| 1 | M | 41.7 | Very low | 40.8 | Very low | 230 Ų | 230 | 173.8 Ų | 173.8 | 100% | 1.133 | 83% | 0.83 | S | S | * | * | | | | 0 | 108.9 | 0 | -72.3 | 165.5 | 80.3 | 0 | 0 | 108.1 | | |
| 2 | I | 38.4 | Very low | 41.4 | Very low | 141 Ų | 141 | 166.3 Ų | 166.3 | 72% | 0.723 | 81% | 0.809 | S | S | * | * | | | | 70.8 | 100.6 | 79.2 | -74.7 | 170 | 0 | 0 | 0 | 111.7 | | |
| 3 | T | 33.2 | Very low | 41.8 | Very low | 101 Ų | 101 | 170.1 Ų | 170.1 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | | | trans | 72.1 | 155.8 | 136.6 | 71.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 4 | R | 43.1 | Very low | 42.2 | Very low | 226 Ų | 226 | 164.4 Ų | 164.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | cis | -147.6 | 126.3 | 31.9 | -62.3 | 169.7 | -154.8 | -150 | 4.9 | 106.5 | | |
| 5 | K | 40.7 | Very low | 42.6 | Very low | 195 Ų | 195 | 169.3 Ų | 169.3 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | | 38 | 114.3 | 102.3 | -66.6 | -166 | 179.7 | -178.4 | 0 | 113.6 | | |
| 6 | R | 44.1 | Very low | 42.9 | Very low | 239 Ų | 239 | 166.4 Ų | 166.4 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | | -157.5 | 131.2 | 125.1 | -102.4 | 165.7 | -166.2 | -156.1 | 3.6 | 110.1 | | |
| 7 | S | 39.8 | Very low | 42.9 | Very low | 109 Ų | 109 | 163.5 Ų | 163.5 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | | | trans | -92.8 | 139.8 | -177.7 | -48.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 8 | Y | 46.7 | Very low | 42.8 | Very low | 224 Ų | 224 | 158.2 Ų | 158.2 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -140.5 | 126.4 | 149.7 | -82.5 | -75.4 | 0 | 0 | 0 | 111.9 | | |
| 9 | S | 36.8 | Very low | 43.1 | Very low | 110 Ų | 110 | 160.8 Ų | 160.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -91.9 | 130.4 | 171.1 | 143.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 10 | S | 44.3 | Very low | 42.8 | Very low | 114 Ų | 114 | 165 Ų | 165 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -165.5 | 89.5 | 155.3 | 32.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 11 | R | 40.1 | Very low | 42.8 | Very low | 223 Ų | 223 | 163.2 Ų | 163.2 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | -58.5 | 153.3 | 147.3 | 179.4 | 175.3 | -174.7 | 132.5 | -0.7 | 108.8 | | |
| 12 | S | 47.7 | Very low | 42.9 | Very low | 83 Ų | 83 | 158 Ų | 158 | 58% | 0.58 | 80% | 0.797 | S | S | * | * | | | trans | 103.9 | 139.9 | 167.8 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 13 | R | 47.2 | Very low | 43.3 | Very low | 216 Ų | 216 | 163.3 Ų | 163.3 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | | | cis | -177.2 | 152.4 | 5.3 | -118.6 | 170.5 | 175.1 | 136.2 | -11.6 | 105.5 | | |
| 14 | S | 47.3 | Very low | 43.6 | Very low | 90 Ų | 90 | 170.3 Ų | 170.3 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | | | trans | 60.8 | 127.3 | 135.4 | -51.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 15 | R | 47.7 | Very low | 43.6 | Very low | 238 Ų | 238 | 168.7 Ų | 168.7 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | | | | -177.9 | 121.3 | 106.1 | -91.4 | 152 | 175.1 | -167.2 | -2.7 | 107.5 | | |
| 16 | S | 47.8 | Very low | 43.5 | Very low | 124 Ų | 124 | 166.7 Ų | 166.7 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | | | | 62.4 | 109.1 | 83.9 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 17 | S | 42 | Very low | 43.1 | Very low | 117 Ų | 117 | 166.9 Ų | 166.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -130.9 | 127.7 | 174.2 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 18 | G | 42.8 | Very low | 43 | Very low | 67 Ų | 67 | 166.6 Ų | 166.6 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | | | trans | -69.5 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 19 | F | 47.5 | Very low | 42.7 | Very low | 209 Ų | 209 | 166.9 Ų | 166.9 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | -64.7 | 145.6 | -156 | -73.2 | -99.9 | 0 | 0 | 0 | 115.9 | T21 | F19-T21 PolarHBondContact O-N 3.15Š|
| 20 | Y | 38 | Very low | 42.7 | Very low | 243 Ų | 243 | 166 Ų | 166 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | | | trans | -41.4 | 114.6 | -175.6 | -108.9 | -108.6 | 0 | 0 | 0 | 114.7 | | |
| 21 | T | 43.1 | Very low | 42.4 | Very low | 128 Ų | 128 | 167.6 Ų | 167.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -134.4 | 147.8 | 162.2 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | F19 | F19-T21 PolarHBondContact O-N 3.15Š|
| 22 | P | 42.2 | Very low | 42.1 | Very low | 120 Ų | 120 | 165 Ų | 165 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | trans | -88.5 | 136.4 | -157.9 | 30.6 | -27.7 | 0 | 0 | 0 | 114.6 | R24 | P22-R24 PolarHBondContact O-N 3.45Š|
| 23 | R | 46.7 | Very low | 41.7 | Very low | 254 Ų | 254 | 173.1 Ų | 173.1 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | | | trans | 0.7 | 93.4 | 151.1 | -113.1 | 173.8 | 162.8 | 169.9 | -5.5 | 115.6 | | |
| 24 | R | 40.7 | Very low | 41 | Very low | 247 Ų | 247 | 166.2 Ų | 166.2 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | trans | -115.1 | 102.5 | 157.8 | -82.2 | -170.3 | 173.7 | -174.1 | -0.3 | 111.3 | P22 | P22-R24 PolarHBondContact O-N 3.45Š|
| 25 | K | 42.2 | Very low | 40.4 | Very low | 193 Ų | 193 | 170.1 Ų | 170.1 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | trans | 16 | 110.3 | 154.4 | -72.4 | 173.9 | 174.4 | 177.2 | 0 | 119.4 | R27 | K25-R27 PolarHBondContact O-N 2.99Š|
| 26 | N | 38.7 | Very low | 40 | Very low | 152 Ų | 152 | 168.7 Ų | 168.7 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | | 18.1 | 99.6 | 121.9 | -56.8 | -19.6 | 0 | 0 | 0 | 116.4 | | |
| 27 | R | 35.7 | Very low | 39.3 | Very low | 244 Ų | 244 | 167.9 Ų | 167.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -112 | 92.8 | 145 | -95.1 | -177.9 | 173.5 | 139 | -2.1 | 108.8 | K25 | K25-R27 PolarHBondContact O-N 2.99Š|
| 28 | S | 37.9 | Very low | 39.1 | Very low | 102 Ų | 102 | 167 Ų | 167 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | trans | -60.4 | 125.5 | 161 | -55.9 | 0 | 0 | 0 | 0 | 110 | | |
| 29 | R | 39.8 | Very low | 38.5 | Very low | 230 Ų | 230 | 168.6 Ų | 168.6 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | | | trans | -143.6 | 88 | 146.4 | -70.5 | -171.4 | 172 | 135.2 | -5 | 104.8 | | |
| 30 | S | 37.5 | Very low | 38.1 | Very low | 91 Ų | 91 | 165.7 Ų | 165.7 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | | 35.9 | 108.1 | 82.1 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 31 | N | 38.7 | Very low | 38 | Very low | 149 Ų | 149 | 161.6 Ų | 161.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -171.7 | 92 | 133 | -86.5 | -12.8 | 0 | 0 | 0 | 104.4 | | |
| 32 | E | 33.4 | Very low | 37.7 | Very low | 169 Ų | 169 | 165 Ų | 165 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | | 43.6 | 94.8 | 89 | -69.3 | -162.9 | 157.4 | 0 | 0 | 112.1 | | |
| 33 | R | 38.5 | Very low | 37.6 | Very low | 253 Ų | 253 | 169.6 Ų | 169.6 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | | | trans | -126.1 | 91.1 | 130.7 | -157.3 | 168 | -173.3 | -169.2 | 1.3 | 108.4 | | |
| 34 | S | 33.3 | Very low | 37 | Very low | 70 Ų | 70 | 164.4 Ų | 164.4 | 49% | 0.49 | 79% | 0.787 | S | S | . | * | | | trans | -58.8 | 171.7 | 162.3 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 35 | K | 34.4 | Very low | 36.8 | Very low | 173 Ų | 173 | 163.5 Ų | 163.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | 84.7 | 98.5 | 165.9 | -50.1 | 166 | -172.9 | -175.7 | 0 | 111.3 | | |
| 36 | F | 39.1 | Very low | 36.3 | Very low | 208 Ų | 208 | 162.7 Ų | 162.7 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | | | | -137.2 | 115.1 | 63.6 | -77.1 | -90.8 | 0 | 0 | 0 | 113.7 | | |
| 37 | S | 33.3 | Very low | 36.2 | Very low | 107 Ų | 107 | 167.4 Ų | 167.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -71.3 | 140.4 | 146.7 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 38 | S | 37.5 | Very low | 36.1 | Very low | 98 Ų | 98 | 159.8 Ų | 159.8 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | 168.8 | 102 | 136.3 | 54.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 39 | S | 30.7 | Very low | 35.9 | Very low | 100 Ų | 100 | 163.8 Ų | 163.8 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | | 57.9 | 102.1 | 89.8 | 73.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 40 | L | 38.2 | Very low | 35.7 | Very low | 149 Ų | 149 | 157.9 Ų | 157.9 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | | -175.7 | 139.8 | 122.7 | -125.2 | 71.8 | 0 | 0 | 0 | 112.1 | | |
| 41 | K | 36.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 162.2 Ų | 162.2 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | 77.9 | 72.4 | 155 | -70 | 177.3 | 175.1 | 178.8 | 0 | 117.6 | R43 | K41-R43 PolarHBondContact O-N 2.85Å; K41-R43 VanDerWaalsContact O-N 3.15Å |
| 42 | E | 35.7 | Very low | 35 | Very low | 199 Ų | 199 | 162.9 Ų | 162.9 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | | | | -15.1 | 101.3 | 109 | -151.6 | 155.6 | -149.2 | 0 | 0 | 112.7 | | |
| 43 | R | 40.1 | Very low | 35.2 | Very low | 217 Ų | 217 | 162.3 Ų | 162.3 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | | | trans | -124 | 102.5 | 163.2 | -100.9 | -172.4 | -76.1 | 162.6 | -5.5 | 107.7 | K41 | K41-R43 PolarHBondContact O-N 2.85Å; K41-R43 VanDerWaalsContact O-N 3.15Å |
| 44 | N | 34.9 | Very low | 35.1 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | trans | 24.1 | 110.5 | 145.9 | -82 | -36.9 | 0 | 0 | 0 | 116.5 | | |
| 45 | R | 35.9 | Very low | 35.4 | Very low | 228 Ų | 228 | 164.1 Ų | 164.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | | 48.2 | 124.1 | 75.9 | -72.6 | -169.2 | 170.1 | 173 | -0.5 | 113.3 | | |
| 46 | Q | 33 | Very low | 35.4 | Very low | 176 Ų | 176 | 161 Ų | 161 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | 87.1 | 92.9 | 160.9 | -60.2 | 179.2 | -17.1 | 0 | 0 | 117.9 | | |
| 47 | R | 36 | Very low | 35.6 | Very low | 251 Ų | 251 | 157.4 Ų | 157.4 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | | | | -146.1 | 83.1 | 126.6 | -113.6 | 177.9 | -175.4 | -160.5 | 1 | 109.3 | | |
| 48 | S | 33.7 | Very low | 35.7 | Very low | 85 Ų | 85 | 163.9 Ų | 163.9 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | | | trans | -62.9 | 164 | 149.8 | 29.9 | 0 | 0 | 0 | 0 | 110 | | |
| 49 | H | 32.2 | Very low | 35.3 | Very low | 186 Ų | 186 | 170.3 Ų | 170.3 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | 94.6 | 120.8 | -170.1 | -50.8 | -57.5 | 0 | 0 | 0 | 111.8 | | |
| 50 | S | 36.4 | Very low | 35.3 | Very low | 105 Ų | 105 | 170.7 Ų | 170.7 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | cis | -166.2 | 140.1 | 20.9 | 45 | 0 | 0 | 0 | 0 | 111.7 | | |
| 51 | K | 33.9 | Very low | 35.3 | Very low | 182 Ų | 182 | 171.5 Ų | 171.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | 57.9 | 95.9 | 138.7 | -67.8 | 176.6 | 177 | -180 | 0 | 118.5 | F53 | K51-F53 HydrophobicContact CB-CD2 4.29Å; K51-F53 HydrophobicContact CD-CE2 4.25Å; K51-F53 HydrophobicContact CG-CE2 4.38Å |
| 52 | N | 27.6 | Very low | 35.1 | Very low | 164 Ų | 164 | 168.6 Ų | 168.6 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -63.5 | 125.3 | 139.8 | -61.9 | -51.2 | 0 | 0 | 0 | 108.8 | | |
