| 1 | M | 44 | Very low | 43.2 | Very low | 246 Ų | 246 | 148.7 Ų | 148.7 | 100% | 1.212 | 82% | 0.817 | S | S | * | * | | | | 0 | 134.4 | 0 | -74 | 166.1 | 170.1 | 0 | 0 | 107.6 | | |
| 2 | F | 45.6 | Very low | 43 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | -90.5 | 142.2 | 179 | -80.2 | -94.5 | 0 | 0 | 0 | 111.1 | | |
| 3 | N | 40.6 | Very low | 43.5 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | 175.7 | 140 | 141.3 | -94.5 | -34.4 | 0 | 0 | 0 | 106.4 | | |
| 4 | S | 48.2 | Very low | 43.1 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | cis | 176.1 | 126.5 | -15.1 | 42.3 | 0 | 0 | 0 | 0 | 103 | | |
| 5 | V | 48.2 | Very low | 43 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | | | trans | -39.1 | 149.8 | 169.6 | -77.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 6 | N | 44.9 | Very low | 42.8 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | | -165.5 | 145.7 | 106.1 | -100.5 | -64.2 | 0 | 0 | 0 | 113.6 | | |
| 7 | L | 50.8 | Low | 42.5 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -94 | 156.7 | 171.4 | -105.7 | 69.4 | 0 | 0 | 0 | 110.2 | | |
| 8 | G | 38.5 | Very low | 42.3 | Very low | 66 Ų | 66 | 151.4 Ų | 151.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | trans | 77.1 | 172.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 9 | N | 39.3 | Very low | 42.3 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | cis | -160.9 | 149.4 | -3.1 | -128.7 | 4.9 | 0 | 0 | 0 | 109 | | |
| 10 | F | 38.6 | Very low | 42.1 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 77% | 0.772 | 80% | 0.802 | S | S | * | * | | | trans | 73.6 | 152.7 | 145.9 | -80 | -139.1 | 0 | 0 | 0 | 120.9 | | |
| 11 | C | 36 | Very low | 42.3 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | | | trans | 61.5 | 100.4 | 154.4 | -68.2 | 0 | 0 | 0 | 0 | 118.8 | P13 | C11-P13 WeakPolarHBondContact O-CD 3.37Š|
| 12 | S | 41.8 | Very low | 41.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 127.7 | 139.5 | -38.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 13 | P | 48.4 | Very low | 41.8 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 131.3 | 156.2 | 32.1 | -27.2 | 0 | 0 | 0 | 109.3 | C11 | C11-P13 WeakPolarHBondContact O-CD 3.37Š|
| 14 | S | 38.7 | Very low | 41.9 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 151.9 | 174.6 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 15 | R | 42 | Very low | 42.1 | Very low | 233 Ų | 233 | 146.6 Ų | 146.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | 79.8 | 116.4 | 141.8 | -150.9 | -165.6 | -172 | -161.1 | 4.3 | 118.6 | | |
| 16 | K | 39.3 | Very low | 42.2 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 74% | 0.735 | 80% | 0.798 | S | S | * | * | | | trans | 105.9 | 114.9 | 139.7 | -145.5 | -178 | 173.8 | -170.6 | 0 | 118.2 | | |
| 17 | E | 36.9 | Very low | 42 | Very low | 121 Ų | 121 | 142 Ų | 142 | 57% | 0.565 | 79% | 0.793 | S | S | * | * | | | trans | 105.8 | 137.7 | 140.1 | -122.9 | 178.4 | -114.6 | 0 | 0 | 120.2 | | |
| 18 | R | 39.5 | Very low | 41.9 | Very low | 214 Ų | 214 | 140.4 Ų | 140.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | trans | 66.1 | 78.5 | 165.3 | -79.4 | 170.7 | -87.3 | 148.9 | -5.9 | 118.2 | | |
| 19 | G | 42.1 | Very low | 42.1 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | | 33.5 | 114.6 | 120.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 20 | A | 39.4 | Very low | 42.7 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -152.4 | 144.2 | 138.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 21 | D | 44.6 | Very low | 43.1 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -59.2 | 146.8 | 178.7 | -48.1 | -98.1 | 0 | 0 | 0 | 112.7 | | |
| 22 | F | 36.2 | Very low | 43.9 | Very low | 218 Ų | 218 | 140.3 Ų | 140.3 | 96% | 0.956 | 80% | 0.797 | S | S | * | * | | | trans | 168.7 | 150.2 | 131.3 | -112.3 | -107.8 | 0 | 0 | 0 | 111 | | |
| 23 | G | 43.3 | Very low | 44.4 | Very low | 65 Ų | 65 | 143.9 Ų | 143.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | | | trans | 122.9 | 35.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | R25 | G23-R25 PolarHBondContact O-N 2.97Š|
| 24 | E | 43.3 | Very low | 44.7 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -55.5 | 104.4 | 167 | -175 | 176.5 | -174.6 | 0 | 0 | 111.1 | | |
| 25 | R | 51.1 | Low | 45.4 | Very low | 251 Ų | 251 | 145.4 Ų | 145.4 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | | | trans | -128.3 | 105.3 | 165.1 | -87.3 | -167.2 | 175.2 | -126 | 0.6 | 109.8 | G23 | G23-R25 PolarHBondContact O-N 2.97Š|
| 26 | G | 51.2 | Low | 45.9 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | 110.3 | 76.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 27 | S | 40.6 | Very low | 46 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | -143.9 | 119.1 | 139.3 | -165.1 | 0 | 0 | 0 | 0 | 110.9 | A29 | S27-A29 PolarHBondContact O-N 3.02Š|
| 28 | C | 49.3 | Very low | 46.3 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 92% | 0.919 | 79% | 0.793 | S | S | * | * | | | trans | -75.1 | 101.9 | 171.9 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 29 | A | 43.1 | Very low | 46.5 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 57% | 0.57 | 79% | 0.793 | S | S | * | * | | | trans | -160.7 | 131.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S27 N31 | S27-A29 PolarHBondContact O-N 3.02Å; A29-N31 PolarHBondContact O-N 3.46Å; A29-N31 PolarHBondContact O-ND2 3Å |
| 30 | S | 52.2 | Low | 46.7 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -25.3 | 116 | 160.9 | 50.6 | 0 | 0 | 0 | 0 | 116 | | |
| 31 | N | 45.2 | Very low | 47.1 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -136.6 | 90 | 161.3 | -81.3 | -69.9 | 0 | 0 | 0 | 110 | A29 Y33 | A29-N31 PolarHBondContact O-N 3.46Å; A29-N31 PolarHBondContact O-ND2 3Å; N31-Y33 PolarHBondContact O-N 2.98Å; N31-Y33 VanDerWaalsContact O-N 3.09Å |
| 32 | L | 54 | Low | 47.5 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -78.3 | 29 | 173 | -75.7 | 168 | 0 | 0 | 0 | 112.6 | | |
| 33 | Y | 51.8 | Low | 47.9 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | | | trans | -103.6 | 106.6 | -177.9 | -74.2 | -77.9 | 0 | 0 | 0 | 110.1 | N31 P35 | N31-Y33 PolarHBondContact O-N 2.98Å; N31-Y33 VanDerWaalsContact O-N 3.09Å; Y33-P35 VanDerWaalsContact O-CD 3.29Å; Y33-P35 WeakPolarHBondContact O-CD 3.29Å |
| 34 | L | 55.6 | Low | 48.1 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | | | trans | -69.2 | 116.8 | 162.2 | -88.9 | 74.7 | 0 | 0 | 0 | 108.4 | S36 | L34-S36 PolarHBondContact O-N 3.24Š|
| 35 | P | 52.3 | Low | 48.3 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 55.7 | -179.4 | 35.9 | -34.8 | 0 | 0 | 0 | 110.9 | Y33 | Y33-P35 VanDerWaalsContact O-CD 3.29Å; Y33-P35 WeakPolarHBondContact O-CD 3.29Å |
| 36 | S | 53 | Low | 48.5 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.8 | 20.6 | -177.9 | -87.6 | 0 | 0 | 0 | 0 | 116 | L34 | L34-S36 PolarHBondContact O-N 3.24Š|
| 37 | C | 41.1 | Very low | 48.1 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | | | trans | -98.7 | 83.3 | 171.7 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | Y39 | C37-Y39 PolarHBondContact O-N 3.35Š|
| 38 | T | 44.4 | Very low | 48.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -62.5 | 117.9 | 169.9 | 39.4 | 0 | 0 | 0 | 0 | 110.3 | Y40 | T38-Y40 PolarHBondContact O-N 3.42Š|
| 39 | Y | 43.1 | Very low | 48.6 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -76 | 89.1 | -173.8 | -162.6 | -99 | 0 | 0 | 0 | 110.4 | C37 M41 | C37-Y39 PolarHBondContact O-N 3.35Å; Y39-M41 HydrophobicContact CD1-CG 3.71Å; Y39-M41 HydrophobicContact CE1-CG 3.49Å; Y39-M41 VanDerWaalsContact CE1-CG 3.49Å; Y39-M41 HydrophobicContact CE1-SD 4.11Å; Y39-M41 PolarHBondContact O-N 3.09Å |
| 40 | Y | 45.2 | Very low | 49 | Very low | 207 Ų | 207 | 142 Ų | 142 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -73.7 | 90.9 | 170.4 | -79 | -78.4 | 0 | 0 | 0 | 110.2 | T38 P42 | T38-Y40 PolarHBondContact O-N 3.42Å; Y40-P42 WeakPolarHBondContact O-CD 3.46Å |
| 41 | M | 49.5 | Very low | 49.1 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 64% | 0.64 | 77% | 0.768 | S | S | * | * | | | trans | -67 | 130.5 | 158.4 | -81.3 | -171.4 | 64.6 | 0 | 0 | 109.5 | Y39 E43 | Y39-M41 HydrophobicContact CD1-CG 3.71Å; Y39-M41 HydrophobicContact CE1-CG 3.49Å; Y39-M41 VanDerWaalsContact CE1-CG 3.49Å; Y39-M41 HydrophobicContact CE1-SD 4.11Å; Y39-M41 PolarHBondContact O-N 3.09Å; M41-E43 PolarHBondContact O-N 2.93Å; M41-E43 VanDerWaalsContact O-N 3.12Å |
| 42 | P | 52.6 | Low | 49.2 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -71.2 | 98.7 | 157.9 | -12.5 | 29.3 | 0 | 0 | 0 | 108.2 | Y40 F44 | Y40-P42 WeakPolarHBondContact O-CD 3.46Å; P42-F44 PolarHBondContact O-N 3.03Å |
| 43 | E | 43.8 | Very low | 48.9 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -67 | 129 | 167.8 | -71.1 | -171.7 | 145.1 | 0 | 0 | 109.5 | M41 S45 | M41-E43 PolarHBondContact O-N 2.93Å; M41-E43 VanDerWaalsContact O-N 3.12Å; E43-S45 PolarHBondContact O-N 3.23Å |
| 44 | F | 47 | Very low | 48.6 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | trans | -70 | 98.8 | 174.2 | -73.9 | -93.2 | 0 | 0 | 0 | 109.3 | P42 T46 | P42-F44 PolarHBondContact O-N 3.03Å; F44-T46 PolarHBondContact O-N 3.12Å |
| 45 | S | 48.6 | Very low | 48.1 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -65.9 | 102.5 | 172 | -173.2 | 0 | 0 | 0 | 0 | 110 | E43 | E43-S45 PolarHBondContact O-N 3.23Š|
| 46 | T | 54.1 | Low | 47.9 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | -75.7 | 139.2 | 169.1 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | F44 | F44-T46 PolarHBondContact O-N 3.12Š|
| 47 | V | 44.8 | Very low | 47.5 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 73.6 | 95 | 170.9 | -155.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 48 | S | 43 | Very low | 47.7 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | -141.8 | 105.5 | 128.1 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 49 | S | 56.1 | Low | 48.1 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 52% | 0.517 | 77% | 0.774 | S | S | . | * | | | trans | -81.1 | 160.2 | 167.8 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 50 | F | 51.8 | Low | 48.2 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | 69.7 | 67.8 | 174.2 | -48.7 | -74.4 | 0 | 0 | 0 | 116.8 | | |
| 51 | L | 55.2 | Low | 48 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -118.2 | 134.5 | 141.7 | -79.8 | 172.1 | 0 | 0 | 0 | 109.4 | Q53 | L51-Q53 PolarHBondContact O-N 2.85Š|
| 52 | P | 45.4 | Very low | 47.9 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -60.4 | 136.3 | -177.7 | -24.5 | 34.3 | 0 | 0 | 0 | 112.4 | A54 | P52-A54 PolarHBondContact O-N 3.46Š|
| 53 | Q | 48.8 | Very low | 47.2 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -62.7 | 90.8 | 178.9 | -174.4 | 178.2 | 0.8 | 0 | 0 | 110.9 | L51 | L51-Q53 PolarHBondContact O-N 2.85Š|
| 54 | A | 45.8 | Very low | 47.3 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | | | trans | -58.9 | 134.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | P52 S56 | P52-A54 PolarHBondContact O-N 3.46Å; A54-S56 PolarHBondContact O-N 2.84Å |
| 55 | P | 45.3 | Very low | 47.6 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -68.4 | 97.5 | -179.2 | 27.2 | -33.4 | 0 | 0 | 0 | 109.2 | R57 | P55-R57 PolarHBondContact O-N 3.15Å; P55-R57 VanDerWaalsContact O-N 3.15Å |
| 56 | S | 48.2 | Very low | 47.9 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | -57.5 | 119.6 | 172 | 52.2 | 0 | 0 | 0 | 0 | 108.2 | A54 Q58 | A54-S56 PolarHBondContact O-N 2.84Å; S56-Q58 PolarHBondContact O-N 2.9Å |
