76 WeakPolarHBondContact CA-O 3.24Å; T60-C77 HydrophobicContact CG2-CB 4.11Å; T60-W84 HydrophobicContact CG2-CZ2 3.74Å |
| 61 | K | 92.9 | Very high | 89.3 | Confident | 147 Ų | 147 | 89 Ų | 89 | 64% | 0.639 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.3 | 175.4 | -163.8 | -170 | 173.4 | 177.8 | 0 | 109 | H75 F76 | K61-H75 CarbonylContact O-C 3.57Å; K61-H75 VanDerWaalsContact O-CA 3.29Å; K61-H75 WeakPolarHBondContact O-CA 3.42Å; K61-F76 PolarHBondContact N-O 3.22Å; K61-F76 PolarHBondContact O-N 3.36Å |
| 62 | F | 92.4 | Very high | 89.3 | Confident | 88 Ų | 88 | 86.7 Ų | 86.7 | 39% | 0.386 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 139.7 | 163.7 | 173.7 | -97.7 | 0 | 0 | 0 | 110 | Y65 P73 | F62-Y65 HydrophobicContact CE1-CE2 4.35Å; F62-Y65 HydrophobicContact CE2-CD1 4.08Å; F62-Y65 HydrophobicContact CE2-CD2 4.44Å; F62-Y65 AromaticContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE2 4.21Å; F62-Y65 HydrophobicContact CE2-CG 4.39Å; F62-Y65 AromaticContact CE2-CZ 3.89Å; F62-Y65 HydrophobicContact CZ-CD1 4.21Å; F62-Y65 AromaticContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CE1 4.01Å; F62-Y65 AromaticContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CG 4.1Å; F62-Y65 AromaticContact CZ-CZ 3.65Å; F62-P73 HydrophobicContact CD2-CB 3.86Å; F62-P73 HydrophobicContact CE2-CB 3.64Å |
| 63 | C | 93 | Very high | 89.3 | Confident | 61 Ų | 61 | 88.1 Ų | 88.1 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -52.9 | -175.3 | -161.2 | 0 | 0 | 0 | 0 | 112.8 | R74 F76 Y83 | C63-R74 PolarHBondContact N-O 3.03Å; C63-F76 HydrophobicContact CB-CB 4.49Å; C63-Y83 HydrophobicContact CB-CE1 4.29Å |
| 64 | Y | 94.3 | Very high | 89.6 | Confident | 105 Ų | 105 | 87.4 Ų | 87.4 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 166.7 | 178.1 | 61.7 | -80.1 | 0 | 0 | 0 | 110.8 | R74 Y83 | Y64-R74 WeakPolarHBondContact O-CB 3.29Å; Y64-R74 PolarHBondContact O-N 2.98Å; Y64-R74 WeakPolarHBondContact OH-CD 3.45Å; Y64-Y83 HydrophobicContact CE1-CE1 4.31Å |
| 65 | Y | 93.5 | Very high | 89.9 | Confident | 103 Ų | 103 | 85.8 Ų | 85.8 | 40% | 0.404 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 139.1 | 172.6 | -65.7 | -72.5 | 0 | 0 | 0 | 111.4 | F62 L70 P73 | F62-Y65 HydrophobicContact CE1-CE2 4.35Å; F62-Y65 HydrophobicContact CE2-CD1 4.08Å; F62-Y65 HydrophobicContact CE2-CD2 4.44Å; F62-Y65 AromaticContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE1 3.83Å; F62-Y65 HydrophobicContact CE2-CE2 4.21Å; F62-Y65 HydrophobicContact CE2-CG 4.39Å; F62-Y65 AromaticContact CE2-CZ 3.89Å; F62-Y65 HydrophobicContact CZ-CD1 4.21Å; F62-Y65 AromaticContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CD2 3.76Å; F62-Y65 HydrophobicContact CZ-CE1 4.01Å; F62-Y65 AromaticContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CE2 3.52Å; F62-Y65 HydrophobicContact CZ-CG 4.1Å; F62-Y65 AromaticContact CZ-CZ 3.65Å; Y65-L70 HydrophobicContact CD1-CD2 4.29Å; Y65-L70 WeakPolarHBondContact CD1-O 3.26Å; Y65-L70 HydrophobicContact CD2-CD2 3.66Å; Y65-L70 HydrophobicContact CE1-CD2 4.29Å; Y65-L70 VanDerWaalsContact CE1-O 3.24Å; Y65-L70 WeakPolarHBondContact CE1-O 3.4Å; Y65-L70 HydrophobicContact CE2-CD2 3.66Å; Y65-L70 HydrophobicContact CG-CD2 3.98Å; Y65-P73 HydrophobicContact CD1-CB 4.13Å; Y65-P73 HydrophobicContact CE1-CB 3.92Å |
| 66 | N | 89.5 | Confident | 90.1 | Very high | 20 Ų | 20 | 86 Ų | 86 | 11% | 0.107 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -76.2 | 136 | 178.2 | -170.2 | 53.3 | 0 | 0 | 0 | 111.8 | Y68 N69 Q72 R74 | N66-Y68 PolarHBondContact O-N 2.77Å; N66-Y68 VanDerWaalsContact O-N 3.1Å; N66-N69 WeakPolarHBondContact O-CB 3.02Å; N66-N69 PolarHBondContact O-N 2.82Å; N66-Q72 HydrophobicContact CB-CB 4.03Å; N66-Q72 HydrophobicContact CB-CG 3.91Å; N66-Q72 PolarHBondContact N-O 3.16Å; N66-Q72 PolarHBondContact ND2-OE1 2.97Å; N66-R74 HydrophobicContact CB-CG 4.36Å; N66-R74 VanDerWaalsContact CG-NH2 3.34Å; N66-R74 VanDerWaalsContact OD1-CZ 3.26Å; N66-R74 PolarHBondContact OD1-NE 3.04Å; N66-R74 PolarHBondContact OD1-NH2 2.92Å |
| 67 | N | 85.1 | Confident | 90.3 | Very high | 131 Ų | 131 | 80 Ų | 80 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | 51 | 33.1 | 175.8 | -58.3 | -19.1 | 0 | 0 | 0 | 113.9 | N69 | N67-N69 PolarHBondContact O-N 3.28Š|
| 68 | Y | 83.1 | Confident | 90.5 | Very high | 229 Ų | 229 | 85.3 Ų | 85.3 | 90% | 0.898 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | 58.5 | 9.2 | -171.7 | -50.4 | -84.8 | 0 | 0 | 0 | 115.3 | N66 L70 | N66-Y68 PolarHBondContact O-N 2.77Å; N66-Y68 VanDerWaalsContact O-N 3.1Å; Y68-L70 PolarHBondContact O-N 3.39Å |
| 69 | N | 83 | Confident | 90.4 | Very high | 78 Ų | 78 | 83.7 Ų | 83.7 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | | | trans | -86.4 | 112.7 | 178.5 | -176.3 | -0.9 | 0 | 0 | 0 | 111.1 | N66 N67 S71 Q72 | N66-N69 WeakPolarHBondContact O-CB 3.02Å; N66-N69 PolarHBondContact O-N 2.82Å; N67-N69 PolarHBondContact O-N 3.28Å; N69-S71 PolarHBondContact ND2-OG 3.16Å; N69-S71 VanDerWaalsContact ND2-OG 3.14Å; N69-S71 PolarHBondContact O-N 2.87Å; N69-S71 PolarHBondContact OD1-N 2.86Å; N69-S71 PolarHBondContact OD1-OG 3.19Å; N69-Q72 PolarHBondContact O-N 3.34Å; N69-Q72 VanDerWaalsContact O-N 3.09Å |
| 70 | L | 87 | Confident | 90.4 | Very high | 125 Ų | 125 | 80.9 Ų | 80.9 | 65% | 0.654 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.7 | 178.5 | -59.8 | 179.7 | 0 | 0 | 0 | 113.4 | Y65 Y68 Q72 | Y65-L70 HydrophobicContact CD1-CD2 4.29Å; Y65-L70 WeakPolarHBondContact CD1-O 3.26Å; Y65-L70 HydrophobicContact CD2-CD2 3.66Å; Y65-L70 HydrophobicContact CE1-CD2 4.29Å; Y65-L70 VanDerWaalsContact CE1-O 3.24Å; Y65-L70 WeakPolarHBondContact CE1-O 3.4Å; Y65-L70 HydrophobicContact CE2-CD2 3.66Å; Y65-L70 HydrophobicContact CG-CD2 3.98Å; Y68-L70 PolarHBondContact O-N 3.39Å; L70-Q72 PolarHBondContact O-N 2.78Å |
| 71 | S | 88 | Confident | 90.4 | Very high | 96 Ų | 96 | 89.4 Ų | 89.4 | 67% | 0.671 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -3.9 | 177.3 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | N69 P73 | N69-S71 PolarHBondContact ND2-OG 3.16Å; N69-S71 VanDerWaalsContact ND2-OG 3.14Å; N69-S71 PolarHBondContact O-N 2.87Å; N69-S71 PolarHBondContact OD1-N 2.86Å; N69-S71 PolarHBondContact OD1-OG 3.19Å; S71-P73 WeakPolarHBondContact O-CD 3.29Å |
| 72 | Q | 87.9 | Confident | 90.3 | Very high | 74 Ų | 74 | 86.8 Ų | 86.8 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | | | trans | -122.7 | 67.6 | -179.8 | -160.1 | 175.1 | 22.7 | 0 | 0 | 113.6 | N66 N69 L70 R74 T85 | N66-Q72 HydrophobicContact CB-CB 4.03Å; N66-Q72 HydrophobicContact CB-CG 3.91Å; N66-Q72 PolarHBondContact N-O 3.16Å; N66-Q72 PolarHBondContact ND2-OE1 2.97Å; N69-Q72 PolarHBondContact O-N 3.34Å; N69-Q72 VanDerWaalsContact O-N 3.09Å; L70-Q72 PolarHBondContact O-N 2.78Å; Q72-R74 PolarHBondContact O-N 2.99Å; Q72-T85 HydrophobicContact CG-CG2 4.39Å |
| 73 | P | 91.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 87.9 Ų | 87.9 | 20% | 0.195 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 120.2 | 179.1 | 28.6 | -35.3 | 0 | 0 | 0 | 112.7 | F62 Y65 S71 H75 | F62-P73 HydrophobicContact CD2-CB 3.86Å; F62-P73 HydrophobicContact CE2-CB 3.64Å; Y65-P73 HydrophobicContact CD1-CB 4.13Å; Y65-P73 HydrophobicContact CE1-CB 3.92Å; S71-P73 WeakPolarHBondContact O-CD 3.29Å; P73-H75 PolarHBondContact O-ND1 2.72Å |
| 74 | R | 92 | Very high | 90.1 | Very high | 48 Ų | 48 | 85.7 Ų | 85.7 | 18% | 0.181 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.2 | 174.3 | -65 | 172.3 | 171.1 | -84.2 | 9 | 110.6 | C63 Y64 N66 Q72 T85 | C63-R74 PolarHBondContact N-O 3.03Å; Y64-R74 WeakPolarHBondContact O-CB 3.29Å; Y64-R74 PolarHBondContact O-N 2.98Å; Y64-R74 WeakPolarHBondContact OH-CD 3.45Å; N66-R74 HydrophobicContact CB-CG 4.36Å; N66-R74 VanDerWaalsContact CG-NH2 3.34Å; N66-R74 VanDerWaalsContact OD1-CZ 3.26Å; N66-R74 PolarHBondContact OD1-NE 3.04Å; N66-R74 PolarHBondContact OD1-NH2 2.92Å; Q72-R74 PolarHBondContact O-N 2.99Å; R74-T85 HydrophobicContact CG-CG2 4.02Å |
