| 1 | M | 32.8 | Very low | 41.8 | Very low | 247 Ų | 247 | 147.5 Ų | 147.5 | 100% | 1.217 | 83% | 0.833 | S | S | * | * | | | | 0 | 134.1 | 0 | -142.4 | 173.1 | -157.2 | 0 | 0 | 107.4 | | |
| 2 | M | 36.8 | Very low | 41.4 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 83% | 0.828 | 83% | 0.831 | S | S | * | * | | | trans | -61.1 | 149.4 | -166.8 | -61.2 | 134.3 | 125.3 | 0 | 0 | 114.5 | | |
| 3 | N | 34.4 | Very low | 42.3 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | | | | 177.8 | 129.8 | 96.6 | -90.2 | -41.5 | 0 | 0 | 0 | 112.3 | | |
| 4 | M | 46.5 | Very low | 43 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | | | trans | -66.1 | 147.3 | 155.3 | -85.6 | -162.5 | 166.3 | 0 | 0 | 110.1 | | |
| 5 | L | 44.4 | Very low | 43.9 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | | | trans | -155 | 132.4 | 146 | -104.7 | 149.3 | 0 | 0 | 0 | 109.9 | | |
| 6 | F | 47.3 | Very low | 44.6 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 82% | 0.82 | 84% | 0.842 | S | S | * | * | | | trans | -65.1 | 151.2 | -174.5 | -78.9 | -107.3 | 0 | 0 | 0 | 113.9 | | |
| 7 | G | 39.8 | Very low | 45.1 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 85% | 0.847 | S | S | * | * | | | trans | -162.9 | 96.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C9 | G7-C9 PolarHBondContact O-N 3.32Š|
| 8 | N | 45.3 | Very low | 46 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | | | trans | -58.9 | 125.8 | 171.2 | -76.4 | -8.6 | 0 | 0 | 0 | 111.4 | | |
| 9 | C | 43.7 | Very low | 46.8 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | | | trans | -116 | 85.8 | 158.3 | -64 | 0 | 0 | 0 | 0 | 108.2 | G7 G11 | G7-C9 PolarHBondContact O-N 3.32Å; C9-G11 PolarHBondContact O-N 3.16Å |
| 10 | V | 44.7 | Very low | 47.2 | Very low | 131 Ų | 131 | 139 Ų | 139 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | -57 | 102.1 | 161.1 | 172.9 | 0 | 0 | 0 | 0 | 106.9 | S12 | V10-S12 PolarHBondContact O-N 3.25Š|
| 11 | G | 43.7 | Very low | 47.9 | Very low | 62 Ų | 62 | 136.4 Ų | 136.4 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | | | trans | -69.2 | 120 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | C9 C13 | C9-G11 PolarHBondContact O-N 3.16Å; G11-C13 PolarHBondContact O-N 3.29Å |
| 12 | S | 38 | Very low | 49 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -54 | 117.5 | 176 | -74.9 | 0 | 0 | 0 | 0 | 111.7 | V10 D14 | V10-S12 PolarHBondContact O-N 3.25Å; S12-D14 PolarHBondContact O-N 3.38Å; S12-D14 VanDerWaalsContact O-N 3.15Å |
| 13 | C | 52.2 | Low | 49.8 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -82.9 | 49.5 | 170.6 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | G11 | G11-C13 PolarHBondContact O-N 3.29Š|
| 14 | D | 52.6 | Low | 50.7 | Low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -138.3 | 29 | -171.5 | -136 | -1.6 | 0 | 0 | 0 | 114.9 | S12 | S12-D14 PolarHBondContact O-N 3.38Å; S12-D14 VanDerWaalsContact O-N 3.15Å |
| 15 | Q | 56.9 | Low | 51 | Low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -161.6 | 69.5 | 173.1 | -128.9 | 157.1 | 46.8 | 0 | 0 | 113.4 | | |
| 16 | L | 54.5 | Low | 51.6 | Low | 182 Ų | 182 | 124.6 Ų | 124.6 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | | | trans | -155.3 | 98 | 150.6 | -123.9 | 75.1 | 0 | 0 | 0 | 108.1 | | |
| 17 | A | 53.6 | Low | 52.1 | Low | 114 Ų | 114 | 121.6 Ų | 121.6 | 94% | 0.942 | 75% | 0.748 | S | S | * | * | | | trans | -71.8 | 132.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 18 | G | 61.7 | Low | 53.4 | Low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | 139.9 | 127.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 19 | P | 60.9 | Low | 54.5 | Low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 141.1 | 168.1 | 25.5 | -31.4 | 0 | 0 | 0 | 109.1 | | |
| 20 | P | 54.8 | Low | 55.4 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136.1 | 176.5 | 24.6 | -32.6 | 0 | 0 | 0 | 108.5 | D22 | P20-D22 PolarHBondContact O-N 3.46Š|
| 21 | P | 60.3 | Low | 56.2 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 56% | 0.558 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.1 | -174.9 | 25.8 | -34.3 | 0 | 0 | 0 | 110.7 | F23 | P21-F23 HydrophobicContact CB-CD2 3.77Å; P21-F23 HydrophobicContact CB-CE2 4.3Å; P21-F23 HydrophobicContact CG-CD2 4.49Å; P21-F23 PolarHBondContact O-N 2.92Å |
| 22 | D | 55.9 | Low | 56.7 | Low | 136 Ų | 136 | 123.9 Ų | 123.9 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -63 | 9.5 | -178.2 | -68.4 | -46 | 0 | 0 | 0 | 114.7 | P20 I24 L25 | P20-D22 PolarHBondContact O-N 3.46Å; D22-I24 PolarHBondContact O-N 3.48Å; D22-L25 PolarHBondContact O-N 3.47Å |
| 23 | F | 54.3 | Low | 57.4 | Low | 157 Ų | 157 | 122.2 Ų | 122.2 | 69% | 0.689 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -71 | -7.2 | 175.4 | -64.9 | -64.2 | 0 | 0 | 0 | 114 | P21 L25 S26 | P21-F23 HydrophobicContact CB-CD2 3.77Å; P21-F23 HydrophobicContact CB-CE2 4.3Å; P21-F23 HydrophobicContact CG-CD2 4.49Å; P21-F23 PolarHBondContact O-N 2.92Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-S26 WeakPolarHBondContact CA-OG 3.44Å; F23-S26 PolarHBondContact O-N 3.01Å; F23-S26 PolarHBondContact O-OG 3.23Å |
| 24 | I | 53.3 | Low | 57.6 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 60% | 0.595 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -73.6 | -26 | 173.6 | -61.4 | 171 | 0 | 0 | 0 | 111.6 | D22 S26 M27 | D22-I24 PolarHBondContact O-N 3.48Å; I24-S26 VanDerWaalsContact C-N 3.26Å; I24-S26 PolarHBondContact O-N 2.89Å; I24-M27 HydrophobicContact CB-CE 4.15Å; I24-M27 HydrophobicContact CG1-CE 4Å; I24-M27 HydrophobicContact CG2-CE 4.05Å |
| 25 | L | 53.8 | Low | 57.8 | Low | 157 Ų | 157 | 122.4 Ų | 122.4 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -76.2 | -13.3 | 175.9 | -76.5 | 162.5 | 0 | 0 | 0 | 113.4 | D22 F23 | D22-L25 PolarHBondContact O-N 3.47Å; F23-L25 VanDerWaalsContact C-N 3.33Å |
| 26 | S | 56 | Low | 57.5 | Low | 82 Ų | 82 | 119.4 Ų | 119.4 | 57% | 0.573 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -98.8 | -0.6 | 178.1 | 38.3 | 0 | 0 | 0 | 0 | 114.2 | F23 I24 P28 | F23-S26 WeakPolarHBondContact CA-OG 3.44Å; F23-S26 PolarHBondContact O-N 3.01Å; F23-S26 PolarHBondContact O-OG 3.23Å; I24-S26 VanDerWaalsContact C-N 3.26Å; I24-S26 PolarHBondContact O-N 2.89Å; S26-P28 WeakPolarHBondContact O-CD 3.48Å |
| 27 | M | 57.7 | Low | 57.5 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 61% | 0.606 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -76.3 | 120.8 | 170.8 | -79.8 | -173.8 | -80.5 | 0 | 0 | 109.2 | I24 | I24-M27 HydrophobicContact CB-CE 4.15Å; I24-M27 HydrophobicContact CG1-CE 4Å; I24-M27 HydrophobicContact CG2-CE 4.05Å |
| 28 | P | 66.8 | Low | 57.3 | Low | 114 Ų | 114 | 115 Ų | 115 | 74% | 0.74 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.8 | 169.9 | 25.5 | -31.7 | 0 | 0 | 0 | 108.1 | S26 | S26-P28 WeakPolarHBondContact O-CD 3.48Š|
| 29 | P | 68.2 | Low | 56.5 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 139.9 | 178.3 | 23.2 | -32.3 | 0 | 0 | 0 | 109.2 | | |
| 30 | P | 62.4 | Low | 55.9 | Low | 112 Ų | 112 | 118.8 Ų | 118.8 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.7 | 179.2 | 23.1 | -32.5 | 0 | 0 | 0 | 109.6 | L32 | P30-L32 PolarHBondContact O-N 2.79Š|
| 31 | P | 63.3 | Low | 55.6 | Low | 129 Ų | 129 | 118.8 Ų | 118.8 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.3 | 178.4 | 23.6 | -32.3 | 0 | 0 | 0 | 109.1 | | |
| 32 | L | 53.5 | Low | 54.9 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.1 | 178.9 | -70.8 | 160.6 | 0 | 0 | 0 | 109.6 | P30 L36 | P30-L32 PolarHBondContact O-N 2.79Å; L32-L36 HydrophobicContact CD2-CD1 3.94Å |
| 33 | P | 53.5 | Low | 54.5 | Low | 82 Ų | 82 | 119 Ų | 119 | 53% | 0.532 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 143.2 | 175.6 | 24.3 | -32.7 | 0 | 0 | 0 | 110.1 | F35 L36 | P33-F35 HydrophobicContact CB-CD2 4.46Å; P33-F35 PolarHBondContact O-N 2.95Å; P33-L36 PolarHBondContact O-N 2.98Å |
| 34 | S | 55.1 | Low | 54.1 | Low | 93 Ų | 93 | 118.7 Ų | 118.7 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -4.4 | -173.6 | 42.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 35 | F | 56.2 | Low | 53.9 | Low | 189 Ų | 189 | 120.8 Ų | 120.8 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -17.4 | 175.4 | -57.2 | -75.6 | 0 | 0 | 0 | 114 | P33 | P33-F35 HydrophobicContact CB-CD2 4.46Å; P33-F35 PolarHBondContact O-N 2.95Å |
| 36 | L | 52.5 | Low | 53.5 | Low | 121 Ų | 121 | 120 Ų | 120 | 63% | 0.634 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -94.3 | -14.1 | 174.5 | -69.5 | 173.3 | 0 | 0 | 0 | 113 | L32 P33 S38 | L32-L36 HydrophobicContact CD2-CD1 3.94Å; P33-L36 PolarHBondContact O-N 2.98Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.83Å |
| 37 | I | 53.6 | Low | 52.8 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 59% | 0.585 | 71% | 0.705 | S | S | * | * | | | trans | -81.2 | 86.4 | 170 | -66.2 | 150.8 | 0 | 0 | 0 | 106.3 | K39 | I37-K39 PolarHBondContact O-N 2.94Š|
| 38 | S | 49 | Very low | 52.1 | Low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | | | trans | -62.8 | 91.9 | 164.4 | 50.7 | 0 | 0 | 0 | 0 | 107.1 | L36 P40 | L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.83Å; S38-P40 WeakPolarHBondContact O-CD 3.35Å |
| 39 | K | 46.1 | Very low | 51.1 | Low | 180 Ų | 180 | 121.8 Ų | 121.8 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | | | trans | -57.5 | 108.2 | 170.8 | -178 | 167.9 | 179.5 | 163.3 | 0 | 107 | I37 A41 | I37-K39 PolarHBondContact O-N 2.94Å; K39-A41 PolarHBondContact O-N 3.23Å; K39-A41 VanDerWaalsContact O-N 3.11Å |
| 40 | P | 47.6 | Very low | 49.9 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | | | trans | -69.3 | 114.2 | 168.9 | 30.4 | -28.8 | 0 | 0 | 0 | 105.5 | S38 T42 V43 | S38-P40 WeakPolarHBondContact O-CD 3.35Å; P40-T42 PolarHBondContact O-N 3.13Å; P40-V43 HydrophobicContact CB-CG2 3.96Å; P40-V43 HydrophobicContact CG-CG2 3.88Å |
| 41 | A | 47.6 | Very low | 49.3 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -69.6 | 10.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K39 | K39-A41 PolarHBondContact O-N 3.23Å; K39-A41 VanDerWaalsContact O-N 3.11Å |
| 42 | T | 47.1 | Very low | 48.4 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | | | trans | -152.6 | 67.1 | -172.7 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | P40 | P40-T42 PolarHBondContact O-N 3.13Š|
| 43 | V | 47.7 | Very low | 48.2 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -138 | 49.7 | 156.4 | -161.5 | 0 | 0 | 0 | 0 | 108.7 | P40 | P40-V43 HydrophobicContact CB-CG2 3.96Å; P40-V43 HydrophobicContact CG-CG2 3.88Å |