| 57 | R | 43.9 | Very low | 47.5 | Very low | 233 Ų | 233 | 139.4 Ų | 139.4 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | trans | -60.6 | 116.2 | 171.4 | -72.4 | -172 | 176.7 | -91.7 | 0.3 | 106.9 | P55 I59 | P55-R57 PolarHBondContact O-N 3.15Å; P55-R57 VanDerWaalsContact O-N 3.15Å; R57-I59 PolarHBondContact O-N 3.02Å |
| 58 | Q | 44.3 | Very low | 47.6 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | -61.6 | 101.2 | -176.9 | -67.3 | 171.2 | -64 | 0 | 0 | 109.5 | S56 S60 | S56-Q58 PolarHBondContact O-N 2.9Å; Q58-S60 VanDerWaalsContact C-N 3.34Å; Q58-S60 PolarHBondContact O-N 3.45Å; Q58-S60 VanDerWaalsContact O-N 3.13Å |
| 59 | I | 52.7 | Low | 48 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 65% | 0.646 | 75% | 0.754 | S | S | * | * | | | trans | -79.2 | 93.3 | 165 | -49.3 | 176 | 0 | 0 | 0 | 105.7 | R57 Y61 | R57-I59 PolarHBondContact O-N 3.02Å; I59-Y61 VanDerWaalsContact C-N 3.33Å; I59-Y61 HydrophobicContact CB-CD2 4.15Å; I59-Y61 HydrophobicContact CB-CE2 3.88Å; I59-Y61 HydrophobicContact CG2-CD2 3.68Å; I59-Y61 HydrophobicContact CG2-CE2 3.32Å; I59-Y61 HydrophobicContact CG2-CG 4.44Å; I59-Y61 PolarHBondContact O-N 2.84Å |
| 60 | S | 46.8 | Very low | 47.8 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -71.7 | 91.1 | 174.9 | -165.6 | 0 | 0 | 0 | 0 | 109 | Q58 | Q58-S60 VanDerWaalsContact C-N 3.34Å; Q58-S60 PolarHBondContact O-N 3.45Å; Q58-S60 VanDerWaalsContact O-N 3.13Å |
| 61 | Y | 40.2 | Very low | 48.2 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | trans | -74.6 | 127.6 | 171.5 | -80.4 | -84.8 | 0 | 0 | 0 | 109.4 | I59 Y63 | I59-Y61 VanDerWaalsContact C-N 3.33Å; I59-Y61 HydrophobicContact CB-CD2 4.15Å; I59-Y61 HydrophobicContact CB-CE2 3.88Å; I59-Y61 HydrophobicContact CG2-CD2 3.68Å; I59-Y61 HydrophobicContact CG2-CE2 3.32Å; I59-Y61 HydrophobicContact CG2-CG 4.44Å; I59-Y61 PolarHBondContact O-N 2.84Å; Y61-Y63 PolarHBondContact O-N 2.95Å |
| 62 | P | 47 | Very low | 47.5 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -78.3 | 59.2 | 174 | 34.7 | -36 | 0 | 0 | 0 | 110.3 | S64 | P62-S64 PolarHBondContact O-N 3.13Å; P62-S64 VanDerWaalsContact O-N 3.13Å |
| 63 | Y | 39.7 | Very low | 47.4 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -75.4 | 101.5 | 167.7 | -145.4 | -88.3 | 0 | 0 | 0 | 107.4 | Y61 A65 | Y61-Y63 PolarHBondContact O-N 2.95Å; Y63-A65 PolarHBondContact O-N 2.94Å |
| 64 | S | 45.3 | Very low | 47.2 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 55% | 0.552 | 76% | 0.755 | S | S | * | * | | | trans | -61.8 | 105.6 | 173.2 | -87.4 | 0 | 0 | 0 | 0 | 109.1 | P62 Q66 | P62-S64 PolarHBondContact O-N 3.13Å; P62-S64 VanDerWaalsContact O-N 3.13Å; S64-Q66 PolarHBondContact O-N 3.12Å |
| 65 | A | 53.4 | Low | 47.3 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -68.2 | 72.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y63 | Y63-A65 PolarHBondContact O-N 2.94Š|
| 66 | Q | 54.9 | Low | 47.2 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -115.7 | 47.9 | 173.5 | -69.9 | 179.6 | 9 | 0 | 0 | 109.5 | S64 P68 | S64-Q66 PolarHBondContact O-N 3.12Å; Q66-P68 WeakPolarHBondContact O-CD 3.44Å |
| 67 | V | 45 | Very low | 47.3 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -91 | 107.8 | 150.3 | -172.9 | 0 | 0 | 0 | 0 | 104.7 | | |
| 68 | P | 46.7 | Very low | 47.3 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | trans | -55.7 | 139.8 | 172.7 | -22.5 | 33.8 | 0 | 0 | 0 | 109 | Q66 V70 | Q66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-V70 PolarHBondContact O-N 3.33Å; P68-V70 VanDerWaalsContact O-N 3.12Å |
| 69 | P | 52.5 | Low | 47.8 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | | | trans | -57.1 | 124.4 | 173.6 | 24.4 | -32.6 | 0 | 0 | 0 | 108.4 | R71 | P69-R71 PolarHBondContact O-N 2.75Š|
| 70 | V | 51.4 | Low | 47.4 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -66.8 | 84.1 | -178.6 | 178.6 | 0 | 0 | 0 | 0 | 109 | P68 | P68-V70 PolarHBondContact O-N 3.33Å; P68-V70 VanDerWaalsContact O-N 3.12Å |
| 71 | R | 59.7 | Low | 47.4 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | | | trans | -138 | 116.8 | 173.6 | -63.6 | -153.6 | -69 | -151.4 | 6.1 | 109.2 | P69 | P69-R71 PolarHBondContact O-N 2.75Š|
| 72 | E | 40.8 | Very low | 47.7 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | 62.8 | 86.6 | 164.7 | -67.2 | 141.8 | -129.6 | 0 | 0 | 116.7 | S74 | E72-S74 VanDerWaalsContact C-N 3.27Å; E72-S74 PolarHBondContact O-N 3.13Å |
| 73 | V | 44.1 | Very low | 47.6 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -69 | 88.5 | 156.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 74 | S | 44.4 | Very low | 47.9 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -77.7 | 123.7 | 168.8 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | E72 G76 | E72-S74 VanDerWaalsContact C-N 3.27Å; E72-S74 PolarHBondContact O-N 3.13Å; S74-G76 PolarHBondContact O-N 2.8Å |
| 75 | Y | 47 | Very low | 48 | Very low | 232 Ų | 232 | 146.2 Ų | 146.2 | 91% | 0.91 | 78% | 0.782 | S | S | * | * | | | trans | -69.5 | 111.5 | 177.1 | -66.4 | -94.4 | 0 | 0 | 0 | 110.3 | | |
| 76 | G | 43.6 | Very low | 48.2 | Very low | 68 Ų | 68 | 152.2 Ų | 152.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -150.5 | 112.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | S74 | S74-G76 PolarHBondContact O-N 2.8Š|
| 77 | L | 50.3 | Low | 47.3 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | -77.3 | 131.2 | 163.8 | -93.3 | 69.4 | 0 | 0 | 0 | 109 | | |
| 78 | E | 43.3 | Very low | 47.4 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -150.6 | 118.7 | 153.5 | -136.7 | -52.7 | 128.2 | 0 | 0 | 109.1 | T80 | E78-T80 PolarHBondContact OE2-N 2.96Š|
| 79 | P | 54.3 | Low | 47.2 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | | | trans | -106.6 | 66.6 | -174.3 | 39.8 | -33 | 0 | 0 | 0 | 113.4 | | |
| 80 | T | 44.5 | Very low | 46.7 | Very low | 117 Ų | 117 | 157 Ų | 157 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | | | trans | -139.7 | 119.2 | 171.8 | -61.7 | 0 | 0 | 0 | 0 | 115.1 | E78 | E78-T80 PolarHBondContact OE2-N 2.96Š|
| 81 | G | 47.8 | Very low | 46.5 | Very low | 58 Ų | 58 | 155.5 Ų | 155.5 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | | | | 108.3 | 107.3 | 128.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 82 | K | 45.3 | Very low | 45.9 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | 45.3 | 95.2 | 135.9 | 17 | -176.9 | 174.2 | -174.9 | 0 | 116.5 | H84 | K82-H84 PolarHBondContact O-N 2.91Š|
| 83 | W | 45.6 | Very low | 46.4 | Very low | 251 Ų | 251 | 152.4 Ų | 152.4 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | | | trans | -52 | 136.8 | 168.1 | -73 | 94.3 | 0 | 0 | 0 | 112 | H85 | W83-H85 PolarHBondContact O-N 2.9Š|
| 84 | H | 46.2 | Very low | 46.8 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -71.1 | 113.1 | -177.9 | -72.2 | 58.4 | 0 | 0 | 0 | 110.5 | K82 R86 | K82-H84 PolarHBondContact O-N 2.91Å; H84-R86 VanDerWaalsContact C-N 3.25Å; H84-R86 PolarHBondContact O-N 3.33Å |
| 85 | H | 46.2 | Very low | 47.2 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | | | trans | -70.5 | 77.3 | 174.6 | -121.4 | -68.1 | 0 | 0 | 0 | 111 | W83 N87 | W83-H85 PolarHBondContact O-N 2.9Å; H85-N87 PolarHBondContact O-N 3.24Å |
| 86 | R | 57.7 | Low | 47.5 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -88.6 | 89.9 | 167.9 | -85.3 | -168.1 | 171 | -138.3 | 0.6 | 110.4 | H84 | H84-R86 VanDerWaalsContact C-N 3.25Å; H84-R86 PolarHBondContact O-N 3.33Å |
| 87 | N | 35.9 | Very low | 48.1 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | | -163 | 137.6 | 129 | -106.6 | 1.8 | 0 | 0 | 0 | 111.7 | H85 Y89 | H85-N87 PolarHBondContact O-N 3.24Å; N87-Y89 PolarHBondContact O-N 3.13Å |
| 88 | S | 48.8 | Very low | 48.4 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -76.6 | 116.2 | -165.6 | -49.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 89 | Y | 42.8 | Very low | 49 | Very low | 225 Ų | 225 | 141 Ų | 141 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | | | trans | -137.4 | 132.9 | 152 | -92 | -84.3 | 0 | 0 | 0 | 110.2 | N87 S91 | N87-Y89 PolarHBondContact O-N 3.13Å; Y89-S91 PolarHBondContact O-N 3.01Å |
| 90 | S | 40.3 | Very low | 49.2 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | trans | -10.9 | 102.9 | 179.6 | -50.1 | 0 | 0 | 0 | 0 | 118.9 | C92 | S90-C92 PolarHBondContact O-N 3.47Š|
| 91 | S | 47.9 | Very low | 49.7 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -73.4 | 68.1 | 163.3 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | Y89 | Y89-S91 PolarHBondContact O-N 3.01Š|
| 92 | C | 48 | Very low | 50.2 | Low | 107 Ų | 107 | 151.4 Ų | 151.4 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -121.2 | -2.5 | 176 | -60 | 0 | 0 | 0 | 0 | 113.8 | S90 | S90-C92 PolarHBondContact O-N 3.47Š|
| 93 | Y | 51.2 | Low | 50.7 | Low | 196 Ų | 196 | 150.9 Ų | 150.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -125.9 | -9.6 | 178.7 | -95.3 | -87.7 | 0 | 0 | 0 | 114.9 | A95 A96 | Y93-A95 VanDerWaalsContact C-N 3.3Å; Y93-A95 PolarHBondContact O-N 3.49Å; Y93-A96 PolarHBondContact O-N 3.29Å |
| 94 | A | 52 | Low | 51.1 | Low | 76 Ų | 76 | 144.7 Ų | 144.7 | 63% | 0.628 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -22.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 95 | A | 52.8 | Low | 51.4 | Low | 82 Ų | 82 | 143.9 Ų | 143.9 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -13.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y93 | Y93-A95 VanDerWaalsContact C-N 3.3Å; Y93-A95 PolarHBondContact O-N 3.49Å |
| 96 | A | 52.9 | Low | 51.3 | Low | 54 Ų | 54 | 139.9 Ų | 139.9 | 45% | 0.446 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -36 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y93 E98 | Y93-A96 PolarHBondContact O-N 3.29Å; A96-E98 VanDerWaalsContact C-N 3.32Å; A96-E98 PolarHBondContact O-N 2.89Å |
| 97 | D | 56.5 | Low | 50.7 | Low | 106 Ų | 106 | 134.1 Ų | 134.1 | 57% | 0.567 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -14.8 | -179 | -157.5 | 50 | 0 | 0 | 0 | 112.9 | H101 | D97-H101 PolarHBondContact O-CD2 3.49Å; D97-H101 IonicContact OD1-CD2 3.54Å; D97-H101 IonicContact OD1-CE1 3.95Å; D97-H101 IonicContact OD1-NE2 2.84Å; D97-H101 PolarHBondContact OD1-NE2 2.92Å; D97-H101 IonicContact OD2-NE2 3.54Å |
| 98 | E | 56.7 | Low | 51.5 | Low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -23.8 | 175.3 | -149 | 176.5 | -162.8 | 0 | 0 | 113 | A96 | A96-E98 VanDerWaalsContact C-N 3.32Å; A96-E98 PolarHBondContact O-N 2.89Å |
| 99 | L | 56.1 | Low | 51.8 | Low | 147 Ų | 147 | 131.3 Ų | 131.3 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -31.4 | 179.9 | -132.6 | 87.1 | 0 | 0 | 0 | 113.1 | | |
| 100 | M | 57.9 | Low | 52.2 | Low | 164 Ų | 164 | 125.9 Ų | 125.9 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -11.2 | -173.5 | -65.1 | -158 | 172.2 | 0 | 0 | 114.8 | | |
| 101 | H | 55.4 | Low | 52.6 | Low | 131 Ų | 131 | 127 Ų | 127 | 61% | 0.606 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 11.7 | 179.4 | -69.5 | -121.5 | 0 | 0 | 0 | 113.6 | D97 | D97-H101 PolarHBondContact O-CD2 3.49Å; D97-H101 IonicContact OD1-CD2 3.54Å; D97-H101 IonicContact OD1-CE1 3.95Å; D97-H101 IonicContact OD1-NE2 2.84Å; D97-H101 PolarHBondContact OD1-NE2 2.92Å; D97-H101 IonicContact OD2-NE2 3.54Å |
| 102 | R | 58.6 | Low | 52.7 | Low | 214 Ų | 214 | 130.3 Ų | 130.3 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -104.5 | -6.3 | -175.3 | -77.9 | -74.7 | 147.7 | 176.4 | -4.2 | 116 | | |
| 103 | E | 55.7 | Low | 53 | Low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -122.2 | 8.7 | -173.4 | -63 | -166.3 | -177.1 | 0 | 0 | 115.8 | | |
| 104 | C | 53.8 | Low | 53.2 | Low | 121 Ų | 121 | 129.6 Ų | 129.6 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | -120.4 | 53.4 | 177.9 | -93.9 | 0 | 0 | 0 | 0 | 114 | | |