| 75 | H | 93.2 | Very high | 89.9 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.4 | 178.5 | -66.4 | 68.6 | 0 | 0 | 0 | 109.6 | K61 P73 Y83 W84 | K61-H75 CarbonylContact O-C 3.57Å; K61-H75 VanDerWaalsContact O-CA 3.29Å; K61-H75 WeakPolarHBondContact O-CA 3.42Å; P73-H75 PolarHBondContact O-ND1 2.72Å; H75-Y83 CarbonylContact O-C 3.59Å; H75-Y83 WeakPolarHBondContact O-CA 3.48Å; H75-W84 HydrophobicContact CB-CD2 4.01Å; H75-W84 HydrophobicContact CB-CH2 3.79Å; H75-W84 HydrophobicContact CB-CZ2 3.23Å; H75-W84 HydrophobicContact CB-CZ3 4.47Å; H75-W84 AromaticContact CD2-CH2 3.84Å; H75-W84 AromaticContact CD2-CZ2 3.79Å; H75-W84 AromaticContact CG-CH2 3.66Å; H75-W84 AromaticContact CG-CZ2 3.57Å; H75-W84 PolarHBondContact N-O 2.91Å; H75-W84 PolarHBondContact O-N 3.24Å |
| 76 | F | 92.8 | Very high | 89.4 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 26% | 0.263 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.9 | 170.9 | -178.1 | -103.4 | 0 | 0 | 0 | 109.5 | T60 K61 C63 K78 R81 Y83 | T60-F76 CarbonylContact C-O 3.51Å; T60-F76 VanDerWaalsContact CA-O 3.29Å; T60-F76 WeakPolarHBondContact CA-O 3.24Å; K61-F76 PolarHBondContact N-O 3.22Å; K61-F76 PolarHBondContact O-N 3.36Å; C63-F76 HydrophobicContact CB-CB 4.49Å; F76-K78 HydrophobicContact CE1-CD 4.36Å; F76-R81 HydrophobicContact CZ-CB 4.21Å; F76-Y83 HydrophobicContact CB-CD1 4Å; F76-Y83 HydrophobicContact CB-CE1 3.88Å; F76-Y83 AromaticContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD2 4.44Å; F76-Y83 AromaticContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE2 4.18Å; F76-Y83 HydrophobicContact CD2-CG 4.3Å; F76-Y83 AromaticContact CD2-CZ 3.76Å; F76-Y83 HydrophobicContact CG-CD1 4.46Å; F76-Y83 HydrophobicContact CG-CE1 4.16Å |
| 77 | C | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123 | 171.8 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | C52 C55 S57 T60 S79 C80 R81 R82 | C52-C77 HydrophobicContact CB-CB 3.86Å; C52-C77 WeakPolarHBondContact CB-SG 3.28Å; C52-C77 VanDerWaalsContact SG-CB 3.54Å; C52-C77 VanDerWaalsContact SG-SG 3.69Å; C55-C77 VanDerWaalsContact SG-SG 3.65Å; S57-C77 PolarHBondContact OG-SG 2.94Å; T60-C77 HydrophobicContact CG2-CB 4.11Å; C77-S79 PolarHBondContact SG-OG 3.49Å; C77-C80 VanDerWaalsContact CB-SG 3.58Å; C77-R81 WeakPolarHBondContact O-CA 3.43Å; C77-R81 PolarHBondContact O-N 3.1Å; C77-R82 PolarHBondContact N-O 3.39Å; C77-R82 VanDerWaalsContact N-O 3.11Å; C77-R82 PolarHBondContact O-N 3.06Å |
| 78 | K | 92.3 | Very high | 88.5 | Confident | 140 Ų | 140 | 80 Ų | 80 | 61% | 0.609 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -37.5 | -176 | -169.7 | 75.7 | 171.8 | -166.8 | 0 | 112.9 | N59 F76 | N59-K78 HydrophobicContact CB-CB 4.36Å; N59-K78 PolarHBondContact O-N 3.03Å; N59-K78 WeakPolarHBondContact OD1-CB 3.22Å; F76-K78 HydrophobicContact CE1-CD 4.36Å |
| 79 | S | 91.6 | Very high | 87.8 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 49% | 0.49 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -48.6 | -175.8 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | C55 S57 C77 | C55-S79 PolarHBondContact SG-OG 2.95Å; S57-S79 WeakPolarHBondContact CB-OG 3.45Å; S57-S79 PolarHBondContact OG-OG 2.85Å; C77-S79 PolarHBondContact SG-OG 3.49Å |
| 80 | C | 90.3 | Very high | 87.2 | Confident | 42 Ų | 42 | 74 Ų | 74 | 28% | 0.284 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.1 | 175.5 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | C55 C77 R82 | C55-C80 HydrophobicContact CB-CB 4.46Å; C77-C80 VanDerWaalsContact CB-SG 3.58Å; C80-R82 PolarHBondContact O-N 2.87Å |
| 81 | R | 91.9 | Very high | 86.6 | Confident | 209 Ų | 209 | 77.5 Ų | 77.5 | 79% | 0.789 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.9 | -177.3 | -58.8 | -175.5 | -178 | -174.9 | 0.2 | 113.7 | F76 C77 | F76-R81 HydrophobicContact CZ-CB 4.21Å; C77-R81 WeakPolarHBondContact O-CA 3.43Å; C77-R81 PolarHBondContact O-N 3.1Å |
| 82 | R | 90.6 | Very high | 85 | Confident | 93 Ų | 93 | 80.6 Ų | 80.6 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139.3 | -169.8 | -138.4 | 168.3 | 173.2 | -163.1 | 0.8 | 111.3 | C77 C80 | C77-R82 PolarHBondContact N-O 3.39Å; C77-R82 VanDerWaalsContact N-O 3.11Å; C77-R82 PolarHBondContact O-N 3.06Å; C80-R82 PolarHBondContact O-N 2.87Å |
| 83 | Y | 91.8 | Very high | 83.5 | Confident | 111 Ų | 111 | 79.2 Ų | 79.2 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 145.1 | 173.3 | -59.6 | -81.4 | 0 | 0 | 0 | 111.6 | R54 C63 Y64 H75 F76 | R54-Y83 PolarHBondContact NH1-O 2.84Å; C63-Y83 HydrophobicContact CB-CE1 4.29Å; Y64-Y83 HydrophobicContact CE1-CE1 4.31Å; H75-Y83 CarbonylContact O-C 3.59Å; H75-Y83 WeakPolarHBondContact O-CA 3.48Å; F76-Y83 HydrophobicContact CB-CD1 4Å; F76-Y83 HydrophobicContact CB-CE1 3.88Å; F76-Y83 AromaticContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD1 3.89Å; F76-Y83 HydrophobicContact CD2-CD2 4.44Å; F76-Y83 AromaticContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE1 3.61Å; F76-Y83 HydrophobicContact CD2-CE2 4.18Å; F76-Y83 HydrophobicContact CD2-CG 4.3Å; F76-Y83 AromaticContact CD2-CZ 3.76Å; F76-Y83 HydrophobicContact CG-CD1 4.46Å; F76-Y83 HydrophobicContact CG-CE1 4.16Å |
| 84 | W | 90 | Very high | 82.1 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 5% | 0.053 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 175 | 176 | 65.2 | -81.2 | 0 | 0 | 0 | 109.5 | V50 P53 T60 H75 K86 | V50-W84 HydrophobicContact CB-CH2 3.64Å; V50-W84 HydrophobicContact CB-CZ2 4.27Å; V50-W84 HydrophobicContact CG1-CH2 3.33Å; V50-W84 HydrophobicContact CG1-CZ2 4.32Å; V50-W84 HydrophobicContact CG1-CZ3 3.83Å; P53-W84 HydrophobicContact CG-CE3 4.26Å; T60-W84 HydrophobicContact CG2-CZ2 3.74Å; H75-W84 HydrophobicContact CB-CD2 4.01Å; H75-W84 HydrophobicContact CB-CH2 3.79Å; H75-W84 HydrophobicContact CB-CZ2 3.23Å; H75-W84 HydrophobicContact CB-CZ3 4.47Å; H75-W84 AromaticContact CD2-CH2 3.84Å; H75-W84 AromaticContact CD2-CZ2 3.79Å; H75-W84 AromaticContact CG-CH2 3.66Å; H75-W84 AromaticContact CG-CZ2 3.57Å; H75-W84 PolarHBondContact N-O 2.91Å; H75-W84 PolarHBondContact O-N 3.24Å; W84-K86 HydrophobicContact CH2-CB 4.48Å; W84-K86 HydrophobicContact CZ3-CB 4.09Å |
| 85 | T | 90.4 | Very high | 80.5 | Confident | 34 Ų | 34 | 86.7 Ų | 86.7 | 21% | 0.209 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.4 | -176.4 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | Q72 R74 | Q72-T85 HydrophobicContact CG-CG2 4.39Å; R74-T85 HydrophobicContact CG-CG2 4.02Å |
| 86 | K | 83.2 | Confident | 79 | Confident | 79 Ų | 79 | 89.1 Ų | 89.1 | 34% | 0.343 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -67.9 | 138.2 | 174 | -169.4 | 179.8 | -166.7 | 173 | 0 | 109.8 | E48 V50 W84 G88 | E48-K86 IonicContact OE1-NZ 2.65Å; E48-K86 PolarHBondContact OE1-NZ 3.11Å; E48-K86 IonicContact OE2-NZ 2.69Å; E48-K86 PolarHBondContact OE2-NZ 3.22Å; V50-K86 HydrophobicContact CG1-CD 4.1Å; V50-K86 HydrophobicContact CG1-CG 4.01Å; V50-K86 HydrophobicContact CG2-CD 3.87Å; W84-K86 HydrophobicContact CH2-CB 4.48Å; W84-K86 HydrophobicContact CZ3-CB 4.09Å; K86-G88 PolarHBondContact O-N 2.98Å |
| 87 | G | 79.2 | Confident | 77.5 | Confident | 88 Ų | 88 | 89.2 Ų | 89.2 | 91% | 0.907 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 69 | -16.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 88 | G | 76.3 | Confident | 76 | Confident | 39 Ų | 39 | 91.7 Ų | 91.7 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -74.1 | 139.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K86 L90 | K86-G88 PolarHBondContact O-N 2.98Å; G88-L90 PolarHBondContact O-N 2.96Å |