| 44 | D | 44.4 | Very low | 48 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -95.8 | 134.8 | 142.5 | -79.7 | -45.8 | 0 | 0 | 0 | 104.4 | | |
| 45 | I | 49.9 | Very low | 47.4 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 87.1 | 67 | -175.2 | -41.1 | 155.2 | 0 | 0 | 0 | 113.4 | | |
| 46 | L | 45.6 | Very low | 47.2 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | S | Bend | | 175 | 129.3 | 108.9 | -127.9 | 74.1 | 0 | 0 | 0 | 111.1 | | |
| 47 | V | 41.7 | Very low | 46.8 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | | | trans | 96.3 | 131.4 | 156.3 | -173.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 48 | P | 42.6 | Very low | 46.7 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | | | trans | -88.8 | 154.8 | -171 | 20 | -0.8 | 0 | 0 | 0 | 112.6 | N50 | P48-N50 PolarHBondContact O-N 3.08Š|
| 49 | S | 45.3 | Very low | 46.9 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -15.5 | 115.6 | 161.6 | -177.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 50 | N | 42.8 | Very low | 46.9 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | | -174.8 | 128.8 | 123.5 | -114.8 | -41 | 0 | 0 | 0 | 112.2 | P48 S52 | P48-N50 PolarHBondContact O-N 3.08Å; N50-S52 PolarHBondContact O-N 2.97Å |
| 51 | E | 50.3 | Low | 46.7 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 45.5 | 72.6 | 146.2 | -58.2 | -74.6 | 144.2 | 0 | 0 | 117.3 | | |
| 52 | S | 44.7 | Very low | 46.2 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -171 | 119.3 | 143 | 40.7 | 0 | 0 | 0 | 0 | 109.9 | N50 | N50-S52 PolarHBondContact O-N 2.97Š|
| 53 | Q | 49.4 | Very low | 46.1 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -58.4 | 129.1 | 172.7 | -70.5 | 173.6 | -25.6 | 0 | 0 | 109.2 | C55 | Q53-C55 PolarHBondContact O-N 2.9Š|
| 54 | P | 48.6 | Very low | 45.7 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | trans | -70.7 | 106.8 | 172.6 | 27.4 | -30.7 | 0 | 0 | 0 | 108.5 | F56 | P54-F56 PolarHBondContact O-N 3.25Š|
| 55 | C | 42.3 | Very low | 45.7 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | -58.1 | 107 | 167.1 | -94.3 | 0 | 0 | 0 | 0 | 109.5 | Q53 A57 | Q53-C55 PolarHBondContact O-N 2.9Å; C55-A57 PolarHBondContact O-N 2.94Å |
| 56 | F | 53.2 | Low | 45.5 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 16.1 | 176.6 | -115.5 | -89.2 | 0 | 0 | 0 | 114 | P54 | P54-F56 PolarHBondContact O-N 3.25Š|
| 57 | A | 43.7 | Very low | 45.1 | Very low | 58 Ų | 58 | 136.7 Ų | 136.7 | 48% | 0.479 | 78% | 0.782 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98 | 1.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C55 F59 M60 | C55-A57 PolarHBondContact O-N 2.94Å; A57-F59 PolarHBondContact O-N 3.14Å; A57-M60 PolarHBondContact O-N 3.14Å |
| 58 | A | 51 | Low | 45.1 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -15.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 59 | F | 52.9 | Low | 45.3 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 87% | 0.873 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -10.9 | 176.8 | -162.4 | -100.1 | 0 | 0 | 0 | 114.3 | A57 | A57-F59 PolarHBondContact O-N 3.14Š|
| 60 | M | 47.2 | Very low | 45.1 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -5.2 | -177.1 | -63.1 | -159.5 | 81.5 | 0 | 0 | 114.8 | A57 G62 | A57-M60 PolarHBondContact O-N 3.14Å; M60-G62 PolarHBondContact O-N 3.28Å |
| 61 | C | 43.5 | Very low | 44.9 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -89.7 | 91.2 | 173.3 | -87.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 62 | G | 36.5 | Very low | 44.8 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | 79.7 | 106.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | M60 G64 | M60-G62 PolarHBondContact O-N 3.28Å; G62-G64 PolarHBondContact O-N 3.43Å |
| 63 | H | 45 | Very low | 44.9 | Very low | 211 Ų | 211 | 133.1 Ų | 133.1 | 98% | 0.977 | 77% | 0.772 | S | S | * | * | | | trans | -57.5 | 123.5 | 147.6 | -90.9 | 53.7 | 0 | 0 | 0 | 110.1 | | |
| 64 | G | 38.1 | Very low | 44.8 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -163.3 | 107.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G62 | G62-G64 PolarHBondContact O-N 3.43Š|
| 65 | M | 45 | Very low | 44.7 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | | | trans | -30.1 | 147.4 | 177.1 | -68.7 | -108.2 | 74.3 | 0 | 0 | 119.2 | | |
| 66 | Q | 46.8 | Very low | 45 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | 71.1 | 105.1 | 145.3 | -68.6 | -90.4 | 13.6 | 0 | 0 | 118.6 | | |
| 67 | H | 37.3 | Very low | 44.7 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | | | | -154.2 | 130.7 | 124.2 | -155.3 | -78.8 | 0 | 0 | 0 | 110.8 | | |
| 68 | N | 40.8 | Very low | 45 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 56% | 0.556 | 77% | 0.766 | S | S | * | * | | | trans | -57 | 158.9 | 173.7 | -74.9 | -28.1 | 0 | 0 | 0 | 113.1 | | |
| 69 | E | 47.1 | Very low | 44.7 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | 69.2 | 122.9 | 137.1 | 66.4 | -153.1 | 112.2 | 0 | 0 | 120.9 | | |
| 70 | S | 40.9 | Very low | 44.7 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | 90.4 | 112.8 | 152.6 | 75.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 71 | G | 37.7 | Very low | 45.2 | Very low | 53 Ų | 53 | 131.3 Ų | 131.3 | 55% | 0.546 | 74% | 0.735 | S | S | . | * | | | trans | 121.2 | 83.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A73 | G71-A73 VanDerWaalsContact C-N 3.3Å; G71-A73 PolarHBondContact O-N 3.47Å |
| 72 | N | 48.3 | Very low | 46.1 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | | | trans | 38.9 | 40.9 | 130.4 | 59.8 | -10.6 | 0 | 0 | 0 | 120.1 | L74 | N72-L74 PolarHBondContact O-N 3.17Š|
| 73 | A | 47.8 | Very low | 47.4 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | | | trans | -78.1 | 72.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | G71 M75 | G71-A73 VanDerWaalsContact C-N 3.3Å; G71-A73 PolarHBondContact O-N 3.47Å; A73-M75 PolarHBondContact O-N 3.01Å |
| 74 | L | 46.4 | Very low | 48.3 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 80% | 0.801 | 69% | 0.69 | S | S | * | * | | | trans | -55.8 | 124.8 | 175.5 | -170.8 | 145.8 | 0 | 0 | 0 | 109.1 | N72 | N72-L74 PolarHBondContact O-N 3.17Š|
| 75 | M | 48.3 | Very low | 49.6 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 70% | 0.704 | 67% | 0.674 | S | S | * | * | | | trans | 74.7 | 64.5 | 163.9 | -146.1 | 146 | 108 | 0 | 0 | 114.2 | A73 L77 | A73-M75 PolarHBondContact O-N 3.01Å; M75-L77 PolarHBondContact O-N 3.31Å |
| 76 | E | 47.8 | Very low | 51 | Low | 160 Ų | 160 | 123.1 Ų | 123.1 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | | | | -17.7 | 89 | 115.6 | -163.6 | -175.8 | 177.6 | 0 | 0 | 110.2 | V78 | E76-V78 HydrophobicContact CB-CG2 4.45Å; E76-V78 HydrophobicContact CG-CG2 3.65Å; E76-V78 PolarHBondContact O-N 2.73Å |
| 77 | L | 46.2 | Very low | 52.5 | Low | 150 Ų | 150 | 119.6 Ų | 119.6 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | | | trans | -66.6 | 85.8 | 148.6 | -97.4 | 97.5 | 0 | 0 | 0 | 103.4 | M75 R79 | M75-L77 PolarHBondContact O-N 3.31Å; L77-R79 PolarHBondContact O-N 3.38Å |
| 78 | V | 50 | Low | 54.8 | Low | 81 Ų | 81 | 114.8 Ų | 114.8 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | | | trans | -41.7 | 91.5 | 145.8 | 175.5 | 0 | 0 | 0 | 0 | 103.7 | E76 S80 | E76-V78 HydrophobicContact CB-CG2 4.45Å; E76-V78 HydrophobicContact CG-CG2 3.65Å; E76-V78 PolarHBondContact O-N 2.73Å; V78-S80 PolarHBondContact O-N 3.32Å |
| 79 | R | 45.3 | Very low | 57.1 | Low | 233 Ų | 233 | 118.6 Ų | 118.6 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | | | trans | -64.1 | 81.5 | 151.7 | -171.4 | 169.7 | -177.8 | 88 | -1.1 | 101.4 | L77 D81 | L77-R79 PolarHBondContact O-N 3.38Å; R79-D81 PolarHBondContact O-N 3.25Å |
| 80 | S | 53.2 | Low | 58.8 | Low | 61 Ų | 61 | 116.9 Ų | 116.9 | 43% | 0.427 | 64% | 0.636 | S | S | . | * | | | trans | -59.3 | 91.8 | 169.8 | 30.7 | 0 | 0 | 0 | 0 | 102.5 | V78 S82 L85 | V78-S80 PolarHBondContact O-N 3.32Å; S80-S82 PolarHBondContact O-N 2.9Å; S80-L85 VanDerWaalsContact CB-CD1 3.44Å |
| 81 | D | 57.8 | Low | 61 | Low | 101 Ų | 101 | 117.8 Ų | 117.8 | 54% | 0.54 | 62% | 0.624 | S | S | . | * | | | trans | -54 | 105.3 | 168.2 | -155.3 | -7.7 | 0 | 0 | 0 | 102.7 | R79 K83 S84 L85 | R79-D81 PolarHBondContact O-N 3.25Å; D81-K83 PolarHBondContact O-N 3.34Å; D81-S84 WeakPolarHBondContact O-CA 3.22Å; D81-S84 WeakPolarHBondContact O-CB 3.48Å; D81-S84 PolarHBondContact O-N 3.19Å; D81-L85 PolarHBondContact O-N 3.36Å |
| 82 | S | 60.9 | Low | 63.5 | Low | 68 Ų | 68 | 118.3 Ų | 118.3 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -55.4 | -29.6 | -167.6 | 55.3 | 0 | 0 | 0 | 0 | 110 | S80 S84 L85 E86 | S80-S82 PolarHBondContact O-N 2.9Å; S82-S84 PolarHBondContact O-N 3.26Å; S82-L85 PolarHBondContact O-N 3.48Å; S82-E86 VanDerWaalsContact O-CB 3.28Å; S82-E86 WeakPolarHBondContact O-CB 3.49Å; S82-E86 WeakPolarHBondContact O-CG 3.19Å; S82-E86 PolarHBondContact O-N 2.73Å |
| 83 | K | 64.5 | Low | 65.5 | Low | 141 Ų | 141 | 114 Ų | 114 | 61% | 0.613 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.4 | -39.3 | 171.3 | -59.8 | 178 | 179.9 | 175.9 | 0 | 114.1 | D81 S87 | D81-K83 PolarHBondContact O-N 3.34Å; K83-S87 WeakPolarHBondContact O-CB 3.21Å; K83-S87 PolarHBondContact O-N 3.34Å; K83-S87 PolarHBondContact O-OG 3.38Å |
| 84 | S | 64.2 | Low | 67.6 | Low | 70 Ų | 70 | 112.3 Ų | 112.3 | 49% | 0.49 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.6 | -44 | 178 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | D81 S82 S87 V88 | D81-S84 WeakPolarHBondContact O-CA 3.22Å; D81-S84 WeakPolarHBondContact O-CB 3.48Å; D81-S84 PolarHBondContact O-N 3.19Å; S82-S84 PolarHBondContact O-N 3.26Å; S84-S87 WeakPolarHBondContact O-CB 3.47Å; S84-S87 PolarHBondContact O-N 3.48Å; S84-V88 WeakPolarHBondContact O-CG2 3.29Å; S84-V88 PolarHBondContact O-N 2.93Å |
| 85 | L | 65.7 | Low | 69.9 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 44% | 0.44 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -42.9 | 175 | -67.6 | -174.1 | 0 | 0 | 0 | 111.7 | S80 D81 S82 S87 V88 W89 | S80-L85 VanDerWaalsContact CB-CD1 3.44Å; D81-L85 PolarHBondContact O-N 3.36Å; S82-L85 PolarHBondContact O-N 3.48Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.88Å; L85-V88 PolarHBondContact O-N 3.13Å; L85-V88 VanDerWaalsContact O-N 3.17Å; L85-W89 PolarHBondContact O-N 2.78Å |