| 105 | L | 51.8 | Low | 53.1 | Low | 161 Ų | 161 | 134.2 Ų | 134.2 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | | | trans | -119.7 | 120.9 | 158 | -69.4 | 177.1 | 0 | 0 | 0 | 109.1 | | |
| 106 | P | 45 | Very low | 52.7 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -68.5 | 144.1 | 173.3 | 29.1 | -33.6 | 0 | 0 | 0 | 110.3 | S108 | P106-S108 PolarHBondContact O-N 3.07Å; P106-S108 VanDerWaalsContact O-N 3.16Å |
| 107 | P | 44.3 | Very low | 52.2 | Low | 106 Ų | 106 | 142.7 Ų | 142.7 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | | | trans | -63.9 | 117.9 | 176.5 | 25.5 | -33.1 | 0 | 0 | 0 | 110.7 | T109 | P107-T109 PolarHBondContact O-N 3.29Š|
| 108 | S | 52.6 | Low | 51.6 | Low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -76.7 | 66.9 | 179.7 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | P106 | P106-S108 PolarHBondContact O-N 3.07Å; P106-S108 VanDerWaalsContact O-N 3.16Å |
| 109 | T | 54.8 | Low | 50.6 | Low | 100 Ų | 100 | 140.1 Ų | 140.1 | 61% | 0.613 | 75% | 0.75 | S | S | * | * | | | trans | -140.7 | 37.6 | -176.6 | 45.7 | 0 | 0 | 0 | 0 | 114 | P107 | P107-T109 PolarHBondContact O-N 3.29Š|
| 110 | V | 51.1 | Low | 49.9 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -132.1 | -9.6 | 173.6 | -83.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 111 | T | 49.1 | Very low | 48.9 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -84.5 | -8.7 | 176.2 | 38.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 112 | E | 49.7 | Very low | 47.9 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -87.3 | -15.5 | -177.2 | -155.6 | 171.5 | -152.5 | 0 | 0 | 113.6 | | |
| 113 | I | 54.8 | Low | 46.8 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -93 | -16.7 | -169.8 | -43.3 | -179.7 | 0 | 0 | 0 | 112.7 | | |
| 114 | L | 55.8 | Low | 46.3 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -104.8 | 7.7 | -171 | -83.5 | 165.9 | 0 | 0 | 0 | 115.9 | | |
| 115 | M | 49.2 | Very low | 45.4 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | | | trans | -123 | 49.5 | 165.1 | -68.2 | -152.5 | -56.9 | 0 | 0 | 112.5 | N117 | M115-N117 PolarHBondContact O-N 3.29Š|
| 116 | K | 45.3 | Very low | 44.6 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | -73 | 69 | 155.1 | -165.4 | 175.6 | -176.9 | 177.8 | 0 | 109.9 | E118 | K116-E118 WeakPolarHBondContact CE-OE1 3.48Å; K116-E118 IonicContact NZ-OE1 3.88Å |
| 117 | N | 41.5 | Very low | 44.5 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | trans | -100.2 | 103.5 | 161.5 | -173.2 | -23.7 | 0 | 0 | 0 | 107.7 | M115 G119 | M115-N117 PolarHBondContact O-N 3.29Å; N117-G119 PolarHBondContact O-N 3.19Å; N117-G119 VanDerWaalsContact O-N 3.09Å |
| 118 | E | 43.8 | Very low | 44.2 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | | | trans | -67.4 | 98.1 | 177.9 | -61.9 | -78.6 | 166 | 0 | 0 | 109.7 | K116 | K116-E118 WeakPolarHBondContact CE-OE1 3.48Å; K116-E118 IonicContact NZ-OE1 3.88Å |
| 119 | G | 36.6 | Very low | 43.6 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | | | trans | -136.2 | 56.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N117 Y121 | N117-G119 PolarHBondContact O-N 3.19Å; N117-G119 VanDerWaalsContact O-N 3.09Å; G119-Y121 PolarHBondContact O-N 3.11Å |
| 120 | S | 41 | Very low | 43.5 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -56.2 | 124.9 | 175.1 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 121 | Y | 37.5 | Very low | 42.7 | Very low | 236 Ų | 236 | 140.7 Ų | 140.7 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | | 169 | 134.6 | 118 | -91.4 | -67.9 | 0 | 0 | 0 | 110.8 | G119 | G119-Y121 PolarHBondContact O-N 3.11Š|
| 122 | G | 35.1 | Very low | 42 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | 113.2 | 92.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 123 | S | 34.1 | Very low | 41.6 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | 35 | 114.7 | 144.7 | -60.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 124 | H | 44.8 | Very low | 41.1 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -20.5 | 136.3 | 139.8 | -37.8 | -84.7 | 0 | 0 | 0 | 115.5 | | |
| 125 | H | 35.8 | Very low | 40.5 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | | | trans | -153.4 | 132.1 | 134.8 | -91.5 | -61.1 | 0 | 0 | 0 | 111.8 | | |
| 126 | H | 33.9 | Very low | 40.1 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | | | trans | -82.7 | 141 | 176.9 | -176.6 | -76 | 0 | 0 | 0 | 110.1 | S128 | H126-S128 PolarHBondContact O-N 3.22Š|
| 127 | P | 43.7 | Very low | 40.2 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | trans | -79.3 | 109.1 | 176.5 | 31 | -31.8 | 0 | 0 | 0 | 110.9 | | |
| 128 | S | 37.1 | Very low | 40.3 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | -129.8 | 127.8 | 161.3 | -69.6 | 0 | 0 | 0 | 0 | 108.5 | H126 | H126-S128 PolarHBondContact O-N 3.22Š|
| 129 | A | 40.2 | Very low | 40.5 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -75.8 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 130 | P | 53.8 | Low | 40.9 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | | | cis | -135.7 | -163.6 | 4.6 | 42.3 | -22.9 | 0 | 0 | 0 | 115.3 | | |
| 131 | H | 34.7 | Very low | 41.3 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | trans | 73.9 | 130.9 | -178 | -62.9 | -62.4 | 0 | 0 | 0 | 115.2 | | |
| 132 | A | 34.8 | Very low | 42 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | cis | -152.7 | 162.8 | 38.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 133 | A | 40.9 | Very low | 43.1 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -98.4 | 159.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 134 | P | 42.8 | Very low | 43.9 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -114.2 | 156.7 | 133 | 34.1 | -30 | 0 | 0 | 0 | 111.3 | | |
| 135 | A | 44.6 | Very low | 44.2 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | trans | -76.8 | 125.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F137 | A135-F137 HydrophobicContact CB-CD2 4.03Å; A135-F137 HydrophobicContact CB-CE2 3.63Å; A135-F137 HydrophobicContact CB-CZ 4.28Å |
| 136 | G | 39.9 | Very low | 44.9 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | -108.9 | 112.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 137 | F | 48.3 | Very low | 46.3 | Very low | 176 Ų | 176 | 124.9 Ų | 124.9 | 77% | 0.772 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -71.4 | 147.8 | -173.2 | -72.9 | -106.3 | 0 | 0 | 0 | 111.5 | A135 | A135-F137 HydrophobicContact CB-CD2 4.03Å; A135-F137 HydrophobicContact CB-CE2 3.63Å; A135-F137 HydrophobicContact CB-CZ 4.28Å |
| 138 | Y | 42.2 | Very low | 47.4 | Very low | 225 Ų | 225 | 123 Ų | 123 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | | | trans | 83.3 | 46.7 | -179.8 | -57.2 | -79.6 | 0 | 0 | 0 | 119.3 | | |
| 139 | S | 48 | Very low | 48.4 | Very low | 123 Ų | 123 | 126 Ų | 126 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -128.4 | 70.1 | 155.4 | -163.8 | 0 | 0 | 0 | 0 | 112 | | |
| 140 | S | 46.6 | Very low | 49.3 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -148.8 | 18.6 | -178.1 | 61.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 141 | V | 49.7 | Very low | 49.4 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | | | trans | -138.1 | 61.1 | 176.8 | -71.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 142 | N | 50.9 | Low | 50.8 | Low | 112 Ų | 112 | 119.9 Ų | 119.9 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | | | trans | -148.6 | 76.4 | 151.2 | -172.3 | -5.2 | 0 | 0 | 0 | 111.2 | N144 | N142-N144 PolarHBondContact O-N 2.79Å; N142-N144 PolarHBondContact OD1-N 3.07Å |
| 143 | K | 57.4 | Low | 52.3 | Low | 194 Ų | 194 | 124.2 Ų | 124.2 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 14.1 | 178.4 | 56.4 | 91.9 | 175.8 | -171 | 0 | 116.5 | | |
| 144 | N | 52.1 | Low | 53.3 | Low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | -5 | -155 | -71 | 83.4 | 0 | 0 | 0 | 118.3 | N142 V146 | N142-N144 PolarHBondContact O-N 2.79Å; N142-N144 PolarHBondContact OD1-N 3.07Å; N144-V146 PolarHBondContact O-N 2.81Å |
| 145 | S | 50.4 | Low | 54.1 | Low | 70 Ų | 70 | 128.4 Ų | 128.4 | 49% | 0.49 | 69% | 0.688 | S | S | . | * | | | trans | -86.4 | 94.5 | 178.5 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | L147 | S145-L147 PolarHBondContact O-N 3.08Š|
| 146 | V | 51.8 | Low | 54.8 | Low | 151 Ų | 151 | 129.5 Ų | 129.5 | 92% | 0.915 | 68% | 0.683 | S | S | * | * | | | trans | -73.6 | 73.3 | 163 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | N144 | N144-V146 PolarHBondContact O-N 2.81Š|
| 147 | L | 62.3 | Low | 55.5 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 56% | 0.555 | 68% | 0.682 | S | S | * | * | | | trans | -117.4 | 140.6 | 172.5 | -73.3 | 172.6 | 0 | 0 | 0 | 109.2 | S145 Q149 | S145-L147 PolarHBondContact O-N 3.08Å; L147-Q149 PolarHBondContact O-N 2.94Å |
| 148 | P | 66.5 | Low | 55.9 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | | | trans | -57.1 | 137.1 | 173.4 | -23.5 | 33.3 | 0 | 0 | 0 | 110.6 | A150 F151 | P148-A150 PolarHBondContact O-N 3.48Å; P148-F151 HydrophobicContact CB-CD2 4.32Å; P148-F151 HydrophobicContact CG-CD2 4.37Å; P148-F151 HydrophobicContact CG-CE2 4.4Å; P148-F151 PolarHBondContact O-N 3.06Å |
| 149 | Q | 59.2 | Low | 56.3 | Low | 167 Ų | 167 | 126.8 Ų | 126.8 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -12.8 | -178.4 | -163.4 | 177.6 | 13.1 | 0 | 0 | 114.8 | L147 F151 | L147-Q149 PolarHBondContact O-N 2.94Å; Q149-F151 VanDerWaalsContact C-N 3.31Å |
| 150 | A | 58.4 | Low | 56.3 | Low | 64 Ų | 64 | 126.5 Ų | 126.5 | 53% | 0.529 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -20.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P148 | P148-A150 PolarHBondContact O-N 3.48Š|
| 151 | F | 55.3 | Low | 56.1 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 47% | 0.474 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | -31.7 | -179.5 | -81.6 | -91 | 0 | 0 | 0 | 113.3 | P148 Q149 R153 F154 | P148-F151 HydrophobicContact CB-CD2 4.32Å; P148-F151 HydrophobicContact CG-CD2 4.37Å; P148-F151 HydrophobicContact CG-CE2 4.4Å; P148-F151 PolarHBondContact O-N 3.06Å; Q149-F151 VanDerWaalsContact C-N 3.31Å; F151-R153 PolarHBondContact O-N 3.5Å; F151-F154 WeakPolarHBondContact O-CB 3.47Å; F151-F154 PolarHBondContact O-N 2.91Å; F151-F154 VanDerWaalsContact O-N 3.12Å |
| 152 | D | 65.8 | Low | 55.8 | Low | 92 Ų | 92 | 122.4 Ų | 122.4 | 49% | 0.492 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -63.3 | -33.8 | 175.9 | -64.4 | -29.9 | 0 | 0 | 0 | 111.6 | F154 F155 D156 | D152-F154 PolarHBondContact O-N 3.46Å; D152-F154 VanDerWaalsContact O-N 3.11Å; D152-F155 PolarHBondContact O-N 3.23Å; D152-D156 PolarHBondContact O-N 3.4Å; D152-D156 VanDerWaalsContact O-N 3.15Å |
| 153 | R | 66.3 | Low | 55.1 | Low | 189 Ų | 189 | 120.8 Ų | 120.8 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -59.4 | -22.7 | 175.4 | -64.7 | -64.8 | -166.7 | 153.5 | 2.7 | 114 | F151 N157 | F151-R153 PolarHBondContact O-N 3.5Å; R153-N157 WeakPolarHBondContact O-CB 3.39Å; R153-N157 PolarHBondContact O-N 3.41Å |
| 154 | F | 61.7 | Low | 54.1 | Low | 164 Ų | 164 | 120.1 Ų | 120.1 | 72% | 0.719 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -76.9 | -25.4 | 173.8 | -89.6 | -88.4 | 0 | 0 | 0 | 113 | F151 D152 | F151-F154 WeakPolarHBondContact O-CB 3.47Å; F151-F154 PolarHBondContact O-N 2.91Å; F151-F154 VanDerWaalsContact O-N 3.12Å; D152-F154 PolarHBondContact O-N 3.46Å; D152-F154 VanDerWaalsContact O-N 3.11Å |