| 89 | V | 67.8 | Low | 74.4 | Confident | 129 Ų | 129 | 90.8 Ų | 90.8 | 78% | 0.782 | 54% | 0.543 | S | S | * | . | | | trans | -52.1 | 116.5 | 167.1 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | R91 | V89-R91 PolarHBondContact O-N 3.09Š|
| 90 | L | 70.8 | Confident | 72.9 | Confident | 51 Ų | 51 | 99.1 Ų | 99.1 | 27% | 0.267 | 56% | 0.564 | S | S | . | * | | | trans | -61.8 | 110.3 | 171.1 | -177.8 | 66.9 | 0 | 0 | 0 | 106.3 | R54 G88 N92 | R54-L90 HydrophobicContact CG-CD2 4.27Å; G88-L90 PolarHBondContact O-N 2.96Å; L90-N92 PolarHBondContact O-N 3.19Å |
| 91 | R | 73.7 | Confident | 71.4 | Confident | 199 Ų | 199 | 105.9 Ų | 105.9 | 75% | 0.751 | 59% | 0.588 | S | S | * | * | | | trans | -39.6 | 121.7 | 173.6 | -67.5 | -173.8 | -177 | 82.7 | -0.3 | 107.9 | V89 V93 | V89-R91 PolarHBondContact O-N 3.09Å; R91-V93 WeakPolarHBondContact O-CB 3.43Å; R91-V93 WeakPolarHBondContact O-CG2 3.18Å; R91-V93 PolarHBondContact O-N 3.31Å |
| 92 | N | 55.2 | Low | 70 | Confident | 162 Ų | 162 | 100 Ų | 100 | 87% | 0.866 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -48.8 | 97.3 | -166.2 | -69.4 | -38 | 0 | 0 | 0 | 111 | L90 | L90-N92 PolarHBondContact O-N 3.19Š|
| 93 | V | 54.9 | Low | 68.2 | Low | 44 Ų | 44 | 104.2 Ų | 104.2 | 27% | 0.267 | 61% | 0.605 | S | S | . | * | | | trans | -129.8 | 111.4 | -176 | 162.3 | 0 | 0 | 0 | 0 | 104.6 | R91 V95 | R91-V93 WeakPolarHBondContact O-CB 3.43Å; R91-V93 WeakPolarHBondContact O-CG2 3.18Å; R91-V93 PolarHBondContact O-N 3.31Å; V93-V95 PolarHBondContact O-N 3.14Å |
| 94 | P | 62.9 | Low | 66.6 | Low | 104 Ų | 104 | 110 Ų | 110 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | | | trans | -56.9 | 137 | -178.4 | 21.8 | -32.3 | 0 | 0 | 0 | 110.3 | G96 G97 | P94-G96 VanDerWaalsContact C-N 3.3Å; P94-G96 PolarHBondContact O-N 3.18Å; P94-G97 PolarHBondContact O-N 3.31Å; P94-G97 VanDerWaalsContact O-N 3.16Å |
| 95 | V | 59 | Low | 65.1 | Low | 132 Ų | 132 | 113.9 Ų | 113.9 | 80% | 0.8 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 89.7 | 179.2 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | V93 | V93-V95 PolarHBondContact O-N 3.14Š|
| 96 | G | 61.4 | Low | 63.3 | Low | 71 Ų | 71 | 116.1 Ų | 116.1 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.4 | -27.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P94 G98 | P94-G96 VanDerWaalsContact C-N 3.3Å; P94-G96 PolarHBondContact O-N 3.18Å; G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 2.9Å |
| 97 | G | 60 | Low | 62.1 | Low | 62 Ų | 62 | 118.2 Ų | 118.2 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 39 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | P94 | P94-G97 PolarHBondContact O-N 3.31Å; P94-G97 VanDerWaalsContact O-N 3.16Å |
| 98 | G | 63 | Low | 60.8 | Low | 52 Ų | 52 | 118.4 Ų | 118.4 | 54% | 0.536 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -139 | -24.5 | -162.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | G96 R100 | G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 2.9Å; G98-R100 PolarHBondContact O-N 2.83Å |
| 99 | C | 58.7 | Low | 59.7 | Low | 122 Ų | 122 | 121.4 Ų | 121.4 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | | | trans | -93.3 | 90.6 | -179.8 | -166.9 | 0 | 0 | 0 | 0 | 110.4 | K101 | C99-K101 PolarHBondContact O-N 2.85Š|
| 100 | R | 59.6 | Low | 59.1 | Low | 245 Ų | 245 | 119.7 Ų | 119.7 | 93% | 0.925 | 70% | 0.702 | S | S | * | * | | | trans | -66.2 | 91.2 | 162.2 | -68.8 | -172.9 | -176.1 | -172.1 | 1.4 | 107.6 | G98 A102 | G98-R100 PolarHBondContact O-N 2.83Å; R100-A102 PolarHBondContact O-N 2.78Å |
| 101 | K | 59.3 | Low | 58.2 | Low | 183 Ų | 183 | 121.6 Ų | 121.6 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | | | trans | -48.6 | 126 | 164.4 | 178.2 | 75.8 | 78.6 | 176.7 | 0 | 106.3 | C99 K103 | C99-K101 PolarHBondContact O-N 2.85Å; K101-K103 PolarHBondContact O-N 2.81Å; K101-K103 VanDerWaalsContact O-N 3.16Å |
| 102 | A | 62.5 | Low | 57.1 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | | | trans | -51.1 | 127.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | R100 R104 | R100-A102 PolarHBondContact O-N 2.78Å; A102-R104 PolarHBondContact O-N 2.92Å |
| 103 | K | 52.1 | Low | 56.9 | Low | 183 Ų | 183 | 114.5 Ų | 114.5 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | | | trans | -53.7 | 106 | 177.8 | -173.7 | -178.3 | -178.9 | -170.7 | 0 | 106.4 | K101 A105 | K101-K103 PolarHBondContact O-N 2.81Å; K101-K103 VanDerWaalsContact O-N 3.16Å; K103-A105 PolarHBondContact O-N 2.88Å |
| 104 | R | 59.4 | Low | 57 | Low | 233 Ų | 233 | 117 Ų | 117 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | | | trans | -50.8 | 134.7 | 164.4 | -76.6 | -166.7 | -177.5 | -154.4 | 4.1 | 105.2 | A102 S106 | A102-R104 PolarHBondContact O-N 2.92Å; R104-S106 PolarHBondContact O-N 3.12Å; R104-S106 VanDerWaalsContact O-N 3.12Å |
| 105 | A | 57.8 | Low | 56.7 | Low | 94 Ų | 94 | 117.7 Ų | 117.7 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | | | trans | -44.7 | 126.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | K103 | K103-A105 PolarHBondContact O-N 2.88Š|
| 106 | S | 52.3 | Low | 56.4 | Low | 82 Ų | 82 | 117.4 Ų | 117.4 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | | | trans | -54.1 | 126.2 | 175.8 | 40.7 | 0 | 0 | 0 | 0 | 107.1 | R104 S108 | R104-S106 PolarHBondContact O-N 3.12Å; R104-S106 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact O-N 2.73Å |
| 107 | P | 58.4 | Low | 56 | Low | 122 Ų | 122 | 118.9 Ų | 118.9 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | trans | -58 | 113.8 | 161.6 | 26.4 | -30.4 | 0 | 0 | 0 | 104.9 | A109 | P107-A109 PolarHBondContact O-N 3.01Š|
| 108 | S | 52.4 | Low | 55.8 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | -55.4 | 118.1 | 166.5 | 45.2 | 0 | 0 | 0 | 0 | 105.6 | S106 S110 | S106-S108 PolarHBondContact O-N 2.73Å; S108-S110 PolarHBondContact O-N 2.76Å |
| 109 | A | 52.7 | Low | 55.5 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -69.5 | 75.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | P107 A111 | P107-A109 PolarHBondContact O-N 3.01Å; A109-A111 PolarHBondContact O-N 3.46Å |
| 110 | S | 54.6 | Low | 55.3 | Low | 92 Ų | 92 | 124.1 Ų | 124.1 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | trans | -58.1 | 106.8 | 166.6 | -56.4 | 0 | 0 | 0 | 0 | 105.5 | S108 S112 | S108-S110 PolarHBondContact O-N 2.76Å; S110-S112 PolarHBondContact O-N 3.2Å |
| 111 | A | 52 | Low | 55.2 | Low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | -57.8 | 109.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | A109 A113 | A109-A111 PolarHBondContact O-N 3.46Å; A111-A113 PolarHBondContact O-N 3.36Å |
| 112 | S | 51.6 | Low | 55 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -72.7 | 62 | 169.9 | -54.9 | 0 | 0 | 0 | 0 | 110 | S110 S114 | S110-S112 PolarHBondContact O-N 3.2Å; S112-S114 PolarHBondContact O-N 3.48Å; S112-S114 VanDerWaalsContact O-N 3.13Å |
| 113 | A | 51.1 | Low | 54.5 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -84.3 | 63.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A111 | A111-A113 PolarHBondContact O-N 3.36Š|
| 114 | S | 55.4 | Low | 54.5 | Low | 96 Ų | 96 | 113 Ų | 113 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | trans | -120.6 | 113.1 | 175.2 | 52 | 0 | 0 | 0 | 0 | 108.9 | S112 | S112-S114 PolarHBondContact O-N 3.48Å; S112-S114 VanDerWaalsContact O-N 3.13Å |
| 115 | S | 57.9 | Low | 54.1 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -55.8 | 152.8 | -168 | -41.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 116 | P | 51.3 | Low | 53.5 | Low | 126 Ų | 126 | 107.7 Ų | 107.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | -140.9 | 120.2 | 123.8 | 34.4 | -20.1 | 0 | 0 | 0 | 113 | | |