| 86 | E | 73.8 | Confident | 72.2 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.5 | -41.4 | 172 | -75.7 | 163.7 | -162.4 | 0 | 0 | 111.2 | S82 V88 W89 L90 | S82-E86 VanDerWaalsContact O-CB 3.28Å; S82-E86 WeakPolarHBondContact O-CB 3.49Å; S82-E86 WeakPolarHBondContact O-CG 3.19Å; S82-E86 PolarHBondContact O-N 2.73Å; E86-V88 PolarHBondContact O-N 3.08Å; E86-W89 PolarHBondContact O-N 3.17Å; E86-L90 WeakPolarHBondContact O-CB 3.07Å; E86-L90 WeakPolarHBondContact O-CG 3.27Å; E86-L90 PolarHBondContact O-N 3.31Å |
| 87 | S | 77.9 | Confident | 74.4 | Confident | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176.4 | -61 | 0 | 0 | 0 | 0 | 112.7 | K83 S84 L85 L90 F91 | K83-S87 WeakPolarHBondContact O-CB 3.21Å; K83-S87 PolarHBondContact O-N 3.34Å; K83-S87 PolarHBondContact O-OG 3.38Å; S84-S87 WeakPolarHBondContact O-CB 3.47Å; S84-S87 PolarHBondContact O-N 3.48Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.88Å; S87-L90 PolarHBondContact O-N 3.05Å; S87-F91 WeakPolarHBondContact O-CB 3.19Å; S87-F91 PolarHBondContact O-N 3.25Å |
| 88 | V | 86.7 | Confident | 76.8 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | S84 L85 E86 L90 F91 V92 | S84-V88 WeakPolarHBondContact O-CG2 3.29Å; S84-V88 PolarHBondContact O-N 2.93Å; L85-V88 PolarHBondContact O-N 3.13Å; L85-V88 VanDerWaalsContact O-N 3.17Å; E86-V88 PolarHBondContact O-N 3.08Å; V88-L90 PolarHBondContact O-N 3.45Å; V88-F91 PolarHBondContact O-N 3.4Å; V88-V92 HydrophobicContact CG1-CG2 4.43Å; V88-V92 WeakPolarHBondContact O-CB 3.35Å; V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.45Å; V88-V92 PolarHBondContact O-N 3.27Å |
| 89 | W | 88.4 | Confident | 79 | Confident | 184 Ų | 184 | 101.5 Ų | 101.5 | 70% | 0.697 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 176 | -81.3 | 104.5 | 0 | 0 | 0 | 112.5 | L85 E86 V92 S93 | L85-W89 PolarHBondContact O-N 2.78Å; E86-W89 PolarHBondContact O-N 3.17Å; W89-V92 PolarHBondContact O-N 3.03Å; W89-S93 WeakPolarHBondContact O-CB 3.29Å; W89-S93 PolarHBondContact O-N 2.75Å |
| 90 | L | 83.9 | Confident | 81.4 | Confident | 121 Ų | 121 | 94.7 Ų | 94.7 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 173.3 | -73 | 175 | 0 | 0 | 0 | 111.6 | E86 S87 V88 S94 | E86-L90 WeakPolarHBondContact O-CB 3.07Å; E86-L90 WeakPolarHBondContact O-CG 3.27Å; E86-L90 PolarHBondContact O-N 3.31Å; S87-L90 PolarHBondContact O-N 3.05Å; V88-L90 PolarHBondContact O-N 3.45Å; L90-S94 WeakPolarHBondContact O-CB 3.04Å; L90-S94 PolarHBondContact O-N 3.46Å |
| 91 | F | 85.6 | Confident | 83.5 | Confident | 145 Ų | 145 | 98 Ų | 98 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -46.4 | 173.6 | 179 | -101.8 | 0 | 0 | 0 | 111.5 | S87 V88 S94 C95 | S87-F91 WeakPolarHBondContact O-CB 3.19Å; S87-F91 PolarHBondContact O-N 3.25Å; V88-F91 PolarHBondContact O-N 3.4Å; F91-S94 PolarHBondContact O-N 3.38Å; F91-C95 WeakPolarHBondContact O-CB 3.46Å; F91-C95 PolarHBondContact O-N 3.07Å; F91-C95 PolarHBondContact O-SG 2.85Å |
| 92 | V | 90.6 | Very high | 85.3 | Confident | 63 Ų | 63 | 94.9 Ų | 94.9 | 38% | 0.382 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V88 W89 S94 C95 I96 | V88-V92 HydrophobicContact CG1-CG2 4.43Å; V88-V92 WeakPolarHBondContact O-CB 3.35Å; V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.45Å; V88-V92 PolarHBondContact O-N 3.27Å; W89-V92 PolarHBondContact O-N 3.03Å; V92-S94 PolarHBondContact O-N 2.67Å; V92-C95 PolarHBondContact O-N 3.46Å; V92-I96 HydrophobicContact CG1-CD1 3.85Å; V92-I96 WeakPolarHBondContact O-CD1 3.47Å; V92-I96 VanDerWaalsContact O-CG1 3.25Å; V92-I96 WeakPolarHBondContact O-CG1 2.89Å; V92-I96 PolarHBondContact O-N 3.45Å |
| 93 | S | 90.8 | Very high | 87 | Confident | 73 Ų | 73 | 94.3 Ų | 94.3 | 51% | 0.51 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 176 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | W89 I96 G97 | W89-S93 WeakPolarHBondContact O-CB 3.29Å; W89-S93 PolarHBondContact O-N 2.75Å; S93-I96 PolarHBondContact O-N 2.78Å; S93-G97 PolarHBondContact O-N 2.88Å |
| 94 | S | 92.6 | Very high | 88.5 | Confident | 65 Ų | 65 | 93.7 Ų | 93.7 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | L90 F91 V92 I96 G97 I98 | L90-S94 WeakPolarHBondContact O-CB 3.04Å; L90-S94 PolarHBondContact O-N 3.46Å; F91-S94 PolarHBondContact O-N 3.38Å; V92-S94 PolarHBondContact O-N 2.67Å; S94-I96 PolarHBondContact O-N 3.47Å; S94-G97 PolarHBondContact O-N 3.29Å; S94-I98 VanDerWaalsContact O-CG1 3.3Å; S94-I98 WeakPolarHBondContact O-CG1 3.24Å; S94-I98 PolarHBondContact O-N 3.21Å |
| 95 | C | 94.5 | Very high | 89.9 | Confident | 56 Ų | 56 | 94 Ų | 94 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 175.8 | -72.5 | 0 | 0 | 0 | 0 | 112.2 | F91 V92 G97 I98 F99 | F91-C95 WeakPolarHBondContact O-CB 3.46Å; F91-C95 PolarHBondContact O-N 3.07Å; F91-C95 PolarHBondContact O-SG 2.85Å; V92-C95 PolarHBondContact O-N 3.46Å; C95-G97 VanDerWaalsContact C-N 3.35Å; C95-I98 PolarHBondContact O-N 2.68Å; C95-F99 PolarHBondContact O-N 3.25Å |
| 96 | I | 95.4 | Very high | 91.3 | Very high | 101 Ų | 101 | 92.3 Ų | 92.3 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 175.7 | -64.2 | 160.3 | 0 | 0 | 0 | 110.2 | V92 S93 S94 F99 V100 | V92-I96 HydrophobicContact CG1-CD1 3.85Å; V92-I96 WeakPolarHBondContact O-CD1 3.47Å; V92-I96 VanDerWaalsContact O-CG1 3.25Å; V92-I96 WeakPolarHBondContact O-CG1 2.89Å; V92-I96 PolarHBondContact O-N 3.45Å; S93-I96 PolarHBondContact O-N 2.78Å; S94-I96 PolarHBondContact O-N 3.47Å; I96-F99 PolarHBondContact O-N 3.21Å; I96-V100 HydrophobicContact CG2-CG2 4.32Å; I96-V100 WeakPolarHBondContact O-CG2 3.4Å; I96-V100 PolarHBondContact O-N 3.34Å |
| 97 | G | 95.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 92.4 Ų | 92.4 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S93 S94 C95 F99 V100 F101 | S93-G97 PolarHBondContact O-N 2.88Å; S94-G97 PolarHBondContact O-N 3.29Å; C95-G97 VanDerWaalsContact C-N 3.35Å; G97-F99 VanDerWaalsContact C-N 3.33Å; G97-F99 PolarHBondContact O-N 3.14Å; G97-V100 PolarHBondContact O-N 3.24Å; G97-F101 WeakPolarHBondContact O-CB 3.24Å; G97-F101 PolarHBondContact O-N 2.71Å |
| 98 | I | 96.3 | Very high | 92.8 | Very high | 115 Ų | 115 | 92.2 Ų | 92.2 | 59% | 0.59 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 176.7 | -66 | 163.3 | 0 | 0 | 0 | 110.6 | S94 C95 G102 | S94-I98 VanDerWaalsContact O-CG1 3.3Å; S94-I98 WeakPolarHBondContact O-CG1 3.24Å; S94-I98 PolarHBondContact O-N 3.21Å; C95-I98 PolarHBondContact O-N 2.68Å; I98-G102 PolarHBondContact O-N 3.27Å |
| 99 | F | 96.4 | Very high | 93 | Very high | 148 Ų | 148 | 93 Ų | 93 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -48.4 | 177 | -174.5 | -97.3 | 0 | 0 | 0 | 111.8 | C95 I96 G97 G102 C103 | C95-F99 PolarHBondContact O-N 3.25Å; I96-F99 PolarHBondContact O-N 3.21Å; G97-F99 VanDerWaalsContact C-N 3.33Å; G97-F99 PolarHBondContact O-N 3.14Å; F99-G102 PolarHBondContact O-N 3.49Å; F99-C103 PolarHBondContact O-N 3.48Å; F99-C103 PolarHBondContact O-SG 2.98Å; F99-C103 VanDerWaalsContact O-SG 3.35Å |
| 100 | V | 96.3 | Very high | 93 | Very high | 89 Ų | 89 | 89.4 Ų | 89.4 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I96 G97 C103 F104 | I96-V100 HydrophobicContact CG2-CG2 4.32Å; I96-V100 WeakPolarHBondContact O-CG2 3.4Å; I96-V100 PolarHBondContact O-N 3.34Å; G97-V100 PolarHBondContact O-N 3.24Å; V100-C103 PolarHBondContact O-N 3.15Å; V100-F104 WeakPolarHBondContact O-CB 3.37Å; V100-F104 PolarHBondContact O-N 3.26Å |
| 101 | F | 96.1 | Very high | 93.1 | Very high | 130 Ų | 130 | 91.5 Ų | 91.5 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 176.9 | -175.5 | -107.6 | 0 | 0 | 0 | 111.8 | G97 F104 L105 | G97-F101 WeakPolarHBondContact O-CB 3.24Å; G97-F101 PolarHBondContact O-N 2.71Å; F101-F104 PolarHBondContact O-N 2.87Å; F101-L105 HydrophobicContact CD1-CD1 3.75Å; F101-L105 HydrophobicContact CD1-CG 4.32Å; F101-L105 HydrophobicContact CE1-CD1 3.29Å; F101-L105 HydrophobicContact CE1-CG 3.97Å; F101-L105 HydrophobicContact CE2-CG 4.46Å; F101-L105 HydrophobicContact CZ-CD1 3.77Å; F101-L105 HydrophobicContact CZ-CD2 4.32Å; F101-L105 HydrophobicContact CZ-CG 4.04Å; F101-L105 WeakPolarHBondContact O-CB 3.5Å; F101-L105 WeakPolarHBondContact O-CG 3.44Å; F101-L105 PolarHBondContact O-N 2.8Å |
| 102 | G | 96.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 87 Ų | 87 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I98 F99 L105 A106 | I98-G102 PolarHBondContact O-N 3.27Å; F99-G102 PolarHBondContact O-N 3.49Å; G102-L105 PolarHBondContact O-N 3.31Å; G102-A106 WeakPolarHBondContact O-CB 3.32Å; G102-A106 PolarHBondContact O-N 3.37Å |
| 103 | C | 95.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 90.8 Ų | 90.8 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 173.5 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | F99 V100 A106 L107 | F99-C103 PolarHBondContact O-N 3.48Å; F99-C103 PolarHBondContact O-SG 2.98Å; F99-C103 VanDerWaalsContact O-SG 3.35Å; V100-C103 PolarHBondContact O-N 3.15Å; C103-A106 PolarHBondContact O-N 2.87Å; C103-L107 WeakPolarHBondContact O-CG 3.14Å; C103-L107 PolarHBondContact O-N 2.85Å |
| 104 | F | 96.4 | Very high | 91 | Very high | 127 Ų | 127 | 91.4 Ų | 91.4 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 178.6 | -168.2 | -106.7 | 0 | 0 | 0 | 111.9 | V100 F101 A106 L107 I108 | V100-F104 WeakPolarHBondContact O-CB 3.37Å; V100-F104 PolarHBondContact O-N 3.26Å; F101-F104 PolarHBondContact O-N 2.87Å; F104-A106 VanDerWaalsContact C-N 3.35Å; F104-A106 PolarHBondContact O-N 3.28Å; F104-L107 PolarHBondContact O-N 2.82Å; F104-I108 HydrophobicContact CD1-CD1 3.53Å; F104-I108 HydrophobicContact CD1-CG1 4.35Å; F104-I108 HydrophobicContact CE1-CD1 3.35Å; F104-I108 HydrophobicContact CE1-CG1 4.2Å; F104-I108 HydrophobicContact CG-CD1 4.43Å; F104-I108 HydrophobicContact CZ-CD1 4.11Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 2.8Å |
| 105 | L | 94.1 | Very high | 89.7 | Confident | 78 Ų | 78 | 91.3 Ų | 91.3 | 41% | 0.408 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 172.2 | -78.9 | 177.9 | 0 | 0 | 0 | 111.8 | F101 G102 L107 I108 V109 | F101-L105 HydrophobicContact CD1-CD1 3.75Å; F101-L105 HydrophobicContact CD1-CG 4.32Å; F101-L105 HydrophobicContact CE1-CD1 3.29Å; F101-L105 HydrophobicContact CE1-CG 3.97Å; F101-L105 HydrophobicContact CE2-CG 4.46Å; F101-L105 HydrophobicContact CZ-CD1 3.77Å; F101-L105 HydrophobicContact CZ-CD2 4.32Å; F101-L105 HydrophobicContact CZ-CG 4.04Å; F101-L105 WeakPolarHBondContact O-CB 3.5Å; F101-L105 WeakPolarHBondContact O-CG 3.44Å; F101-L105 PolarHBondContact O-N 2.8Å; G102-L105 PolarHBondContact O-N 3.31Å; L105-L107 VanDerWaalsContact C-N 3.34Å; L105-L107 PolarHBondContact O-N 2.79Å; L105-I108 PolarHBondContact O-N 3.37Å; L105-V109 WeakPolarHBondContact O-CB 3.43Å; L105-V109 VanDerWaalsContact O-CG2 3.29Å; L105-V109 WeakPolarHBondContact O-CG2 3.24Å; L105-V109 PolarHBondContact O-N 3.44Å |