| 53 | F | 38.6 | Very low | 35.6 | Very low | 156 Ų | 156 | 165.2 Ų | 165.2 | 68% | 0.684 | 80% | 0.804 | S | S | * | * | | | trans | -133.7 | 115.2 | 152.2 | -91.6 | -77.8 | 0 | 0 | 0 | 107.5 | K51 | K51-F53 HydrophobicContact CB-CD2 4.29Å; K51-F53 HydrophobicContact CD-CE2 4.25Å; K51-F53 HydrophobicContact CG-CE2 4.38Å |
| 54 | D | 36.6 | Very low | 35.4 | Very low | 125 Ų | 125 | 162 Ų | 162 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | | | trans | 45.9 | 119.7 | 142.8 | -54.2 | -25.6 | 0 | 0 | 0 | 120 | | |
| 55 | Y | 39 | Very low | 35.3 | Very low | 236 Ų | 236 | 163.5 Ų | 163.5 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | | -155.5 | 82.2 | 123.3 | -86 | -70.4 | 0 | 0 | 0 | 108.8 | P57 | Y55-P57 WeakPolarHBondContact O-CD 3.49Š|
| 56 | S | 33.8 | Very low | 35.4 | Very low | 109 Ų | 109 | 163.6 Ų | 163.6 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | -74.6 | 124.7 | 154.5 | -80 | 0 | 0 | 0 | 0 | 108.3 | R58 | S56-R58 PolarHBondContact O-N 3.12Š|
| 57 | P | 44.1 | Very low | 35.5 | Very low | 132 Ų | 132 | 165.1 Ų | 165.1 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -66.9 | 100.7 | 170.5 | -19.6 | 33 | 0 | 0 | 0 | 109.9 | Y55 R59 | Y55-P57 WeakPolarHBondContact O-CD 3.49Å; P57-R59 PolarHBondContact O-N 3.1Å |
| 58 | R | 35.5 | Very low | 35.7 | Very low | 242 Ų | 242 | 157.1 Ų | 157.1 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | | | trans | -64.9 | 128.8 | 170.1 | -84.7 | -176 | 159.9 | -146.8 | -2.4 | 109.9 | S56 | S56-R58 PolarHBondContact O-N 3.12Š|
| 59 | R | 29 | Very low | 36.1 | Very low | 234 Ų | 234 | 163 Ų | 163 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -58.8 | 149.4 | 161.7 | -96.1 | 176.7 | 162.3 | -157.1 | -3.4 | 110.6 | P57 | P57-R59 PolarHBondContact O-N 3.1Š|
| 60 | S | 31.1 | Very low | 36.6 | Very low | 108 Ų | 108 | 162.3 Ų | 162.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 61.6 | 118.6 | 168.7 | 62.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 61 | L | 36.4 | Very low | 36.6 | Very low | 166 Ų | 166 | 162.9 Ų | 162.9 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | | -166.4 | 150.2 | 102.5 | -87.2 | 163.6 | 0 | 0 | 0 | 108.2 | | |
| 62 | S | 32.7 | Very low | 36.7 | Very low | 94 Ų | 94 | 165.6 Ų | 165.6 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | | | trans | -48.8 | 150.6 | -173.6 | 40.2 | 0 | 0 | 0 | 0 | 114.9 | I64 | S62-I64 PolarHBondContact O-N 3.47Š|
| 63 | P | 46.4 | Very low | 37.3 | Very low | 128 Ų | 128 | 165.7 Ų | 165.7 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -64 | 108.3 | 167.2 | -16.3 | 30.4 | 0 | 0 | 0 | 109.6 | E65 | P63-E65 PolarHBondContact O-N 2.9Š|
| 64 | I | 36.7 | Very low | 37.1 | Very low | 149 Ų | 149 | 170 Ų | 170 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | | | trans | -49.4 | 128.7 | 161.2 | -96 | 139.8 | 0 | 0 | 0 | 109.3 | S62 R66 | S62-I64 PolarHBondContact O-N 3.47Å; I64-R66 PolarHBondContact O-N 2.93Å |
| 65 | E | 33.2 | Very low | 37.4 | Very low | 177 Ų | 177 | 173.2 Ų | 173.2 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | | | trans | -54.2 | 96.3 | 179.6 | -61.8 | 176.9 | 167.4 | 0 | 0 | 111.2 | P63 K67 | P63-E65 PolarHBondContact O-N 2.9Å; E65-K67 PolarHBondContact O-N 3.32Å |
| 66 | R | 37.9 | Very low | 37.3 | Very low | 231 Ų | 231 | 167.3 Ų | 167.3 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -85.3 | 103 | 161 | -67.9 | -171.1 | -165.7 | 151.5 | 4 | 107.9 | I64 S68 | I64-R66 PolarHBondContact O-N 2.93Å; R66-S68 PolarHBondContact O-N 3.29Å |
| 67 | K | 33.5 | Very low | 37.4 | Very low | 207 Ų | 207 | 170.3 Ų | 170.3 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | | | trans | -49.4 | 100.2 | 167.2 | -64.3 | 175.3 | 178.9 | 178.7 | 0 | 109.2 | E65 | E65-K67 PolarHBondContact O-N 3.32Š|
| 68 | S | 41.2 | Very low | 37.1 | Very low | 83 Ų | 83 | 171.1 Ų | 171.1 | 58% | 0.58 | 82% | 0.817 | S | S | * | * | | | trans | -123.3 | 112.9 | 175.3 | 159.2 | 0 | 0 | 0 | 0 | 107.4 | R66 F70 | R66-S68 PolarHBondContact O-N 3.29Å; S68-F70 PolarHBondContact O-N 2.95Å |
| 69 | K | 41.7 | Very low | 36.8 | Very low | 209 Ų | 209 | 167.6 Ų | 167.6 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -71.9 | 44.8 | -174 | -65.9 | -173.7 | 176 | -178.1 | 0 | 114.4 | | |
| 70 | F | 42.5 | Very low | 37.1 | Very low | 171 Ų | 171 | 161.2 Ų | 161.2 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | | | trans | -120.2 | 103 | 171 | -65.9 | -72.4 | 0 | 0 | 0 | 108.8 | S68 R72 | S68-F70 PolarHBondContact O-N 2.95Å; F70-R72 VanDerWaalsContact C-N 3.32Å; F70-R72 PolarHBondContact O-N 2.97Å |
| 71 | S | 36.4 | Very low | 37.2 | Very low | 118 Ų | 118 | 160.5 Ų | 160.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -58.9 | 92.9 | 170.5 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | L73 | S71-L73 PolarHBondContact O-N 2.95Š|
| 72 | R | 36.4 | Very low | 37.2 | Very low | 239 Ų | 239 | 158.6 Ų | 158.6 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -63.7 | 105.2 | 166.5 | -81.7 | -174.7 | 167.5 | 115.6 | -1 | 107.5 | F70 R74 | F70-R72 VanDerWaalsContact C-N 3.32Å; F70-R72 PolarHBondContact O-N 2.97Å; R72-R74 PolarHBondContact O-N 3.48Å |
| 73 | L | 40 | Very low | 37.1 | Very low | 165 Ų | 165 | 160.5 Ų | 160.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -43.3 | 118.5 | 172.3 | -68.6 | 161.2 | 0 | 0 | 0 | 109.8 | S71 K75 | S71-L73 PolarHBondContact O-N 2.95Å; L73-K75 PolarHBondContact O-N 3.02Å |
| 74 | R | 34.9 | Very low | 36.7 | Very low | 248 Ų | 248 | 159.7 Ų | 159.7 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 122.4 | 174.9 | -112.3 | -178.9 | 174.6 | 161.4 | -2.9 | 108.3 | R72 | R72-R74 PolarHBondContact O-N 3.48Š|
| 75 | K | 42.3 | Very low | 36.7 | Very low | 192 Ų | 192 | 160.2 Ų | 160.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65 | 131.5 | 167.5 | -67 | 179.6 | 178 | -179.7 | 0 | 108 | L73 E77 | L73-K75 PolarHBondContact O-N 3.02Å; K75-E77 PolarHBondContact O-N 2.85Å |
| 76 | P | 38.3 | Very low | 36.8 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129 | 178.4 | 25.7 | -31.6 | 0 | 0 | 0 | 109.8 | I78 | P76-I78 PolarHBondContact O-N 3.2Š|
| 77 | E | 35.1 | Very low | 36.5 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -74.4 | 86.4 | 174.8 | -171.5 | 172 | -161.9 | 0 | 0 | 108.1 | K75 Q79 | K75-E77 PolarHBondContact O-N 2.85Å; E77-Q79 PolarHBondContact O-N 3.28Å |
| 78 | I | 37.2 | Very low | 36.6 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -71.5 | 99.6 | 173.2 | -59.3 | 172.3 | 0 | 0 | 0 | 106.8 | P76 S80 | P76-I78 PolarHBondContact O-N 3.2Å; I78-S80 VanDerWaalsContact C-N 3.34Å; I78-S80 PolarHBondContact O-N 2.82Å |
| 79 | Q | 29.8 | Very low | 36 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -65.2 | 90.5 | 171 | -66 | 177.2 | -0.3 | 0 | 0 | 108.6 | E77 S81 | E77-Q79 PolarHBondContact O-N 3.28Å; Q79-S81 PolarHBondContact O-N 3.27Å; Q79-S81 VanDerWaalsContact O-N 3.09Å |
| 80 | S | 34.7 | Very low | 35.5 | Very low | 101 Ų | 101 | 152.8 Ų | 152.8 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -77.8 | 91.4 | 168.5 | 61.7 | 0 | 0 | 0 | 0 | 108.2 | I78 V82 | I78-S80 VanDerWaalsContact C-N 3.34Å; I78-S80 PolarHBondContact O-N 2.82Å; S80-V82 PolarHBondContact O-N 2.92Å; S80-V82 VanDerWaalsContact O-N 3.09Å |
| 81 | S | 34.5 | Very low | 35.1 | Very low | 92 Ų | 92 | 153.8 Ų | 153.8 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | trans | -60.1 | 108.3 | 165.6 | 52.9 | 0 | 0 | 0 | 0 | 108.4 | Q79 N83 | Q79-S81 PolarHBondContact O-N 3.27Å; Q79-S81 VanDerWaalsContact O-N 3.09Å; S81-N83 PolarHBondContact O-N 3.38Å |
| 82 | V | 34.8 | Very low | 34.7 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -71.2 | 96.1 | 169 | 178.2 | 0 | 0 | 0 | 0 | 106.1 | S80 P84 | S80-V82 PolarHBondContact O-N 2.92Å; S80-V82 VanDerWaalsContact O-N 3.09Å; V82-P84 VanDerWaalsContact O-CD 3.23Å; V82-P84 WeakPolarHBondContact O-CD 3.49Å |
| 83 | N | 31.7 | Very low | 34.7 | Very low | 133 Ų | 133 | 147 Ų | 147 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | -74.9 | 112.7 | 165.4 | -71.8 | -19.8 | 0 | 0 | 0 | 106.9 | S81 I85 | S81-N83 PolarHBondContact O-N 3.38Å; N83-I85 PolarHBondContact O-N 2.95Å |
| 84 | P | 37 | Very low | 34.2 | Very low | 111 Ų | 111 | 150.5 Ų | 150.5 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 123 | 177.7 | 28 | -32.3 | 0 | 0 | 0 | 109.1 | V82 | V82-P84 VanDerWaalsContact O-CD 3.23Å; V82-P84 WeakPolarHBondContact O-CD 3.49Å |
| 85 | I | 38 | Very low | 34.2 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118.4 | 167.6 | -62.9 | 168 | 0 | 0 | 0 | 106 | N83 | N83-I85 PolarHBondContact O-N 2.95Š|
| 86 | T | 34.2 | Very low | 33.5 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.3 | -177.4 | 40.4 | 0 | 0 | 0 | 0 | 112.3 | F88 | T86-F88 PolarHBondContact O-N 3.38Å; T86-F88 VanDerWaalsContact O-N 3.15Å |
| 87 | D | 31.9 | Very low | 33.3 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -63.7 | 102.5 | 171.1 | -66.8 | -46.7 | 0 | 0 | 0 | 110.7 | Q89 | D87-Q89 PolarHBondContact O-N 3.02Š|
| 88 | F | 36.7 | Very low | 33.2 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -77.3 | 74.3 | 163.9 | -78.5 | -85.2 | 0 | 0 | 0 | 109.3 | T86 | T86-F88 PolarHBondContact O-N 3.38Å; T86-F88 VanDerWaalsContact O-N 3.15Å |
| 89 | Q | 28.9 | Very low | 33.3 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -140.7 | 59 | 176.3 | -75.8 | -86.5 | -30.2 | 0 | 0 | 110.4 | D87 | D87-Q89 PolarHBondContact O-N 3.02Š|
| 90 | T | 30.8 | Very low | 33.6 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 171.7 | 109.2 | 159.7 | 40.8 | 0 | 0 | 0 | 0 | 104.1 | | |
| 91 | E | 33.9 | Very low | 34.3 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | | -156.8 | 143.4 | 73.3 | -77.7 | 175.6 | 173.3 | 0 | 0 | 109.1 | | |
| 92 | G | 28.3 | Very low | 35.4 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -73.7 | 139.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 93 | V | 35.5 | Very low | 36.4 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -142.4 | 125.5 | 136.4 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 94 | R | 30.6 | Very low | 38.2 | Very low | 239 Ų | 239 | 139.5 Ų | 139.5 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -77 | 122.2 | 177 | -63.5 | 172.6 | 171.6 | -144.6 | -1 | 109 | | |
| 95 | T | 33.4 | Very low | 39.7 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -165.1 | 132.2 | 142.9 | 36.9 | 0 | 0 | 0 | 0 | 110.2 | A97 | T95-A97 VanDerWaalsContact C-N 3.33Å; T95-A97 PolarHBondContact O-N 3.37Å |
| 96 | T | 29.3 | Very low | 41.2 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 93% | 0.933 | 74% | 0.742 | S | S | * | * | | | trans | -67.8 | 86.3 | 166.8 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 97 | A | 33.9 | Very low | 42.9 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | | | trans | -99.2 | 109.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | T95 D99 | T95-A97 VanDerWaalsContact C-N 3.33Å; T95-A97 PolarHBondContact O-N 3.37Å; A97-D99 PolarHBondContact O-N 3.23Å |