| 117 | A | 54.4 | Low | 53.4 | Low | 102 Ų | 102 | 110 Ų | 110 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -153.4 | 74.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 118 | S | 55.4 | Low | 52.8 | Low | 113 Ų | 113 | 108.9 Ų | 108.9 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -88.5 | 111.6 | 171.3 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 119 | S | 57.5 | Low | 52.7 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | 176.1 | 130 | 138.9 | 32.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 120 | S | 53.2 | Low | 52.7 | Low | 121 Ų | 121 | 111.5 Ų | 111.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | 64.4 | 100.8 | 144.6 | -49.1 | 0 | 0 | 0 | 0 | 121 | | |
| 121 | A | 58.6 | Low | 52.6 | Low | 95 Ų | 95 | 111 Ų | 111 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -74.8 | 167.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 122 | P | 53.4 | Low | 53 | Low | 118 Ų | 118 | 116.4 Ų | 116.4 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | | -149.3 | 158.2 | 64.5 | 38.3 | -17.2 | 0 | 0 | 0 | 118.8 | | |
| 123 | S | 53.7 | Low | 53.1 | Low | 116 Ų | 116 | 117.9 Ų | 117.9 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | 58.8 | 116 | 142 | -54.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 124 | T | 51.6 | Low | 53.4 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -49.5 | 161.6 | 153.1 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 125 | P | 50.3 | Low | 53.1 | Low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | | -152.3 | 155.2 | 62 | 41 | -19 | 0 | 0 | 0 | 121.6 | | |
| 126 | A | 46.7 | Very low | 52.8 | Low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | 29.5 | 123.7 | 140.5 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 127 | S | 49.1 | Very low | 52.6 | Low | 131 Ų | 131 | 126.9 Ų | 126.9 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | | -160.4 | 139 | 121.3 | -80 | 0 | 0 | 0 | 0 | 109.6 | | |
| 128 | A | 46.8 | Very low | 52.4 | Low | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -128.2 | 127.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 129 | D | 50.3 | Low | 52.2 | Low | 167 Ų | 167 | 126.3 Ų | 126.3 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -154.1 | 159.3 | 163.8 | -134.4 | -44.2 | 0 | 0 | 0 | 114 | | |
| 130 | A | 51.1 | Low | 52.2 | Low | 83 Ų | 83 | 126.5 Ų | 126.5 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | -25.3 | 142.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 131 | A | 53.2 | Low | 52.2 | Low | 82 Ų | 82 | 126.8 Ų | 126.8 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | | 142.5 | 125.1 | 101.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 132 | K | 59.9 | Low | 52.1 | Low | 204 Ų | 204 | 134 Ų | 134 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | | | trans | 64.7 | 100.1 | 135.3 | -62 | 170.6 | -176.5 | 171.7 | 0 | 121.1 | | |
| 133 | N | 53.4 | Low | 52.2 | Low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | -31.6 | 169.4 | 136.5 | -155.1 | 28 | 0 | 0 | 0 | 114.6 | | |
| 134 | P | 57.2 | Low | 52.5 | Low | 90 Ų | 90 | 136.2 Ų | 136.2 | 58% | 0.584 | 80% | 0.8 | S | S | * | * | | | cis | -137.8 | 172.2 | 0.4 | 13.9 | 14.7 | 0 | 0 | 0 | 119 | | |
| 135 | R | 50.8 | Low | 52.4 | Low | 226 Ų | 226 | 135.8 Ų | 135.8 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | 45.7 | 132.2 | 142.4 | -59.9 | 167.5 | -163.6 | -83.4 | 3.1 | 121 | | |
| 136 | R | 50.2 | Low | 52.4 | Low | 233 Ų | 233 | 133.7 Ų | 133.7 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | | 157.9 | 136.7 | 107.5 | -172.9 | 174.3 | -154 | -90.5 | 2.4 | 113.8 | | |
| 137 | A | 48.7 | Very low | 52.5 | Low | 79 Ų | 79 | 135.4 Ų | 135.4 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | | | trans | 63.1 | 154.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 138 | S | 50.2 | Low | 52.5 | Low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | cis | -163.5 | 163.5 | -14.2 | -103.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 139 | A | 51.1 | Low | 52.7 | Low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | 61.5 | 111.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 140 | S | 56.7 | Low | 53 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | | 167.9 | 123.2 | 107.9 | -74.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 141 | P | 54.1 | Low | 52.7 | Low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -116.3 | 139 | 149.7 | 34.9 | -25.3 | 0 | 0 | 0 | 110.7 | | |
| 142 | R | 56.3 | Low | 52.4 | Low | 246 Ų | 246 | 135.2 Ų | 135.2 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | | | trans | -124.8 | 112.8 | 173.9 | -89.7 | -179.4 | 155.1 | -115.8 | -1.1 | 110.8 | | |
| 143 | S | 54.4 | Low | 51.8 | Low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -71.8 | 150.6 | 167.5 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 144 | N | 60.7 | Low | 51.4 | Low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -132.5 | 108.8 | 172 | -152.2 | 77.5 | 0 | 0 | 0 | 110.2 | | |
| 145 | S | 48.3 | Very low | 50.9 | Low | 125 Ų | 125 | 128.4 Ų | 128.4 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -128.7 | 129.4 | 166.8 | -63.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 146 | G | 50.9 | Low | 50.8 | Low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -158.1 | 107 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 147 | S | 49.8 | Very low | 50.9 | Low | 129 Ų | 129 | 119.4 Ų | 119.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -86.7 | 142 | 179.4 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 148 | A | 47.7 | Very low | 50.8 | Low | 103 Ų | 103 | 120.7 Ų | 120.7 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -165.5 | 139 | 149.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 149 | S | 51.5 | Low | 50.8 | Low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -108.6 | -163.1 | 175.6 | -50.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 150 | P | 56.4 | Low | 50.5 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | | | | -129.9 | -166.9 | -61.8 | 29.7 | -9.4 | 0 | 0 | 0 | 113.2 | | |
| 151 | T | 46.5 | Very low | 50.3 | Low | 136 Ų | 136 | 124.9 Ų | 124.9 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | | | trans | 89.1 | 112.1 | 147.1 | -1.1 | 0 | 0 | 0 | 0 | 122 | | |
| 152 | A | 46.6 | Very low | 49.8 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | | | trans | -176.4 | 123.9 | 142.1 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 153 | A | 46.4 | Very low | 49.6 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | | 57.5 | 131.2 | 82.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 154 | A | 44.7 | Very low | 49.1 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | cis | -156.9 | -174.9 | -3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 155 | A | 46.5 | Very low | 48.3 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -49.1 | 155.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 156 | T | 48.6 | Very low | 48.1 | Very low | 142 Ų | 142 | 115.6 Ų | 115.6 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | | -165.7 | 138.3 | 117.1 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 157 | T | 52 | Low | 47.9 | Very low | 129 Ų | 129 | 115.8 Ų | 115.8 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -113.3 | -168.5 | 175.7 | 43.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 158 | P | 48 | Very low | 48 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | | -125.8 | -178.5 | -66.6 | 37.9 | -22.6 | 0 | 0 | 0 | 112 | | |
| 159 | T | 49.5 | Very low | 48 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | | 163.7 | 152.3 | 127 | 36.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 160 | P | 45.4 | Very low | 47.6 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -114.2 | 165.5 | 178.7 | 41.3 | -31.9 | 0 | 0 | 0 | 114.5 | | |