| 155 | F | 59.9 | Low | 53.3 | Low | 147 Ų | 147 | 117.5 Ų | 117.5 | 65% | 0.645 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -86.4 | -42.5 | 178.3 | -69.4 | -78.2 | 0 | 0 | 0 | 111.9 | D152 N157 A158 | D152-F155 PolarHBondContact O-N 3.23Å; F155-N157 VanDerWaalsContact C-N 3.29Å; F155-N157 PolarHBondContact O-N 2.72Å; F155-A158 PolarHBondContact O-N 2.91Å |
| 156 | D | 58.8 | Low | 52.7 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -57.8 | -42.7 | 174.9 | -73.8 | -27.2 | 0 | 0 | 0 | 111.8 | D152 A158 Y159 C160 | D152-D156 PolarHBondContact O-N 3.4Å; D152-D156 VanDerWaalsContact O-N 3.15Å; D156-A158 PolarHBondContact O-N 2.88Å; D156-Y159 PolarHBondContact O-N 3.21Å; D156-Y159 VanDerWaalsContact O-N 3.17Å; D156-C160 PolarHBondContact O-N 3.31Å |
| 157 | N | 54.8 | Low | 52.1 | Low | 133 Ų | 133 | 118 Ų | 118 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -73 | -7.6 | -176.1 | -154.8 | 66.1 | 0 | 0 | 0 | 113.8 | R153 F155 | R153-N157 WeakPolarHBondContact O-CB 3.39Å; R153-N157 PolarHBondContact O-N 3.41Å; F155-N157 VanDerWaalsContact C-N 3.29Å; F155-N157 PolarHBondContact O-N 2.72Å |
| 158 | A | 56.2 | Low | 50.7 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -86.9 | -20 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | F155 D156 | F155-A158 PolarHBondContact O-N 2.91Å; D156-A158 PolarHBondContact O-N 2.88Å |
| 159 | Y | 50.5 | Low | 49.7 | Very low | 207 Ų | 207 | 122.3 Ų | 122.3 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -99.7 | -22.4 | -178.7 | -79.3 | -82.5 | 0 | 0 | 0 | 114 | D156 G161 | D156-Y159 PolarHBondContact O-N 3.21Å; D156-Y159 VanDerWaalsContact O-N 3.17Å; Y159-G161 PolarHBondContact O-N 2.87Å; Y159-G161 VanDerWaalsContact O-N 3.1Å |
| 160 | C | 47.4 | Very low | 48.9 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 23.9 | 175.1 | -64.7 | 0 | 0 | 0 | 0 | 114.3 | D156 | D156-C160 PolarHBondContact O-N 3.31Š|
| 161 | G | 43.7 | Very low | 47.5 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 8.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y159 | Y159-G161 PolarHBondContact O-N 2.87Å; Y159-G161 VanDerWaalsContact O-N 3.1Å |
| 162 | G | 43.4 | Very low | 46.6 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -155.6 | 116.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 163 | G | 35.5 | Very low | 44.9 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 113.7 | 57.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | A165 | G163-A165 PolarHBondContact O-N 3.46Š|
| 164 | D | 36 | Very low | 43.4 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 97% | 0.968 | 78% | 0.779 | S | S | * | * | | | trans | -77.9 | 99.5 | 153.5 | -88.8 | -45.4 | 0 | 0 | 0 | 109.7 | | |
| 165 | A | 34.9 | Very low | 41.8 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | trans | -150.1 | 125.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | G163 | G163-A165 PolarHBondContact O-N 3.46Š|
| 166 | P | 39.2 | Very low | 40.5 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | trans | -71.8 | 149.7 | -168.5 | 28.3 | -35 | 0 | 0 | 0 | 113.1 | | |
| 167 | A | 38.6 | Very low | 39.2 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -75.7 | 143.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 168 | E | 33.5 | Very low | 38.1 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | -122.5 | 151.3 | 159.5 | -77.2 | -68.8 | 164.3 | 0 | 0 | 108.7 | | |
| 169 | P | 45.4 | Very low | 36.7 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 82% | 0.824 | S | S | * | * | | | trans | -87 | 164.4 | -151.9 | 33.1 | -37.7 | 0 | 0 | 0 | 116 | | |
| 170 | P | 41.5 | Very low | 35.7 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | | | trans | -84.3 | 136.9 | -175.5 | 33.6 | -34.5 | 0 | 0 | 0 | 112.9 | | |
| 171 | C | 28.4 | Very low | 35.7 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | | | trans | -134.7 | 125.5 | 168.7 | -98.5 | 0 | 0 | 0 | 0 | 112 | | |
| 172 | S | 36.8 | Very low | 34.7 | Very low | 129 Ų | 129 | 131 Ų | 131 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | | | trans | -101.6 | 141.3 | 179.7 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 173 | G | 31.1 | Very low | 34.3 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | 121.2 | 139.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 174 | K | 33.3 | Very low | 35 | Very low | 224 Ų | 224 | 133.6 Ų | 133.6 | 97% | 0.974 | 83% | 0.825 | S | S | * | * | | | trans | 64.6 | 139.7 | 156.8 | -65.9 | -173.6 | 172.1 | -173.6 | 0 | 119.9 | | |
| 175 | G | 29.6 | Very low | 35.3 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 148.6 | 82.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 176 | E | 31.1 | Very low | 35.3 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -35.9 | 133.2 | 171.8 | -68.1 | 160.8 | 91.2 | 0 | 0 | 120.3 | | |
| 177 | A | 33 | Very low | 34.8 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | | 51 | 121.2 | 123.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 178 | K | 31.2 | Very low | 34.2 | Very low | 217 Ų | 217 | 129.4 Ų | 129.4 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | | | | 157.9 | 133.1 | 126 | -87.8 | 169.3 | -178.4 | -178.7 | 0 | 110 | | |
| 179 | G | 27.3 | Very low | 34 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | cis | -174.8 | 169.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 180 | E | 29.6 | Very low | 33.1 | Very low | 185 Ų | 185 | 128.4 Ų | 128.4 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | | | trans | -107 | -178.8 | 162.5 | -117.7 | -164.2 | 82.3 | 0 | 0 | 107.8 | | |
| 181 | P | 45.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 68% | 0.675 | 83% | 0.831 | S | S | * | * | | | cis | -132.3 | -177.5 | 0.2 | 40.1 | -22.2 | 0 | 0 | 0 | 114.3 | | |
| 182 | E | 24 | Very low | 32.6 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | | | | 179 | 158.4 | 116.3 | -157.6 | 169.5 | 142.1 | 0 | 0 | 110.7 | | |
| 183 | A | 33.8 | Very low | 32.2 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | | | trans | -115.4 | -138.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 184 | P | 51.4 | Low | 32.3 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | | | | -114.3 | -169 | -122.3 | 38.5 | -20.5 | 0 | 0 | 0 | 114.4 | | |
| 185 | P | 42.6 | Very low | 32.1 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | | | | -153.4 | 152.2 | 105.1 | 37.3 | -19.4 | 0 | 0 | 0 | 118.8 | | |
| 186 | A | 33.3 | Very low | 31.9 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | | | trans | 46.5 | 144.9 | 138.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 187 | S | 29.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | | | cis | -155.2 | 177.4 | 11.9 | -59.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 188 | G | 25.8 | Very low | 31.6 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | | | cis | 153.4 | 150.1 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 189 | L | 29.2 | Very low | 32 | Very low | 190 Ų | 190 | 130.8 Ų | 130.8 | 100% | 0.995 | 83% | 0.827 | S | S | * | * | | | trans | 68.6 | 117.2 | 167 | -66.3 | 167.2 | 0 | 0 | 0 | 122.2 | | |
| 190 | G | 26.5 | Very low | 32.2 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | trans | 105 | 155.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 191 | S | 29.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | cis | -158.2 | 164.5 | -14.7 | -94.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 192 | R | 30.6 | Very low | 31.9 | Very low | 246 Ų | 246 | 135.1 Ų | 135.1 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | | | trans | -92.3 | 139.6 | -177.2 | 162.3 | -168.7 | 177.5 | -169.8 | 1.7 | 113.2 | | |
| 193 | A | 27.5 | Very low | 32.5 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | trans | -169 | 146.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 194 | E | 33.1 | Very low | 32.5 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | | | trans | -108.5 | 152.1 | 170.7 | -62.5 | -176.9 | 167.2 | 0 | 0 | 110.5 | | |
| 195 | T | 28.4 | Very low | 31.6 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | | | trans | 159.8 | 131.2 | 154.3 | 41.2 | 0 | 0 | 0 | 0 | 105.8 | | |
| 196 | G | 25.8 | Very low | 31.3 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | cis | 108.8 | 97.7 | 18.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 197 | T | 31.3 | Very low | 31.5 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 91% | 0.908 | 82% | 0.823 | S | S | * | * | | | trans | -167.7 | 132.9 | 155.6 | 31.4 | 0 | 0 | 0 | 0 | 111 | | |
| 198 | E | 28.1 | Very low | 32.5 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -72.2 | 157.6 | 175.8 | -59.5 | 157.8 | -175.9 | 0 | 0 | 112.5 | | |
| 199 | A | 39.1 | Very low | 32.8 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | -158.8 | 124.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 200 | E | 31.1 | Very low | 33.2 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | | | trans | -95.5 | -169 | -177.7 | -56.5 | -179.1 | 112.2 | 0 | 0 | 112.2 | | |
| 201 | A | 34.3 | Very low | 33.6 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | | | trans | 81.5 | 142.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 202 | E | 34 | Very low | 33.5 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | cis | -156.9 | -178.5 | -9.3 | -98.2 | -99.6 | 121.6 | 0 | 0 | 108.8 | | |
| 203 | E | 37 | Very low | 33.4 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | | | trans | -65.4 | 167.2 | -177 | -52.8 | -178.4 | 99 | 0 | 0 | 116 | | |
| 204 | E | 33.2 | Very low | 33.6 | Very low | 177 Ų | 177 | 133 Ų | 133 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | | | | -154.5 | 145.6 | 115.6 | -161.1 | 167.8 | 110.6 | 0 | 0 | 112.2 | T206 | E204-T206 HydrophobicContact CG-CG2 4.28Š|
| 205 | N | 34.3 | Very low | 33.5 | Very low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | | | trans | -140.7 | 109 | -170.9 | 179.3 | -0.6 | 0 | 0 | 0 | 109.4 | | |
| 206 | T | 36.3 | Very low | 34 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | | | trans | -134.6 | 118.2 | -175.7 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | E204 | E204-T206 HydrophobicContact CG-CG2 4.28Š|
| 207 | N | 37.7 | Very low | 34.3 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -82.8 | 158.2 | 160.8 | -63.2 | -81 | 0 | 0 | 0 | 110 | | |
| 208 | P | 48.9 | Very low | 34.2 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -117.7 | 130.8 | 154.4 | 33.6 | -23.1 | 0 | 0 | 0 | 112.8 | | |
| 209 | S | 32.9 | Very low | 34.5 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -136.2 | 129.6 | 160.9 | -76.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 210 | S | 38.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | 171.5 | 133.4 | 135.6 | -168.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 211 | S | 34.6 | Very low | 34.9 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | -8.7 | 152.6 | 144.7 | -44.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 212 | G | 27.3 | Very low | 34.9 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 147.5 | 114.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 213 | S | 29.5 | Very low | 34.9 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | | 45.8 | 154.7 | 129.7 | -116.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 214 | A | 31.1 | Very low | 34.6 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | cis | -156.5 | -177.7 | 11.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 215 | H | 31.3 | Very low | 34.6 | Very low | 185 Ų | 185 | 124.6 Ų | 124.6 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | | | trans | -66.1 | 164.3 | 178.7 | -74.3 | -60.8 | 0 | 0 | 0 | 116.6 | | |