| 98 | R | 31.4 | Very low | 44.7 | Very low | 242 Ų | 242 | 132 Ų | 132 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | | | trans | -65 | 78.3 | 174.4 | -167.8 | -173.9 | -167.9 | -177.3 | 3.3 | 107 | S100 | R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 2.92Å |
| 99 | D | 39.3 | Very low | 46.2 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 65% | 0.652 | 70% | 0.704 | S | S | * | * | | | trans | -61.9 | 102.5 | 167.3 | -77.7 | -18.9 | 0 | 0 | 0 | 105.7 | A97 H101 | A97-D99 PolarHBondContact O-N 3.23Å; D99-H101 PolarHBondContact O-N 3.35Å |
| 100 | S | 37.9 | Very low | 47.7 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | | | trans | -64.1 | 80.1 | 173.7 | 45.1 | 0 | 0 | 0 | 0 | 107.1 | R98 S102 | R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 2.92Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 3.07Å |
| 101 | H | 49.4 | Very low | 49.2 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 75% | 0.745 | 67% | 0.669 | S | S | * | * | | | trans | -60.5 | 104.6 | 158.6 | -61.8 | -48.6 | 0 | 0 | 0 | 105.3 | D99 | D99-H101 PolarHBondContact O-N 3.35Š|
| 102 | S | 56.8 | Low | 50.6 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -47 | 139 | 167.8 | 39.5 | 0 | 0 | 0 | 0 | 108.3 | S100 I104 | S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 3.07Å; S102-I104 PolarHBondContact O-N 3.02Å |
| 103 | P | 54.7 | Low | 52 | Low | 122 Ų | 122 | 122.2 Ų | 122.2 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 116.1 | -174.7 | 21.8 | -32.6 | 0 | 0 | 0 | 109.3 | S105 | P103-S105 PolarHBondContact O-N 3.24Š|
| 104 | I | 70 | Confident | 52.9 | Low | 58 Ų | 58 | 118.7 Ų | 118.7 | 30% | 0.297 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 125.5 | 179.1 | -61.4 | 167.2 | 0 | 0 | 0 | 108.1 | S102 E108 R109 | S102-I104 PolarHBondContact O-N 3.02Å; I104-E108 HydrophobicContact CG2-CB 3.66Å; I104-E108 HydrophobicContact CG2-CG 3.8Å; I104-R109 HydrophobicContact CB-CG 4.27Å; I104-R109 HydrophobicContact CG2-CG 3.85Å; I104-R109 PolarHBondContact O-NE 3.3Å; I104-R109 VanDerWaalsContact O-NE 3.09Å; I104-R109 PolarHBondContact O-NH2 3.26Å; I104-R109 VanDerWaalsContact O-NH2 3.08Å |
| 105 | S | 68.2 | Low | 53.6 | Low | 60 Ų | 60 | 113.5 Ų | 113.5 | 42% | 0.42 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 150.8 | -179.7 | 72.2 | 0 | 0 | 0 | 0 | 110.6 | P103 T107 E108 R109 | P103-S105 PolarHBondContact O-N 3.24Å; S105-T107 PolarHBondContact O-N 2.82Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 VanDerWaalsContact OG-CB 3.27Å; S105-E108 WeakPolarHBondContact OG-CB 3.43Å; S105-E108 PolarHBondContact OG-N 3.44Å; S105-E108 VanDerWaalsContact OG-N 3.09Å; S105-R109 PolarHBondContact O-N 3.32Å |
| 106 | L | 70.1 | Confident | 54.6 | Low | 130 Ų | 130 | 111.1 Ų | 111.1 | 68% | 0.681 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56.4 | -39 | 177.6 | -75.8 | 170.5 | 0 | 0 | 0 | 111.4 | R109 F110 | L106-R109 PolarHBondContact O-N 2.85Å; L106-F110 WeakPolarHBondContact O-CB 3.48Å; L106-F110 PolarHBondContact O-N 2.93Å |
| 107 | T | 70.8 | Confident | 55 | Low | 105 Ų | 105 | 105.6 Ų | 105.6 | 64% | 0.644 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.2 | -46.2 | 175.8 | -41.5 | 0 | 0 | 0 | 0 | 111.5 | S105 F110 T111 | S105-T107 PolarHBondContact O-N 2.82Å; T107-F110 PolarHBondContact O-N 2.92Å; T107-T111 WeakPolarHBondContact O-CG2 3.46Å; T107-T111 PolarHBondContact O-N 2.87Å; T107-T111 PolarHBondContact O-OG1 3.24Å |
| 108 | E | 69.5 | Low | 55.3 | Low | 75 Ų | 75 | 105.5 Ų | 105.5 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71 | -33.5 | 179.2 | -169.4 | -173.7 | 169.4 | 0 | 0 | 112.4 | I104 S105 F110 T111 R112 | I104-E108 HydrophobicContact CG2-CB 3.66Å; I104-E108 HydrophobicContact CG2-CG 3.8Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 VanDerWaalsContact OG-CB 3.27Å; S105-E108 WeakPolarHBondContact OG-CB 3.43Å; S105-E108 PolarHBondContact OG-N 3.44Å; S105-E108 VanDerWaalsContact OG-N 3.09Å; E108-F110 VanDerWaalsContact C-N 3.35Å; E108-T111 WeakPolarHBondContact CA-OG1 3.38Å; E108-T111 PolarHBondContact O-OG1 3.47Å; E108-T111 VanDerWaalsContact O-OG1 3.08Å; E108-R112 HydrophobicContact CG-CG 4.45Å; E108-R112 VanDerWaalsContact O-CB 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 WeakPolarHBondContact O-CG 3.27Å; E108-R112 PolarHBondContact O-N 3.29Å; E108-R112 IonicContact OE1-CZ 3.12Å; E108-R112 VanDerWaalsContact OE1-CZ 3.28Å; E108-R112 IonicContact OE1-NE 3.26Å; E108-R112 PolarHBondContact OE1-NE 2.84Å; E108-R112 VanDerWaalsContact OE1-NE 3.12Å; E108-R112 IonicContact OE1-NH2 3.64Å; E108-R112 PolarHBondContact OE1-NH2 2.77Å |
| 109 | R | 68.6 | Low | 55.7 | Low | 136 Ų | 136 | 98.3 Ų | 98.3 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -43.8 | 169.8 | -92.2 | -179.8 | -78.5 | 176.9 | -5.1 | 111.5 | I104 S105 L106 L113 | I104-R109 HydrophobicContact CB-CG 4.27Å; I104-R109 HydrophobicContact CG2-CG 3.85Å; I104-R109 PolarHBondContact O-NE 3.3Å; I104-R109 VanDerWaalsContact O-NE 3.09Å; I104-R109 PolarHBondContact O-NH2 3.26Å; I104-R109 VanDerWaalsContact O-NH2 3.08Å; S105-R109 PolarHBondContact O-N 3.32Å; L106-R109 PolarHBondContact O-N 2.85Å; R109-L113 WeakPolarHBondContact O-CB 3.44Å; R109-L113 PolarHBondContact O-N 3.03Å |
| 110 | F | 59 | Low | 55.5 | Low | 122 Ų | 122 | 97.2 Ų | 97.2 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.4 | -48.6 | 177.7 | -176.2 | -98.8 | 0 | 0 | 0 | 111.1 | L106 T107 E108 R112 L113 T114 | L106-F110 WeakPolarHBondContact O-CB 3.48Å; L106-F110 PolarHBondContact O-N 2.93Å; T107-F110 PolarHBondContact O-N 2.92Å; E108-F110 VanDerWaalsContact C-N 3.35Å; F110-R112 PolarHBondContact O-N 2.97Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.04Å; F110-L113 VanDerWaalsContact O-N 3.1Å; F110-T114 HydrophobicContact CD1-CG2 4.15Å; F110-T114 HydrophobicContact CE1-CG2 3.77Å; F110-T114 HydrophobicContact CE2-CG2 4.28Å; F110-T114 HydrophobicContact CZ-CG2 3.85Å; F110-T114 WeakPolarHBondContact O-CG2 3.43Å; F110-T114 PolarHBondContact O-N 3.4Å; F110-T114 PolarHBondContact O-OG1 3.36Å |
| 111 | T | 62.4 | Low | 55.2 | Low | 55 Ų | 55 | 100.7 Ų | 100.7 | 34% | 0.337 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.5 | -38 | 177.8 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | T107 E108 L113 T114 N115 | T107-T111 WeakPolarHBondContact O-CG2 3.46Å; T107-T111 PolarHBondContact O-N 2.87Å; T107-T111 PolarHBondContact O-OG1 3.24Å; E108-T111 WeakPolarHBondContact CA-OG1 3.38Å; E108-T111 PolarHBondContact O-OG1 3.47Å; E108-T111 VanDerWaalsContact O-OG1 3.08Å; T111-L113 VanDerWaalsContact C-N 3.35Å; T111-T114 WeakPolarHBondContact CA-OG1 3.48Å; T111-T114 PolarHBondContact O-N 2.84Å; T111-T114 PolarHBondContact O-OG1 3.04Å; T111-T114 VanDerWaalsContact O-OG1 3.05Å; T111-N115 WeakPolarHBondContact O-CA 3.22Å; T111-N115 WeakPolarHBondContact O-CB 3.4Å; T111-N115 PolarHBondContact O-N 3.25Å; T111-N115 PolarHBondContact O-ND2 2.74Å; T111-N115 PolarHBondContact O-OD1 2.91Å |
| 112 | R | 62.7 | Low | 54.5 | Low | 136 Ų | 136 | 100.5 Ų | 100.5 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -40.5 | 171.6 | -74.3 | 178.2 | -174.6 | -150.8 | 5.1 | 111.3 | E108 F110 S116 | E108-R112 HydrophobicContact CG-CG 4.45Å; E108-R112 VanDerWaalsContact O-CB 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 WeakPolarHBondContact O-CG 3.27Å; E108-R112 PolarHBondContact O-N 3.29Å; E108-R112 IonicContact OE1-CZ 3.12Å; E108-R112 VanDerWaalsContact OE1-CZ 3.28Å; E108-R112 IonicContact OE1-NE 3.26Å; E108-R112 PolarHBondContact OE1-NE 2.84Å; E108-R112 VanDerWaalsContact OE1-NE 3.12Å; E108-R112 IonicContact OE1-NH2 3.64Å; E108-R112 PolarHBondContact OE1-NH2 2.77Å; F110-R112 PolarHBondContact O-N 2.97Å; R112-S116 WeakPolarHBondContact O-CA 3.37Å; R112-S116 WeakPolarHBondContact O-CB 3.4Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.19Å |
| 113 | L | 59.7 | Low | 53.5 | Low | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.9 | -41.7 | 177.5 | -164.6 | 83.7 | 0 | 0 | 0 | 111.7 | R109 F110 T111 S116 T118 | R109-L113 WeakPolarHBondContact O-CB 3.44Å; R109-L113 PolarHBondContact O-N 3.03Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.04Å; F110-L113 VanDerWaalsContact O-N 3.1Å; T111-L113 VanDerWaalsContact C-N 3.35Å; L113-S116 PolarHBondContact O-OG 3.17Å; L113-T118 PolarHBondContact O-OG1 3.03Å |
| 114 | T | 53.3 | Low | 52.7 | Low | 64 Ų | 64 | 106.8 Ų | 106.8 | 39% | 0.393 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.7 | -43.9 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | F110 T111 G117 | F110-T114 HydrophobicContact CD1-CG2 4.15Å; F110-T114 HydrophobicContact CE1-CG2 3.77Å; F110-T114 HydrophobicContact CE2-CG2 4.28Å; F110-T114 HydrophobicContact CZ-CG2 3.85Å; F110-T114 WeakPolarHBondContact O-CG2 3.43Å; F110-T114 PolarHBondContact O-N 3.4Å; F110-T114 PolarHBondContact O-OG1 3.36Å; T111-T114 WeakPolarHBondContact CA-OG1 3.48Å; T111-T114 PolarHBondContact O-N 2.84Å; T111-T114 PolarHBondContact O-OG1 3.04Å; T111-T114 VanDerWaalsContact O-OG1 3.05Å; T114-G117 PolarHBondContact O-N 3.3Å |
| 115 | N | 46.1 | Very low | 51 | Low | 131 Ų | 131 | 114 Ų | 114 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -78.4 | -28.4 | -176 | -62.8 | -11.4 | 0 | 0 | 0 | 112.7 | T111 G117 | T111-N115 WeakPolarHBondContact O-CA 3.22Å; T111-N115 WeakPolarHBondContact O-CB 3.4Å; T111-N115 PolarHBondContact O-N 3.25Å; T111-N115 PolarHBondContact O-ND2 2.74Å; T111-N115 PolarHBondContact O-OD1 2.91Å; N115-G117 PolarHBondContact O-N 2.96Å |
| 116 | S | 54.5 | Low | 49.6 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | 4.3 | 173 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | R112 L113 T118 | R112-S116 WeakPolarHBondContact O-CA 3.37Å; R112-S116 WeakPolarHBondContact O-CB 3.4Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.19Å; L113-S116 PolarHBondContact O-OG 3.17Å; S116-T118 PolarHBondContact O-N 2.75Å; S116-T118 VanDerWaalsContact O-N 3.08Å |
| 117 | G | 36.5 | Very low | 48.2 | Very low | 35 Ų | 35 | 117 Ų | 117 | 36% | 0.361 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 64.4 | 23 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T114 N115 A119 V120 | T114-G117 PolarHBondContact O-N 3.3Å; N115-G117 PolarHBondContact O-N 2.96Å; G117-A119 PolarHBondContact O-N 2.95Å; G117-V120 WeakPolarHBondContact O-CB 3.5Å; G117-V120 WeakPolarHBondContact O-CG2 3.49Å; G117-V120 PolarHBondContact O-N 2.88Å |
| 118 | T | 40.1 | Very low | 46.9 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 44% | 0.436 | 59% | 0.593 | S | S | . | * | | | trans | -67.9 | 0.9 | 168.8 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | L113 S116 V120 | L113-T118 PolarHBondContact O-OG1 3.03Å; S116-T118 PolarHBondContact O-N 2.75Å; S116-T118 VanDerWaalsContact O-N 3.08Å; T118-V120 PolarHBondContact O-N 2.86Å; T118-V120 VanDerWaalsContact O-N 3.16Å |
| 119 | A | 40.2 | Very low | 45.7 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | | | trans | -77.1 | 47.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G117 | G117-A119 PolarHBondContact O-N 2.95Š|