| 161 | T | 52.2 | Low | 47.2 | Very low | 149 Ų | 149 | 117.1 Ų | 117.1 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | | | trans | -139.7 | 147.8 | 164 | 37.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 162 | D | 42.7 | Very low | 47.5 | Very low | 150 Ų | 150 | 118.9 Ų | 118.9 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -141.1 | -159.8 | -169 | -162.5 | 16.5 | 0 | 0 | 0 | 109.3 | | |
| 163 | P | 53.2 | Low | 47.3 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | | | | -103.2 | -179.3 | -101.7 | 32.3 | -17.3 | 0 | 0 | 0 | 115.7 | | |
| 164 | S | 43.8 | Very low | 47.4 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | | 157.5 | 158.4 | 121.8 | -176.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 165 | T | 44.7 | Very low | 47.2 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 83.2 | 137 | 152.5 | -24.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 166 | S | 44.2 | Very low | 47.1 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | cis | -168.7 | 175.1 | -26.8 | -92.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 167 | A | 45 | Very low | 46.8 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | 86.2 | 89.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 168 | T | 52.7 | Low | 46.2 | Very low | 140 Ų | 140 | 122 Ų | 122 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | | 61.8 | 157.7 | 116.2 | 44.4 | 0 | 0 | 0 | 0 | 123.6 | | |
| 169 | P | 47.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | | | trans | -116.6 | 178.2 | -145.9 | 43.9 | -35.5 | 0 | 0 | 0 | 116 | | |
| 170 | S | 43.8 | Very low | 45.9 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | | | trans | -149.4 | 151.8 | 153.9 | -88.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 171 | S | 47.5 | Very low | 46 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -80.2 | 154.9 | -170.2 | -44.9 | 0 | 0 | 0 | 0 | 113 | | |
| 172 | N | 52 | Low | 45.5 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | | | trans | -153.1 | 115.2 | 147.7 | -93.6 | -38.3 | 0 | 0 | 0 | 109.1 | | |
| 173 | G | 42.4 | Very low | 45.9 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -101.7 | 138.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 174 | V | 49.5 | Very low | 45.4 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | | | trans | -128 | 120.3 | 166.8 | -74.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 175 | A | 40.2 | Very low | 46 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -83.8 | 142.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 176 | F | 42.8 | Very low | 45.7 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | | | trans | -135.6 | 112.6 | 161.6 | -158.7 | -95.9 | 0 | 0 | 0 | 110.2 | | |
| 177 | T | 42.9 | Very low | 45.8 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | -81.7 | 135.5 | 169.8 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 178 | G | 39.5 | Very low | 45.6 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -175.6 | 90.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 179 | S | 42 | Very low | 45.6 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -63.4 | 162.3 | 163.8 | -54.5 | 0 | 0 | 0 | 0 | 111 | | |
| 180 | H | 49.5 | Very low | 45.2 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | 163.5 | 137.7 | 131.4 | -85.9 | -63.9 | 0 | 0 | 0 | 111.9 | | |
| 181 | H | 46.6 | Very low | 45.3 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | 54.3 | 114.3 | 168.1 | -76.2 | -92.3 | 0 | 0 | 0 | 118.7 | | |
| 182 | S | 43.1 | Very low | 45.1 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | cis | 78.1 | 97.5 | 37 | -160.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 183 | S | 50.9 | Low | 44.8 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -167 | 113.1 | 149 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 184 | N | 42.6 | Very low | 45.5 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -119.3 | 131.5 | 166.1 | -82.6 | -5.2 | 0 | 0 | 0 | 108.8 | | |
| 185 | P | 56.7 | Low | 46.3 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -97.4 | 124.2 | 149.6 | 33.6 | -25.2 | 0 | 0 | 0 | 108.3 | | |
| 186 | F | 38.9 | Very low | 47.7 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | | 48 | 114.5 | 75.9 | -146.8 | -105.3 | 0 | 0 | 0 | 111 | | |
| 187 | S | 45.1 | Very low | 48.7 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | | | | -157.6 | 152.7 | 54.6 | -45.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 188 | T | 42 | Very low | 50 | Low | 127 Ų | 127 | 123.1 Ų | 123.1 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -66.7 | 131.9 | 161.1 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 189 | I | 51.7 | Low | 51.2 | Low | 149 Ų | 149 | 127.3 Ų | 127.3 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -131 | 119 | 155.1 | -66.9 | -178.3 | 0 | 0 | 0 | 107.3 | V191 | I189-V191 HydrophobicContact CG2-CG2 3.93Š|
| 190 | D | 39.7 | Very low | 51.9 | Low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -102.7 | 106 | 176.3 | -158.6 | -40.3 | 0 | 0 | 0 | 107.5 | | |
| 191 | V | 46.6 | Very low | 52.2 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | -142.7 | 113.7 | 171.1 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | I189 A193 | I189-V191 HydrophobicContact CG2-CG2 3.93Å; V191-A193 PolarHBondContact O-N 2.65Å |
| 192 | A | 43.3 | Very low | 52.8 | Low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -64.4 | 115 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 193 | A | 45.6 | Very low | 53.5 | Low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | -143.7 | 125.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V191 | V191-A193 PolarHBondContact O-N 2.65Š|
| 194 | A | 56.4 | Low | 53.7 | Low | 93 Ų | 93 | 124.3 Ų | 124.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 195 | P | 66.1 | Low | 54.5 | Low | 120 Ų | 120 | 119.6 Ų | 119.6 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 136.5 | 179.1 | 27.2 | -34.2 | 0 | 0 | 0 | 111 | | |
| 196 | P | 69 | Low | 54.6 | Low | 125 Ų | 125 | 117.4 Ų | 117.4 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.2 | 175.9 | 28.1 | -34.2 | 0 | 0 | 0 | 111.2 | | |
| 197 | A | 65.7 | Low | 55.5 | Low | 81 Ų | 81 | 113.8 Ų | 113.8 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 147 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I199 | A197-I199 PolarHBondContact O-N 2.69Å; A197-I199 VanDerWaalsContact O-N 3.12Å |
| 198 | P | 68.5 | Low | 56.2 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | | | trans | -71.9 | 105.9 | -179.2 | 28.7 | -34.5 | 0 | 0 | 0 | 112 | F200 | P198-F200 PolarHBondContact O-N 3.09Š|
| 199 | I | 65.1 | Low | 57.2 | Low | 158 Ų | 158 | 111.2 Ų | 111.2 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | | | trans | -76.1 | 31.9 | 178.1 | 52.5 | 172.2 | 0 | 0 | 0 | 114.7 | A197 | A197-I199 PolarHBondContact O-N 2.69Å; A197-I199 VanDerWaalsContact O-N 3.12Å |
| 200 | F | 56.4 | Low | 57.9 | Low | 169 Ų | 169 | 110.6 Ų | 110.6 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | | | trans | -128.4 | 64.3 | 178.8 | -86 | -84.4 | 0 | 0 | 0 | 111.8 | P198 | P198-F200 PolarHBondContact O-N 3.09Š|
| 201 | A | 57 | Low | 59.5 | Low | 96 Ų | 96 | 112.4 Ų | 112.4 | 79% | 0.793 | 71% | 0.712 | S | S | * | * | | | trans | -98.8 | -10.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 202 | D | 58.1 | Low | 60.5 | Low | 143 Ų | 143 | 110 Ų | 110 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -98.3 | -17.2 | -162.7 | -163.5 | 52.8 | 0 | 0 | 0 | 115.6 | A204 | D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 3.29Å |