| 106 | A | 94.8 | Very high | 88 | Confident | 48 Ų | 48 | 95.2 Ų | 95.2 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G102 C103 F104 V109 M110 | G102-A106 WeakPolarHBondContact O-CB 3.32Å; G102-A106 PolarHBondContact O-N 3.37Å; C103-A106 PolarHBondContact O-N 2.87Å; F104-A106 VanDerWaalsContact C-N 3.35Å; F104-A106 PolarHBondContact O-N 3.28Å; A106-V109 PolarHBondContact O-N 2.88Å; A106-M110 WeakPolarHBondContact O-CB 3.3Å; A106-M110 VanDerWaalsContact O-CG 3.32Å; A106-M110 WeakPolarHBondContact O-CG 3.34Å; A106-M110 PolarHBondContact O-N 3.46Å |
| 107 | L | 92.5 | Very high | 86.1 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -41.9 | 174.6 | -70.9 | 174.9 | 0 | 0 | 0 | 112 | C103 F104 L105 M110 R111 | C103-L107 WeakPolarHBondContact O-CG 3.14Å; C103-L107 PolarHBondContact O-N 2.85Å; F104-L107 PolarHBondContact O-N 2.82Å; L105-L107 VanDerWaalsContact C-N 3.34Å; L105-L107 PolarHBondContact O-N 2.79Å; L107-M110 PolarHBondContact O-N 3.4Å; L107-R111 VanDerWaalsContact O-CB 3.24Å; L107-R111 WeakPolarHBondContact O-CB 3.18Å; L107-R111 PolarHBondContact O-N 3.3Å |
| 108 | I | 90.8 | Very high | 84.1 | Confident | 69 Ų | 69 | 99.3 Ų | 99.3 | 35% | 0.354 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 173.2 | -70.4 | 166.6 | 0 | 0 | 0 | 109.6 | F104 L105 M110 R111 C112 | F104-I108 HydrophobicContact CD1-CD1 3.53Å; F104-I108 HydrophobicContact CD1-CG1 4.35Å; F104-I108 HydrophobicContact CE1-CD1 3.35Å; F104-I108 HydrophobicContact CE1-CG1 4.2Å; F104-I108 HydrophobicContact CG-CD1 4.43Å; F104-I108 HydrophobicContact CZ-CD1 4.11Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 2.8Å; L105-I108 PolarHBondContact O-N 3.37Å; I108-M110 VanDerWaalsContact C-N 3.34Å; I108-M110 PolarHBondContact O-N 2.84Å; I108-R111 PolarHBondContact O-N 3.34Å; I108-C112 WeakPolarHBondContact O-CA 3.43Å; I108-C112 WeakPolarHBondContact O-CB 3.32Å; I108-C112 PolarHBondContact O-N 2.88Å; I108-C112 PolarHBondContact O-SG 3.34Å |
| 109 | V | 90.6 | Very high | 81.9 | Confident | 94 Ų | 94 | 103.2 Ų | 103.2 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -40.8 | 179 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L105 A106 R113 | L105-V109 WeakPolarHBondContact O-CB 3.43Å; L105-V109 VanDerWaalsContact O-CG2 3.29Å; L105-V109 WeakPolarHBondContact O-CG2 3.24Å; L105-V109 PolarHBondContact O-N 3.44Å; A106-V109 PolarHBondContact O-N 2.88Å; V109-R113 WeakPolarHBondContact O-CA 3.45Å; V109-R113 WeakPolarHBondContact O-CB 3.35Å; V109-R113 PolarHBondContact O-N 2.88Å |
| 110 | M | 88.9 | Confident | 79.8 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.6 | -76.1 | -176 | 179 | 0 | 0 | 111.6 | A106 L107 I108 R113 D114 | A106-M110 WeakPolarHBondContact O-CB 3.3Å; A106-M110 VanDerWaalsContact O-CG 3.32Å; A106-M110 WeakPolarHBondContact O-CG 3.34Å; A106-M110 PolarHBondContact O-N 3.46Å; L107-M110 PolarHBondContact O-N 3.4Å; I108-M110 VanDerWaalsContact C-N 3.34Å; I108-M110 PolarHBondContact O-N 2.84Å; M110-R113 WeakPolarHBondContact O-CB 3.19Å; M110-R113 PolarHBondContact O-N 2.91Å; M110-D114 VanDerWaalsContact O-CG 3.23Å; M110-D114 PolarHBondContact O-N 3.04Å |
| 111 | R | 84.5 | Confident | 77.5 | Confident | 165 Ų | 165 | 102 Ų | 102 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.7 | -40.6 | -179.5 | -161.8 | 67.2 | 175.7 | 81.2 | -2.2 | 112.2 | L107 I108 D114 S115 | L107-R111 VanDerWaalsContact O-CB 3.24Å; L107-R111 WeakPolarHBondContact O-CB 3.18Å; L107-R111 PolarHBondContact O-N 3.3Å; I108-R111 PolarHBondContact O-N 3.34Å; R111-D114 PolarHBondContact O-N 3.27Å; R111-S115 WeakPolarHBondContact O-CB 3.32Å; R111-S115 PolarHBondContact O-N 2.77Å; R111-S115 PolarHBondContact O-OG 3.38Å |
| 112 | C | 78.6 | Confident | 75.4 | Confident | 50 Ų | 50 | 99.6 Ų | 99.6 | 34% | 0.338 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 169.5 | -72.9 | 0 | 0 | 0 | 0 | 109.7 | I108 D114 S115 F116 | I108-C112 WeakPolarHBondContact O-CA 3.43Å; I108-C112 WeakPolarHBondContact O-CB 3.32Å; I108-C112 PolarHBondContact O-N 2.88Å; I108-C112 PolarHBondContact O-SG 3.34Å; C112-D114 VanDerWaalsContact C-N 3.35Å; C112-D114 PolarHBondContact O-N 3.47Å; C112-S115 CarbonylContact O-C 3.5Å; C112-S115 PolarHBondContact O-N 3.49Å; C112-S115 VanDerWaalsContact O-N 3.14Å; C112-F116 HydrophobicContact CB-CD2 3.87Å; C112-F116 HydrophobicContact CB-CE2 3.98Å; C112-F116 VanDerWaalsContact O-CB 3.27Å; C112-F116 WeakPolarHBondContact O-CB 3.43Å; C112-F116 WeakPolarHBondContact O-CD2 3.34Å; C112-F116 PolarHBondContact O-N 2.85Å |
| 113 | R | 77.7 | Confident | 73 | Confident | 143 Ų | 143 | 103.6 Ų | 103.6 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 175.7 | -170.9 | -177 | 79.9 | 160.7 | 4.5 | 109.7 | V109 M110 S115 F116 F117 | V109-R113 WeakPolarHBondContact O-CA 3.45Å; V109-R113 WeakPolarHBondContact O-CB 3.35Å; V109-R113 PolarHBondContact O-N 2.88Å; M110-R113 WeakPolarHBondContact O-CB 3.19Å; M110-R113 PolarHBondContact O-N 2.91Å; R113-S115 VanDerWaalsContact C-N 3.28Å; R113-S115 PolarHBondContact O-N 3.36Å; R113-F116 PolarHBondContact O-N 3.47Å; R113-F117 HydrophobicContact CB-CD2 4.31Å; R113-F117 HydrophobicContact CG-CD2 3.24Å; R113-F117 HydrophobicContact CG-CE2 3.39Å; R113-F117 HydrophobicContact CG-CG 4.37Å; R113-F117 VanDerWaalsContact O-CB 3.24Å; R113-F117 WeakPolarHBondContact O-CB 3.1Å; R113-F117 VanDerWaalsContact O-CD2 3.24Å; R113-F117 WeakPolarHBondContact O-CD2 3.48Å; R113-F117 PolarHBondContact O-N 3.17Å |
| 114 | D | 67.9 | Low | 70.8 | Confident | 86 Ų | 86 | 105.2 Ų | 105.2 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 178.3 | -62.1 | -22.9 | 0 | 0 | 0 | 111.4 | M110 R111 C112 S118 | M110-D114 VanDerWaalsContact O-CG 3.23Å; M110-D114 PolarHBondContact O-N 3.04Å; R111-D114 PolarHBondContact O-N 3.27Å; C112-D114 VanDerWaalsContact C-N 3.35Å; C112-D114 PolarHBondContact O-N 3.47Å; D114-S118 WeakPolarHBondContact O-CA 3.34Å; D114-S118 WeakPolarHBondContact O-CB 3.27Å; D114-S118 PolarHBondContact O-N 3.44Å |
| 115 | S | 64.1 | Low | 68.4 | Low | 62 Ų | 62 | 107.2 Ų | 107.2 | 43% | 0.434 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 174.6 | -71.1 | 0 | 0 | 0 | 0 | 114 | R111 C112 R113 Y119 | R111-S115 WeakPolarHBondContact O-CB 3.32Å; R111-S115 PolarHBondContact O-N 2.77Å; R111-S115 PolarHBondContact O-OG 3.38Å; C112-S115 CarbonylContact O-C 3.5Å; C112-S115 PolarHBondContact O-N 3.49Å; C112-S115 VanDerWaalsContact O-N 3.14Å; R113-S115 VanDerWaalsContact C-N 3.28Å; R113-S115 PolarHBondContact O-N 3.36Å; S115-Y119 WeakPolarHBondContact O-CB 3.49Å; S115-Y119 PolarHBondContact O-N 2.83Å; S115-Y119 VanDerWaalsContact O-N 3.07Å |
| 116 | F | 58.8 | Low | 66.1 | Low | 138 Ų | 138 | 112 Ų | 112 | 61% | 0.605 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.5 | -41.6 | -179.9 | -82.7 | -72.6 | 0 | 0 | 0 | 111.1 | C112 R113 H120 | C112-F116 HydrophobicContact CB-CD2 3.87Å; C112-F116 HydrophobicContact CB-CE2 3.98Å; C112-F116 VanDerWaalsContact O-CB 3.27Å; C112-F116 WeakPolarHBondContact O-CB 3.43Å; C112-F116 WeakPolarHBondContact O-CD2 3.34Å; C112-F116 PolarHBondContact O-N 2.85Å; R113-F116 PolarHBondContact O-N 3.47Å; F116-H120 WeakPolarHBondContact O-CB 3.11Å; F116-H120 PolarHBondContact O-CD2 3.32Å; F116-H120 VanDerWaalsContact O-CD2 3.27Å; F116-H120 PolarHBondContact O-N 3.35Å |
| 117 | F | 56.1 | Low | 63.7 | Low | 145 Ų | 145 | 114.8 Ų | 114.8 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.7 | -37.2 | 173.6 | -80.2 | -91.7 | 0 | 0 | 0 | 111.3 | R113 Y119 H120 D121 | R113-F117 HydrophobicContact CB-CD2 4.31Å; R113-F117 HydrophobicContact CG-CD2 3.24Å; R113-F117 HydrophobicContact CG-CE2 3.39Å; R113-F117 HydrophobicContact CG-CG 4.37Å; R113-F117 VanDerWaalsContact O-CB 3.24Å; R113-F117 WeakPolarHBondContact O-CB 3.1Å; R113-F117 VanDerWaalsContact O-CD2 3.24Å; R113-F117 WeakPolarHBondContact O-CD2 3.48Å; R113-F117 PolarHBondContact O-N 3.17Å; F117-Y119 VanDerWaalsContact C-N 3.34Å; F117-Y119 PolarHBondContact O-N 2.91Å; F117-H120 PolarHBondContact O-N 2.8Å; F117-D121 WeakPolarHBondContact O-CB 3.43Å; F117-D121 PolarHBondContact O-N 2.68Å |
| 118 | S | 52.7 | Low | 61.2 | Low | 83 Ų | 83 | 113.1 Ų | 113.1 | 58% | 0.58 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65 | -36.2 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | D114 A122 | D114-S118 WeakPolarHBondContact O-CA 3.34Å; D114-S118 WeakPolarHBondContact O-CB 3.27Å; D114-S118 PolarHBondContact O-N 3.44Å; S118-A122 PolarHBondContact O-N 2.96Å |
| 119 | Y | 51.2 | Low | 59.1 | Low | 197 Ų | 197 | 117 Ų | 117 | 77% | 0.773 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.2 | -37.3 | 174.3 | -132.3 | -92.8 | 0 | 0 | 0 | 112.7 | S115 F117 N123 | S115-Y119 WeakPolarHBondContact O-CB 3.49Å; S115-Y119 PolarHBondContact O-N 2.83Å; S115-Y119 VanDerWaalsContact O-N 3.07Å; F117-Y119 VanDerWaalsContact C-N 3.34Å; F117-Y119 PolarHBondContact O-N 2.91Å; Y119-N123 PolarHBondContact O-N 3.02Å |
| 120 | H | 51.5 | Low | 56.5 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 52% | 0.519 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.6 | -31.5 | 176.1 | -84 | -62.9 | 0 | 0 | 0 | 113.3 | F116 F117 A122 N123 I124 | F116-H120 WeakPolarHBondContact O-CB 3.11Å; F116-H120 PolarHBondContact O-CD2 3.32Å; F116-H120 VanDerWaalsContact O-CD2 3.27Å; F116-H120 PolarHBondContact O-N 3.35Å; F117-H120 PolarHBondContact O-N 2.8Å; H120-A122 VanDerWaalsContact C-N 3.33Å; H120-N123 CarbonylContact O-C 3.6Å; H120-N123 PolarHBondContact O-N 3.42Å; H120-I124 HydrophobicContact CB-CD1 4.03Å; H120-I124 WeakPolarHBondContact O-CB 3.39Å; H120-I124 WeakPolarHBondContact O-CD1 3.14Å; H120-I124 WeakPolarHBondContact O-CG1 3.25Å; H120-I124 PolarHBondContact O-N 3.25Å |
| 121 | D | 47.4 | Very low | 54.2 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -77.1 | -21.2 | 179.1 | -152 | 5.6 | 0 | 0 | 0 | 112 | F117 K125 | F117-D121 WeakPolarHBondContact O-CB 3.43Å; F117-D121 PolarHBondContact O-N 2.68Å; D121-K125 WeakPolarHBondContact O-CG 3.28Å |
| 122 | A | 52 | Low | 52.3 | Low | 80 Ų | 80 | 120.5 Ų | 120.5 | 66% | 0.661 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.8 | -26.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S118 H120 | S118-A122 PolarHBondContact O-N 2.96Å; H120-A122 VanDerWaalsContact C-N 3.33Å |
| 123 | N | 47.2 | Very low | 50.2 | Low | 121 Ų | 121 | 121.2 Ų | 121.2 | 65% | 0.647 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -95 | -26.8 | -179 | -162.3 | -76.1 | 0 | 0 | 0 | 113.2 | Y119 H120 | Y119-N123 PolarHBondContact O-N 3.02Å; H120-N123 CarbonylContact O-C 3.6Å; H120-N123 PolarHBondContact O-N 3.42Å |