| 120 | V | 34.4 | Very low | 44.6 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | | | trans | -141.8 | 117.6 | 179.5 | 178 | 0 | 0 | 0 | 0 | 114.1 | G117 T118 | G117-V120 WeakPolarHBondContact O-CB 3.5Å; G117-V120 WeakPolarHBondContact O-CG2 3.49Å; G117-V120 PolarHBondContact O-N 2.88Å; T118-V120 PolarHBondContact O-N 2.86Å; T118-V120 VanDerWaalsContact O-N 3.16Å |
| 121 | Y | 33.1 | Very low | 44 | Very low | 183 Ų | 183 | 125.3 Ų | 125.3 | 72% | 0.718 | 63% | 0.629 | S | S | * | * | | | trans | 79.1 | 96.6 | 163.5 | -71.2 | -61.9 | 0 | 0 | 0 | 120.2 | K123 | Y121-K123 PolarHBondContact O-N 2.65Š|
| 122 | N | 34.6 | Very low | 43.2 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | | | trans | -43.5 | 38.5 | 137.4 | -135.8 | -12.7 | 0 | 0 | 0 | 115.3 | | |
| 123 | K | 34.7 | Very low | 42.4 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | | | trans | -94.1 | 100.7 | 161.2 | -77.1 | -175.5 | -179.5 | 175.5 | 0 | 106.2 | Y121 R125 | Y121-K123 PolarHBondContact O-N 2.65Å; K123-R125 PolarHBondContact O-N 2.87Å |
| 124 | R | 38 | Very low | 41.4 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | | | trans | -48.7 | 76.2 | 162 | -58.5 | 176.6 | -173 | -153.9 | 0.7 | 109.8 | Y126 | R124-Y126 PolarHBondContact O-N 3.19Š|
| 125 | R | 35.3 | Very low | 40.9 | Very low | 210 Ų | 210 | 137.8 Ų | 137.8 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | | | trans | -79.3 | 110.5 | 152.7 | -69.4 | -160.6 | -178.7 | -134.2 | 4.1 | 103.6 | K123 G127 | K123-R125 PolarHBondContact O-N 2.87Å; R125-G127 PolarHBondContact O-N 3.47Å |
| 126 | Y | 38.9 | Very low | 40.8 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 82% | 0.82 | 68% | 0.676 | S | S | * | * | | | trans | -59.8 | 74.1 | 164.5 | -62.3 | -88.7 | 0 | 0 | 0 | 107.6 | R124 R128 | R124-Y126 PolarHBondContact O-N 3.19Å; Y126-R128 PolarHBondContact O-N 3.32Å |
| 127 | G | 39.2 | Very low | 40.2 | Very low | 44 Ų | 44 | 137.1 Ų | 137.1 | 45% | 0.454 | 68% | 0.675 | S | S | . | * | | | trans | -61.8 | 128 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106 | R125 F129 | R125-G127 PolarHBondContact O-N 3.47Å; G127-F129 PolarHBondContact O-N 3.27Å |
| 128 | R | 43.9 | Very low | 40.5 | Very low | 221 Ų | 221 | 139.6 Ų | 139.6 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | | | trans | -57.1 | 140 | -175.5 | -67.3 | 177.4 | -177.5 | -113.3 | 2.6 | 108.6 | Y126 G130 | Y126-R128 PolarHBondContact O-N 3.32Å; R128-G130 PolarHBondContact O-N 3.03Å |
| 129 | F | 44.8 | Very low | 40.8 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 100% | 1 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | 110 | 170.6 | -82.3 | -90.3 | 0 | 0 | 0 | 108.7 | G127 | G127-F129 PolarHBondContact O-N 3.27Š|
| 130 | G | 45.2 | Very low | 41.2 | Very low | 58 Ų | 58 | 142.3 Ų | 142.3 | 60% | 0.598 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.4 | -19.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R128 N132 | R128-G130 PolarHBondContact O-N 3.03Å; G130-N132 VanDerWaalsContact C-N 3.3Å; G130-N132 PolarHBondContact O-N 2.86Å |
| 131 | D | 45.8 | Very low | 41.7 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 56% | 0.556 | 66% | 0.664 | S | S | * | * | | | trans | -77.1 | 81.1 | 175.3 | -67.4 | -18.3 | 0 | 0 | 0 | 110.4 | H133 R134 | D131-H133 PolarHBondContact O-N 3.47Å; D131-R134 PolarHBondContact O-N 3.47Å; D131-R134 VanDerWaalsContact O-N 3.08Å |
| 132 | N | 47.2 | Very low | 42.2 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -4.8 | 174.6 | -67.5 | -22.2 | 0 | 0 | 0 | 113.6 | G130 R134 | G130-N132 VanDerWaalsContact C-N 3.3Å; G130-N132 PolarHBondContact O-N 2.86Å; N132-R134 VanDerWaalsContact C-N 3.33Å |
| 133 | H | 44.1 | Very low | 42.5 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 85% | 0.852 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -5.4 | 174.1 | -60.6 | -58.2 | 0 | 0 | 0 | 113.8 | D131 | D131-H133 PolarHBondContact O-N 3.47Š|
| 134 | R | 39.6 | Very low | 43.3 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 59% | 0.589 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -104.2 | 73.7 | 166.6 | -94.3 | -179.2 | 161.7 | -154.4 | -7.5 | 109.1 | D131 N132 | D131-R134 PolarHBondContact O-N 3.47Å; D131-R134 VanDerWaalsContact O-N 3.08Å; N132-R134 VanDerWaalsContact C-N 3.33Å |
| 135 | L | 43 | Very low | 44.3 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 129.2 | 162.9 | -70.3 | 167.6 | 0 | 0 | 0 | 107.8 | H137 | L135-H137 PolarHBondContact O-N 3.42Š|
| 136 | P | 43 | Very low | 45.8 | Very low | 84 Ų | 84 | 128 Ų | 128 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 117.4 | 180 | 22.7 | -31.6 | 0 | 0 | 0 | 108.5 | L138 I158 | P136-L138 PolarHBondContact O-N 2.97Å; P136-L138 VanDerWaalsContact O-N 3.13Å; P136-I158 HydrophobicContact CB-CG1 4.46Å |
| 137 | H | 42.6 | Very low | 47.3 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 51% | 0.514 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 119 | -179.3 | -66.6 | -85.4 | 0 | 0 | 0 | 109.7 | L135 I139 | L135-H137 PolarHBondContact O-N 3.42Å; H137-I139 PolarHBondContact O-N 3.29Å |
| 138 | L | 42.9 | Very low | 48.7 | Very low | 88 Ų | 88 | 124.3 Ų | 124.3 | 46% | 0.461 | 64% | 0.638 | S | S | . | * | | | trans | -59.4 | 103.6 | 167.1 | 179.8 | 87 | 0 | 0 | 0 | 108.3 | P136 L140 I160 | P136-L138 PolarHBondContact O-N 2.97Å; P136-L138 VanDerWaalsContact O-N 3.13Å; L138-L140 HydrophobicContact CD1-CD2 4.17Å; L138-L140 HydrophobicContact CD1-CG 4.41Å; L138-L140 HydrophobicContact CD2-CD1 3.62Å; L138-L140 HydrophobicContact CD2-CD2 4.03Å; L138-L140 HydrophobicContact CD2-CG 3.5Å; L138-L140 HydrophobicContact CG-CD1 4.43Å; L138-L140 HydrophobicContact CG-CD2 4.07Å; L138-L140 HydrophobicContact CG-CG 3.77Å; L138-L140 PolarHBondContact O-N 2.86Å; L138-I160 HydrophobicContact CD1-CD1 3.66Å; L138-I160 HydrophobicContact CD1-CG2 4.45Å |
| 139 | I | 47.2 | Very low | 49.9 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 55% | 0.554 | 63% | 0.628 | S | S | * | * | | | trans | -85.7 | 86.5 | 169.7 | -59.5 | 178.4 | 0 | 0 | 0 | 107 | H137 T141 | H137-I139 PolarHBondContact O-N 3.29Å; I139-T141 VanDerWaalsContact C-N 3.32Å; I139-T141 HydrophobicContact CG2-CG2 3.31Å; I139-T141 PolarHBondContact O-N 2.83Å; I139-T141 VanDerWaalsContact O-N 3.14Å |
| 140 | L | 46.8 | Very low | 51 | Low | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | | | trans | -76.2 | 90.6 | 160.9 | -64.2 | 177.2 | 0 | 0 | 0 | 107.2 | L138 | L138-L140 HydrophobicContact CD1-CD2 4.17Å; L138-L140 HydrophobicContact CD1-CG 4.41Å; L138-L140 HydrophobicContact CD2-CD1 3.62Å; L138-L140 HydrophobicContact CD2-CD2 4.03Å; L138-L140 HydrophobicContact CD2-CG 3.5Å; L138-L140 HydrophobicContact CG-CD1 4.43Å; L138-L140 HydrophobicContact CG-CD2 4.07Å; L138-L140 HydrophobicContact CG-CG 3.77Å; L138-L140 PolarHBondContact O-N 2.86Å |
| 141 | T | 46 | Very low | 51.9 | Low | 53 Ų | 53 | 109.7 Ų | 109.7 | 33% | 0.325 | 59% | 0.585 | S | S | . | * | | | trans | -95.1 | 126 | 165.4 | 54.3 | 0 | 0 | 0 | 0 | 108.8 | I139 N143 | I139-T141 VanDerWaalsContact C-N 3.32Å; I139-T141 HydrophobicContact CG2-CG2 3.31Å; I139-T141 PolarHBondContact O-N 2.83Å; I139-T141 VanDerWaalsContact O-N 3.14Å; T141-N143 PolarHBondContact O-N 3.24Å |
| 142 | N | 42.9 | Very low | 52.7 | Low | 159 Ų | 159 | 111.5 Ų | 111.5 | 85% | 0.85 | 59% | 0.592 | S | S | * | * | | | trans | -65 | 11.1 | 163.1 | -68.8 | -12.9 | 0 | 0 | 0 | 112.8 | T144 | N142-T144 VanDerWaalsContact C-N 3.27Å; N142-T144 PolarHBondContact O-N 3.33Å |
| 143 | N | 41.3 | Very low | 53.4 | Low | 99 Ų | 99 | 112.9 Ų | 112.9 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | | | trans | -75.4 | 83.9 | 174.7 | -64.3 | -19.6 | 0 | 0 | 0 | 108.5 | T141 K145 L146 | T141-N143 PolarHBondContact O-N 3.24Å; N143-K145 PolarHBondContact O-N 2.98Å; N143-L146 PolarHBondContact O-N 3.37Å |
| 144 | T | 51.2 | Low | 54.2 | Low | 134 Ų | 134 | 107.2 Ų | 107.2 | 82% | 0.822 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -6 | 167.8 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | N142 L146 | N142-T144 VanDerWaalsContact C-N 3.27Å; N142-T144 PolarHBondContact O-N 3.33Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 3.09Å |
| 145 | K | 60 | Low | 55 | Low | 195 Ų | 195 | 101.5 Ų | 101.5 | 85% | 0.848 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.3 | -178.1 | -59.6 | -172.9 | 178.8 | -174.4 | 0 | 114.7 | N143 | N143-K145 PolarHBondContact O-N 2.98Š|
| 146 | L | 66.6 | Low | 55.6 | Low | 58 Ų | 58 | 103.8 Ų | 103.8 | 30% | 0.304 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -77.7 | 131.6 | 175.9 | -72.4 | 178.2 | 0 | 0 | 0 | 110 | N143 T144 L151 | N143-L146 PolarHBondContact O-N 3.37Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 3.09Å; L146-L151 HydrophobicContact CB-CD1 4.5Å; L146-L151 HydrophobicContact CB-CD2 4.13Å; L146-L151 HydrophobicContact CB-CG 3.99Å; L146-L151 HydrophobicContact CD1-CD2 4.19Å |
| 147 | P | 69.3 | Low | 56 | Low | 73 Ų | 73 | 106.7 Ų | 106.7 | 47% | 0.474 | 56% | 0.557 | S | S | . | * | | | trans | -54.5 | 141.3 | 174.8 | -25 | 32.7 | 0 | 0 | 0 | 110.9 | A149 T150 L151 | P147-A149 PolarHBondContact O-N 2.71Å; P147-T150 WeakPolarHBondContact O-CB 3.41Å; P147-T150 PolarHBondContact O-N 2.89Å; P147-L151 PolarHBondContact O-N 3.06Å |
| 148 | P | 69.1 | Low | 56.4 | Low | 103 Ų | 103 | 103 Ų | 103 | 67% | 0.669 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -50.6 | -35.2 | -178.7 | -29.7 | 34.8 | 0 | 0 | 0 | 113.9 | T150 L151 M152 | P148-T150 VanDerWaalsContact C-N 3.33Å; P148-T150 PolarHBondContact O-N 3.48Å; P148-L151 PolarHBondContact O-N 2.74Å; P148-M152 WeakPolarHBondContact O-CB 3.4Å; P148-M152 WeakPolarHBondContact O-CG 3.4Å; P148-M152 PolarHBondContact O-N 3.42Å |
| 149 | A | 69.8 | Low | 56.2 | Low | 74 Ų | 74 | 104.3 Ų | 104.3 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -35.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P147 R153 | P147-A149 PolarHBondContact O-N 2.71Å; A149-R153 WeakPolarHBondContact O-CB 3.23Å; A149-R153 PolarHBondContact O-N 2.66Å |
| 150 | T | 67.3 | Low | 56.1 | Low | 54 Ų | 54 | 103.2 Ų | 103.2 | 33% | 0.331 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.4 | -41.9 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | P147 P148 R153 Q154 | P147-T150 WeakPolarHBondContact O-CB 3.41Å; P147-T150 PolarHBondContact O-N 2.89Å; P148-T150 VanDerWaalsContact C-N 3.33Å; P148-T150 PolarHBondContact O-N 3.48Å; T150-R153 PolarHBondContact O-N 3.43Å; T150-Q154 WeakPolarHBondContact O-CG 3.23Å; T150-Q154 PolarHBondContact O-N 2.95Å |
| 151 | L | 63.5 | Low | 55.7 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 38% | 0.377 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.6 | -46.2 | 173.9 | -71.3 | 171.6 | 0 | 0 | 0 | 111.1 | L146 P147 P148 R153 Q154 A155 | L146-L151 HydrophobicContact CB-CD1 4.5Å; L146-L151 HydrophobicContact CB-CD2 4.13Å; L146-L151 HydrophobicContact CB-CG 3.99Å; L146-L151 HydrophobicContact CD1-CD2 4.19Å; P147-L151 PolarHBondContact O-N 3.06Å; P148-L151 PolarHBondContact O-N 2.74Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 3.04Å; L151-Q154 PolarHBondContact O-N 3.44Å; L151-A155 WeakPolarHBondContact O-CB 3.16Å; L151-A155 PolarHBondContact O-N 3.25Å |