| 216 | S | 38.8 | Very low | 34.5 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | | | trans | -145.8 | 140.7 | 145 | -76.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 217 | A | 32.2 | Very low | 34.7 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -117.3 | 165.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 218 | A | 29.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | | | cis | 179 | 147.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 219 | K | 34.4 | Very low | 33.7 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | 168.3 | 151 | 160 | -102 | 177.9 | 163.9 | -179.8 | 0 | 109.5 | | |
| 220 | E | 35.3 | Very low | 33.8 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | cis | -155.1 | -166.9 | -26.1 | -124.5 | -165 | 82.4 | 0 | 0 | 108 | | |
| 221 | P | 42.2 | Very low | 33.8 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | | | trans | -118.6 | 160.4 | -142.9 | 42.3 | -29.3 | 0 | 0 | 0 | 117.3 | | |
| 222 | A | 34.2 | Very low | 34.1 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | trans | -153.2 | 105 | 155 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 223 | K | 34 | Very low | 34.4 | Very low | 218 Ų | 218 | 136.5 Ų | 136.5 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | 24.2 | 109 | 152.8 | -67 | 179 | 175.9 | 177.4 | 0 | 120.6 | | |
| 224 | G | 30.5 | Very low | 34.6 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -160.7 | 130.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 225 | A | 32.5 | Very low | 34.6 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -96.5 | 126.4 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 226 | A | 33 | Very low | 34.8 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | 49 | 157.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 227 | P | 40.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | cis | -122.4 | 156.3 | 5.9 | 39.5 | -25.5 | 0 | 0 | 0 | 116.2 | R229 | P227-R229 PolarHBondContact O-N 2.91Š|
| 228 | S | 32.4 | Very low | 35.3 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -22.3 | 108.9 | 164 | -172.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 229 | R | 34.5 | Very low | 35.7 | Very low | 245 Ų | 245 | 139.3 Ų | 139.3 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 124.1 | 149.7 | -77.1 | -169.1 | 177.5 | -146.4 | -1.1 | 107.9 | P227 | P227-R229 PolarHBondContact O-N 2.91Š|
| 230 | R | 33.5 | Very low | 36 | Very low | 222 Ų | 222 | 135.8 Ų | 135.8 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 142.1 | 177.4 | -62.8 | 175.8 | -177.5 | 167.6 | 0.5 | 110 | | |
| 231 | P | 37.6 | Very low | 36.6 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 142.1 | 165.7 | 27.1 | -33.7 | 0 | 0 | 0 | 108.8 | H233 | P231-H233 PolarHBondContact O-N 2.86Š|
| 232 | P | 41.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.2 | 173.2 | 25.1 | -32 | 0 | 0 | 0 | 108.6 | | |
| 233 | H | 33.5 | Very low | 37 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 142.6 | 170.6 | -162.9 | -79.6 | 0 | 0 | 0 | 109.1 | P231 Q235 | P231-H233 PolarHBondContact O-N 2.86Å; H233-Q235 PolarHBondContact O-N 3.01Å |
| 234 | P | 33.7 | Very low | 37.2 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | trans | -54.1 | 116 | 169.3 | 23.6 | -32.9 | 0 | 0 | 0 | 107.8 | E236 | P234-E236 PolarHBondContact O-N 3.38Š|
| 235 | Q | 31.3 | Very low | 37.6 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -71.2 | 116 | 168.6 | -72.2 | -170.8 | -10.8 | 0 | 0 | 105.9 | H233 A237 | H233-Q235 PolarHBondContact O-N 3.01Å; Q235-A237 PolarHBondContact O-N 3.01Å; Q235-A237 VanDerWaalsContact O-N 3.07Å |
| 236 | E | 35.1 | Very low | 38.3 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -53.2 | 117.5 | 170.9 | -66.5 | 175.5 | 124 | 0 | 0 | 108.3 | P234 L238 | P234-E236 PolarHBondContact O-N 3.38Å; E236-L238 HydrophobicContact CB-CD2 4.34Å; E236-L238 HydrophobicContact CB-CG 4.11Å; E236-L238 PolarHBondContact O-N 3.37Å |
| 237 | A | 42.3 | Very low | 39.1 | Very low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | trans | -71.8 | 75.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q235 | Q235-A237 PolarHBondContact O-N 3.01Å; Q235-A237 VanDerWaalsContact O-N 3.07Å |
| 238 | L | 40.3 | Very low | 39.8 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | | | trans | -74.2 | 145.8 | 173.5 | -63.6 | -176 | 0 | 0 | 0 | 109.9 | E236 | E236-L238 HydrophobicContact CB-CD2 4.34Å; E236-L238 HydrophobicContact CB-CG 4.11Å; E236-L238 PolarHBondContact O-N 3.37Å |
| 239 | P | 38.1 | Very low | 40.2 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | | -77.6 | 140.7 | -127.3 | 24.2 | -35.4 | 0 | 0 | 0 | 113.9 | F241 | P239-F241 HydrophobicContact CG-CD2 4.48Å; P239-F241 HydrophobicContact CG-CE2 4.24Å; P239-F241 PolarHBondContact O-N 3.26Å; P239-F241 VanDerWaalsContact O-N 3.08Å |
| 240 | L | 40.2 | Very low | 40.8 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | | | trans | -59.5 | 108.1 | 158.1 | -173.3 | 74.5 | 0 | 0 | 0 | 107.7 | E242 | L240-E242 VanDerWaalsContact C-N 3.25Å; L240-E242 PolarHBondContact O-N 3.05Å |
| 241 | F | 47.1 | Very low | 41.1 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | | | trans | -73.4 | 85.3 | 171.3 | -98 | -91.6 | 0 | 0 | 0 | 109 | P239 I243 | P239-F241 HydrophobicContact CG-CD2 4.48Å; P239-F241 HydrophobicContact CG-CE2 4.24Å; P239-F241 PolarHBondContact O-N 3.26Å; P239-F241 VanDerWaalsContact O-N 3.08Å; F241-I243 PolarHBondContact O-N 2.94Å |
| 242 | E | 39.2 | Very low | 41.3 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 59% | 0.593 | 72% | 0.723 | S | S | * | * | | | trans | -75.9 | 101 | 172.4 | -166.8 | 164 | -139.4 | 0 | 0 | 108.6 | L240 P244 R251 | L240-E242 VanDerWaalsContact C-N 3.25Å; L240-E242 PolarHBondContact O-N 3.05Å; E242-P244 WeakPolarHBondContact O-CD 3.29Å; E242-R251 IonicContact OE1-CZ 3.81Å; E242-R251 IonicContact OE1-NH2 2.81Å; E242-R251 PolarHBondContact OE1-NH2 3.23Å |
| 243 | I | 45.9 | Very low | 41.3 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | | | trans | -96.4 | 112 | 170.5 | -56.8 | 176.6 | 0 | 0 | 0 | 106.9 | F241 D245 | F241-I243 PolarHBondContact O-N 2.94Å; I243-D245 PolarHBondContact O-N 3.28Å |
| 244 | P | 38.9 | Very low | 41.8 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | | | trans | -71.4 | 118.9 | 174.5 | 27.6 | -32.2 | 0 | 0 | 0 | 110.2 | E242 P246 | E242-P244 WeakPolarHBondContact O-CD 3.29Å; P244-P246 WeakPolarHBondContact O-CD 3.38Å |
| 245 | D | 38.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | | | trans | -84.3 | 113.3 | 173.5 | -173.3 | 15.9 | 0 | 0 | 0 | 109.8 | I243 G247 | I243-D245 PolarHBondContact O-N 3.28Å; D245-G247 VanDerWaalsContact C-N 3.26Å; D245-G247 PolarHBondContact O-N 3.26Å |
| 246 | P | 48.5 | Very low | 42.6 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 60.6 | -166.4 | 36 | -37.7 | 0 | 0 | 0 | 112.3 | P244 | P244-P246 WeakPolarHBondContact O-CD 3.38Š|
| 247 | G | 49.1 | Very low | 42.8 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.7 | -39.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | D245 | D245-G247 VanDerWaalsContact C-N 3.26Å; D245-G247 PolarHBondContact O-N 3.26Å |
| 248 | T | 54 | Low | 42.5 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | -0.5 | -158.9 | -21 | 0 | 0 | 0 | 0 | 116.2 | A250 | T248-A250 PolarHBondContact O-N 3.1Š|
| 249 | G | 42.3 | Very low | 42.4 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | 64.3 | 2.4 | 176 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 250 | A | 45.6 | Very low | 42.1 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 60% | 0.603 | 73% | 0.729 | S | S | * | * | | | trans | -79.8 | 122.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T248 V252 | T248-A250 PolarHBondContact O-N 3.1Å; A250-V252 PolarHBondContact O-N 3.45Å |
| 251 | R | 41.4 | Very low | 41.9 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | | | trans | -85.3 | 111.6 | 178.9 | -54.6 | -172.4 | 79.8 | 166 | 7.5 | 110.3 | E242 F253 | E242-R251 IonicContact OE1-CZ 3.81Å; E242-R251 IonicContact OE1-NH2 2.81Å; E242-R251 PolarHBondContact OE1-NH2 3.23Å; R251-F253 HydrophobicContact CB-CE2 3.81Å; R251-F253 HydrophobicContact CB-CZ 4.23Å |
| 252 | V | 40.4 | Very low | 41.3 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | | | trans | -98.8 | 115.6 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | A250 | A250-V252 PolarHBondContact O-N 3.45Š|
| 253 | F | 42.8 | Very low | 41.1 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 61% | 0.605 | 76% | 0.755 | S | S | * | * | | | trans | -97.2 | 115.7 | 177.6 | -65.2 | -86.6 | 0 | 0 | 0 | 110.8 | R251 | R251-F253 HydrophobicContact CB-CE2 3.81Å; R251-F253 HydrophobicContact CB-CZ 4.23Å |
| 254 | L | 42.6 | Very low | 40.4 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | trans | -98.5 | 97.7 | 175.9 | -76 | 167.8 | 0 | 0 | 0 | 110.8 | | |
| 255 | Q | 41.5 | Very low | 40.1 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -88.1 | 110.4 | 174.1 | -170.6 | 151.3 | 10.7 | 0 | 0 | 111.3 | I257 | Q255-I257 HydrophobicContact CG-CG1 4.44Å; Q255-I257 PolarHBondContact O-N 2.92Å |
| 256 | R | 41.4 | Very low | 39.7 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 73% | 0.725 | 77% | 0.769 | S | S | * | * | | | trans | -73.9 | 93 | 172.7 | -174.4 | -170.5 | -69.4 | -178.2 | 4.4 | 110 | Y258 | R256-Y258 HydrophobicContact CG-CD2 4.21Å; R256-Y258 HydrophobicContact CG-CE2 4.05Å; R256-Y258 PolarHBondContact NH1-OH 3.21Å; R256-Y258 PolarHBondContact O-N 3.45Å |
| 257 | I | 39.7 | Very low | 39.2 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | -72.6 | 106.7 | 172.1 | -57.1 | 178.4 | 0 | 0 | 0 | 108.9 | Q255 Q259 | Q255-I257 HydrophobicContact CG-CG1 4.44Å; Q255-I257 PolarHBondContact O-N 2.92Å; I257-Q259 PolarHBondContact O-N 3.28Å |
| 258 | Y | 34.9 | Very low | 38.9 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | | | trans | -79.4 | 99.1 | 164.9 | -85.1 | -82.5 | 0 | 0 | 0 | 109.2 | R256 Q260 | R256-Y258 HydrophobicContact CG-CD2 4.21Å; R256-Y258 HydrophobicContact CG-CE2 4.05Å; R256-Y258 PolarHBondContact NH1-OH 3.21Å; R256-Y258 PolarHBondContact O-N 3.45Å; Y258-Q260 PolarHBondContact O-N 3.39Å |
| 259 | Q | 38.6 | Very low | 37.9 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -91.3 | 92.9 | 171.2 | -162.5 | 163.5 | 38.4 | 0 | 0 | 110.2 | I257 R261 | I257-Q259 PolarHBondContact O-N 3.28Å; Q259-R261 PolarHBondContact O-N 3.11Å |
| 260 | Q | 32.5 | Very low | 37.5 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -77 | 97.7 | 176 | -173.8 | 175.8 | 0.4 | 0 | 0 | 109.4 | Y258 E262 | Y258-Q260 PolarHBondContact O-N 3.39Å; Q260-E262 PolarHBondContact O-N 2.92Å |
| 261 | R | 35.9 | Very low | 37.1 | Very low | 236 Ų | 236 | 149 Ų | 149 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -78.1 | 103.3 | 172.1 | -166.9 | 179.3 | -168.6 | -129.2 | 3.3 | 109.2 | Q259 A263 | Q259-R261 PolarHBondContact O-N 3.11Å; R261-A263 PolarHBondContact O-N 3.33Å |
| 262 | E | 34.9 | Very low | 37 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -66.9 | 121.3 | 172.9 | -166.5 | 166.5 | -173.7 | 0 | 0 | 109.4 | Q260 A264 | Q260-E262 PolarHBondContact O-N 2.92Å; E262-A264 PolarHBondContact O-N 3.46Å |
| 263 | A | 33.3 | Very low | 36.6 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -84.6 | 109.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R261 A265 | R261-A263 PolarHBondContact O-N 3.33Å; A263-A265 PolarHBondContact O-N 3.38Å |
| 264 | A | 32.5 | Very low | 36 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 130.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | E262 A266 | E262-A264 PolarHBondContact O-N 3.46Å; A264-A266 PolarHBondContact O-N 3.44Å |
| 265 | A | 31.5 | Very low | 35.8 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63 | 128.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A263 V267 | A263-A265 PolarHBondContact O-N 3.38Å; A265-V267 PolarHBondContact O-N 2.89Å |