| 124 | I | 49.7 | Very low | 48.1 | Very low | 90 Ų | 90 | 123 Ų | 123 | 46% | 0.462 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -84.2 | -8.8 | -179.3 | -71.2 | 167.3 | 0 | 0 | 0 | 112.9 | H120 Q126 T127 A128 | H120-I124 HydrophobicContact CB-CD1 4.03Å; H120-I124 WeakPolarHBondContact O-CB 3.39Å; H120-I124 WeakPolarHBondContact O-CD1 3.14Å; H120-I124 WeakPolarHBondContact O-CG1 3.25Å; H120-I124 PolarHBondContact O-N 3.25Å; I124-Q126 PolarHBondContact O-N 3.24Å; I124-Q126 VanDerWaalsContact O-N 3.08Å; I124-T127 PolarHBondContact O-N 3.37Å; I124-T127 VanDerWaalsContact O-N 3.17Å; I124-A128 PolarHBondContact O-N 2.92Å |
| 125 | K | 45 | Very low | 46.8 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 74% | 0.735 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -67.1 | -5.8 | 171.8 | -76.7 | 179.9 | -172.5 | -163.2 | 0 | 114.4 | D121 | D121-K125 WeakPolarHBondContact O-CG 3.28Š|
| 126 | Q | 45.3 | Very low | 45.7 | Very low | 179 Ų | 179 | 126.5 Ų | 126.5 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -103.4 | 4 | 173.9 | -135.5 | 172 | -3.2 | 0 | 0 | 114.5 | I124 | I124-Q126 PolarHBondContact O-N 3.24Å; I124-Q126 VanDerWaalsContact O-N 3.08Å |
| 127 | T | 45.8 | Very low | 45 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | | | trans | -148 | 28.6 | 176.1 | -11.4 | 0 | 0 | 0 | 0 | 114.4 | I124 I129 | I124-T127 PolarHBondContact O-N 3.37Å; I124-T127 VanDerWaalsContact O-N 3.17Å; T127-I129 PolarHBondContact O-N 3.27Å |
| 128 | A | 38.7 | Very low | 44.2 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | | | trans | -73.3 | 77.3 | 156 | 0 | 0 | 0 | 0 | 0 | 108.5 | I124 N130 | I124-A128 PolarHBondContact O-N 2.92Å; A128-N130 PolarHBondContact O-N 3.5Å; A128-N130 VanDerWaalsContact O-N 3.13Å |
| 129 | I | 47.8 | Very low | 43.9 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | -54.2 | 116.1 | 159.4 | 34.4 | 170.6 | 0 | 0 | 0 | 107.4 | T127 A131 | T127-I129 PolarHBondContact O-N 3.27Å; I129-A131 PolarHBondContact O-N 3.47Å |
| 130 | N | 35.4 | Very low | 43.4 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | | | trans | -42.6 | 102.6 | 170.3 | -68.7 | -36.8 | 0 | 0 | 0 | 109.8 | A128 L132 | A128-N130 PolarHBondContact O-N 3.5Å; A128-N130 VanDerWaalsContact O-N 3.13Å; N130-L132 PolarHBondContact O-N 2.8Å |
| 131 | A | 41.4 | Very low | 43.3 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -69.1 | 122.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | I129 | I129-A131 PolarHBondContact O-N 3.47Š|
| 132 | L | 43.1 | Very low | 43.1 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 96% | 0.963 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 89.9 | 60.3 | 163.8 | -140.5 | 68.4 | 0 | 0 | 0 | 117.2 | N130 | N130-L132 PolarHBondContact O-N 2.8Š|
| 133 | G | 34.9 | Very low | 42.7 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -149.9 | 95.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 134 | E | 33 | Very low | 42.7 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | 65.9 | 87.8 | 156.2 | -141.4 | 147 | -163.9 | 0 | 0 | 117.3 | T136 | E134-T136 PolarHBondContact O-N 3.32Š|
| 135 | A | 41.4 | Very low | 42.4 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | | | trans | -67.4 | 94.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 136 | T | 40.4 | Very low | 42.6 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | | | trans | -131.8 | 113.2 | 162.3 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | E134 | E134-T136 PolarHBondContact O-N 3.32Š|
| 137 | K | 45.3 | Very low | 42.8 | Very low | 198 Ų | 198 | 129.8 Ų | 129.8 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | 46.2 | 100.6 | 161.6 | -81.4 | 176.1 | 167 | 175.8 | 0 | 117.1 | | |
| 138 | S | 39 | Very low | 42.6 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | | -167.6 | 131.5 | 124.4 | 40 | 0 | 0 | 0 | 0 | 111.1 | A140 | S138-A140 PolarHBondContact O-N 2.88Š|
| 139 | N | 46.4 | Very low | 42.7 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | -60.8 | 129 | 167.4 | -68.8 | -60.9 | 0 | 0 | 0 | 109.4 | | |
| 140 | A | 40.3 | Very low | 42.3 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | -136.6 | 80.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S138 T142 | S138-A140 PolarHBondContact O-N 2.88Å; A140-T142 PolarHBondContact O-N 2.88Å |
| 141 | F | 50.4 | Low | 42.8 | Very low | 202 Ų | 202 | 130.9 Ų | 130.9 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | | | trans | -68.9 | 112.6 | 150.1 | -101.7 | -90.5 | 0 | 0 | 0 | 107.5 | | |
| 142 | T | 43.1 | Very low | 43 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -144.7 | 84.9 | 154.3 | 48.7 | 0 | 0 | 0 | 0 | 107.8 | A140 | A140-T142 PolarHBondContact O-N 2.88Š|
| 143 | S | 43.7 | Very low | 43.3 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | | 53.1 | 105.2 | 100.6 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 144 | G | 46.7 | Very low | 44 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 142.6 | 2.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 145 | G | 43.9 | Very low | 44.6 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -96.3 | 102.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 146 | I | 48.8 | Very low | 45.1 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | | | trans | 3.9 | 124.4 | 148 | -67.3 | 158.5 | 0 | 0 | 0 | 116 | Y148 | I146-Y148 HydrophobicContact CG2-CD2 3.66Å; I146-Y148 HydrophobicContact CG2-CE2 3.99Å; I146-Y148 PolarHBondContact O-N 3.49Å |
| 147 | L | 48.3 | Very low | 45.7 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -59 | 90.6 | 172.5 | -64.4 | 163 | 0 | 0 | 0 | 112.2 | | |
| 148 | Y | 42.9 | Very low | 46.1 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | trans | -141.4 | 138 | 155 | -79.5 | -78.2 | 0 | 0 | 0 | 109.3 | I146 C150 | I146-Y148 HydrophobicContact CG2-CD2 3.66Å; I146-Y148 HydrophobicContact CG2-CE2 3.99Å; I146-Y148 PolarHBondContact O-N 3.49Å; Y148-C150 PolarHBondContact O-N 3.01Å; Y148-C150 VanDerWaalsContact O-N 3.14Å |
| 149 | P | 41.2 | Very low | 46.7 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -61.9 | 119 | 178.1 | -17.9 | 30 | 0 | 0 | 0 | 110.2 | A151 | P149-A151 PolarHBondContact O-N 3.17Å; P149-A151 VanDerWaalsContact O-N 3.14Å |
| 150 | C | 39 | Very low | 47.1 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | | | trans | -57.3 | 115.2 | 166 | -74.9 | 0 | 0 | 0 | 0 | 109.3 | Y148 T152 | Y148-C150 PolarHBondContact O-N 3.01Å; Y148-C150 VanDerWaalsContact O-N 3.14Å; C150-T152 PolarHBondContact O-N 2.77Å |
| 151 | A | 45 | Very low | 47.7 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 60% | 0.603 | 74% | 0.735 | S | S | * | * | | | trans | -76.2 | 103.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | P149 | P149-A151 PolarHBondContact O-N 3.17Å; P149-A151 VanDerWaalsContact O-N 3.14Å |
| 152 | T | 45.2 | Very low | 47.9 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | | | trans | -56.8 | 137.4 | 158.6 | -52.1 | 0 | 0 | 0 | 0 | 108.2 | C150 N154 | C150-T152 PolarHBondContact O-N 2.77Å; T152-N154 PolarHBondContact O-N 3.45Å |
| 153 | A | 51.1 | Low | 48.5 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 10.6 | -161.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 154 | N | 48.6 | Very low | 49 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 8.5 | -173.9 | -74.4 | -21.5 | 0 | 0 | 0 | 115.8 | T152 | T152-N154 PolarHBondContact O-N 3.45Š|
| 155 | S | 45.8 | Very low | 49.3 | Very low | 51 Ų | 51 | 123.4 Ų | 123.4 | 36% | 0.357 | 69% | 0.693 | S | S | . | * | | | trans | -119.5 | 42.2 | -173.4 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 156 | R | 51 | Low | 49.5 | Very low | 230 Ų | 230 | 123.2 Ų | 123.2 | 87% | 0.868 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.2 | -30.5 | -176 | -140.4 | 179.5 | 169.2 | 99.7 | 2.5 | 113.3 | | |
| 157 | D | 53 | Low | 49.7 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -85.4 | -25 | -176.1 | -73 | -32.1 | 0 | 0 | 0 | 114.6 | | |
| 158 | L | 53.9 | Low | 49.9 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -81.9 | -30.2 | -176.5 | -147.1 | 152.6 | 0 | 0 | 0 | 112.1 | Q162 | L158-Q162 PolarHBondContact O-N 2.89Å |
| 159 | L | 53.1 | Low | 50.5 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 44% | 0.435 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -78.3 | -28.6 | -180 | -74.2 | 170.8 | 0 | 0 | 0 | 113.6 | S161 Q162 L163 | L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 3.24Å; L159-Q162 PolarHBondContact O-N 3.46Å; L159-L163 HydrophobicContact CB-CD1 4.48Å; L159-L163 WeakPolarHBondContact O-CB 3.42Å; L159-L163 WeakPolarHBondContact O-CD1 3.37Å; L159-L163 PolarHBondContact O-N 3.18Å |
| 160 | Q | 53.8 | Low | 51.1 | Low | 141 Ų | 141 | 115.1 Ų | 115.1 | 66% | 0.659 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.9 | -39.1 | 173.3 | -165.9 | 81.6 | 31.4 | 0 | 0 | 110.9 | V164 | Q160-V164 VanDerWaalsContact O-CG2 3.29Å; Q160-V164 WeakPolarHBondContact O-CG2 3.44Å; Q160-V164 PolarHBondContact O-N 3.33Å |
| 161 | S | 53.1 | Low | 51.6 | Low | 75 Ų | 75 | 117.9 Ų | 117.9 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.4 | -36.9 | 176.1 | 168.3 | 0 | 0 | 0 | 0 | 112.8 | L159 N165 | L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 3.24Å; S161-N165 PolarHBondContact O-ND2 2.8Å |
| 162 | Q | 53.7 | Low | 51.9 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 51% | 0.505 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.1 | -40.2 | 178.1 | -94.4 | -81.6 | -59.7 | 0 | 0 | 113.1 | L158 L159 V164 N165 D166 | L158-Q162 PolarHBondContact O-N 2.89Å; L159-Q162 PolarHBondContact O-N 3.46Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 PolarHBondContact O-N 3.43Å; Q162-N165 PolarHBondContact O-N 2.97Å; Q162-D166 PolarHBondContact O-N 3.32Å |
| 163 | L | 55.7 | Low | 52.3 | Low | 105 Ų | 105 | 116.9 Ų | 116.9 | 55% | 0.55 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.8 | -28.7 | 177.2 | -97.3 | 86.6 | 0 | 0 | 0 | 113.3 | L159 N165 L169 | L159-L163 HydrophobicContact CB-CD1 4.48Å; L159-L163 WeakPolarHBondContact O-CB 3.42Å; L159-L163 WeakPolarHBondContact O-CD1 3.37Å; L159-L163 PolarHBondContact O-N 3.18Å; L163-N165 VanDerWaalsContact C-N 3.35Å; L163-L169 HydrophobicContact CD2-CD2 4.21Å; L163-L169 HydrophobicContact CG-CD2 4.24Å |
| 164 | V | 54.8 | Low | 52.3 | Low | 114 Ų | 114 | 118.1 Ų | 118.1 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.7 | -23.6 | 177 | 172.5 | 0 | 0 | 0 | 0 | 112 | Q160 Q162 | Q160-V164 VanDerWaalsContact O-CG2 3.29Å; Q160-V164 WeakPolarHBondContact O-CG2 3.44Å; Q160-V164 PolarHBondContact O-N 3.33Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 PolarHBondContact O-N 3.43Å |