| 203 | Q | 57.4 | Low | 62.1 | Low | 135 Ų | 135 | 110.5 Ų | 110.5 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -83 | -4.2 | -172.5 | -58.9 | -157.2 | 4.5 | 0 | 0 | 115.1 | | |
| 204 | A | 56.4 | Low | 63.7 | Low | 76 Ų | 76 | 112 Ų | 112 | 63% | 0.628 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.2 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D202 L207 A208 | D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 3.29Å; A204-L207 PolarHBondContact O-N 2.9Å; A204-A208 PolarHBondContact O-N 3Å |
| 205 | A | 59 | Low | 64.9 | Low | 68 Ų | 68 | 113 Ų | 113 | 56% | 0.562 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -67 | -39.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L207 A208 | A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 2.84Å; A205-A208 PolarHBondContact O-N 3.42Å |
| 206 | A | 58.4 | Low | 65.6 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -64.9 | -29.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 207 | L | 57.5 | Low | 66.1 | Low | 113 Ų | 113 | 112 Ų | 112 | 59% | 0.592 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -84.8 | -24.1 | 177.3 | -62 | -179.4 | 0 | 0 | 0 | 113 | A204 A205 S209 L210 | A204-L207 PolarHBondContact O-N 2.9Å; A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 2.84Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.21Å; L207-L210 HydrophobicContact CD2-CD1 4.26Å; L207-L210 PolarHBondContact O-N 2.8Å |
| 208 | A | 60.6 | Low | 66.6 | Low | 65 Ų | 65 | 114.4 Ų | 114.4 | 54% | 0.537 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -63.6 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A204 A205 L210 F211 A212 | A204-A208 PolarHBondContact O-N 3Å; A205-A208 PolarHBondContact O-N 3.42Å; A208-L210 PolarHBondContact O-N 3.28Å; A208-F211 PolarHBondContact O-N 3.48Å; A208-A212 PolarHBondContact O-N 2.61Å |
| 209 | S | 63.4 | Low | 66.8 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -18.7 | 178 | -59 | 0 | 0 | 0 | 0 | 114.5 | L207 | L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.21Å |
| 210 | L | 66.6 | Low | 67 | Low | 136 Ų | 136 | 113 Ų | 113 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -15.8 | 176 | -86.3 | 158.9 | 0 | 0 | 0 | 113.7 | L207 A208 | L207-L210 HydrophobicContact CD2-CD1 4.26Å; L207-L210 PolarHBondContact O-N 2.8Å; A208-L210 PolarHBondContact O-N 3.28Å |
| 211 | F | 72.1 | Confident | 67.3 | Low | 186 Ų | 186 | 110.9 Ų | 110.9 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -116.7 | 6.5 | 179.2 | -73.4 | -84 | 0 | 0 | 0 | 113.5 | A208 | A208-F211 PolarHBondContact O-N 3.48Š|
| 212 | A | 68.4 | Low | 67.1 | Low | 66 Ų | 66 | 115.6 Ų | 115.6 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -64 | 123.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A208 | A208-A212 PolarHBondContact O-N 2.61Š|
| 213 | P | 76.3 | Confident | 67 | Low | 114 Ų | 114 | 113.8 Ų | 113.8 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 143.8 | 175 | 27.6 | -33.6 | 0 | 0 | 0 | 109.9 | | |
| 214 | P | 80.1 | Confident | 66.5 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.1 | 175.2 | 27.4 | -34.3 | 0 | 0 | 0 | 110.2 | | |
| 215 | P | 81.2 | Confident | 65.9 | Low | 116 Ų | 116 | 117.1 Ų | 117.1 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 145.2 | 176.4 | 26.9 | -34.3 | 0 | 0 | 0 | 110.5 | | |
| 216 | P | 80.5 | Confident | 65.1 | Low | 115 Ų | 115 | 118.6 Ų | 118.6 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.7 | 176.4 | 27.7 | -34.5 | 0 | 0 | 0 | 110.6 | | |
| 217 | P | 79.5 | Confident | 64.3 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -63 | 148.8 | 174.2 | 28 | -34.7 | 0 | 0 | 0 | 110.6 | L219 | P217-L219 PolarHBondContact O-N 2.84Š|
| 218 | P | 76.9 | Confident | 63.8 | Low | 130 Ų | 130 | 122.8 Ų | 122.8 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.5 | 177.5 | 26.5 | -33.8 | 0 | 0 | 0 | 110.1 | | |
| 219 | L | 71.7 | Confident | 62.9 | Low | 151 Ų | 151 | 125 Ų | 125 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 144.9 | 170.5 | -63.7 | 177.3 | 0 | 0 | 0 | 109.6 | P217 V221 | P217-L219 PolarHBondContact O-N 2.84Å; L219-V221 PolarHBondContact O-N 3.43Å; L219-V221 VanDerWaalsContact O-N 3.07Å |
| 220 | P | 70.5 | Confident | 62 | Low | 101 Ų | 101 | 129.2 Ų | 129.2 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | trans | -63.4 | 113.7 | 175.3 | 26.1 | -33.3 | 0 | 0 | 0 | 109.9 | F222 | P220-F222 HydrophobicContact CB-CE2 4.39Å; P220-F222 HydrophobicContact CG-CE2 4.38Å; P220-F222 PolarHBondContact O-N 3.08Å; P220-F222 VanDerWaalsContact O-N 3.07Å |
| 221 | V | 61 | Low | 61.1 | Low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | -70.5 | 100.8 | 170.3 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | L219 S223 | L219-V221 PolarHBondContact O-N 3.43Å; L219-V221 VanDerWaalsContact O-N 3.07Å; V221-S223 VanDerWaalsContact C-N 3.26Å; V221-S223 PolarHBondContact O-N 3.5Å |
| 222 | F | 53.5 | Low | 59.8 | Low | 194 Ų | 194 | 131.2 Ų | 131.2 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | -75.1 | 83.9 | 164.7 | -83.1 | -79.9 | 0 | 0 | 0 | 109.5 | P220 F224 | P220-F222 HydrophobicContact CB-CE2 4.39Å; P220-F222 HydrophobicContact CG-CE2 4.38Å; P220-F222 PolarHBondContact O-N 3.08Å; P220-F222 VanDerWaalsContact O-N 3.07Å; F222-F224 PolarHBondContact O-N 2.83Å; F222-F224 VanDerWaalsContact O-N 3.11Å |
| 223 | S | 56.5 | Low | 58.6 | Low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -70 | 96.1 | 164.1 | -67.8 | 0 | 0 | 0 | 0 | 109.2 | V221 A225 | V221-S223 VanDerWaalsContact C-N 3.26Å; V221-S223 PolarHBondContact O-N 3.5Å; S223-A225 PolarHBondContact O-N 3.4Å |
| 224 | F | 45.6 | Very low | 56.9 | Low | 201 Ų | 201 | 135.5 Ų | 135.5 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | -84 | 106.2 | 160 | -156.8 | -94.7 | 0 | 0 | 0 | 108.5 | F222 | F222-F224 PolarHBondContact O-N 2.83Å; F222-F224 VanDerWaalsContact O-N 3.11Å |
| 225 | A | 45.6 | Very low | 55.4 | Low | 81 Ų | 81 | 136.3 Ų | 136.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | trans | -70.2 | 152.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S223 | S223-A225 PolarHBondContact O-N 3.4Š|
| 226 | A | 40.8 | Very low | 53.8 | Low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -65.5 | 138.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 227 | A | 42.6 | Very low | 52 | Low | 97 Ų | 97 | 138.1 Ų | 138.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -129.8 | 137.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 228 | Q | 46.8 | Very low | 50.5 | Low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -83.6 | 162.5 | -166.4 | -75.9 | -77.9 | -24.9 | 0 | 0 | 112.9 | | |
| 229 | P | 42.2 | Very low | 49 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -88 | 159.1 | -165.1 | 35.7 | -35.9 | 0 | 0 | 0 | 113.9 | | |
| 230 | K | 43.3 | Very low | 47.8 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -150.4 | 110.6 | 155.3 | -164.7 | 169.4 | -178.4 | 179.6 | 0 | 112.7 | | |
| 231 | E | 47.7 | Very low | 46.5 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -9.1 | 124.8 | 148.3 | -52.1 | 161.4 | 134.2 | 0 | 0 | 116.9 | | |
| 232 | E | 45.6 | Very low | 46 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -169.1 | 129.3 | 130.8 | -155.9 | 145.9 | 83.2 | 0 | 0 | 112.7 | | |
| 233 | E | 42.5 | Very low | 46 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | 32.9 | 146.3 | 153.5 | -140.5 | 146.6 | 103.1 | 0 | 0 | 125.5 | | |
| 234 | A | 41.1 | Very low | 45.7 | Very low | 82 Ų | 82 | 149.8 Ų | 149.8 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | | | trans | -93.7 | 171.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 235 | P | 48.9 | Very low | 45.6 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | | -152.3 | -174.4 | 89.2 | 38.7 | -18.4 | 0 | 0 | 0 | 116.1 | | |