| 266 | A | 30.9 | Very low | 35.5 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A264 | A264-A266 PolarHBondContact O-N 3.44Š|
| 267 | V | 38.1 | Very low | 35.2 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68 | 130.7 | 164.9 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | A265 D269 | A265-V267 PolarHBondContact O-N 2.89Å; V267-D269 PolarHBondContact O-N 2.97Å |
| 268 | P | 42.5 | Very low | 35.1 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 119.4 | 171.1 | 28.2 | -31.5 | 0 | 0 | 0 | 109.2 | | |
| 269 | D | 32.2 | Very low | 34.9 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67 | 160.2 | 179.5 | -96.8 | -48.4 | 0 | 0 | 0 | 113.2 | V267 | V267-D269 PolarHBondContact O-N 2.97Š|
| 270 | A | 34.2 | Very low | 34.7 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 155 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 271 | E | 37.3 | Very low | 34.5 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64 | 135.3 | 168.4 | 179.6 | 175.7 | -157.6 | 0 | 0 | 111.7 | | |
| 272 | P | 40.2 | Very low | 34.2 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 117 | 166.5 | 33.1 | -27.1 | 0 | 0 | 0 | 111.4 | | |
| 273 | D | 30.8 | Very low | 34.2 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54 | 133.6 | 169.4 | -77.6 | -60.5 | 0 | 0 | 0 | 112.2 | | |
| 274 | G | 30.6 | Very low | 33.9 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | -121.1 | 125.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 275 | P | 37.8 | Very low | 34 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | | | trans | -80 | 154.6 | -172.7 | 31.1 | -35.2 | 0 | 0 | 0 | 114.5 | | |
| 276 | T | 35.5 | Very low | 34 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -56.7 | 137.4 | -174.1 | -33.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 277 | S | 35.7 | Very low | 34.7 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | | -166.7 | 137.8 | 128.8 | 23.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 278 | E | 37 | Very low | 34.5 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | | | trans | -49.6 | 144.9 | 173.1 | 49.1 | -102.7 | 72.5 | 0 | 0 | 116.5 | | |
| 279 | N | 30.9 | Very low | 34.2 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | | -178.3 | 134.9 | 116.6 | -101.6 | -78.8 | 0 | 0 | 0 | 114.2 | | |
| 280 | L | 35.1 | Very low | 34.2 | Very low | 143 Ų | 143 | 151.4 Ų | 151.4 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | | | trans | 54.2 | 110.7 | 148.1 | -61.3 | 168.4 | 0 | 0 | 0 | 122.2 | | |
| 281 | V | 27.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 152.8 Ų | 152.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | | 43.8 | 116.2 | 116.3 | 178.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 282 | S | 29.1 | Very low | 34 | Very low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | | -170.4 | 175 | 58 | -141.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 283 | E | 34.5 | Very low | 33.6 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -57.8 | 142.1 | 178.1 | -59.6 | 177.6 | 80.8 | 0 | 0 | 115 | | |
| 284 | Q | 28.4 | Very low | 33.3 | Very low | 187 Ų | 187 | 157.7 Ų | 157.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | | -147.7 | 115.2 | 126.3 | -150.5 | 173.3 | -2.8 | 0 | 0 | 112.3 | | |
| 285 | K | 34.4 | Very low | 33.5 | Very low | 194 Ų | 194 | 160 Ų | 160 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -79.1 | 120.5 | 171.3 | 169.3 | -170.9 | 176.2 | -175.6 | 0 | 109.3 | | |
| 286 | D | 32.1 | Very low | 33 | Very low | 147 Ų | 147 | 158.3 Ų | 158.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -147 | 144.6 | 158.7 | -149.6 | -15.4 | 0 | 0 | 0 | 112.3 | R288 | D286-R288 PolarHBondContact O-N 2.97Š|
| 287 | E | 44.2 | Very low | 32.5 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -78.5 | 116.8 | -175.7 | -78.1 | -171.5 | 73.9 | 0 | 0 | 111.7 | | |
| 288 | R | 34.7 | Very low | 32.3 | Very low | 246 Ų | 246 | 157.4 Ų | 157.4 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | | | trans | -117.4 | 76.6 | 162.3 | -125.6 | -178.7 | -168 | -135.5 | 4.5 | 113.4 | D286 K290 | D286-R288 PolarHBondContact O-N 2.97Å; R288-K290 PolarHBondContact O-N 3.34Å |
| 289 | K | 35.5 | Very low | 31.8 | Very low | 184 Ų | 184 | 159.4 Ų | 159.4 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | 11.3 | 97.2 | 146.8 | -160.3 | 175.2 | -164.1 | 174 | 0 | 114.6 | T291 | K289-T291 VanDerWaalsContact C-N 3.33Å; K289-T291 PolarHBondContact O-N 3.24Å; K289-T291 PolarHBondContact O-OG1 3.1Å |
| 290 | K | 33.4 | Very low | 31.8 | Very low | 201 Ų | 201 | 160.7 Ų | 160.7 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -56.9 | 91.6 | 173.3 | -177.3 | 179.4 | 179.1 | 178.7 | 0 | 110.1 | R288 E292 | R288-K290 PolarHBondContact O-N 3.34Å; K290-E292 PolarHBondContact O-N 3.42Å |
| 291 | T | 32.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | -81 | 107.5 | 171.2 | -52.8 | 0 | 0 | 0 | 0 | 106.7 | K289 Q293 | K289-T291 VanDerWaalsContact C-N 3.33Å; K289-T291 PolarHBondContact O-N 3.24Å; K289-T291 PolarHBondContact O-OG1 3.1Å; T291-Q293 PolarHBondContact O-N 2.91Å |
| 292 | E | 33.7 | Very low | 31.5 | Very low | 159 Ų | 159 | 159.9 Ų | 159.9 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | | | trans | -58.6 | 102.3 | 178.6 | -174.2 | -178.9 | 125.2 | 0 | 0 | 110 | K290 R294 | K290-E292 PolarHBondContact O-N 3.42Å; E292-R294 VanDerWaalsContact C-N 3.26Å; E292-R294 PolarHBondContact O-N 3.18Å |
| 293 | Q | 31.4 | Very low | 31.7 | Very low | 188 Ų | 188 | 158.4 Ų | 158.4 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | -75 | 84.4 | 177.7 | -170.3 | 165.8 | 4.5 | 0 | 0 | 108.9 | T291 | T291-Q293 PolarHBondContact O-N 2.91Š|
| 294 | R | 26 | Very low | 31.7 | Very low | 213 Ų | 213 | 152.9 Ų | 152.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 127.6 | 169.7 | -109.2 | -175.5 | 174.3 | -157.5 | -1.2 | 109 | E292 A296 | E292-R294 VanDerWaalsContact C-N 3.26Å; E292-R294 PolarHBondContact O-N 3.18Å; R294-A296 PolarHBondContact O-N 3.03Å |
| 295 | P | 33.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.7 | 176.4 | 24.5 | -32.6 | 0 | 0 | 0 | 109.1 | A297 | P295-A297 PolarHBondContact O-N 3.32Š|
| 296 | A | 27 | Very low | 31.9 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 131 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R294 V298 | R294-A296 PolarHBondContact O-N 3.03Å; A296-V298 PolarHBondContact O-N 3.19Å; A296-V298 VanDerWaalsContact O-N 3.14Å |
| 297 | A | 26.6 | Very low | 32 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P295 F299 | P295-A297 PolarHBondContact O-N 3.32Å; A297-F299 WeakPolarHBondContact O-CD2 3.27Å; A297-F299 PolarHBondContact O-N 3.27Å |
| 298 | V | 30 | Very low | 31.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | | | trans | -63.9 | 109.4 | 175.8 | 178 | 0 | 0 | 0 | 0 | 108.3 | A296 L300 | A296-V298 PolarHBondContact O-N 3.19Å; A296-V298 VanDerWaalsContact O-N 3.14Å; V298-L300 PolarHBondContact O-N 3.1Å; V298-L300 VanDerWaalsContact O-N 3.12Å |
| 299 | F | 27.7 | Very low | 31.5 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | | | trans | -69.7 | 108.2 | 176.3 | -84.6 | -93.2 | 0 | 0 | 0 | 109.8 | A297 G301 | A297-F299 WeakPolarHBondContact O-CD2 3.27Å; A297-F299 PolarHBondContact O-N 3.27Å; F299-G301 PolarHBondContact O-N 3.27Å |
| 300 | L | 30.6 | Very low | 31.6 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | | | trans | -75.2 | 76.2 | 174.6 | -155.5 | 82.3 | 0 | 0 | 0 | 110.2 | V298 K302 | V298-L300 PolarHBondContact O-N 3.1Å; V298-L300 VanDerWaalsContact O-N 3.12Å; L300-K302 PolarHBondContact O-N 3.1Å |
| 301 | G | 27.1 | Very low | 31.7 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | | | trans | -63.8 | 116.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F299 S303 | F299-G301 PolarHBondContact O-N 3.27Å; G301-S303 PolarHBondContact O-N 3.08Å; G301-S303 VanDerWaalsContact O-N 3.08Å |
| 302 | K | 29.6 | Very low | 32 | Very low | 186 Ų | 186 | 125 Ų | 125 | 81% | 0.809 | 72% | 0.716 | S | S | * | * | | | trans | -78.1 | 86.8 | 168.7 | -70.7 | -177.6 | 178.3 | 179.2 | 0 | 109.1 | L300 | L300-K302 PolarHBondContact O-N 3.1Š|
| 303 | S | 32.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | | | trans | -69.7 | 135 | 170.2 | -160.4 | 0 | 0 | 0 | 0 | 110.1 | G301 | G301-S303 PolarHBondContact O-N 3.08Å; G301-S303 VanDerWaalsContact O-N 3.08Å |
| 304 | A | 34.3 | Very low | 32.8 | Very low | 64 Ų | 64 | 121.8 Ų | 121.8 | 53% | 0.529 | 72% | 0.72 | S | S | . | * | | | trans | -124.3 | 85.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109 | V306 | A304-V306 PolarHBondContact O-N 2.87Š|
| 305 | A | 32.8 | Very low | 33.5 | Very low | 65 Ų | 65 | 115 Ų | 115 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | | | trans | -71 | 112.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 306 | V | 35.4 | Very low | 34 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | | | trans | -96.2 | 91.1 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | A304 C308 | A304-V306 PolarHBondContact O-N 2.87Å; V306-C308 PolarHBondContact O-N 2.76Å; V306-C308 VanDerWaalsContact O-N 3.1Å |
| 307 | T | 34.2 | Very low | 35 | Very low | 116 Ų | 116 | 111.3 Ų | 111.3 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | | | trans | -81.1 | 83.6 | 176.8 | 22.2 | 0 | 0 | 0 | 0 | 111.6 | R309 | T307-R309 PolarHBondContact O-N 3.12Å; T307-R309 VanDerWaalsContact O-N 3.1Å |
| 308 | C | 34.4 | Very low | 36.2 | Very low | 79 Ų | 79 | 116.9 Ų | 116.9 | 53% | 0.534 | 71% | 0.713 | S | S | . | * | | | trans | -72.7 | 95.9 | 168.3 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | V306 P310 | V306-C308 PolarHBondContact O-N 2.76Å; V306-C308 VanDerWaalsContact O-N 3.1Å; C308-P310 WeakPolarHBondContact O-CD 3.3Å |
| 309 | R | 33 | Very low | 37.3 | Very low | 232 Ų | 232 | 112.5 Ų | 112.5 | 88% | 0.875 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 121.1 | 166.5 | -103.5 | -173.9 | 170.3 | 172.3 | -2.3 | 109.5 | T307 G311 | T307-R309 PolarHBondContact O-N 3.12Å; T307-R309 VanDerWaalsContact O-N 3.1Å; R309-G311 PolarHBondContact O-N 3.42Å |
| 310 | P | 36.8 | Very low | 38.6 | Very low | 101 Ų | 101 | 108.1 Ų | 108.1 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.9 | 166.4 | 27.8 | -31.4 | 0 | 0 | 0 | 108.7 | C308 | C308-P310 WeakPolarHBondContact O-CD 3.3Š|
| 311 | G | 36.1 | Very low | 39.9 | Very low | 40 Ų | 40 | 105.5 Ų | 105.5 | 41% | 0.412 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 162.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | R309 F313 | R309-G311 PolarHBondContact O-N 3.42Å; G311-F313 PolarHBondContact O-N 3.03Å |
| 312 | P | 40 | Very low | 41.4 | Very low | 141 Ų | 141 | 109 Ų | 109 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | | | trans | -74.2 | 69.8 | -174.4 | 32.3 | -36.7 | 0 | 0 | 0 | 112.2 | G314 | P312-G314 VanDerWaalsContact C-N 3.34Å; P312-G314 PolarHBondContact O-N 3.46Å; P312-G314 VanDerWaalsContact O-N 3.08Å |
| 313 | F | 39.6 | Very low | 43 | Very low | 200 Ų | 200 | 105.7 Ų | 105.7 | 88% | 0.877 | 65% | 0.647 | S | S | * | * | | | trans | -80.3 | 82 | 170.5 | -87.3 | -83.7 | 0 | 0 | 0 | 110.3 | G311 | G311-F313 PolarHBondContact O-N 3.03Š|
| 314 | G | 41.4 | Very low | 44.7 | Very low | 80 Ų | 80 | 108.4 Ų | 108.4 | 83% | 0.825 | 65% | 0.65 | S | S | * | * | | | trans | -68 | 125.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P312 | P312-G314 VanDerWaalsContact C-N 3.34Å; P312-G314 PolarHBondContact O-N 3.46Å; P312-G314 VanDerWaalsContact O-N 3.08Å |
| 315 | G | 39.9 | Very low | 46.4 | Very low | 72 Ų | 72 | 109.9 Ų | 109.9 | 74% | 0.742 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 144.8 | 87.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 316 | G | 44.3 | Very low | 48.5 | Very low | 68 Ų | 68 | 113.1 Ų | 113.1 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 31.9 | 102.1 | 151 | 0 | 0 | 0 | 0 | 0 | 120.6 | R318 | G316-R318 PolarHBondContact O-N 3.33Š|