| 165 | N | 53.3 | Low | 52.5 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 65% | 0.647 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -90.1 | -19.1 | 179.6 | -95 | -66 | 0 | 0 | 0 | 114.2 | S161 Q162 L163 S167 | S161-N165 PolarHBondContact O-ND2 2.8Å; Q162-N165 PolarHBondContact O-N 2.97Å; L163-N165 VanDerWaalsContact C-N 3.35Å; N165-S167 PolarHBondContact O-N 2.73Å; N165-S167 VanDerWaalsContact O-N 3.08Å |
| 166 | D | 48.9 | Very low | 52.6 | Low | 74 Ų | 74 | 119.3 Ų | 119.3 | 40% | 0.396 | 62% | 0.623 | S | S | . | * | | | trans | -85.8 | 85.9 | -178.6 | -122.9 | -13.3 | 0 | 0 | 0 | 110.8 | Q162 R168 L169 | Q162-D166 PolarHBondContact O-N 3.32Å; D166-R168 PolarHBondContact O-N 2.84Å; D166-L169 PolarHBondContact O-N 3.41Å |
| 167 | S | 52.3 | Low | 52.3 | Low | 91 Ų | 91 | 114.8 Ų | 114.8 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -52.9 | -14.2 | 171.6 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | N165 | N165-S167 PolarHBondContact O-N 2.73Å; N165-S167 VanDerWaalsContact O-N 3.08Å |
| 168 | R | 53.1 | Low | 51.7 | Low | 178 Ų | 178 | 110.5 Ų | 110.5 | 67% | 0.672 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78.8 | -18.9 | 174.4 | -69.2 | -177.6 | -172.8 | -101.1 | 0.4 | 114.9 | D166 W171 | D166-R168 PolarHBondContact O-N 2.84Å; R168-W171 PolarHBondContact O-NE1 2.78Å |
| 169 | L | 53.7 | Low | 51.4 | Low | 89 Ų | 89 | 109.8 Ų | 109.8 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -83.5 | -23.8 | 175.3 | -112.2 | 73.2 | 0 | 0 | 0 | 112.4 | L163 D166 A172 | L163-L169 HydrophobicContact CD2-CD2 4.21Å; L163-L169 HydrophobicContact CG-CD2 4.24Å; D166-L169 PolarHBondContact O-N 3.41Å; L169-A172 PolarHBondContact O-N 3.3Å |
| 170 | L | 55.7 | Low | 50.9 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.1 | -30.4 | 178.9 | -83 | 159.2 | 0 | 0 | 0 | 113.1 | A172 T173 L174 | L170-A172 VanDerWaalsContact C-N 3.32Å; L170-T173 PolarHBondContact O-OG1 3.49Å; L170-L174 WeakPolarHBondContact O-CD1 3.41Å; L170-L174 WeakPolarHBondContact O-CG 3.45Å; L170-L174 PolarHBondContact O-N 3.06Å |
| 171 | W | 47.8 | Very low | 50.3 | Low | 182 Ų | 182 | 115.8 Ų | 115.8 | 69% | 0.689 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -18 | 175.3 | 64.4 | -102.4 | 0 | 0 | 0 | 113.3 | R168 T173 | R168-W171 PolarHBondContact O-NE1 2.78Å; W171-T173 VanDerWaalsContact C-N 3.34Å |
| 172 | A | 51.2 | Low | 49.6 | Very low | 64 Ų | 64 | 119.7 Ų | 119.7 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -12.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L169 L170 | L169-A172 PolarHBondContact O-N 3.3Å; L170-A172 VanDerWaalsContact C-N 3.32Å |
| 173 | T | 55.5 | Low | 49.2 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -0.3 | -177.3 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | L170 W171 | L170-T173 PolarHBondContact O-OG1 3.49Å; W171-T173 VanDerWaalsContact C-N 3.34Å |
| 174 | L | 50.5 | Low | 48.6 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | | | trans | -108 | 61.2 | 175.9 | -70.3 | 168.2 | 0 | 0 | 0 | 111.1 | L170 P176 | L170-L174 WeakPolarHBondContact O-CD1 3.41Å; L170-L174 WeakPolarHBondContact O-CG 3.45Å; L170-L174 PolarHBondContact O-N 3.06Å; L174-P176 WeakPolarHBondContact O-CD 3.08Å |
| 175 | T | 52.1 | Low | 48.1 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | | | trans | -90.4 | 103.4 | 153.2 | -25.8 | 0 | 0 | 0 | 0 | 106.2 | H177 | T175-H177 PolarHBondContact O-N 3.06Š|
| 176 | P | 49.3 | Very low | 47.2 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 83% | 0.831 | 66% | 0.658 | S | S | * | * | | | trans | -74.6 | 6.2 | -170.2 | 29.8 | -34.8 | 0 | 0 | 0 | 114 | L174 | L174-P176 WeakPolarHBondContact O-CD 3.08Š|
| 177 | H | 43.7 | Very low | 47.2 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 62% | 0.62 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -154.4 | 117.2 | -179.9 | -142.1 | -82.1 | 0 | 0 | 0 | 108.5 | T175 T179 | T175-H177 PolarHBondContact O-N 3.06Å; H177-T179 PolarHBondContact O-N 2.72Å |
| 178 | G | 40.7 | Very low | 46.8 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | | | trans | -53.7 | 132.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.3 | R180 | G178-R180 PolarHBondContact O-N 3.05Š|
| 179 | T | 46.8 | Very low | 46.5 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | | | trans | -63.2 | 84.8 | 174.6 | -33.9 | 0 | 0 | 0 | 0 | 108.1 | H177 H181 | H177-T179 PolarHBondContact O-N 2.72Å; T179-H181 PolarHBondContact O-N 2.81Å |
| 180 | R | 42.6 | Very low | 45.8 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | | | trans | -61.5 | 99.1 | 152.7 | -82.6 | -178 | 157.9 | 164.6 | -6.2 | 104.5 | G178 F182 | G178-R180 PolarHBondContact O-N 3.05Å; R180-F182 HydrophobicContact CB-CD2 4.05Å; R180-F182 HydrophobicContact CB-CE2 3.68Å; R180-F182 HydrophobicContact CB-CZ 4.22Å; R180-F182 PolarHBondContact O-N 2.75Å |
| 181 | H | 41.8 | Very low | 45.5 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | | | trans | -58.9 | 92.2 | 161.4 | -77.5 | -102.3 | 0 | 0 | 0 | 106.6 | T179 I183 | T179-H181 PolarHBondContact O-N 2.81Å; H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 PolarHBondContact O-N 3.42Å |
| 182 | F | 39.3 | Very low | 44.9 | Very low | 157 Ų | 157 | 136 Ų | 136 | 69% | 0.689 | 73% | 0.726 | S | S | * | * | | | trans | -75.4 | 100.6 | 156 | -67.3 | -79.1 | 0 | 0 | 0 | 105 | R180 I184 | R180-F182 HydrophobicContact CB-CD2 4.05Å; R180-F182 HydrophobicContact CB-CE2 3.68Å; R180-F182 HydrophobicContact CB-CZ 4.22Å; R180-F182 PolarHBondContact O-N 2.75Å; F182-I184 VanDerWaalsContact C-N 3.27Å; F182-I184 PolarHBondContact O-N 3.04Å |
| 183 | I | 44.7 | Very low | 44.7 | Very low | 149 Ų | 149 | 141 Ų | 141 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | trans | -61 | 103.1 | 156.4 | -60.8 | 167.6 | 0 | 0 | 0 | 103.8 | H181 E185 | H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 PolarHBondContact O-N 3.42Å; I183-E185 PolarHBondContact O-N 3.02Å |
| 184 | I | 42.6 | Very low | 44.5 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | trans | -71.4 | 89.7 | 164.8 | -65.3 | 167.8 | 0 | 0 | 0 | 104.1 | F182 N186 | F182-I184 VanDerWaalsContact C-N 3.27Å; F182-I184 PolarHBondContact O-N 3.04Å; I184-N186 HydrophobicContact CG2-CB 3.71Å; I184-N186 PolarHBondContact O-N 2.68Å |
| 185 | E | 44.3 | Very low | 44.3 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | | | trans | -71.1 | 70.9 | 160.4 | -167.4 | 167 | -151.4 | 0 | 0 | 106.4 | I183 S187 | I183-E185 PolarHBondContact O-N 3.02Å; E185-S187 VanDerWaalsContact C-N 3.32Å; E185-S187 PolarHBondContact O-N 3.02Å |
| 186 | N | 35.3 | Very low | 44.2 | Very low | 117 Ų | 117 | 142 Ų | 142 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | | | trans | -81.4 | 95.8 | 162.3 | -167.4 | 64.9 | 0 | 0 | 0 | 105.8 | I184 Q188 | I184-N186 HydrophobicContact CG2-CB 3.71Å; I184-N186 PolarHBondContact O-N 2.68Å; N186-Q188 VanDerWaalsContact C-N 3.31Å; N186-Q188 PolarHBondContact O-N 2.81Å |
| 187 | S | 48.9 | Very low | 44 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | trans | -48.9 | 97.2 | 157 | 41.9 | 0 | 0 | 0 | 0 | 109.4 | E185 | E185-S187 VanDerWaalsContact C-N 3.32Å; E185-S187 PolarHBondContact O-N 3.02Å |
| 188 | Q | 42.5 | Very low | 44 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -171.8 | 115.8 | 144.3 | -104.6 | 170.2 | 24.9 | 0 | 0 | 109.3 | N186 | N186-Q188 VanDerWaalsContact C-N 3.31Å; N186-Q188 PolarHBondContact O-N 2.81Å |
| 189 | D | 47.1 | Very low | 43.9 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | 22.2 | 99.6 | 149.7 | -63.3 | -50.7 | 0 | 0 | 0 | 116.9 | | |
| 190 | G | 38.6 | Very low | 43.6 | Very low | 69 Ų | 69 | 157.2 Ų | 157.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 175.5 | 66.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y192 | G190-Y192 PolarHBondContact O-N 3.11Š|
| 191 | H | 49.6 | Very low | 43.1 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | 20.5 | 88.1 | 141.8 | -120.4 | -49.5 | 0 | 0 | 0 | 117.3 | | |
| 192 | Y | 36.5 | Very low | 43 | Very low | 230 Ų | 230 | 154.9 Ų | 154.9 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -151.2 | 100 | 153.2 | -119.5 | -85.9 | 0 | 0 | 0 | 109.7 | G190 S194 | G190-Y192 PolarHBondContact O-N 3.11Å; Y192-S194 PolarHBondContact O-N 2.82Å |
| 193 | E | 45.8 | Very low | 42.7 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -73.7 | 120.4 | 166 | -72.6 | -154.1 | 158.5 | 0 | 0 | 109 | V195 | E193-V195 PolarHBondContact O-N 3.04Š|
| 194 | S | 51 | Low | 42.4 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -77.5 | 102 | 164.2 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | Y192 D196 | Y192-S194 PolarHBondContact O-N 2.82Å; S194-D196 PolarHBondContact O-N 2.98Å |
| 195 | V | 46.3 | Very low | 42.1 | Very low | 87 Ų | 87 | 152.6 Ų | 152.6 | 53% | 0.527 | 80% | 0.799 | S | S | . | * | | | trans | -81.1 | 101 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 110 | E193 Y197 | E193-V195 PolarHBondContact O-N 3.04Å; V195-Y197 HydrophobicContact CB-CD2 4.49Å; V195-Y197 HydrophobicContact CB-CE2 4.21Å; V195-Y197 HydrophobicContact CG1-CD2 3.55Å; V195-Y197 HydrophobicContact CG1-CE2 3.24Å; V195-Y197 HydrophobicContact CG1-CG 4.34Å |
| 196 | D | 50.9 | Low | 41.5 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -89.3 | 106.1 | 165.4 | -87.8 | -31.8 | 0 | 0 | 0 | 110.6 | S194 R198 | S194-D196 PolarHBondContact O-N 2.98Å; D196-R198 PolarHBondContact O-N 3.5Å; D196-R198 VanDerWaalsContact O-N 3.16Å |
| 197 | Y | 45 | Very low | 41.4 | Very low | 216 Ų | 216 | 157 Ų | 157 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | -78.6 | 84.4 | 171.3 | -76.2 | -90 | 0 | 0 | 0 | 110.8 | V195 | V195-Y197 HydrophobicContact CB-CD2 4.49Å; V195-Y197 HydrophobicContact CB-CE2 4.21Å; V195-Y197 HydrophobicContact CG1-CD2 3.55Å; V195-Y197 HydrophobicContact CG1-CE2 3.24Å; V195-Y197 HydrophobicContact CG1-CG 4.34Å |
| 198 | R | 43.6 | Very low | 40.5 | Very low | 243 Ų | 243 | 155.2 Ų | 155.2 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | | | trans | -149.3 | 100.3 | 162.2 | -154.3 | 175.9 | -165.3 | -117.4 | 3.7 | 112.9 | D196 | D196-R198 PolarHBondContact O-N 3.5Å; D196-R198 VanDerWaalsContact O-N 3.16Å |
| 199 | G | 37.8 | Very low | 40 | Very low | 78 Ų | 78 | 156.7 Ų | 156.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 91 | 78.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | S201 | G199-S201 PolarHBondContact O-N 2.98Š|
| 200 | K | 40.7 | Very low | 39.4 | Very low | 219 Ų | 219 | 157.4 Ų | 157.4 | 95% | 0.952 | 80% | 0.799 | S | S | * | * | | | trans | -64 | 119.1 | 158.9 | -73.3 | 165 | 173.6 | 175.7 | 0 | 110 | | |