| 152 | M | 62.8 | Low | 55.8 | Low | 143 Ų | 143 | 107.6 Ų | 107.6 | 70% | 0.704 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.3 | -38.8 | 176.3 | -75.9 | -153.4 | 76.4 | 0 | 0 | 112.7 | P148 K156 | P148-M152 WeakPolarHBondContact O-CB 3.4Å; P148-M152 WeakPolarHBondContact O-CG 3.4Å; P148-M152 PolarHBondContact O-N 3.42Å; M152-K156 VanDerWaalsContact O-CB 3.27Å; M152-K156 WeakPolarHBondContact O-CB 3.37Å; M152-K156 PolarHBondContact O-N 3.38Å |
| 153 | R | 62.6 | Low | 55.5 | Low | 171 Ų | 171 | 108.2 Ų | 108.2 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.6 | -45.5 | 175.1 | -173.5 | -175.4 | -62.2 | -90.8 | -0.7 | 111.1 | A149 T150 L151 K156 E157 | A149-R153 WeakPolarHBondContact O-CB 3.23Å; A149-R153 PolarHBondContact O-N 2.66Å; T150-R153 PolarHBondContact O-N 3.43Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 3.04Å; R153-K156 PolarHBondContact O-N 3.23Å; R153-E157 WeakPolarHBondContact O-CG 3.42Å; R153-E157 PolarHBondContact O-N 3.12Å; R153-E157 VanDerWaalsContact O-N 3.09Å |
| 154 | Q | 60.9 | Low | 55.5 | Low | 65 Ų | 65 | 113.8 Ų | 113.8 | 30% | 0.304 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.8 | -43.1 | 178 | -71.7 | 178.7 | -16.6 | 0 | 0 | 111.9 | T150 L151 K156 E157 I158 | T150-Q154 WeakPolarHBondContact O-CG 3.23Å; T150-Q154 PolarHBondContact O-N 2.95Å; L151-Q154 PolarHBondContact O-N 3.44Å; Q154-K156 VanDerWaalsContact C-N 3.32Å; Q154-K156 PolarHBondContact O-N 2.9Å; Q154-E157 PolarHBondContact O-N 3.33Å; Q154-I158 WeakPolarHBondContact O-CB 3.34Å; Q154-I158 WeakPolarHBondContact O-CD1 3.23Å; Q154-I158 VanDerWaalsContact O-CG1 3.22Å; Q154-I158 WeakPolarHBondContact O-CG1 3.46Å; Q154-I158 PolarHBondContact O-N 2.92Å |
| 155 | A | 55.1 | Low | 55.1 | Low | 37 Ų | 37 | 113.7 Ų | 113.7 | 31% | 0.306 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.6 | -27.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L151 I158 | L151-A155 WeakPolarHBondContact O-CB 3.16Å; L151-A155 PolarHBondContact O-N 3.25Å; A155-I158 CarbonylContact C-O 3.56Å; A155-I158 CarbonylContact O-C 3.29Å; A155-I158 VanDerWaalsContact O-C 3.29Å |
| 156 | K | 56.3 | Low | 54.3 | Low | 188 Ų | 188 | 112.7 Ų | 112.7 | 82% | 0.817 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.6 | -32.1 | 173.7 | -165.7 | 172 | -177.2 | 176 | 0 | 112.1 | M152 R153 Q154 | M152-K156 VanDerWaalsContact O-CB 3.27Å; M152-K156 WeakPolarHBondContact O-CB 3.37Å; M152-K156 PolarHBondContact O-N 3.38Å; R153-K156 PolarHBondContact O-N 3.23Å; Q154-K156 VanDerWaalsContact C-N 3.32Å; Q154-K156 PolarHBondContact O-N 2.9Å |
| 157 | E | 52.6 | Low | 53.1 | Low | 146 Ų | 146 | 115.6 Ų | 115.6 | 68% | 0.682 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.7 | -32.1 | 173.2 | -73.8 | 176.6 | -173.8 | 0 | 0 | 112.2 | R153 Q154 | R153-E157 WeakPolarHBondContact O-CG 3.42Å; R153-E157 PolarHBondContact O-N 3.12Å; R153-E157 VanDerWaalsContact O-N 3.09Å; Q154-E157 PolarHBondContact O-N 3.33Å |
| 158 | I | 50.7 | Low | 52.2 | Low | 32 Ų | 32 | 119.9 Ų | 119.9 | 16% | 0.164 | 62% | 0.624 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -107.7 | 87.9 | 178 | -48.8 | 160.8 | 0 | 0 | 0 | 106.9 | P136 Q154 A155 I160 | P136-I158 HydrophobicContact CB-CG1 4.46Å; Q154-I158 WeakPolarHBondContact O-CB 3.34Å; Q154-I158 WeakPolarHBondContact O-CD1 3.23Å; Q154-I158 VanDerWaalsContact O-CG1 3.22Å; Q154-I158 WeakPolarHBondContact O-CG1 3.46Å; Q154-I158 PolarHBondContact O-N 2.92Å; A155-I158 CarbonylContact C-O 3.56Å; A155-I158 CarbonylContact O-C 3.29Å; A155-I158 VanDerWaalsContact O-C 3.29Å; I158-I160 HydrophobicContact CG2-CD1 3.9Å; I158-I160 HydrophobicContact CG2-CG1 4.23Å; I158-I160 PolarHBondContact O-N 2.92Å |
| 159 | S | 38.8 | Very low | 50.7 | Low | 116 Ų | 116 | 121.4 Ų | 121.4 | 81% | 0.811 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 65.6 | -172.9 | 63.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 160 | I | 43.8 | Very low | 49.4 | Very low | 86 Ų | 86 | 126.5 Ų | 126.5 | 44% | 0.441 | 64% | 0.64 | S | S | . | * | | | trans | -135.7 | 116.5 | -175.7 | -59.2 | 177.9 | 0 | 0 | 0 | 107.7 | L138 I158 I162 | L138-I160 HydrophobicContact CD1-CD1 3.66Å; L138-I160 HydrophobicContact CD1-CG2 4.45Å; I158-I160 HydrophobicContact CG2-CD1 3.9Å; I158-I160 HydrophobicContact CG2-CG1 4.23Å; I158-I160 PolarHBondContact O-N 2.92Å; I160-I162 PolarHBondContact O-N 3.14Å |
| 161 | V | 40 | Very low | 47.9 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | | | trans | -69.3 | 117.4 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | E163 | V161-E163 PolarHBondContact O-N 2.61Š|
| 162 | I | 46.1 | Very low | 46.8 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | | | trans | -83.1 | 102.4 | 173.4 | -59.9 | 172.4 | 0 | 0 | 0 | 106.9 | I160 R164 | I160-I162 PolarHBondContact O-N 3.14Å; I162-R164 PolarHBondContact O-N 3.44Å; I162-R164 VanDerWaalsContact O-N 3.16Å |
| 163 | E | 36.7 | Very low | 45.6 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | | | trans | -64.1 | 108.8 | 165.2 | -66.5 | 179.5 | -177.6 | 0 | 0 | 108 | V161 T165 | V161-E163 PolarHBondContact O-N 2.61Å; E163-T165 PolarHBondContact O-N 2.9Å; E163-T165 VanDerWaalsContact O-N 3.16Å |
| 164 | R | 43.1 | Very low | 44.9 | Very low | 215 Ų | 215 | 130.2 Ų | 130.2 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | | | trans | -71.7 | 105 | 166 | -85.5 | -172.5 | 169.5 | 125.6 | -5.1 | 107.2 | I162 F166 | I162-R164 PolarHBondContact O-N 3.44Å; I162-R164 VanDerWaalsContact O-N 3.16Å; R164-F166 PolarHBondContact O-N 3.27Å; R164-F166 VanDerWaalsContact O-N 3.11Å |
| 165 | T | 41.1 | Very low | 44 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | | | trans | -60 | 109 | 159.7 | 49.1 | 0 | 0 | 0 | 0 | 107.9 | E163 | E163-T165 PolarHBondContact O-N 2.9Å; E163-T165 VanDerWaalsContact O-N 3.16Å |
| 166 | F | 44.9 | Very low | 43.2 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | -60.5 | 146.4 | 166.3 | -70.2 | -82.3 | 0 | 0 | 0 | 108.9 | R164 L168 | R164-F166 PolarHBondContact O-N 3.27Å; R164-F166 VanDerWaalsContact O-N 3.11Å; F166-L168 PolarHBondContact O-N 3.05Å |
| 167 | P | 40.5 | Very low | 42.3 | Very low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | -60.8 | 107.6 | -179.6 | 24.7 | -32.2 | 0 | 0 | 0 | 109.4 | N169 | P167-N169 VanDerWaalsContact C-N 3.32Å; P167-N169 PolarHBondContact O-N 3.03Å |
| 168 | L | 49.8 | Very low | 41.6 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | trans | -60 | 106.2 | 151.4 | -97.1 | 91.4 | 0 | 0 | 0 | 104.6 | F166 | F166-L168 PolarHBondContact O-N 3.05Š|
| 169 | N | 37.6 | Very low | 41.2 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 170.3 | 64.7 | 153.5 | -76.8 | -12.6 | 0 | 0 | 0 | 107 | P167 | P167-N169 VanDerWaalsContact C-N 3.32Å; P167-N169 PolarHBondContact O-N 3.03Å |
| 170 | M | 43.1 | Very low | 41.1 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | | | trans | -93.6 | 100.3 | 143.3 | -82.7 | -153.5 | 83.7 | 0 | 0 | 104.6 | L172 | M170-L172 PolarHBondContact O-N 3.41Š|
| 171 | D | 35.1 | Very low | 41.3 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -53 | 111.3 | 173.7 | -69.3 | -42.8 | 0 | 0 | 0 | 108.5 | S173 | D171-S173 PolarHBondContact O-N 3.16Š|
| 172 | L | 40.7 | Very low | 41.4 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | | | trans | -68.6 | 80.8 | 170.1 | -67.4 | 166.1 | 0 | 0 | 0 | 107.2 | M170 | M170-L172 PolarHBondContact O-N 3.41Š|
| 173 | S | 37.1 | Very low | 41.5 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 55% | 0.552 | 76% | 0.762 | S | S | * | * | | | trans | -59.7 | 126.8 | 166.7 | 83.9 | 0 | 0 | 0 | 0 | 107.4 | D171 H175 | D171-S173 PolarHBondContact O-N 3.16Å; S173-H175 PolarHBondContact O-N 2.96Å |
| 174 | P | 48.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 12.2 | -163.4 | 30.5 | -36 | 0 | 0 | 0 | 114.1 | | |
| 175 | H | 43.2 | Very low | 42.4 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 1.5 | -169.5 | -100.3 | -58.2 | 0 | 0 | 0 | 117 | S173 | S173-H175 PolarHBondContact O-N 2.96Š|
| 176 | E | 37.3 | Very low | 42.8 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -122.5 | 131.9 | 169.7 | -69.6 | -170.2 | 159.9 | 0 | 0 | 110.3 | | |
| 177 | K | 36.6 | Very low | 43.1 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | -35.7 | 134.2 | -171.6 | -65.2 | 162.2 | -178.6 | 172 | 0 | 111 | V179 | K177-V179 PolarHBondContact O-N 3Š|
| 178 | P | 37.8 | Very low | 44 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | | | trans | -53.4 | 112.6 | 178.1 | 23.9 | -33 | 0 | 0 | 0 | 107.4 | T180 | P178-T180 PolarHBondContact O-N 3.09Š|
| 179 | V | 43.1 | Very low | 44.5 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | | | trans | -63.5 | 94.1 | 167.8 | 176.7 | 0 | 0 | 0 | 0 | 103.7 | K177 F181 | K177-V179 PolarHBondContact O-N 3Å; V179-F181 HydrophobicContact CB-CE2 4.46Å; V179-F181 HydrophobicContact CG1-CD2 4.08Å; V179-F181 HydrophobicContact CG1-CE2 4.03Å; V179-F181 PolarHBondContact O-N 3.08Å |
| 180 | T | 36 | Very low | 45.7 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | -59.5 | 95.3 | 165.2 | 38.8 | 0 | 0 | 0 | 0 | 104.8 | P178 D182 | P178-T180 PolarHBondContact O-N 3.09Å; T180-D182 PolarHBondContact O-N 3.09Å |
| 181 | F | 48.6 | Very low | 46.1 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | | | trans | -60.1 | 99.8 | 165.1 | -87.6 | -87.4 | 0 | 0 | 0 | 105.8 | V179 F183 | V179-F181 HydrophobicContact CB-CE2 4.46Å; V179-F181 HydrophobicContact CG1-CD2 4.08Å; V179-F181 HydrophobicContact CG1-CE2 4.03Å; V179-F181 PolarHBondContact O-N 3.08Å; F181-F183 VanDerWaalsContact C-N 3.27Å; F181-F183 VanDerWaalsContact O-CD2 3.28Å; F181-F183 WeakPolarHBondContact O-CD2 3.11Å; F181-F183 PolarHBondContact O-N 2.96Å |
| 182 | D | 41.6 | Very low | 46.9 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 47% | 0.465 | 70% | 0.702 | S | S | . | * | | | trans | -70.1 | 92.1 | 174.4 | -164 | 13.1 | 0 | 0 | 0 | 106.7 | T180 R184 H185 | T180-D182 PolarHBondContact O-N 3.09Å; D182-R184 PolarHBondContact O-N 2.91Å; D182-R184 WeakPolarHBondContact OD1-CD 3.46Å; D182-R184 WeakPolarHBondContact OD1-CG 3.32Å; D182-R184 IonicContact OD1-NE 2.68Å; D182-R184 WeakPolarHBondContact OD2-CD 3.47Å; D182-H185 PolarHBondContact O-N 3.22Å |
| 183 | F | 48.2 | Very low | 47.7 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 74% | 0.737 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -0.2 | 176.2 | -72.3 | -80.4 | 0 | 0 | 0 | 113.2 | F181 H185 | F181-F183 VanDerWaalsContact C-N 3.27Å; F181-F183 VanDerWaalsContact O-CD2 3.28Å; F181-F183 WeakPolarHBondContact O-CD2 3.11Å; F181-F183 PolarHBondContact O-N 2.96Å; F183-H185 PolarHBondContact O-N 3.41Å |
| 184 | R | 50 | Low | 48.9 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -31.4 | 168.7 | -68.1 | -177.9 | -171.8 | -157.4 | 1.2 | 113.1 | D182 H187 | D182-R184 PolarHBondContact O-N 2.91Å; D182-R184 WeakPolarHBondContact OD1-CD 3.46Å; D182-R184 WeakPolarHBondContact OD1-CG 3.32Å; D182-R184 IonicContact OD1-NE 2.68Å; D182-R184 WeakPolarHBondContact OD2-CD 3.47Å; R184-H187 PolarHBondContact O-CE1 3.27Å; R184-H187 VanDerWaalsContact O-CE1 3.32Å; R184-H187 PolarHBondContact O-ND1 3.05Å |