| 317 | G | 48.9 | Very low | 50.4 | Low | 67 Ų | 67 | 111.1 Ų | 111.1 | 69% | 0.691 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.2 | -38.6 | 146 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 318 | R | 52.2 | Low | 52.4 | Low | 200 Ų | 200 | 112.7 Ų | 112.7 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.7 | -32.2 | -171.4 | -53.7 | -177.9 | -154.4 | -175.4 | 6.6 | 112.7 | G316 N320 L321 F322 | G316-R318 PolarHBondContact O-N 3.33Å; R318-N320 VanDerWaalsContact C-N 3.27Å; R318-N320 PolarHBondContact O-N 3.04Å; R318-L321 PolarHBondContact O-N 3.14Å; R318-L321 VanDerWaalsContact O-N 3.11Å; R318-F322 HydrophobicContact CB-CE2 4.39Å; R318-F322 VanDerWaalsContact O-CD2 3.24Å; R318-F322 WeakPolarHBondContact O-CD2 3.3Å; R318-F322 PolarHBondContact O-N 3.35Å |
| 319 | G | 52.1 | Low | 54.3 | Low | 47 Ų | 47 | 115.4 Ų | 115.4 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -58.2 | -35.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L321 F322 Y323 | G319-L321 PolarHBondContact O-N 3.23Å; G319-F322 PolarHBondContact O-N 2.87Å; G319-Y323 PolarHBondContact O-N 3.12Å; G319-Y323 VanDerWaalsContact O-N 3.1Å |
| 320 | N | 54.7 | Low | 56.4 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 55% | 0.551 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63 | -41.1 | 176.8 | -69 | -6.3 | 0 | 0 | 0 | 111.7 | R318 Y323 F324 | R318-N320 VanDerWaalsContact C-N 3.27Å; R318-N320 PolarHBondContact O-N 3.04Å; N320-Y323 WeakPolarHBondContact O-CB 3.27Å; N320-Y323 PolarHBondContact O-N 3.33Å; N320-F324 HydrophobicContact CB-CE2 4.4Å; N320-F324 WeakPolarHBondContact O-CD2 3.26Å; N320-F324 PolarHBondContact O-N 3.39Å |
| 321 | L | 57.6 | Low | 58.2 | Low | 109 Ų | 109 | 107.7 Ų | 107.7 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.9 | -42.4 | -179.4 | -171.7 | 66.3 | 0 | 0 | 0 | 111.4 | R318 G319 Y323 F324 I325 | R318-L321 PolarHBondContact O-N 3.14Å; R318-L321 VanDerWaalsContact O-N 3.11Å; G319-L321 PolarHBondContact O-N 3.23Å; L321-Y323 VanDerWaalsContact C-N 3.32Å; L321-Y323 PolarHBondContact O-N 2.86Å; L321-F324 PolarHBondContact O-N 2.94Å; L321-I325 HydrophobicContact CG-CD1 3.95Å; L321-I325 VanDerWaalsContact O-CG1 3.26Å; L321-I325 WeakPolarHBondContact O-CG1 3.41Å; L321-I325 PolarHBondContact O-N 3.32Å |
| 322 | F | 60.1 | Low | 59.8 | Low | 143 Ų | 143 | 109.3 Ų | 109.3 | 63% | 0.627 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63 | -37.8 | 174.5 | -69.1 | -69 | 0 | 0 | 0 | 112.5 | R318 G319 I325 F326 | R318-F322 HydrophobicContact CB-CE2 4.39Å; R318-F322 VanDerWaalsContact O-CD2 3.24Å; R318-F322 WeakPolarHBondContact O-CD2 3.3Å; R318-F322 PolarHBondContact O-N 3.35Å; G319-F322 PolarHBondContact O-N 2.87Å; F322-I325 PolarHBondContact O-N 2.92Å; F322-F326 WeakPolarHBondContact O-CB 3.4Å; F322-F326 PolarHBondContact O-N 3.36Å |
| 323 | Y | 63.8 | Low | 61.1 | Low | 116 Ų | 116 | 110 Ų | 110 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -44.4 | 175.1 | -170.5 | -108.9 | 0 | 0 | 0 | 112.2 | G319 N320 L321 F326 I327 | G319-Y323 PolarHBondContact O-N 3.12Å; G319-Y323 VanDerWaalsContact O-N 3.1Å; N320-Y323 WeakPolarHBondContact O-CB 3.27Å; N320-Y323 PolarHBondContact O-N 3.33Å; L321-Y323 VanDerWaalsContact C-N 3.32Å; L321-Y323 PolarHBondContact O-N 2.86Å; Y323-F326 PolarHBondContact O-N 3.24Å; Y323-I327 HydrophobicContact CD1-CD1 3.76Å; Y323-I327 HydrophobicContact CE1-CD1 3.3Å; Y323-I327 HydrophobicContact CE1-CG1 4.45Å; Y323-I327 HydrophobicContact CE2-CD1 4.23Å; Y323-I327 HydrophobicContact CG-CD1 4.4Å; Y323-I327 WeakPolarHBondContact O-CG1 3.47Å; Y323-I327 PolarHBondContact O-N 2.81Å |
| 324 | F | 66.1 | Low | 62.3 | Low | 136 Ų | 136 | 102.3 Ų | 102.3 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.9 | -44.3 | 174.3 | -75.2 | -63.5 | 0 | 0 | 0 | 112.5 | N320 L321 F326 I327 F328 | N320-F324 HydrophobicContact CB-CE2 4.4Å; N320-F324 WeakPolarHBondContact O-CD2 3.26Å; N320-F324 PolarHBondContact O-N 3.39Å; L321-F324 PolarHBondContact O-N 2.94Å; F324-F326 VanDerWaalsContact C-N 3.34Å; F324-F326 PolarHBondContact O-N 3.4Å; F324-I327 PolarHBondContact O-N 2.82Å; F324-F328 VanDerWaalsContact O-CB 3.27Å; F324-F328 WeakPolarHBondContact O-CB 3.24Å; F324-F328 PolarHBondContact O-N 3.44Å |
| 325 | I | 71.6 | Confident | 63.2 | Low | 95 Ų | 95 | 103.5 Ų | 103.5 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.7 | -69.2 | 165.1 | 0 | 0 | 0 | 110.6 | L321 F322 F328 Y329 | L321-I325 HydrophobicContact CG-CD1 3.95Å; L321-I325 VanDerWaalsContact O-CG1 3.26Å; L321-I325 WeakPolarHBondContact O-CG1 3.41Å; L321-I325 PolarHBondContact O-N 3.32Å; F322-I325 PolarHBondContact O-N 2.92Å; I325-F328 PolarHBondContact O-N 3.49Å; I325-Y329 VanDerWaalsContact O-CB 3.3Å; I325-Y329 WeakPolarHBondContact O-CB 3.47Å; I325-Y329 PolarHBondContact O-N 3.2Å |
| 326 | F | 75.9 | Confident | 64 | Low | 132 Ų | 132 | 104.9 Ų | 104.9 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.5 | -45.6 | 179.6 | -169.4 | -93 | 0 | 0 | 0 | 112.2 | F322 Y323 F324 F328 Y329 F330 | F322-F326 WeakPolarHBondContact O-CB 3.4Å; F322-F326 PolarHBondContact O-N 3.36Å; Y323-F326 PolarHBondContact O-N 3.24Å; F324-F326 VanDerWaalsContact C-N 3.34Å; F324-F326 PolarHBondContact O-N 3.4Å; F326-F328 PolarHBondContact O-N 3.24Å; F326-Y329 PolarHBondContact O-N 3.08Å; F326-F330 VanDerWaalsContact O-CB 3.3Å; F326-F330 WeakPolarHBondContact O-CB 3.34Å; F326-F330 PolarHBondContact O-N 3.19Å |
| 327 | I | 76.6 | Confident | 64.4 | Low | 56 Ų | 56 | 105.8 Ų | 105.8 | 29% | 0.287 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.6 | -75.1 | 176.2 | 0 | 0 | 0 | 111 | Y323 F324 F330 L331 | Y323-I327 HydrophobicContact CD1-CD1 3.76Å; Y323-I327 HydrophobicContact CE1-CD1 3.3Å; Y323-I327 HydrophobicContact CE1-CG1 4.45Å; Y323-I327 HydrophobicContact CE2-CD1 4.23Å; Y323-I327 HydrophobicContact CG-CD1 4.4Å; Y323-I327 WeakPolarHBondContact O-CG1 3.47Å; Y323-I327 PolarHBondContact O-N 2.81Å; F324-I327 PolarHBondContact O-N 2.82Å; I327-F330 PolarHBondContact O-N 3.17Å; I327-L331 HydrophobicContact CG2-CD1 3.69Å; I327-L331 HydrophobicContact CG2-CG 4.4Å; I327-L331 WeakPolarHBondContact O-CB 3.4Å; I327-L331 WeakPolarHBondContact O-CG 3.42Å; I327-L331 PolarHBondContact O-N 3.44Å |
| 328 | F | 75.5 | Confident | 64.2 | Low | 149 Ų | 149 | 105.9 Ų | 105.9 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | -178.3 | -161.6 | -89.2 | 0 | 0 | 0 | 111.7 | F324 I325 F326 T332 | F324-F328 VanDerWaalsContact O-CB 3.27Å; F324-F328 WeakPolarHBondContact O-CB 3.24Å; F324-F328 PolarHBondContact O-N 3.44Å; I325-F328 PolarHBondContact O-N 3.49Å; F326-F328 PolarHBondContact O-N 3.24Å; F328-T332 VanDerWaalsContact O-CB 3.29Å; F328-T332 WeakPolarHBondContact O-CB 3.06Å; F328-T332 PolarHBondContact O-N 3.39Å; F328-T332 PolarHBondContact O-OG1 2.75Å |
| 329 | Y | 74.8 | Confident | 63.9 | Low | 136 Ų | 136 | 97.7 Ų | 97.7 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 173.9 | -177.2 | -100.8 | 0 | 0 | 0 | 111.8 | I325 F326 T332 R333 | I325-Y329 VanDerWaalsContact O-CB 3.3Å; I325-Y329 WeakPolarHBondContact O-CB 3.47Å; I325-Y329 PolarHBondContact O-N 3.2Å; F326-Y329 PolarHBondContact O-N 3.08Å; Y329-T332 PolarHBondContact O-N 2.8Å; Y329-R333 HydrophobicContact CD1-CG 4.36Å; Y329-R333 HydrophobicContact CE1-CG 3.91Å; Y329-R333 HydrophobicContact CE2-CG 4.39Å; Y329-R333 WeakPolarHBondContact O-CB 3.36Å; Y329-R333 PolarHBondContact O-N 2.92Å; Y329-R333 PolarHBondContact OH-NE 3.27Å; Y329-R333 VanDerWaalsContact OH-NE 3.13Å; Y329-R333 PolarHBondContact OH-NH2 3.41Å |
| 330 | F | 77.3 | Confident | 63.3 | Low | 103 Ų | 103 | 103.6 Ų | 103.6 | 45% | 0.452 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 177.4 | -171.4 | -94.4 | 0 | 0 | 0 | 112 | F326 I327 T332 R333 L334 | F326-F330 VanDerWaalsContact O-CB 3.3Å; F326-F330 WeakPolarHBondContact O-CB 3.34Å; F326-F330 PolarHBondContact O-N 3.19Å; I327-F330 PolarHBondContact O-N 3.17Å; F330-T332 PolarHBondContact O-N 3.19Å; F330-R333 PolarHBondContact O-N 3.1Å; F330-L334 HydrophobicContact CE1-CD1 4.32Å; F330-L334 HydrophobicContact CZ-CD1 4.49Å; F330-L334 WeakPolarHBondContact O-CB 3.46Å; F330-L334 PolarHBondContact O-N 3.27Å |
| 331 | L | 74.1 | Confident | 62.6 | Low | 69 Ų | 69 | 102.4 Ų | 102.4 | 36% | 0.361 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 174.2 | -77.8 | 165.6 | 0 | 0 | 0 | 111.7 | I327 R333 L334 L335 L341 | I327-L331 HydrophobicContact CG2-CD1 3.69Å; I327-L331 HydrophobicContact CG2-CG 4.4Å; I327-L331 WeakPolarHBondContact O-CB 3.4Å; I327-L331 WeakPolarHBondContact O-CG 3.42Å; I327-L331 PolarHBondContact O-N 3.44Å; L331-R333 PolarHBondContact O-N 3.47Å; L331-L334 WeakPolarHBondContact O-CB 3.48Å; L331-L334 PolarHBondContact O-N 3.45Å; L331-L335 WeakPolarHBondContact O-CB 3.4Å; L331-L335 PolarHBondContact O-N 3.18Å; L331-L341 HydrophobicContact CD2-CD1 4.12Å |
| 332 | T | 69.6 | Low | 61.6 | Low | 74 Ų | 74 | 103.3 Ų | 103.3 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | F328 Y329 F330 L335 S336 | F328-T332 VanDerWaalsContact O-CB 3.29Å; F328-T332 WeakPolarHBondContact O-CB 3.06Å; F328-T332 PolarHBondContact O-N 3.39Å; F328-T332 PolarHBondContact O-OG1 2.75Å; Y329-T332 PolarHBondContact O-N 2.8Å; F330-T332 PolarHBondContact O-N 3.19Å; T332-L335 PolarHBondContact O-N 3.35Å; T332-S336 VanDerWaalsContact O-CB 3.27Å; T332-S336 WeakPolarHBondContact O-CB 3.48Å; T332-S336 PolarHBondContact O-N 3.48Å |
| 333 | R | 67.7 | Low | 60.5 | Low | 156 Ų | 156 | 101.3 Ų | 101.3 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -39.7 | 173 | -85.2 | -70.8 | -169.2 | 170.3 | 1.9 | 112.5 | Y329 F330 L331 S336 A337 | Y329-R333 HydrophobicContact CD1-CG 4.36Å; Y329-R333 HydrophobicContact CE1-CG 3.91Å; Y329-R333 HydrophobicContact CE2-CG 4.39Å; Y329-R333 WeakPolarHBondContact O-CB 3.36Å; Y329-R333 PolarHBondContact O-N 2.92Å; Y329-R333 PolarHBondContact OH-NE 3.27Å; Y329-R333 VanDerWaalsContact OH-NE 3.13Å; Y329-R333 PolarHBondContact OH-NH2 3.41Å; F330-R333 PolarHBondContact O-N 3.1Å; L331-R333 PolarHBondContact O-N 3.47Å; R333-S336 PolarHBondContact O-N 3.15Å; R333-A337 WeakPolarHBondContact O-CB 3.44Å; R333-A337 PolarHBondContact O-N 3.11Å |
| 334 | L | 64.8 | Low | 59 | Low | 37 Ų | 37 | 98.7 Ų | 98.7 | 19% | 0.194 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.4 | -153.4 | 78.7 | 0 | 0 | 0 | 111.4 | F330 L331 A337 G339 L341 L367 | F330-L334 HydrophobicContact CE1-CD1 4.32Å; F330-L334 HydrophobicContact CZ-CD1 4.49Å; F330-L334 WeakPolarHBondContact O-CB 3.46Å; F330-L334 PolarHBondContact O-N 3.27Å; L331-L334 WeakPolarHBondContact O-CB 3.48Å; L331-L334 PolarHBondContact O-N 3.45Å; L334-A337 PolarHBondContact O-N 3.42Å; L334-G339 WeakPolarHBondContact O-CA 3.35Å; L334-G339 PolarHBondContact O-N 3.36Å; L334-L341 HydrophobicContact CD2-CD2 4.23Å; L334-L367 HydrophobicContact CD2-CD1 4.21Å |
| 335 | L | 59.9 | Low | 57.7 | Low | 106 Ų | 106 | 102.2 Ų | 102.2 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.8 | -43.9 | 176.6 | -143.4 | 75.6 | 0 | 0 | 0 | 111.2 | L331 T332 A337 G338 L341 | L331-L335 WeakPolarHBondContact O-CB 3.4Å; L331-L335 PolarHBondContact O-N 3.18Å; T332-L335 PolarHBondContact O-N 3.35Å; L335-A337 PolarHBondContact O-N 3.12Å; L335-G338 PolarHBondContact O-N 3.3Å; L335-G338 VanDerWaalsContact O-N 3.07Å; L335-L341 HydrophobicContact CD1-CD1 3.96Å; L335-L341 HydrophobicContact CD1-CG 4.27Å |