| 201 | S | 33.4 | Very low | 39.2 | Very low | 122 Ų | 122 | 163.8 Ų | 163.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -136.5 | 109.3 | 140.3 | 63 | 0 | 0 | 0 | 0 | 108.5 | G199 | G199-S201 PolarHBondContact O-N 2.98Š|
| 202 | H | 38.5 | Very low | 38.4 | Very low | 180 Ų | 180 | 162.7 Ų | 162.7 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | | | trans | -87.9 | 143.8 | -176.5 | -158.2 | 50.9 | 0 | 0 | 0 | 109.8 | | |
| 203 | S | 34 | Very low | 38.5 | Very low | 95 Ų | 95 | 157.2 Ų | 157.2 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | | | trans | 76.1 | 139 | 160.4 | 91.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 204 | Q | 38.5 | Very low | 38.1 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | cis | -150.2 | 144.6 | 35.1 | -66.9 | -159.3 | -20.4 | 0 | 0 | 113.7 | | |
| 205 | V | 36.9 | Very low | 37.3 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -72.9 | 123.6 | 154.4 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 206 | F | 29.7 | Very low | 36.9 | Very low | 183 Ų | 183 | 161.3 Ų | 161.3 | 80% | 0.803 | 81% | 0.807 | S | S | * | * | | | trans | -141 | 114.2 | 161 | -155.1 | -95.5 | 0 | 0 | 0 | 111.1 | | |
| 207 | R | 33.5 | Very low | 36.4 | Very low | 205 Ų | 205 | 159.1 Ų | 159.1 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | | | trans | -91.4 | 125 | 171.8 | -171.5 | -170.1 | -120.5 | -133.7 | 3.9 | 106.8 | | |
| 208 | G | 31.4 | Very low | 36 | Very low | 60 Ų | 60 | 156.9 Ų | 156.9 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | | | trans | -157 | 127.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 209 | Y | 31.9 | Very low | 35.9 | Very low | 193 Ų | 193 | 148.4 Ų | 148.4 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | trans | -78.8 | 153.9 | -174.7 | -74.9 | -101.1 | 0 | 0 | 0 | 113.6 | | |
| 210 | E | 32.8 | Very low | 36 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | 45.2 | 124.8 | 151.7 | -68.6 | -169.2 | 138.5 | 0 | 0 | 121.6 | | |
| 211 | K | 34.5 | Very low | 35.9 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | | -165 | 128.2 | 113.7 | -147.6 | 170.9 | -178 | 177.3 | 0 | 112.8 | | |
| 212 | H | 34.5 | Very low | 36.4 | Very low | 166 Ų | 166 | 152.3 Ų | 152.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -73.7 | 127.6 | 171.9 | -158.4 | 73.8 | 0 | 0 | 0 | 110.5 | | |
| 213 | S | 36.9 | Very low | 36.6 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | -144 | 99 | 159.7 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 214 | Q | 39.3 | Very low | 36.8 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -22.6 | 151.8 | 146.2 | -61.8 | 176.2 | -7.3 | 0 | 0 | 113.2 | | |
| 215 | S | 34.1 | Very low | 36.7 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | cis | -178 | 142.4 | 12.5 | 46.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 216 | F | 36.2 | Very low | 37.3 | Very low | 190 Ų | 190 | 149 Ų | 149 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | | | trans | -153.7 | 107.4 | 134.9 | -170.8 | -102 | 0 | 0 | 0 | 109.2 | K218 | F216-K218 HydrophobicContact CE1-CB 4.43Š|
| 217 | V | 40.3 | Very low | 37.8 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | trans | -86.6 | 137.8 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 218 | K | 38.1 | Very low | 38.4 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 74% | 0.735 | 76% | 0.76 | S | S | * | * | | | trans | -146.3 | 76 | 146.7 | -164.1 | 171.7 | -176.9 | 179 | 0 | 107.5 | F216 | F216-K218 HydrophobicContact CE1-CB 4.43Š|
| 219 | S | 41.7 | Very low | 39.3 | Very low | 65 Ų | 65 | 151.9 Ų | 151.9 | 46% | 0.455 | 77% | 0.768 | S | S | . | * | | | | 47.8 | 94.9 | 94.5 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 220 | F | 39.2 | Very low | 39.9 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 90% | 0.899 | 77% | 0.774 | S | S | * | * | | | trans | -135.4 | 95.8 | 130.1 | -91.4 | -76.1 | 0 | 0 | 0 | 107.5 | | |
| 221 | D | 38.2 | Very low | 40.5 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -56.4 | 132.9 | 164.8 | -67.1 | -70.7 | 0 | 0 | 0 | 110.5 | | |
| 222 | N | 44.2 | Very low | 41.4 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -135.1 | 106.4 | 138.2 | -160.1 | 2.6 | 0 | 0 | 0 | 108.9 | | |
| 223 | N | 42.9 | Very low | 42.1 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -47 | 153.1 | 179.7 | -64.3 | -11.9 | 0 | 0 | 0 | 115.2 | | |
| 224 | G | 37.5 | Very low | 42.5 | Very low | 72 Ų | 72 | 146.6 Ų | 146.6 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | trans | 151.9 | 107.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 225 | F | 36.5 | Very low | 43.2 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | | | trans | 83.8 | 90 | 161.3 | -94.9 | -100.7 | 0 | 0 | 0 | 117.4 | | |
| 226 | V | 49 | Very low | 43.9 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 65% | 0.648 | 76% | 0.758 | S | S | * | * | | | | 87.1 | 104.7 | 79.9 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 227 | D | 41.9 | Very low | 44.6 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | 23.1 | 114.7 | 139.2 | -48.8 | -27.4 | 0 | 0 | 0 | 118.4 | | |
| 228 | Y | 46 | Very low | 44.9 | Very low | 233 Ų | 233 | 146.6 Ų | 146.6 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | | | trans | -136.7 | 103.4 | 131.7 | -105.6 | -80.7 | 0 | 0 | 0 | 108.4 | Y230 | Y228-Y230 PolarHBondContact O-N 3.36Š|
| 229 | D | 49.5 | Very low | 45.1 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | trans | -53.4 | 121.8 | 156.5 | -68.9 | -49.7 | 0 | 0 | 0 | 109 | | |
| 230 | Y | 44.5 | Very low | 45.4 | Very low | 222 Ų | 222 | 151 Ų | 151 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | | | trans | -136.1 | 85.9 | 156.3 | -150.3 | -92.2 | 0 | 0 | 0 | 108.1 | Y228 | Y228-Y230 PolarHBondContact O-N 3.36Š|
| 231 | E | 46.5 | Very low | 45.7 | Very low | 163 Ų | 163 | 149 Ų | 149 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | 16.9 | 106.4 | 143.5 | -64.3 | -82.3 | 112.6 | 0 | 0 | 115.9 | | |
| 232 | D | 52.7 | Low | 46.1 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -69.4 | 139.1 | 148.8 | -171.3 | 25.7 | 0 | 0 | 0 | 107.5 | T234 | D232-T234 PolarHBondContact OD1-N 2.79Å; D232-T234 VanDerWaalsContact OD1-N 3.13Å |
| 233 | P | 48.7 | Very low | 46.4 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | | | | -152.8 | 127 | 93.4 | 35.6 | -14 | 0 | 0 | 0 | 115.8 | | |
| 234 | T | 45.5 | Very low | 46.9 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | trans | 72.9 | 148.9 | 136.4 | 13.6 | 0 | 0 | 0 | 0 | 122 | D232 | D232-T234 PolarHBondContact OD1-N 2.79Å; D232-T234 VanDerWaalsContact OD1-N 3.13Å |
| 235 | P | 54.3 | Low | 47.6 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | trans | -99.2 | 157.8 | -168.7 | 39 | -27.3 | 0 | 0 | 0 | 112.8 | | |
| 236 | L | 48 | Very low | 48.2 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -132.3 | 114 | 164.2 | -84.1 | 164.3 | 0 | 0 | 0 | 111.1 | | |
| 237 | M | 51.4 | Low | 47.9 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | | | trans | -92.9 | 109.6 | 164.2 | -139.2 | -66.5 | -64.6 | 0 | 0 | 105.3 | | |
| 238 | D | 45.6 | Very low | 48 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | | | trans | -158.7 | 141.8 | 170 | -70.6 | -53.5 | 0 | 0 | 0 | 106 | | |
| 239 | S | 43.3 | Very low | 47.7 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | cis | -168.2 | 132.7 | -16.9 | 174.6 | 0 | 0 | 0 | 0 | 102.7 | | |
| 240 | Y | 47.4 | Very low | 47.6 | Very low | 225 Ų | 225 | 151.1 Ų | 151.1 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | -68.4 | 150.4 | 164.1 | -85.7 | -100.8 | 0 | 0 | 0 | 109.6 | | |
| 241 | H | 45.5 | Very low | 47.8 | Very low | 162 Ų | 162 | 146 Ų | 146 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | | | trans | 162.7 | 108.4 | 148.3 | -88.4 | -58.1 | 0 | 0 | 0 | 107.6 | | |
| 242 | D | 46.6 | Very low | 47.5 | Very low | 131 Ų | 131 | 147 Ų | 147 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | | 96.2 | 102 | 86.7 | -89.9 | -25 | 0 | 0 | 0 | 111.8 | | |
| 243 | D | 51.7 | Low | 47.2 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | -146.9 | 91.8 | 152.3 | -72.1 | -49 | 0 | 0 | 0 | 105.5 | | |
| 244 | M | 53.1 | Low | 46.7 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | | 42.9 | 82.3 | 90.8 | -75.8 | -68.8 | -166.1 | 0 | 0 | 114.4 | | |
| 245 | D | 51.4 | Low | 46.3 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | trans | -168.4 | 100.2 | 135.9 | -124.5 | -16 | 0 | 0 | 0 | 108.8 | | |
| 246 | S | 50.2 | Low | 45.4 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | | 55.8 | 112.7 | 76.7 | 114.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 247 | G | 43.1 | Very low | 44.8 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | 162.6 | 46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q249 | G247-Q249 PolarHBondContact O-N 3.44Š|
| 248 | Y | 42.7 | Very low | 44.1 | Very low | 227 Ų | 227 | 144.3 Ų | 144.3 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -58.4 | 127.7 | 157.6 | -113.5 | -100.2 | 0 | 0 | 0 | 108.8 | | |
| 249 | Q | 41.1 | Very low | 43.9 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -148.9 | 129.4 | 153.6 | -162 | 64.8 | 32.3 | 0 | 0 | 110.8 | G247 | G247-Q249 PolarHBondContact O-N 3.44Š|
| 250 | E | 46.2 | Very low | 43.6 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | -63.1 | 165.9 | -167.5 | -83.5 | 179.8 | 154.2 | 0 | 0 | 118 | | |
| 251 | P | 48.2 | Very low | 43.1 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -81.2 | 132.1 | 178.6 | 33.3 | -31.8 | 0 | 0 | 0 | 112 | | |
| 252 | H | 41.8 | Very low | 42.5 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -111.7 | 110.4 | 165.1 | -90.5 | -74.9 | 0 | 0 | 0 | 111 | | |
| 253 | E | 45.3 | Very low | 41.8 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | -75.7 | 164 | 161.8 | 36.7 | -167.9 | 139.1 | 0 | 0 | 111.3 | | |
| 254 | V | 38.6 | Very low | 41.1 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | | | trans | 122.4 | 99.2 | 156.6 | -177 | 0 | 0 | 0 | 0 | 116.3 | | |
| 255 | T | 36.9 | Very low | 40.1 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | trans | 48.7 | 125.2 | 141.3 | 60.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 256 | G | 36.2 | Very low | 39.2 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | | 121.7 | 130.8 | 114.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 257 | S | 34.9 | Very low | 38.3 | Very low | 103 Ų | 103 | 152 Ų | 152 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | | | trans | 102.5 | 108.1 | 142 | -148.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 258 | L | 37.3 | Very low | 37.6 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | trans | 69.2 | 112.8 | 132.8 | -68.5 | 167.8 | 0 | 0 | 0 | 120.9 | | |