| 185 | H | 48.7 | Very low | 49.6 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -105.2 | -10.4 | -174 | -60.8 | 97.2 | 0 | 0 | 0 | 115.2 | D182 F183 H187 | D182-H185 PolarHBondContact O-N 3.22Å; F183-H185 PolarHBondContact O-N 3.41Å; H185-H187 PolarHBondContact O-N 2.86Å |
| 186 | S | 50.2 | Low | 50.1 | Low | 66 Ų | 66 | 138.3 Ų | 138.3 | 46% | 0.462 | 69% | 0.69 | S | S | . | * | | | trans | -82.1 | 64.8 | 173.3 | 63 | 0 | 0 | 0 | 0 | 110.2 | I188 | S186-I188 VanDerWaalsContact C-N 3.3Å; S186-I188 PolarHBondContact O-N 3.07Å |
| 187 | H | 50.9 | Low | 50.8 | Low | 150 Ų | 150 | 132.8 Ų | 132.8 | 69% | 0.694 | 68% | 0.677 | S | S | * | * | | | trans | -65.9 | 99.2 | 163.7 | -73.8 | 32.3 | 0 | 0 | 0 | 106.5 | R184 H185 I189 | R184-H187 PolarHBondContact O-CE1 3.27Å; R184-H187 VanDerWaalsContact O-CE1 3.32Å; R184-H187 PolarHBondContact O-ND1 3.05Å; H185-H187 PolarHBondContact O-N 2.86Å; H187-I189 VanDerWaalsContact C-N 3.29Å; H187-I189 PolarHBondContact O-N 3.24Å |
| 188 | I | 60.9 | Low | 51.8 | Low | 147 Ų | 147 | 129.6 Ų | 129.6 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | | | trans | -62.2 | 97.6 | 170.5 | -61.1 | 172.3 | 0 | 0 | 0 | 106.2 | S186 I190 | S186-I188 VanDerWaalsContact C-N 3.3Å; S186-I188 PolarHBondContact O-N 3.07Å; I188-I190 VanDerWaalsContact C-N 3.29Å; I188-I190 HydrophobicContact CG2-CG1 4.2Å; I188-I190 PolarHBondContact O-N 2.92Å |
| 189 | I | 59.9 | Low | 52.8 | Low | 147 Ų | 147 | 130.8 Ų | 130.8 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | | | trans | -75.3 | 90.1 | 175.5 | -56.3 | 176.6 | 0 | 0 | 0 | 106.6 | H187 P191 | H187-I189 VanDerWaalsContact C-N 3.29Å; H187-I189 PolarHBondContact O-N 3.24Å; I189-P191 VanDerWaalsContact O-CD 3.23Å; I189-P191 WeakPolarHBondContact O-CD 3.34Å |
| 190 | I | 61.7 | Low | 53.5 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 61% | 0.61 | 65% | 0.651 | S | S | * | * | | | trans | -62.7 | 117.8 | 166.4 | -59.1 | 174.2 | 0 | 0 | 0 | 106.4 | I188 R192 | I188-I190 VanDerWaalsContact C-N 3.29Å; I188-I190 HydrophobicContact CG2-CG1 4.2Å; I188-I190 PolarHBondContact O-N 2.92Å; I190-R192 PolarHBondContact O-N 3.39Å |
| 191 | P | 51.6 | Low | 54.7 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 64% | 0.639 | S | S | * | * | | | trans | -61.6 | 106.8 | 178.2 | -19.1 | 31.4 | 0 | 0 | 0 | 109.4 | I189 | I189-P191 VanDerWaalsContact O-CD 3.23Å; I189-P191 WeakPolarHBondContact O-CD 3.34Å |
| 192 | R | 51.7 | Low | 55 | Low | 108 Ų | 108 | 124.3 Ų | 124.3 | 41% | 0.408 | 63% | 0.634 | S | S | . | * | | | trans | -85.2 | 150.7 | 177.9 | -72.3 | -173.9 | 178.1 | 151.2 | 3.8 | 110.5 | I190 E196 C198 | I190-R192 PolarHBondContact O-N 3.39Å; R192-E196 HydrophobicContact CB-CB 4.35Å; R192-C198 VanDerWaalsContact NH1-C 3.33Å; R192-C198 PolarHBondContact NH1-O 3.13Å |
| 193 | R | 58.5 | Low | 55.8 | Low | 190 Ų | 190 | 124.7 Ų | 124.7 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | | | trans | -65.6 | 147.2 | 171.9 | -69.5 | 178.9 | 176.1 | 147.3 | -1.1 | 109.3 | N195 E196 | R193-N195 PolarHBondContact O-N 2.9Å; R193-E196 HydrophobicContact CB-CG 4.21Å; R193-E196 PolarHBondContact N-OE2 3.41Å; R193-E196 PolarHBondContact O-N 3.34Å |
| 194 | P | 62.6 | Low | 56.5 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 87% | 0.87 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -25.9 | -178.4 | -26.6 | 33.7 | 0 | 0 | 0 | 114.7 | | |
| 195 | N | 61.7 | Low | 57 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 85% | 0.85 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -0.2 | -177.2 | -58.7 | -10.6 | 0 | 0 | 0 | 113.6 | R193 G197 | R193-N195 PolarHBondContact O-N 2.9Å; N195-G197 PolarHBondContact O-N 3.23Å |
| 196 | E | 55.4 | Low | 57.9 | Low | 85 Ų | 85 | 116.2 Ų | 116.2 | 40% | 0.397 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -85.3 | 103.1 | 171.4 | -75.8 | 168.5 | -173.4 | 0 | 0 | 107.5 | R192 R193 | R192-E196 HydrophobicContact CB-CB 4.35Å; R193-E196 HydrophobicContact CB-CG 4.21Å; R193-E196 PolarHBondContact N-OE2 3.41Å; R193-E196 PolarHBondContact O-N 3.34Å |
| 197 | G | 52 | Low | 58.6 | Low | 51 Ų | 51 | 117.1 Ų | 117.1 | 53% | 0.526 | 63% | 0.63 | S | S | . | * | | | trans | -46.6 | 148.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N195 K199 | N195-G197 PolarHBondContact O-N 3.23Å; G197-K199 PolarHBondContact O-N 3.04Å |
| 198 | C | 57.6 | Low | 59.3 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 85% | 0.845 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -58 | -3.4 | -169.1 | -68.5 | 0 | 0 | 0 | 0 | 116.1 | R192 | R192-C198 VanDerWaalsContact NH1-C 3.33Å; R192-C198 PolarHBondContact NH1-O 3.13Å |
| 199 | K | 57.5 | Low | 59.8 | Low | 143 Ų | 143 | 116.3 Ų | 116.3 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -98.5 | 128.4 | 177.7 | -61.7 | -174.3 | 179.5 | -173.5 | 0 | 109.5 | G197 D203 | G197-K199 PolarHBondContact O-N 3.04Å; K199-D203 HydrophobicContact CB-CB 4.28Å |
| 200 | P | 58.5 | Low | 60.5 | Low | 40 Ų | 40 | 114.3 Ų | 114.3 | 26% | 0.26 | 60% | 0.603 | S | S | . | * | | | trans | -51.1 | 147 | 172 | 18.3 | -24.8 | 0 | 0 | 0 | 109.4 | F202 D203 | P200-F202 PolarHBondContact O-N 3.08Å; P200-D203 WeakPolarHBondContact CD-OD2 3Å; P200-D203 HydrophobicContact CG-CB 3.86Å; P200-D203 VanDerWaalsContact CG-CG 3.47Å; P200-D203 WeakPolarHBondContact CG-OD2 3.2Å; P200-D203 PolarHBondContact O-N 3.05Å |
| 201 | V | 60.4 | Low | 61.2 | Low | 80 Ų | 80 | 115.1 Ų | 115.1 | 49% | 0.485 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -52.7 | -29.5 | -176.5 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | R204 | V201-R204 WeakPolarHBondContact O-CB 3.46Å; V201-R204 VanDerWaalsContact O-CG 3.32Å; V201-R204 WeakPolarHBondContact O-CG 3.26Å; V201-R204 PolarHBondContact O-N 2.92Å |
| 202 | F | 55.3 | Low | 62.8 | Low | 140 Ų | 140 | 112.8 Ų | 112.8 | 61% | 0.614 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -73.9 | -24.6 | 176.7 | -55.5 | -70 | 0 | 0 | 0 | 114.2 | P200 R204 L207 F209 | P200-F202 PolarHBondContact O-N 3.08Å; F202-R204 VanDerWaalsContact C-N 3.28Å; F202-R204 PolarHBondContact O-N 2.66Å; F202-L207 HydrophobicContact CD1-CD2 4.06Å; F202-F209 HydrophobicContact CB-CZ 4.28Å; F202-F209 WeakPolarHBondContact O-CE2 3.05Å; F202-F209 WeakPolarHBondContact O-CZ 3.43Å |
| 203 | D | 58.1 | Low | 64.3 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -89.7 | 10.4 | 175.4 | -70.4 | -4.6 | 0 | 0 | 0 | 112.7 | K199 P200 | K199-D203 HydrophobicContact CB-CB 4.28Å; P200-D203 WeakPolarHBondContact CD-OD2 3Å; P200-D203 HydrophobicContact CG-CB 3.86Å; P200-D203 VanDerWaalsContact CG-CG 3.47Å; P200-D203 WeakPolarHBondContact CG-OD2 3.2Å; P200-D203 PolarHBondContact O-N 3.05Å |
| 204 | R | 62.7 | Low | 65.6 | Low | 140 Ų | 140 | 110 Ų | 110 | 53% | 0.528 | 60% | 0.604 | S | S | . | * | | | trans | -66.3 | 128 | 173.4 | -71.5 | 179.4 | 179.4 | -159.4 | 1.4 | 107.9 | V201 F202 G206 L207 | V201-R204 WeakPolarHBondContact O-CB 3.46Å; V201-R204 VanDerWaalsContact O-CG 3.32Å; V201-R204 WeakPolarHBondContact O-CG 3.26Å; V201-R204 PolarHBondContact O-N 2.92Å; F202-R204 VanDerWaalsContact C-N 3.28Å; F202-R204 PolarHBondContact O-N 2.66Å; R204-G206 PolarHBondContact O-N 3.34Å; R204-L207 PolarHBondContact O-N 2.72Å |
| 205 | P | 61.8 | Low | 66.7 | Low | 129 Ų | 129 | 105.8 Ų | 105.8 | 84% | 0.838 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -11.1 | -178.6 | 24.2 | -34.3 | 0 | 0 | 0 | 114 | | |
| 206 | G | 67.2 | Low | 67.8 | Low | 69 Ų | 69 | 104.1 Ų | 104.1 | 71% | 0.711 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -11.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R204 K208 | R204-G206 PolarHBondContact O-N 3.34Å; G206-K208 PolarHBondContact O-N 3.11Å |
| 207 | L | 63.8 | Low | 69.3 | Low | 86 Ų | 86 | 103 Ų | 103 | 45% | 0.45 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -90.2 | 97.8 | 177.1 | -135.4 | 81 | 0 | 0 | 0 | 108.3 | F202 R204 F209 | F202-L207 HydrophobicContact CD1-CD2 4.06Å; R204-L207 PolarHBondContact O-N 2.72Å; L207-F209 PolarHBondContact O-N 3.32Å |
| 208 | K | 67.2 | Low | 71 | Confident | 158 Ų | 158 | 104.5 Ų | 104.5 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | | | trans | -70.9 | 122.7 | 176.3 | -66.3 | -166.7 | 174.8 | -165.5 | 0 | 109.3 | G206 Y210 | G206-K208 PolarHBondContact O-N 3.11Å; K208-Y210 HydrophobicContact CB-CE1 4.2Å; K208-Y210 PolarHBondContact O-N 3.04Å |
| 209 | F | 71.1 | Confident | 72.3 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | | | trans | -78.3 | 115.9 | 166 | -65.6 | -82.3 | 0 | 0 | 0 | 108.1 | F202 L207 N211 | F202-F209 HydrophobicContact CB-CZ 4.28Å; F202-F209 WeakPolarHBondContact O-CE2 3.05Å; F202-F209 WeakPolarHBondContact O-CZ 3.43Å; L207-F209 PolarHBondContact O-N 3.32Å; F209-N211 PolarHBondContact O-N 2.8Å |
| 210 | Y | 73.5 | Confident | 73.7 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 41% | 0.408 | 54% | 0.535 | S | S | . | . | | | trans | -87.9 | 87.9 | 177.3 | -54.9 | -72.2 | 0 | 0 | 0 | 108 | K208 D215 I219 | K208-Y210 HydrophobicContact CB-CE1 4.2Å; K208-Y210 PolarHBondContact O-N 3.04Å; Y210-D215 HydrophobicContact CD1-CB 3.79Å; Y210-D215 HydrophobicContact CG-CB 4.28Å; Y210-I219 HydrophobicContact CD1-CD1 3.98Å; Y210-I219 HydrophobicContact CD1-CG1 4.23Å; Y210-I219 HydrophobicContact CD2-CD1 3.72Å; Y210-I219 HydrophobicContact CD2-CG1 4.42Å; Y210-I219 HydrophobicContact CE1-CD1 4.41Å; Y210-I219 HydrophobicContact CE1-CG1 4.25Å; Y210-I219 HydrophobicContact CE2-CD1 4.21Å; Y210-I219 HydrophobicContact CE2-CG1 4.47Å; Y210-I219 HydrophobicContact CG-CD1 3.57Å; Y210-I219 HydrophobicContact CG-CG1 4.28Å |
| 211 | N | 78.2 | Confident | 75.3 | Confident | 137 Ų | 137 | 106.2 Ų | 106.2 | 73% | 0.733 | 55% | 0.55 | S | S | * | * | | | trans | -109.4 | -3.9 | -175.1 | -65.3 | -11.6 | 0 | 0 | 0 | 112.7 | F209 | F209-N211 PolarHBondContact O-N 2.8Š|
| 212 | T | 84.4 | Confident | 76.6 | Confident | 73 Ų | 73 | 109.4 Ų | 109.4 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -112.4 | 148.6 | -176.5 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | A214 D215 E216 | T212-A214 PolarHBondContact O-N 3.24Å; T212-A214 VanDerWaalsContact O-N 3.16Å; T212-D215 VanDerWaalsContact O-CB 3.3Å; T212-D215 WeakPolarHBondContact O-CB 2.92Å; T212-D215 PolarHBondContact O-N 2.84Å; T212-D215 PolarHBondContact OG1-N 3.11Å; T212-D215 PolarHBondContact OG1-OD2 3.16Å; T212-E216 PolarHBondContact O-N 3.15Å |
| 213 | E | 83.9 | Confident | 78.1 | Confident | 168 Ų | 168 | 107 Ų | 107 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.7 | -30.3 | 176.4 | -65.6 | 177.9 | 178.7 | 0 | 0 | 112.2 | D215 E216 A217 | E213-D215 VanDerWaalsContact C-N 3.32Å; E213-D215 PolarHBondContact O-N 2.84Å; E213-E216 PolarHBondContact O-N 3.16Å; E213-A217 PolarHBondContact O-N 3.32Å; E213-A217 VanDerWaalsContact O-N 3.1Å |