| 236 | T | 47.1 | Very low | 45.7 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | -99.3 | 149.2 | -168 | 51.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 237 | N | 43.4 | Very low | 46.1 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | | | trans | 38.6 | 113.5 | 145.1 | -65.4 | -44.4 | 0 | 0 | 0 | 120 | | |
| 238 | S | 47.8 | Very low | 46.3 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | | 167.3 | 119.4 | 107.7 | -73.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 239 | E | 44.1 | Very low | 46.4 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | trans | -149.7 | 93.7 | 155.2 | -161.9 | 118.4 | 92.7 | 0 | 0 | 109.4 | | |
| 240 | L | 47.7 | Very low | 47 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | -95 | 145.3 | 164 | -169.3 | 157.8 | 0 | 0 | 0 | 106.3 | | |
| 241 | Q | 43.7 | Very low | 47.1 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | 102 | 138.6 | 163.4 | -136.5 | 170.5 | 37.9 | 0 | 0 | 116.5 | | |
| 242 | Q | 49.4 | Very low | 47.1 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | | | trans | 76.9 | 102.9 | 166.4 | -46.4 | -178.6 | 25.1 | 0 | 0 | 117.4 | | |
| 243 | H | 54.3 | Low | 47 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 93% | 0.931 | 81% | 0.806 | S | S | * | * | | | | -159 | 123.9 | 115.2 | -102.1 | -163.3 | 0 | 0 | 0 | 110.5 | | |
| 244 | L | 48.7 | Very low | 47.1 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | | | trans | -131.6 | 119.3 | -172.6 | 172.5 | 87.2 | 0 | 0 | 0 | 107.3 | | |
| 245 | A | 44.7 | Very low | 47.3 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -178.3 | 132.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 246 | A | 47.7 | Very low | 47.2 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | trans | 63.4 | 148 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 247 | Q | 49.6 | Very low | 47.1 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | cis | -135.1 | 174.6 | 4.6 | -50.8 | 167.2 | 31.7 | 0 | 0 | 107.5 | | |
| 248 | A | 45.3 | Very low | 47.4 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | cis | -147.1 | -157.4 | 5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 249 | A | 50.4 | Low | 47.5 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -154.2 | -164.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 250 | P | 54.7 | Low | 47.9 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | cis | -127.2 | -179.9 | -49.8 | 30.2 | -12.4 | 0 | 0 | 0 | 112.3 | | |
| 251 | S | 45.7 | Very low | 48 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -173.8 | 128.4 | 141 | -82.4 | 0 | 0 | 0 | 0 | 114 | | |
| 252 | S | 46.3 | Very low | 48 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | 21.3 | 118.6 | 153.4 | 56.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 253 | S | 43.7 | Very low | 47.6 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | | 77.8 | 105.7 | 52.6 | 78.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 254 | V | 46.1 | Very low | 46.9 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | | | trans | -157 | 151 | 144 | -93 | 0 | 0 | 0 | 0 | 108.7 | | |
| 255 | S | 45.1 | Very low | 46.9 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -100 | 166.6 | -161.9 | -52.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 256 | E | 45.5 | Very low | 46.8 | Very low | 171 Ų | 171 | 129 Ų | 129 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | 41.1 | 120.2 | 140.8 | -65 | 160.9 | 130.4 | 0 | 0 | 117.6 | | |
| 257 | D | 45.8 | Very low | 46.5 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | | -169.3 | 149.9 | 78.6 | -116 | -41.6 | 0 | 0 | 0 | 114.7 | | |
| 258 | I | 50.3 | Low | 46.4 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | | | trans | 42.6 | 137.2 | 139.7 | -70.2 | 165.1 | 0 | 0 | 0 | 122.7 | | |
| 259 | M | 48 | Very low | 46 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | 99.2 | 101.6 | 152.7 | -132.5 | 73.4 | 152.6 | 0 | 0 | 120.4 | | |
| 260 | A | 52.4 | Low | 46 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | | | trans | 50.4 | 133.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | F262 | A260-F262 PolarHBondContact O-N 3.37Š|
| 261 | P | 51.1 | Low | 45.6 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130.6 | 165.4 | 31.5 | -32.6 | 0 | 0 | 0 | 110.4 | A263 | P261-A263 PolarHBondContact O-N 2.93Š|
| 262 | F | 42.6 | Very low | 45.8 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117.1 | 174.9 | 55.1 | -82.2 | 0 | 0 | 0 | 110.5 | A260 | A260-F262 PolarHBondContact O-N 3.37Š|
| 263 | A | 41.6 | Very low | 46 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 160.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P261 | P261-A263 PolarHBondContact O-N 2.93Š|
| 264 | S | 39.8 | Very low | 46 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | 82.8 | 88.2 | 171.1 | -166.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 265 | L | 48.1 | Very low | 46.1 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -169.3 | 135.9 | 138.8 | -127.3 | 66.8 | 0 | 0 | 0 | 106.3 | | |
| 266 | D | 43.6 | Very low | 46.5 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | cis | -146.5 | -171.5 | -8 | -152.1 | -93.6 | 0 | 0 | 0 | 109.6 | | |
| 267 | A | 41.2 | Very low | 46.9 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | trans | -80.2 | 179.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 268 | A | 47.8 | Very low | 47.3 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | 70.9 | 60.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | I270 | A268-I270 PolarHBondContact O-N 2.97Š|
| 269 | G | 35.6 | Very low | 47.4 | Very low | 90 Ų | 90 | 120 Ų | 120 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | | | trans | -63.8 | 99.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 270 | I | 50.9 | Low | 47.8 | Very low | 161 Ų | 161 | 114.7 Ų | 114.7 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | | | trans | -124.7 | 74 | 177.8 | -145.1 | 167.9 | 0 | 0 | 0 | 110.6 | A268 | A268-I270 PolarHBondContact O-N 2.97Š|
| 271 | F | 46.6 | Very low | 48 | Very low | 183 Ų | 183 | 113.6 Ų | 113.6 | 80% | 0.803 | 72% | 0.723 | S | S | * | * | | | trans | -145.5 | 67 | 161.2 | -148.3 | -89.2 | 0 | 0 | 0 | 109.2 | L273 | F271-L273 HydrophobicContact CD1-CD1 4.42Å; F271-L273 HydrophobicContact CE1-CD1 4.39Å; F271-L273 PolarHBondContact O-N 3.02Å |
| 272 | E | 49.8 | Very low | 47.9 | Very low | 190 Ų | 190 | 116.4 Ų | 116.4 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | | | trans | -62.1 | 119.6 | 171.6 | -162.8 | 179.4 | 133.2 | 0 | 0 | 108.2 | G274 | E272-G274 VanDerWaalsContact C-N 3.27Å; E272-G274 PolarHBondContact O-N 2.83Å |
| 273 | L | 50.8 | Low | 48.6 | Very low | 154 Ų | 154 | 116.6 Ų | 116.6 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | | | trans | -77 | 81 | -170.1 | -159.4 | 73 | 0 | 0 | 0 | 109.5 | F271 D275 | F271-L273 HydrophobicContact CD1-CD1 4.42Å; F271-L273 HydrophobicContact CE1-CD1 4.39Å; F271-L273 PolarHBondContact O-N 3.02Å; L273-D275 PolarHBondContact O-N 3.03Å |
| 274 | G | 42.7 | Very low | 49.5 | Very low | 66 Ų | 66 | 117.2 Ų | 117.2 | 68% | 0.68 | 71% | 0.713 | S | S | * | * | | | trans | -52.2 | 124 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E272 | E272-G274 VanDerWaalsContact C-N 3.27Å; E272-G274 PolarHBondContact O-N 2.83Å |
| 275 | D | 48.3 | Very low | 50.1 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | trans | -46.1 | 132.3 | -171.3 | -161.7 | -68.5 | 0 | 0 | 0 | 114.5 | L273 A277 S278 | L273-D275 PolarHBondContact O-N 3.03Å; D275-A277 PolarHBondContact O-N 2.89Å; D275-A277 VanDerWaalsContact OD1-CB 3.28Å; D275-A277 WeakPolarHBondContact OD1-CB 3.37Å; D275-A277 PolarHBondContact OD1-N 3.38Å; D275-S278 WeakPolarHBondContact O-CB 3.34Å; D275-S278 PolarHBondContact O-N 3.49Å |