| 336 | S | 56.6 | Low | 55.8 | Low | 100 Ų | 100 | 100.8 Ų | 100.8 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.1 | -20.5 | 176 | -175.5 | 0 | 0 | 0 | 0 | 113.7 | T332 R333 G338 | T332-S336 VanDerWaalsContact O-CB 3.27Å; T332-S336 WeakPolarHBondContact O-CB 3.48Å; T332-S336 PolarHBondContact O-N 3.48Å; R333-S336 PolarHBondContact O-N 3.15Å; S336-G338 VanDerWaalsContact C-N 3.26Å |
| 337 | A | 52.8 | Low | 53.6 | Low | 88 Ų | 88 | 105.6 Ų | 105.6 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 6.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R333 L334 L335 | R333-A337 WeakPolarHBondContact O-CB 3.44Å; R333-A337 PolarHBondContact O-N 3.11Å; L334-A337 PolarHBondContact O-N 3.42Å; L335-A337 PolarHBondContact O-N 3.12Å |
| 338 | G | 43.6 | Very low | 51.5 | Low | 68 Ų | 68 | 107.7 Ų | 107.7 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.2 | 14.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | L335 S336 K340 | L335-G338 PolarHBondContact O-N 3.3Å; L335-G338 VanDerWaalsContact O-N 3.07Å; S336-G338 VanDerWaalsContact C-N 3.26Å; G338-K340 PolarHBondContact O-N 3.1Å |
| 339 | G | 46 | Very low | 49.6 | Very low | 28 Ų | 28 | 106.2 Ų | 106.2 | 29% | 0.289 | 60% | 0.603 | S | S | . | * | | | trans | -66.1 | 111.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L334 L341 | L334-G339 WeakPolarHBondContact O-CA 3.35Å; L334-G339 PolarHBondContact O-N 3.36Å; G339-L341 PolarHBondContact O-N 2.92Å |
| 340 | K | 40.5 | Very low | 48 | Very low | 171 Ų | 171 | 105.1 Ų | 105.1 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | | | trans | -76.3 | 112.7 | 170.3 | -164.7 | 99.2 | 176.6 | -172.7 | 0 | 108.5 | G338 D342 | G338-K340 PolarHBondContact O-N 3.1Å; K340-D342 PolarHBondContact O-N 2.88Å |
| 341 | L | 40.2 | Very low | 46.1 | Very low | 79 Ų | 79 | 108 Ų | 108 | 41% | 0.414 | 63% | 0.631 | S | S | . | * | | | trans | -81.6 | 90.6 | 167.7 | -68.7 | 173 | 0 | 0 | 0 | 108.3 | L331 L334 L335 G339 C343 | L331-L341 HydrophobicContact CD2-CD1 4.12Å; L334-L341 HydrophobicContact CD2-CD2 4.23Å; L335-L341 HydrophobicContact CD1-CD1 3.96Å; L335-L341 HydrophobicContact CD1-CG 4.27Å; G339-L341 PolarHBondContact O-N 2.92Å; L341-C343 PolarHBondContact O-N 3.37Å; L341-C343 VanDerWaalsContact O-N 3.1Å |
| 342 | D | 35.6 | Very low | 44.1 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 68% | 0.684 | 66% | 0.656 | S | S | * | * | | | trans | -75.5 | 94.5 | 167.3 | -74.3 | -39.8 | 0 | 0 | 0 | 108.6 | K340 G344 | K340-D342 PolarHBondContact O-N 2.88Å; D342-G344 VanDerWaalsContact C-N 3.33Å; D342-G344 PolarHBondContact O-N 3.26Å |
| 343 | C | 38.4 | Very low | 42.8 | Very low | 101 Ų | 101 | 115.8 Ų | 115.8 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | | | trans | -66.3 | 92.9 | 169.8 | -64 | 0 | 0 | 0 | 0 | 109 | L341 | L341-C343 PolarHBondContact O-N 3.37Å; L341-C343 VanDerWaalsContact O-N 3.1Å |
| 344 | G | 32.2 | Very low | 41.1 | Very low | 61 Ų | 61 | 112.7 Ų | 112.7 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | | | trans | -53.4 | 140.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D342 G346 | D342-G344 VanDerWaalsContact C-N 3.33Å; D342-G344 PolarHBondContact O-N 3.26Å; G344-G346 PolarHBondContact O-N 2.84Å; G344-G346 VanDerWaalsContact O-N 3.1Å |
| 345 | Q | 37.2 | Very low | 39.7 | Very low | 209 Ų | 209 | 119 Ų | 119 | 98% | 0.977 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -56.1 | 115.5 | 178.9 | -71.6 | 173.8 | -32.8 | 0 | 0 | 110.4 | | |
| 346 | G | 33.7 | Very low | 38.5 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 71% | 0.713 | S | S | * | * | | | trans | 143.1 | 39.7 | 180 | 0 | 0 | 0 | 0 | 0 | 116 | G344 P348 | G344-G346 PolarHBondContact O-N 2.84Å; G344-G346 VanDerWaalsContact O-N 3.1Å; G346-P348 WeakPolarHBondContact O-CD 3.34Å |
| 347 | W | 28.2 | Very low | 37.6 | Very low | 233 Ų | 233 | 125.3 Ų | 125.3 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | | | trans | -102 | 108.9 | 167 | -101.5 | 14.5 | 0 | 0 | 0 | 110.5 | | |
| 348 | P | 33.4 | Very low | 37.1 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | | | trans | -83.5 | 130.4 | 167.4 | 32.5 | -30.7 | 0 | 0 | 0 | 110.4 | G346 | G346-P348 WeakPolarHBondContact O-CD 3.34Š|
| 349 | P | 35 | Very low | 36.8 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -85.9 | 156.4 | 161.2 | 35.2 | -31.7 | 0 | 0 | 0 | 110.4 | | |
| 350 | P | 41.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | -118.2 | 115.5 | -11.7 | 34.1 | -17.6 | 0 | 0 | 0 | 111.4 | W352 | P350-W352 VanDerWaalsContact C-N 3.3Å; P350-W352 PolarHBondContact O-N 3.31Å |
| 351 | L | 37.5 | Very low | 36.1 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | trans | -77.6 | 82.7 | 171.4 | -80 | 172.2 | 0 | 0 | 0 | 111.3 | P353 | L351-P353 WeakPolarHBondContact O-CD 2.91Š|
| 352 | W | 31.9 | Very low | 35.9 | Very low | 231 Ų | 231 | 131 Ų | 131 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 120.7 | 153.8 | -135.5 | -51.9 | 0 | 0 | 0 | 108 | P350 | P350-W352 VanDerWaalsContact C-N 3.3Å; P350-W352 PolarHBondContact O-N 3.31Å |
| 353 | P | 42.6 | Very low | 36 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 49% | 0.494 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -84.3 | 117.5 | 166 | -3.4 | 22.9 | 0 | 0 | 0 | 107.8 | L351 L355 W361 | L351-P353 WeakPolarHBondContact O-CD 2.91Å; P353-L355 PolarHBondContact O-N 3.36Å; P353-W361 HydrophobicContact CB-CH2 4.5Å; P353-W361 HydrophobicContact CB-CZ2 4.45Å |
| 354 | A | 31 | Very low | 35.6 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 126.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | R356 | A354-R356 VanDerWaalsContact C-N 3.29Å; A354-R356 PolarHBondContact O-N 3.32Å |
| 355 | L | 36.3 | Very low | 35.8 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 89% | 0.885 | 73% | 0.726 | S | S | * | * | | | trans | -68.4 | 88.6 | 171 | -92.7 | 85.9 | 0 | 0 | 0 | 109.7 | P353 | P353-L355 PolarHBondContact O-N 3.36Š|
| 356 | R | 34.4 | Very low | 35.6 | Very low | 229 Ų | 229 | 128.2 Ų | 128.2 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | | | trans | -138.1 | 118.7 | 158 | -73.8 | -163.6 | 176 | -138.8 | -1 | 111 | A354 | A354-R356 VanDerWaalsContact C-N 3.29Å; A354-R356 PolarHBondContact O-N 3.32Å |
| 357 | S | 37 | Very low | 35.7 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 57.5 | 92.2 | 151.4 | -174.1 | 0 | 0 | 0 | 0 | 118.8 | T359 | S357-T359 PolarHBondContact O-N 3.26Å; S357-T359 VanDerWaalsContact O-N 3.12Å |
| 358 | G | 41.8 | Very low | 35.9 | Very low | 87 Ų | 87 | 121.7 Ų | 121.7 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | | | | 70.7 | 20 | 128.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 359 | T | 37.7 | Very low | 36 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 59% | 0.589 | 70% | 0.699 | S | S | * | * | | | trans | -90.2 | 131.9 | 176.3 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | S357 W361 | S357-T359 PolarHBondContact O-N 3.26Å; S357-T359 VanDerWaalsContact O-N 3.12Å; T359-W361 PolarHBondContact O-NE1 3.31Å |
| 360 | S | 37.3 | Very low | 35.7 | Very low | 87 Ų | 87 | 120.3 Ų | 120.3 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | | | trans | -73.2 | 129.8 | 171.6 | 177.6 | 0 | 0 | 0 | 0 | 110 | | |
| 361 | W | 35.8 | Very low | 35.4 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | | | trans | -97.5 | 114.5 | 177.5 | -61.9 | 85.9 | 0 | 0 | 0 | 110.6 | P353 T359 | P353-W361 HydrophobicContact CB-CH2 4.5Å; P353-W361 HydrophobicContact CB-CZ2 4.45Å; T359-W361 PolarHBondContact O-NE1 3.31Å |
| 362 | T | 35.7 | Very low | 35.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 66% | 0.656 | 69% | 0.694 | S | S | * | * | | | trans | -96.8 | 109.5 | 168.9 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 363 | L | 36.7 | Very low | 35.4 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 57% | 0.571 | 70% | 0.696 | S | S | * | * | | | trans | -89.2 | 99.5 | 170.6 | -86.7 | 159.2 | 0 | 0 | 0 | 109.3 | L365 | L363-L365 HydrophobicContact CB-CD1 4.34Å; L363-L365 HydrophobicContact CD2-CD1 4.46Å; L363-L365 PolarHBondContact O-N 2.84Å |
| 364 | D | 30.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | | | trans | -78.4 | 104.9 | 168.1 | -104.2 | -38.3 | 0 | 0 | 0 | 109.6 | | |
| 365 | L | 36.2 | Very low | 35.4 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 40% | 0.403 | 72% | 0.716 | S | S | . | * | | | trans | -97.7 | 101.6 | 170.4 | -103 | 81.1 | 0 | 0 | 0 | 110.3 | L363 L367 | L363-L365 HydrophobicContact CB-CD1 4.34Å; L363-L365 HydrophobicContact CD2-CD1 4.46Å; L363-L365 PolarHBondContact O-N 2.84Å; L365-L367 PolarHBondContact O-N 2.92Å |
| 366 | T | 33.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | | | trans | -74.3 | 91.6 | 171 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | A368 | T366-A368 PolarHBondContact O-N 3.16Š|
| 367 | L | 35.2 | Very low | 35.2 | Very low | 74 Ų | 74 | 124 Ų | 124 | 39% | 0.387 | 72% | 0.72 | S | S | . | * | | | trans | -84.6 | 101.3 | -177.1 | -156.9 | 84.5 | 0 | 0 | 0 | 112.3 | L334 L365 V369 | L334-L367 HydrophobicContact CD2-CD1 4.21Å; L365-L367 PolarHBondContact O-N 2.92Å; L367-V369 HydrophobicContact CD2-CG2 3.77Å; L367-V369 HydrophobicContact CG-CG2 4.24Å; L367-V369 PolarHBondContact O-N 3.46Å |
| 368 | A | 32 | Very low | 34.9 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -82.4 | 90.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | T366 G370 | T366-A368 PolarHBondContact O-N 3.16Å; A368-G370 PolarHBondContact O-N 2.91Å |
| 369 | V | 35.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -78.6 | 87.2 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 111 | L367 R371 | L367-V369 HydrophobicContact CD2-CG2 3.77Å; L367-V369 HydrophobicContact CG-CG2 4.24Å; L367-V369 PolarHBondContact O-N 3.46Å; V369-R371 PolarHBondContact O-N 3.33Å |
| 370 | G | 30.3 | Very low | 34.4 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -69.5 | 106.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A368 G372 | A368-G370 PolarHBondContact O-N 2.91Å; G370-G372 PolarHBondContact O-N 2.94Å; G370-G372 VanDerWaalsContact O-N 3.11Å |
| 371 | R | 35.2 | Very low | 34.3 | Very low | 245 Ų | 245 | 131.9 Ų | 131.9 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -80.2 | 91 | 174.9 | -165.3 | -178.6 | -169.4 | -174.5 | 4.8 | 110.5 | V369 | V369-R371 PolarHBondContact O-N 3.33Š|
| 372 | G | 30.4 | Very low | 34.2 | Very low | 58 Ų | 58 | 129.4 Ų | 129.4 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | | | trans | -57.8 | 148.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | G370 | G370-G372 PolarHBondContact O-N 2.94Å; G370-G372 VanDerWaalsContact O-N 3.11Å |
| 373 | P | 38.1 | Very low | 34.1 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -76.6 | 133.7 | -178.5 | 31 | -33.7 | 0 | 0 | 0 | 111.4 | | |
| 374 | G | 41.2 | Very low | 33.9 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | 104.6 | 67.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 375 | L | 31.8 | Very low | 34.1 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | | | trans | -114.8 | 113.3 | 138.3 | -119.1 | 83.2 | 0 | 0 | 0 | 107.7 | | |
| 376 | K | 35.3 | Very low | 34 | Very low | 206 Ų | 206 | 136.8 Ų | 136.8 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | | | trans | -70.8 | 137.6 | 166.8 | -77.8 | -168.7 | 175.3 | -174.8 | 0 | 108 | G378 | K376-G378 PolarHBondContact O-N 3.09Š|
| 377 | R | 32.3 | Very low | 34 | Very low | 251 Ų | 251 | 137.7 Ų | 137.7 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | | | trans | -63.3 | 129.2 | 165.4 | -82.5 | 177.8 | -94.8 | -159.6 | -3.8 | 108.7 | | |
| 378 | G | 30.9 | Very low | 33.9 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 100% | 1.567 | 88% | 0.88 | S | S | * | * | | | trans | -115.2 | 0 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | K376 | K376-G378 PolarHBondContact O-N 3.09Š|