| 214 | A | 85.2 | Confident | 79.6 | Confident | 71 Ų | 71 | 105.6 Ų | 105.6 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -34.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T212 L218 | T212-A214 PolarHBondContact O-N 3.24Å; T212-A214 VanDerWaalsContact O-N 3.16Å; A214-L218 PolarHBondContact O-N 3.29Å |
| 215 | D | 85.9 | Confident | 80.7 | Confident | 45 Ų | 45 | 102.8 Ų | 102.8 | 24% | 0.241 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -70 | -39.9 | 175.3 | -71.5 | -43.1 | 0 | 0 | 0 | 111.6 | Y210 T212 E213 A217 L218 I219 | Y210-D215 HydrophobicContact CD1-CB 3.79Å; Y210-D215 HydrophobicContact CG-CB 4.28Å; T212-D215 VanDerWaalsContact O-CB 3.3Å; T212-D215 WeakPolarHBondContact O-CB 2.92Å; T212-D215 PolarHBondContact O-N 2.84Å; T212-D215 PolarHBondContact OG1-N 3.11Å; T212-D215 PolarHBondContact OG1-OD2 3.16Å; E213-D215 VanDerWaalsContact C-N 3.32Å; E213-D215 PolarHBondContact O-N 2.84Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 2.93Å; D215-L218 WeakPolarHBondContact O-CB 3.39Å; D215-L218 PolarHBondContact O-N 3.05Å; D215-L218 VanDerWaalsContact O-N 3.11Å; D215-I219 WeakPolarHBondContact O-CG1 3.21Å; D215-I219 PolarHBondContact O-N 2.88Å |
| 216 | E | 83.8 | Confident | 81.7 | Confident | 125 Ų | 125 | 100.7 Ų | 100.7 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 175.5 | -63.6 | -172.8 | 165.5 | 0 | 0 | 111.3 | T212 E213 L218 I219 Y220 | T212-E216 PolarHBondContact O-N 3.15Å; E213-E216 PolarHBondContact O-N 3.16Å; E216-L218 VanDerWaalsContact C-N 3.28Å; E216-L218 PolarHBondContact O-N 3.48Å; E216-I219 PolarHBondContact O-N 3.43Å; E216-Y220 WeakPolarHBondContact O-CB 3.28Å; E216-Y220 PolarHBondContact O-N 2.76Å |
| 217 | A | 88 | Confident | 82.5 | Confident | 61 Ų | 61 | 101.4 Ų | 101.4 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E213 D215 Y220 K221 | E213-A217 PolarHBondContact O-N 3.32Å; E213-A217 VanDerWaalsContact O-N 3.1Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 2.93Å; A217-Y220 PolarHBondContact O-N 3.15Å; A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.95Å |
| 218 | L | 87.7 | Confident | 83.3 | Confident | 82 Ų | 82 | 100.7 Ų | 100.7 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.8 | -38.6 | 177.2 | -158.3 | 153.2 | 0 | 0 | 0 | 111.8 | A214 D215 E216 R222 | A214-L218 PolarHBondContact O-N 3.29Å; D215-L218 WeakPolarHBondContact O-CB 3.39Å; D215-L218 PolarHBondContact O-N 3.05Å; D215-L218 VanDerWaalsContact O-N 3.11Å; E216-L218 VanDerWaalsContact C-N 3.28Å; E216-L218 PolarHBondContact O-N 3.48Å; L218-R222 HydrophobicContact CD2-CG 4.23Å; L218-R222 WeakPolarHBondContact O-CG 3.34Å; L218-R222 PolarHBondContact O-N 2.76Å |
| 219 | I | 85 | Confident | 83.7 | Confident | 57 Ų | 57 | 96.6 Ų | 96.6 | 29% | 0.292 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 171.8 | -67 | 162.8 | 0 | 0 | 0 | 109.9 | Y210 D215 E216 K221 R222 L223 | Y210-I219 HydrophobicContact CD1-CD1 3.98Å; Y210-I219 HydrophobicContact CD1-CG1 4.23Å; Y210-I219 HydrophobicContact CD2-CD1 3.72Å; Y210-I219 HydrophobicContact CD2-CG1 4.42Å; Y210-I219 HydrophobicContact CE1-CD1 4.41Å; Y210-I219 HydrophobicContact CE1-CG1 4.25Å; Y210-I219 HydrophobicContact CE2-CD1 4.21Å; Y210-I219 HydrophobicContact CE2-CG1 4.47Å; Y210-I219 HydrophobicContact CG-CD1 3.57Å; Y210-I219 HydrophobicContact CG-CG1 4.28Å; D215-I219 WeakPolarHBondContact O-CG1 3.21Å; D215-I219 PolarHBondContact O-N 2.88Å; E216-I219 PolarHBondContact O-N 3.43Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.45Å; I219-R222 PolarHBondContact O-N 3.31Å; I219-L223 HydrophobicContact CG2-CD1 3.93Å; I219-L223 HydrophobicContact CG2-CG 4.34Å; I219-L223 WeakPolarHBondContact O-CG 3.28Å; I219-L223 PolarHBondContact O-N 3.22Å |
| 220 | Y | 87 | Confident | 83.5 | Confident | 152 Ų | 152 | 94.2 Ų | 94.2 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -45.8 | 179.5 | -171.1 | -94.7 | 0 | 0 | 0 | 111 | E216 A217 R222 L223 M224 | E216-Y220 WeakPolarHBondContact O-CB 3.28Å; E216-Y220 PolarHBondContact O-N 2.76Å; A217-Y220 PolarHBondContact O-N 3.15Å; Y220-R222 PolarHBondContact O-N 3.22Å; Y220-L223 PolarHBondContact O-N 3.35Å; Y220-M224 HydrophobicContact CD1-CG 3.97Å; Y220-M224 HydrophobicContact CE1-CE 4.41Å; Y220-M224 HydrophobicContact CE1-CG 3.63Å; Y220-M224 HydrophobicContact CE1-SD 4.28Å; Y220-M224 HydrophobicContact CE2-CE 4.02Å; Y220-M224 WeakPolarHBondContact O-CG 3.35Å; Y220-M224 PolarHBondContact O-N 3.38Å |
| 221 | K | 90.3 | Very high | 83 | Confident | 136 Ų | 136 | 93.7 Ų | 93.7 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.8 | -48.3 | 173.9 | -175.5 | 179.2 | 177.1 | 179.4 | 0 | 112 | A217 I219 L223 M224 D225 | A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.95Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.45Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.32Å; K221-M224 PolarHBondContact O-N 2.83Å; K221-D225 WeakPolarHBondContact O-CB 3.15Å; K221-D225 VanDerWaalsContact O-CG 3.22Å; K221-D225 PolarHBondContact O-N 3.05Å |
| 222 | R | 88.1 | Confident | 81.9 | Confident | 146 Ų | 146 | 91 Ų | 91 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -41.2 | 176.9 | -78.7 | -176.5 | -175.2 | -172.1 | 3.4 | 112.3 | L218 I219 Y220 D225 T226 | L218-R222 HydrophobicContact CD2-CG 4.23Å; L218-R222 WeakPolarHBondContact O-CG 3.34Å; L218-R222 PolarHBondContact O-N 2.76Å; I219-R222 PolarHBondContact O-N 3.31Å; Y220-R222 PolarHBondContact O-N 3.22Å; R222-D225 PolarHBondContact O-N 3.37Å; R222-T226 VanDerWaalsContact O-CG2 3.27Å; R222-T226 WeakPolarHBondContact O-CG2 3.27Å; R222-T226 PolarHBondContact O-N 2.8Å; R222-T226 PolarHBondContact O-OG1 3.3Å |
| 223 | L | 87.5 | Confident | 80.4 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 175.8 | -73.7 | 171.7 | 0 | 0 | 0 | 110.5 | I219 Y220 K221 D225 T226 I227 | I219-L223 HydrophobicContact CG2-CD1 3.93Å; I219-L223 HydrophobicContact CG2-CG 4.34Å; I219-L223 WeakPolarHBondContact O-CG 3.28Å; I219-L223 PolarHBondContact O-N 3.22Å; Y220-L223 PolarHBondContact O-N 3.35Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.32Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.41Å; L223-T226 WeakPolarHBondContact CA-OG1 3.45Å; L223-T226 PolarHBondContact O-N 2.93Å; L223-T226 PolarHBondContact O-OG1 2.8Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.19Å; L223-I227 PolarHBondContact O-N 2.91Å |
| 224 | M | 89.2 | Confident | 78.8 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 176.3 | -67.7 | -54.5 | 111.8 | 0 | 0 | 112.3 | Y220 K221 I227 S228 | Y220-M224 HydrophobicContact CD1-CG 3.97Å; Y220-M224 HydrophobicContact CE1-CE 4.41Å; Y220-M224 HydrophobicContact CE1-CG 3.63Å; Y220-M224 HydrophobicContact CE1-SD 4.28Å; Y220-M224 HydrophobicContact CE2-CE 4.02Å; Y220-M224 WeakPolarHBondContact O-CG 3.35Å; Y220-M224 PolarHBondContact O-N 3.38Å; K221-M224 PolarHBondContact O-N 2.83Å; M224-I227 HydrophobicContact CE-CD1 3.81Å; M224-I227 PolarHBondContact O-N 2.96Å; M224-S228 VanDerWaalsContact O-CB 3.23Å; M224-S228 WeakPolarHBondContact O-CB 3.41Å; M224-S228 PolarHBondContact O-N 3.49Å; M224-S228 PolarHBondContact O-OG 2.9Å |
| 225 | D | 85.8 | Confident | 77 | Confident | 81 Ų | 81 | 100.9 Ų | 100.9 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 176.3 | -70.8 | -20.8 | 0 | 0 | 0 | 111.2 | K221 R222 L223 S228 S229 | K221-D225 WeakPolarHBondContact O-CB 3.15Å; K221-D225 VanDerWaalsContact O-CG 3.22Å; K221-D225 PolarHBondContact O-N 3.05Å; R222-D225 PolarHBondContact O-N 3.37Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.41Å; D225-S228 PolarHBondContact O-N 2.92Å; D225-S229 WeakPolarHBondContact O-CB 3.27Å; D225-S229 PolarHBondContact O-N 3.33Å; D225-S229 PolarHBondContact O-OG 3.27Å |
| 226 | T | 82.8 | Confident | 74.8 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 176.6 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | R222 L223 S229 S230 | R222-T226 VanDerWaalsContact O-CG2 3.27Å; R222-T226 WeakPolarHBondContact O-CG2 3.27Å; R222-T226 PolarHBondContact O-N 2.8Å; R222-T226 PolarHBondContact O-OG1 3.3Å; L223-T226 WeakPolarHBondContact CA-OG1 3.45Å; L223-T226 PolarHBondContact O-N 2.93Å; L223-T226 PolarHBondContact O-OG1 2.8Å; T226-S229 PolarHBondContact O-N 3.26Å; T226-S230 VanDerWaalsContact O-CB 3.32Å; T226-S230 WeakPolarHBondContact O-CB 3.49Å; T226-S230 PolarHBondContact O-N 3.1Å; T226-S230 PolarHBondContact O-OG 3.43Å |
| 227 | I | 83.2 | Confident | 72.6 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 43% | 0.431 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 174.8 | -66.2 | 165 | 0 | 0 | 0 | 109.2 | L223 M224 S229 S230 N231 | L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.19Å; L223-I227 PolarHBondContact O-N 2.91Å; M224-I227 HydrophobicContact CE-CD1 3.81Å; M224-I227 PolarHBondContact O-N 2.96Å; I227-S229 PolarHBondContact O-N 3.08Å; I227-S230 PolarHBondContact O-N 2.9Å; I227-S230 PolarHBondContact O-OG 2.85Å; I227-N231 PolarHBondContact O-N 2.86Å; I227-N231 PolarHBondContact O-ND2 2.91Å |
| 228 | S | 82.1 | Confident | 70.1 | Confident | 71 Ų | 71 | 108.4 Ų | 108.4 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -42.1 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | M224 D225 S230 N231 S232 | M224-S228 VanDerWaalsContact O-CB 3.23Å; M224-S228 WeakPolarHBondContact O-CB 3.41Å; M224-S228 PolarHBondContact O-N 3.49Å; M224-S228 PolarHBondContact O-OG 2.9Å; D225-S228 PolarHBondContact O-N 2.92Å; S228-S230 PolarHBondContact O-N 2.64Å; S228-N231 PolarHBondContact O-N 3.47Å; S228-S232 PolarHBondContact O-N 3.31Å |
| 229 | S | 75.7 | Confident | 68 | Low | 72 Ų | 72 | 112.4 Ų | 112.4 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.4 | -35 | 177.1 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | D225 T226 I227 N231 S232 | D225-S229 WeakPolarHBondContact O-CB 3.27Å; D225-S229 PolarHBondContact O-N 3.33Å; D225-S229 PolarHBondContact O-OG 3.27Å; T226-S229 PolarHBondContact O-N 3.26Å; I227-S229 PolarHBondContact O-N 3.08Å; S229-N231 PolarHBondContact O-N 2.89Å; S229-S232 PolarHBondContact O-N 3.01Å |
| 230 | S | 66.5 | Low | 65.4 | Low | 72 Ų | 72 | 116.2 Ų | 116.2 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.6 | -30.1 | 174.7 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | T226 I227 S228 | T226-S230 VanDerWaalsContact O-CB 3.32Å; T226-S230 WeakPolarHBondContact O-CB 3.49Å; T226-S230 PolarHBondContact O-N 3.1Å; T226-S230 PolarHBondContact O-OG 3.43Å; I227-S230 PolarHBondContact O-N 2.9Å; I227-S230 PolarHBondContact O-OG 2.85Å; S228-S230 PolarHBondContact O-N 2.64Å |
| 231 | N | 61.7 | Low | 63.1 | Low | 93 Ų | 93 | 118.6 Ų | 118.6 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -82.6 | -33.7 | 175.8 | -67.7 | -25 | 0 | 0 | 0 | 112.8 | I227 S228 S229 R233 R234 | I227-N231 PolarHBondContact O-N 2.86Å; I227-N231 PolarHBondContact O-ND2 2.91Å; S228-N231 PolarHBondContact O-N 3.47Å; S229-N231 PolarHBondContact O-N 2.89Å; N231-R233 VanDerWaalsContact C-N 3.32Å; N231-R233 PolarHBondContact O-N 3.15Å; N231-R234 WeakPolarHBondContact O-CB 3.28Å; N231-R234 PolarHBondContact O-N 3.15Å |