| 276 | A | 53.9 | Low | 50 | Low | 88 Ų | 88 | 111.6 Ų | 111.6 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -60.1 | -20.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S278 | A276-S278 VanDerWaalsContact C-N 3.31Å; A276-S278 PolarHBondContact O-N 3.1Å |
| 277 | A | 54.7 | Low | 50.3 | Low | 67 Ų | 67 | 109.1 Ų | 109.1 | 55% | 0.554 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66.6 | -30.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D275 A280 A281 | D275-A277 PolarHBondContact O-N 2.89Å; D275-A277 VanDerWaalsContact OD1-CB 3.28Å; D275-A277 WeakPolarHBondContact OD1-CB 3.37Å; D275-A277 PolarHBondContact OD1-N 3.38Å; A277-A280 PolarHBondContact O-N 2.79Å; A277-A281 PolarHBondContact O-N 3.25Å |
| 278 | S | 54.4 | Low | 50.7 | Low | 84 Ų | 84 | 110.6 Ų | 110.6 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.2 | -36.7 | -177.9 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | D275 A276 A280 A281 Y282 | D275-S278 WeakPolarHBondContact O-CB 3.34Å; D275-S278 PolarHBondContact O-N 3.49Å; A276-S278 VanDerWaalsContact C-N 3.31Å; A276-S278 PolarHBondContact O-N 3.1Å; S278-A280 VanDerWaalsContact C-N 3.33Å; S278-A280 PolarHBondContact O-N 3.29Å; S278-A281 PolarHBondContact O-N 3.34Å; S278-Y282 PolarHBondContact O-N 3.41Å; S278-Y282 VanDerWaalsContact O-N 3.14Å |
| 279 | A | 51.1 | Low | 50.9 | Low | 60 Ų | 60 | 116 Ų | 116 | 50% | 0.496 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -60.5 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y282 | A279-Y282 PolarHBondContact O-N 2.87Å |
| 280 | A | 56.1 | Low | 51.6 | Low | 62 Ų | 62 | 116 Ų | 116 | 51% | 0.512 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -68.3 | -33.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A277 S278 S284 | A277-A280 PolarHBondContact O-N 2.79Å; S278-A280 VanDerWaalsContact C-N 3.33Å; S278-A280 PolarHBondContact O-N 3.29Å; A280-S284 PolarHBondContact O-OG 2.96Å |
| 281 | A | 56.7 | Low | 51.5 | Low | 59 Ų | 59 | 115 Ų | 115 | 49% | 0.488 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -66.8 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A277 S278 W283 S284 A285 | A277-A281 PolarHBondContact O-N 3.25Å; S278-A281 PolarHBondContact O-N 3.34Å; A281-W283 VanDerWaalsContact C-N 3.35Å; A281-W283 PolarHBondContact O-N 3.14Å; A281-S284 PolarHBondContact O-N 2.92Å; A281-S284 VanDerWaalsContact O-N 3.1Å; A281-A285 PolarHBondContact O-N 3.06Å |
| 282 | Y | 50.6 | Low | 51.7 | Low | 184 Ų | 184 | 112.6 Ų | 112.6 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -59.1 | -38.9 | 179.1 | 174.2 | -101.4 | 0 | 0 | 0 | 113.7 | S278 A279 S284 | S278-Y282 PolarHBondContact O-N 3.41Å; S278-Y282 VanDerWaalsContact O-N 3.14Å; A279-Y282 PolarHBondContact O-N 2.87Å; Y282-S284 VanDerWaalsContact C-N 3.31Å; Y282-S284 PolarHBondContact O-N 2.95Å |
| 283 | W | 56.3 | Low | 51.7 | Low | 202 Ų | 202 | 111.4 Ų | 111.4 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75.2 | -19.7 | 177.4 | -68.1 | 96.6 | 0 | 0 | 0 | 113.8 | A281 | A281-W283 VanDerWaalsContact C-N 3.35Å; A281-W283 PolarHBondContact O-N 3.14Å |
| 284 | S | 60 | Low | 51.7 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -91.7 | -19.8 | -171.4 | -57.4 | 0 | 0 | 0 | 0 | 113.5 | A280 A281 Y282 | A280-S284 PolarHBondContact O-OG 2.96Å; A281-S284 PolarHBondContact O-N 2.92Å; A281-S284 VanDerWaalsContact O-N 3.1Å; Y282-S284 VanDerWaalsContact C-N 3.31Å; Y282-S284 PolarHBondContact O-N 2.95Å |
| 285 | A | 53.1 | Low | 52.5 | Low | 88 Ų | 88 | 111.4 Ų | 111.4 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -112.9 | 84.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A281 | A281-A285 PolarHBondContact O-N 3.06Š|
| 286 | G | 46.6 | Very low | 53.3 | Low | 66 Ų | 66 | 110.1 Ų | 110.1 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | | | trans | 153.4 | -10.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | C288 | G286-C288 PolarHBondContact O-N 3.49Š|
| 287 | S | 49.2 | Very low | 53.9 | Low | 90 Ų | 90 | 113 Ų | 113 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | | | trans | -80.9 | 83.6 | -178 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | W289 | S287-W289 PolarHBondContact O-N 2.95Š|
| 288 | C | 50.3 | Low | 54.1 | Low | 116 Ų | 116 | 120 Ų | 120 | 78% | 0.784 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 36.8 | 172.7 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | G286 | G286-C288 PolarHBondContact O-N 3.49Š|
| 289 | W | 50.3 | Low | 54.5 | Low | 204 Ų | 204 | 123.7 Ų | 123.7 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 7.1 | -178.8 | -62.3 | 88.1 | 0 | 0 | 0 | 113 | S287 D291 | S287-W289 PolarHBondContact O-N 2.95Å; W289-D291 VanDerWaalsContact C-N 3.34Å; W289-D291 PolarHBondContact O-N 3.32Å |
| 290 | A | 52 | Low | 55.2 | Low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | trans | -91.5 | 17.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 291 | D | 47.8 | Very low | 55.1 | Low | 139 Ų | 139 | 133.5 Ų | 133.5 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | -123.7 | 64.9 | 178.2 | -166.3 | 28.3 | 0 | 0 | 0 | 110.9 | W289 | W289-D291 VanDerWaalsContact C-N 3.34Å; W289-D291 PolarHBondContact O-N 3.32Å |
| 292 | V | 51 | Low | 55.1 | Low | 133 Ų | 133 | 137.4 Ų | 137.4 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | -131.1 | 78.5 | 159.7 | -177.6 | 0 | 0 | 0 | 0 | 106.6 | D294 | V292-D294 VanDerWaalsContact C-N 3.34Å; V292-D294 PolarHBondContact O-N 3.22Å; V292-D294 VanDerWaalsContact O-N 3.08Å |
| 293 | Q | 49.1 | Very low | 55.3 | Low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -84 | 66.7 | -172.1 | -155.4 | 78.8 | -7.7 | 0 | 0 | 111.7 | | |
| 294 | D | 50.5 | Low | 55.3 | Low | 86 Ų | 86 | 130.8 Ų | 130.8 | 46% | 0.46 | 77% | 0.769 | S | S | . | * | | | trans | -152.6 | 100.4 | 164.5 | -157.9 | -16.8 | 0 | 0 | 0 | 114.7 | V292 S296 | V292-D294 VanDerWaalsContact C-N 3.34Å; V292-D294 PolarHBondContact O-N 3.22Å; V292-D294 VanDerWaalsContact O-N 3.08Å; D294-S296 VanDerWaalsContact C-N 3.27Å; D294-S296 VanDerWaalsContact CG-OG 3.23Å; D294-S296 PolarHBondContact O-N 2.9Å; D294-S296 WeakPolarHBondContact OD1-CB 3.28Å; D294-S296 PolarHBondContact OD1-N 2.77Å; D294-S296 PolarHBondContact OD1-OG 2.89Å; D294-S296 PolarHBondContact OD2-OG 2.76Å |
| 295 | P | 61.1 | Low | 55 | Low | 134 Ų | 134 | 132.4 Ų | 132.4 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 6.2 | 172.4 | 33.1 | -34.2 | 0 | 0 | 0 | 114.4 | | |
| 296 | S | 65.4 | Low | 55.1 | Low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -8.6 | -178.3 | 74 | 0 | 0 | 0 | 0 | 115.4 | D294 Y298 | D294-S296 VanDerWaalsContact C-N 3.27Å; D294-S296 VanDerWaalsContact CG-OG 3.23Å; D294-S296 PolarHBondContact O-N 2.9Å; D294-S296 WeakPolarHBondContact OD1-CB 3.28Å; D294-S296 PolarHBondContact OD1-N 2.77Å; D294-S296 PolarHBondContact OD1-OG 2.89Å; D294-S296 PolarHBondContact OD2-OG 2.76Å; S296-Y298 PolarHBondContact O-N 3.3Å |
| 297 | L | 65.2 | Low | 55.7 | Low | 148 Ų | 148 | 140.4 Ų | 140.4 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -91.4 | 20.6 | -172.6 | -87.6 | 171.9 | 0 | 0 | 0 | 115.9 | | |
| 298 | Y | 58.4 | Low | 56.2 | Low | 215 Ų | 215 | 144.2 Ų | 144.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -141.5 | 84.1 | 179.7 | -150.1 | -92.8 | 0 | 0 | 0 | 114.5 | S296 | S296-Y298 PolarHBondContact O-N 3.3Š|
| 299 | L | 64.4 | Low | 56.7 | Low | 162 Ų | 162 | 146.6 Ų | 146.6 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -127 | 154.1 | 153.2 | -98.2 | 97.8 | 0 | 0 | 0 | 108.5 | | |
| 300 | P | 65 | Low | 57.3 | Low | 193 Ų | 193 | 141.4 Ų | 141.4 | 100% | 1.253 | 80% | 0.795 | S | S | * | * | | | trans | -69.8 | 0 | -152.1 | 27.6 | -37.3 | 0 | 0 | 0 | 116.4 | | |