| 259 | K | 39.9 | Very low | 37.1 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 34.8 | 113.8 | 131.3 | -77.5 | -172.9 | 173.3 | -178.1 | 0 | 117.6 | | |
| 260 | R | 36.6 | Very low | 36.7 | Very low | 247 Ų | 247 | 147 Ų | 147 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | | | | -163.4 | 121.5 | 122.8 | -116.2 | 175.2 | -131.8 | -149.2 | 1.9 | 112.1 | | |
| 261 | S | 37.8 | Very low | 36 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | -61.5 | 141.4 | 158.1 | -44.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 262 | A | 33.4 | Very low | 35.2 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -147.8 | 132.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 263 | M | 31.1 | Very low | 34.9 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | | | trans | -73.6 | 162.5 | -174.3 | -157.8 | 159.1 | 84 | 0 | 0 | 111.3 | | |
| 264 | R | 38.3 | Very low | 35 | Very low | 228 Ų | 228 | 140.9 Ų | 140.9 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -60 | 158.9 | 175 | -65.5 | 177.6 | 179.2 | 155.5 | -1 | 113.5 | | |
| 265 | T | 30.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | | | trans | 101.7 | 115.7 | 143.6 | -46.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 266 | V | 33 | Very low | 34.4 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -158.8 | 109.5 | 130.7 | -154.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 267 | E | 32 | Very low | 34 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | | 62.4 | 123.6 | 75.8 | -96.8 | -175.7 | 177.3 | 0 | 0 | 117.3 | | |
| 268 | S | 27.7 | Very low | 33.7 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -169.2 | 130.9 | 159.1 | -141.2 | 0 | 0 | 0 | 0 | 105.3 | | |
| 269 | L | 31.6 | Very low | 33.3 | Very low | 135 Ų | 135 | 137 Ų | 137 | 71% | 0.707 | 79% | 0.792 | S | S | * | * | | | cis | -172.3 | 135.2 | 5.7 | -179.2 | 71 | 0 | 0 | 0 | 107 | | |
| 270 | N | 32 | Very low | 32.9 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | | | trans | 53.7 | 147.9 | 149.8 | -55.9 | -10.7 | 0 | 0 | 0 | 120.2 | | |
| 271 | T | 31.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | | | cis | -168.7 | 156.9 | 30.6 | -23.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 272 | D | 32.9 | Very low | 32.5 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 88.9 | 90.2 | 152.9 | -56.9 | -30.6 | 0 | 0 | 0 | 121.9 | | |
| 273 | T | 35.5 | Very low | 32.4 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -27.8 | 174.8 | 139.7 | 23.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 274 | P | 46.6 | Very low | 32.3 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | | | cis | -127.4 | 175.2 | -25.4 | 28.9 | -7.3 | 0 | 0 | 0 | 110.1 | | |
| 275 | T | 31.4 | Very low | 31.9 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | | | | 174.3 | 133.6 | 79.9 | -41.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 276 | S | 30.7 | Very low | 31.9 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | 29.8 | 125.9 | 148.7 | 66.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 277 | G | 27.7 | Very low | 31.8 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | | | cis | 118.2 | 142.9 | 36.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 278 | G | 28.4 | Very low | 31.7 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | 117.1 | 91.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 279 | S | 30.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | | 53.5 | 146.1 | 118 | -49.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 280 | S | 31 | Very low | 32 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | 87.4 | 102.4 | 147.8 | -57.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 281 | S | 33.1 | Very low | 31.9 | Very low | 102 Ų | 102 | 119.7 Ų | 119.7 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | | 84.9 | 113.7 | 81.7 | 75.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 282 | N | 32.3 | Very low | 32 | Very low | 128 Ų | 128 | 121.7 Ų | 121.7 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | | 66.4 | 129.4 | 126.8 | -92.7 | -2.8 | 0 | 0 | 0 | 122.4 | | |
| 283 | Y | 30.5 | Very low | 31.9 | Very low | 194 Ų | 194 | 121.8 Ų | 121.8 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | trans | 86 | 140.8 | 145.4 | -64.2 | -62.5 | 0 | 0 | 0 | 121.8 | | |
| 284 | H | 29.9 | Very low | 32.1 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | 96.3 | 96.5 | 156.8 | -79.1 | -72.3 | 0 | 0 | 0 | 120.8 | | |
| 285 | T | 30.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | | 33.2 | 131.9 | 119.8 | 43.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 286 | S | 30 | Very low | 32.2 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 95.5 | 108.5 | 135.3 | -63.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 287 | A | 32 | Very low | 32.3 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | 79.3 | 135.3 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 288 | N | 29.4 | Very low | 32.8 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | 96 | 114.7 | 153.6 | -92.5 | -12.7 | 0 | 0 | 0 | 120.2 | | |
| 289 | Q | 32.9 | Very low | 33.4 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | 106 | 118.3 | 130.7 | -80.5 | -169 | 26.7 | 0 | 0 | 120.1 | | |
| 290 | I | 32.8 | Very low | 33.7 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | 84.3 | 116.3 | 137.4 | -60.8 | 162.5 | 0 | 0 | 0 | 117.6 | | |
| 291 | G | 30.2 | Very low | 34.2 | Very low | 62 Ų | 62 | 144.6 Ų | 144.6 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | | 130.8 | 113.7 | 126.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 292 | N | 33.2 | Very low | 34.3 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | 80.7 | 91.4 | 151.8 | -63.1 | -14.5 | 0 | 0 | 0 | 119.4 | | |
| 293 | T | 32 | Very low | 34.4 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | | | trans | -113.6 | 117.5 | 142.9 | 43.9 | 0 | 0 | 0 | 0 | 109 | | |
| 294 | K | 38.1 | Very low | 34.7 | Very low | 212 Ų | 212 | 147.2 Ų | 147.2 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | | | trans | -100.9 | 109.6 | 165.1 | -78.1 | -175.8 | 177.4 | 179.4 | 0 | 107.6 | | |
| 295 | S | 37.1 | Very low | 35.6 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 135.3 | 170 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 296 | I | 42.9 | Very low | 36 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.8 | 177.9 | -80.6 | 167.4 | 0 | 0 | 0 | 110.2 | | |
| 297 | S | 32.9 | Very low | 37 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 130.8 | -169.2 | -167.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 298 | R | 38.7 | Very low | 37.4 | Very low | 240 Ų | 240 | 154 Ų | 154 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 125.5 | 159.3 | -64.3 | -176 | -144.8 | 174.4 | 6.2 | 108.3 | | |
| 299 | K | 40.3 | Very low | 37.8 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | | | trans | -99.5 | 114.9 | 168.1 | -80.4 | -175.2 | 172.7 | -172.8 | 0 | 109.8 | | |
| 300 | T | 38.7 | Very low | 37.9 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | | | trans | -112.4 | 122.9 | 161.9 | 45.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 301 | T | 39.9 | Very low | 38.1 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | | | trans | -110.7 | 110.5 | 171.1 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 302 | L | 35.3 | Very low | 38.7 | Very low | 152 Ų | 152 | 155 Ų | 155 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | | | trans | -92.9 | 127.8 | 170.8 | 176.1 | 146 | 0 | 0 | 0 | 107.7 | R304 | L302-R304 HydrophobicContact CD2-CB 4.05Š|
| 303 | S | 35.4 | Very low | 39 | Very low | 121 Ų | 121 | 155 Ų | 155 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | | | trans | -111.8 | 114.8 | 171.3 | -168.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 304 | R | 36.9 | Very low | 39.2 | Very low | 205 Ų | 205 | 151.7 Ų | 151.7 | 77% | 0.774 | 83% | 0.827 | S | S | * | * | | | trans | -132.1 | 114.9 | 172.3 | -148.5 | -176.3 | -158.9 | -155.5 | 5.4 | 106.7 | L302 | L302-R304 HydrophobicContact CD2-CB 4.05Š|
| 305 | R | 47.8 | Very low | 39.6 | Very low | 246 Ų | 246 | 147.9 Ų | 147.9 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | | | trans | -121.5 | 119.2 | 159.9 | -92.8 | -173.2 | 177.2 | 165.6 | -0.4 | 107.2 | | |
| 306 | I | 39.6 | Very low | 39.6 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 59% | 0.59 | 82% | 0.819 | S | S | * | * | | | trans | -114.7 | 136.7 | 166.1 | -58 | 170.9 | 0 | 0 | 0 | 104.7 | | |
| 307 | S | 50.1 | Low | 39.2 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | | | trans | -140.9 | 135.3 | 159.7 | -59.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 308 | D | 40.2 | Very low | 39.5 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | | | trans | -81.4 | 153.4 | -158.7 | -68.2 | -62.6 | 0 | 0 | 0 | 116.1 | | |
| 309 | A | 38.7 | Very low | 39.6 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | | | trans | 50 | 124 | 135.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 310 | S | 34.7 | Very low | 39.5 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | | | | -145.7 | 133.5 | 115.5 | 77.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 311 | S | 37.8 | Very low | 39.6 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | | | trans | -104.3 | 129.7 | 174 | 127.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 312 | Q | 42.7 | Very low | 39.5 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | | | trans | -144.6 | 104.1 | 150.5 | -112.4 | 175.5 | 19.3 | 0 | 0 | 111 | | |
| 313 | N | 39 | Very low | 39.8 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 82% | 0.824 | 84% | 0.844 | S | S | * | * | | | trans | -13 | 143.2 | 149.8 | -148 | 11.9 | 0 | 0 | 0 | 118 | | |
| 314 | G | 35.8 | Very low | 40.1 | Very low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | | | trans | 171 | 75.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 315 | T | 47.1 | Very low | 40.4 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | | | trans | -80.2 | 131.4 | 161.1 | 40 | 0 | 0 | 0 | 0 | 111.8 | | |
| 316 | S | 36 | Very low | 39.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | | | trans | 179.1 | 122.3 | 144.6 | 45.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 317 | M | 35.6 | Very low | 39.8 | Very low | 265 Ų | 265 | 139.9 Ų | 139.9 | 100% | 1.305 | 87% | 0.866 | S | S | * | * | | | | 45.8 | 0 | 95.5 | -75.6 | -149.1 | -168.5 | 0 | 0 | 113.7 | | |