| 232 | S | 57.1 | Low | 60.4 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 57% | 0.573 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.6 | -29.5 | -178.9 | 173 | 0 | 0 | 0 | 0 | 114 | S228 S229 R234 S235 | S228-S232 PolarHBondContact O-N 3.31Å; S229-S232 PolarHBondContact O-N 3.01Å; S232-R234 PolarHBondContact O-N 3.28Å; S232-R234 VanDerWaalsContact O-N 3.11Å; S232-S235 PolarHBondContact O-N 3.39Å |
| 233 | R | 52.9 | Low | 57.9 | Low | 238 Ų | 238 | 122.2 Ų | 122.2 | 90% | 0.898 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -9.8 | 173.3 | -72.6 | -171.3 | -176.5 | -176.2 | 1.9 | 113.9 | N231 | N231-R233 VanDerWaalsContact C-N 3.32Å; N231-R233 PolarHBondContact O-N 3.15Å |
| 234 | R | 50.2 | Low | 55.4 | Low | 197 Ų | 197 | 121 Ų | 121 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -11.4 | -177.8 | -70.4 | -179.6 | 131.7 | -163.5 | -5.4 | 114.4 | N231 S232 | N231-R234 WeakPolarHBondContact O-CB 3.28Å; N231-R234 PolarHBondContact O-N 3.15Å; S232-R234 PolarHBondContact O-N 3.28Å; S232-R234 VanDerWaalsContact O-N 3.11Å |
| 235 | S | 47.4 | Very low | 52.7 | Low | 84 Ų | 84 | 125 Ų | 125 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -102.5 | -1.2 | -164.8 | 71.8 | 0 | 0 | 0 | 0 | 117.8 | S232 | S232-S235 PolarHBondContact O-N 3.39Š|
| 236 | N | 38.3 | Very low | 50.3 | Low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -125.8 | 85.8 | 176.3 | -63.3 | 1.2 | 0 | 0 | 0 | 110.7 | | |
| 237 | N | 37.7 | Very low | 47.8 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | | | trans | 165.1 | 72.3 | 147.1 | -84.3 | -21.5 | 0 | 0 | 0 | 111 | | |
| 238 | T | 36.1 | Very low | 45.3 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -128 | 70.8 | 158.2 | 50.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 239 | D | 42.7 | Very low | 43.1 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 88% | 0.882 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -157.5 | 13.1 | 154.8 | -86.5 | -33.3 | 0 | 0 | 0 | 111.3 | | |
| 240 | N | 32.2 | Very low | 41.1 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -156.5 | 119.8 | 165.8 | -84.2 | -59.2 | 0 | 0 | 0 | 105.8 | | |
| 241 | K | 38.4 | Very low | 39.5 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 37.4 | 91.1 | 167.8 | -70.1 | -179.7 | 175.4 | 174.7 | 0 | 117.5 | | |
| 242 | K | 33.4 | Very low | 38.5 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | | | | 172.9 | 114.7 | 110 | -87.2 | -144.9 | 178.5 | -167.6 | 0 | 109.4 | | |
| 243 | E | 33.9 | Very low | 37.3 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | | | trans | -59.2 | 166.7 | 169.6 | -70.4 | 167.6 | 144.5 | 0 | 0 | 113 | | |
| 244 | S | 36 | Very low | 36.1 | Very low | 63 Ų | 63 | 138.3 Ų | 138.3 | 44% | 0.441 | 71% | 0.705 | S | S | . | * | | | trans | 92 | 81.8 | 164.1 | 71.2 | 0 | 0 | 0 | 0 | 116.3 | Y246 | S244-Y246 VanDerWaalsContact C-N 3.35Å; S244-Y246 WeakPolarHBondContact O-CD2 3.14Å; S244-Y246 WeakPolarHBondContact O-CE2 3.32Å; S244-Y246 PolarHBondContact O-N 2.84Å; S244-Y246 VanDerWaalsContact O-N 3.16Å; S244-Y246 VanDerWaalsContact OG-CE2 3.28Å; S244-Y246 WeakPolarHBondContact OG-CE2 3.42Å; S244-Y246 PolarHBondContact OG-OH 2.81Å |
| 245 | E | 32.1 | Very low | 35.7 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | | | | 24.1 | 78.4 | 89.5 | -165.7 | 172 | -147.1 | 0 | 0 | 112.5 | H247 | E245-H247 PolarHBondContact O-N 3.22Å; E245-H247 IonicContact OE1-CE1 3.93Å; E245-H247 IonicContact OE1-NE2 3.62Å; E245-H247 PolarHBondContact OE1-NE2 2.9Å |
| 246 | Y | 34.9 | Very low | 35.2 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 48% | 0.478 | 72% | 0.716 | S | S | . | * | | | trans | -93.3 | 87.1 | 157.3 | -79.2 | -73 | 0 | 0 | 0 | 107.4 | S244 K271 | S244-Y246 VanDerWaalsContact C-N 3.35Å; S244-Y246 WeakPolarHBondContact O-CD2 3.14Å; S244-Y246 WeakPolarHBondContact O-CE2 3.32Å; S244-Y246 PolarHBondContact O-N 2.84Å; S244-Y246 VanDerWaalsContact O-N 3.16Å; S244-Y246 VanDerWaalsContact OG-CE2 3.28Å; S244-Y246 WeakPolarHBondContact OG-CE2 3.42Å; S244-Y246 PolarHBondContact OG-OH 2.81Å; Y246-K271 VanDerWaalsContact CD1-NZ 3.33Å; Y246-K271 HydrophobicContact CE1-CD 3.52Å; Y246-K271 VanDerWaalsContact CE1-CE 3.45Å; Y246-K271 VanDerWaalsContact OH-CD 3.23Å; Y246-K271 WeakPolarHBondContact OH-CD 3.34Å; Y246-K271 WeakPolarHBondContact OH-CE 3.45Å; Y246-K271 PolarHBondContact OH-NZ 3.27Å |
| 247 | H | 30.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 57% | 0.569 | 72% | 0.724 | S | S | * | * | | | trans | -38.4 | 135.7 | 148.5 | -76.2 | -60.1 | 0 | 0 | 0 | 110.5 | E245 I249 | E245-H247 PolarHBondContact O-N 3.22Å; E245-H247 IonicContact OE1-CE1 3.93Å; E245-H247 IonicContact OE1-NE2 3.62Å; E245-H247 PolarHBondContact OE1-NE2 2.9Å; H247-I249 VanDerWaalsContact C-N 3.29Å; H247-I249 HydrophobicContact CB-CG1 4.07Å; H247-I249 PolarHBondContact O-N 2.86Å |
| 248 | D | 31 | Very low | 34.4 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | | | trans | -45.6 | 97.8 | 149.2 | -72.6 | -43.1 | 0 | 0 | 0 | 109.1 | | |
| 249 | I | 37.3 | Very low | 34.3 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 68% | 0.677 | 73% | 0.734 | S | S | * | * | | | trans | -106.1 | 69.5 | 164.3 | -51.4 | 172.5 | 0 | 0 | 0 | 106.3 | H247 | H247-I249 VanDerWaalsContact C-N 3.29Å; H247-I249 HydrophobicContact CB-CG1 4.07Å; H247-I249 PolarHBondContact O-N 2.86Å |
| 250 | S | 33.5 | Very low | 34.2 | Very low | 78 Ų | 78 | 142 Ų | 142 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | | | trans | -49.9 | 145 | 132.3 | 56.9 | 0 | 0 | 0 | 0 | 108 | | |
| 251 | H | 32.6 | Very low | 34.3 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 73% | 0.731 | 72% | 0.721 | S | S | * | * | | | trans | 101.8 | 81.6 | -179.9 | -44.8 | -44.8 | 0 | 0 | 0 | 115.3 | | |
| 252 | F | 39.6 | Very low | 34.1 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | | | | -157.7 | 45.3 | 120.3 | -135.5 | -96.6 | 0 | 0 | 0 | 112.8 | G254 | F252-G254 PolarHBondContact O-N 2.79Å; F252-G254 VanDerWaalsContact O-N 3.15Å |
| 253 | T | 32.9 | Very low | 34.3 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | trans | -83 | 61.7 | 158.9 | 52.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 254 | G | 27.2 | Very low | 34.3 | Very low | 41 Ų | 41 | 138 Ų | 138 | 42% | 0.423 | 72% | 0.722 | S | S | . | * | | | trans | -105.2 | 128.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | F252 G256 | F252-G254 PolarHBondContact O-N 2.79Å; F252-G254 VanDerWaalsContact O-N 3.15Å; G254-G256 PolarHBondContact O-N 3.03Å |
| 255 | P | 40.9 | Very low | 34.5 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 90% | 0.903 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -77 | 115.1 | -170.4 | 30.7 | -30.9 | 0 | 0 | 0 | 109.5 | | |
| 256 | G | 36.8 | Very low | 35 | Very low | 64 Ų | 64 | 144.6 Ų | 144.6 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | | | trans | 98.2 | 101 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G254 | G254-G256 PolarHBondContact O-N 3.03Š|
| 257 | R | 29 | Very low | 35.6 | Very low | 245 Ų | 245 | 146.3 Ų | 146.3 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | | | | -175.1 | 98.3 | 127.8 | -97.5 | 158.6 | -166.6 | -88 | 2.9 | 111 | | |
| 258 | F | 31.2 | Very low | 35.6 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | | | trans | 37.9 | 117 | 132.1 | -106 | -101.8 | 0 | 0 | 0 | 121.6 | | |
| 259 | Y | 33.7 | Very low | 35.9 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | S | Bend | | 20.4 | 115 | 129.8 | -60.3 | -86.7 | 0 | 0 | 0 | 119.9 | | |
| 260 | G | 40 | Very low | 36.1 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | 84.3 | 56.3 | 134.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 261 | S | 35.9 | Very low | 36.6 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | | | trans | -113.1 | 109.4 | 167.4 | -163.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 262 | R | 33.5 | Very low | 36.9 | Very low | 244 Ų | 244 | 147 Ų | 147 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | | | trans | -60.2 | 130.6 | 171 | -71.4 | 164.4 | 145.4 | 138.8 | -6.5 | 110.3 | | |
| 263 | V | 37.9 | Very low | 36.9 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | -136.4 | 128.6 | 155 | -160.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 264 | D | 33 | Very low | 37.1 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | | | trans | -58 | 125 | 177.7 | -82.2 | -54.1 | 0 | 0 | 0 | 111.9 | | |
| 265 | E | 40.7 | Very low | 37.9 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 51% | 0.509 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101 | 2.8 | -174.5 | -124.4 | -161.5 | 154.6 | 0 | 0 | 114.2 | L267 M268 S270 | E265-L267 PolarHBondContact O-N 2.96Å; E265-L267 VanDerWaalsContact O-N 3.11Å; E265-M268 PolarHBondContact O-N 3.02Å; E265-S270 WeakPolarHBondContact OE1-CA 3.3Å; E265-S270 PolarHBondContact OE1-N 3.36Å |
| 266 | R | 42.4 | Very low | 38.2 | Very low | 246 Ų | 246 | 145.8 Ų | 145.8 | 93% | 0.928 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -8.3 | 168.3 | -70.1 | -174.2 | -177.3 | 174.9 | 1.8 | 112.1 | | |
| 267 | L | 47.6 | Very low | 38.6 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -99.9 | 62.6 | 166.9 | -155.4 | 75.4 | 0 | 0 | 0 | 110 | E265 | E265-L267 PolarHBondContact O-N 2.96Å; E265-L267 VanDerWaalsContact O-N 3.11Å |
| 268 | M | 31.6 | Very low | 39.8 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 58.9 | 129.6 | 163.9 | -54.7 | -65.2 | 137 | 0 | 0 | 119.2 | E265 | E265-M268 PolarHBondContact O-N 3.02Š|
| 269 | D | 37.5 | Very low | 40.9 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | | | trans | 43.9 | 82.8 | 151.8 | -54 | -43.1 | 0 | 0 | 0 | 120.1 | | |
| 270 | S | 40.5 | Very low | 41.9 | Very low | 62 Ų | 62 | 131.1 Ų | 131.1 | 43% | 0.434 | 68% | 0.68 | S | S | . | * | | | trans | -151.5 | 89.4 | 165.8 | -153.1 | 0 | 0 | 0 | 0 | 115 | E265 R272 | E265-S270 WeakPolarHBondContact OE1-CA 3.3Å; E265-S270 PolarHBondContact OE1-N 3.36Å; S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 3.09Å |
| 271 | K | 43.8 | Very low | 42.7 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | | | trans | -32.4 | 73.2 | 161.2 | -66.7 | -177.1 | 154.8 | -170.3 | 0 | 116.9 | Y246 | Y246-K271 VanDerWaalsContact CD1-NZ 3.33Å; Y246-K271 HydrophobicContact CE1-CD 3.52Å; Y246-K271 VanDerWaalsContact CE1-CE 3.45Å; Y246-K271 VanDerWaalsContact OH-CD 3.23Å; Y246-K271 WeakPolarHBondContact OH-CD 3.34Å; Y246-K271 WeakPolarHBondContact OH-CE 3.45Å; Y246-K271 PolarHBondContact OH-NZ 3.27Å |
| 272 | R | 38.5 | Very low | 43.2 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | | | trans | -136.2 | 75.5 | 171.6 | -67.4 | -168.8 | -174.7 | -132.1 | 1.2 | 111 | S270 Y274 | S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 3.09Å; R272-Y274 VanDerWaalsContact C-N 3.29Å; R272-Y274 HydrophobicContact CB-CD2 4.09Å; R272-Y274 HydrophobicContact CB-CE2 3.85Å; R272-Y274 WeakPolarHBondContact O-CD2 3.47Å; R272-Y274 PolarHBondContact O-N 3.11Å |
| 273 | T | 39.9 | Very low | 44 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 90% | 0.902 | 65% | 0.653 | S | S | * | * | | | trans | -63.3 | 88.9 | 161.9 | -44.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 274 | Y | 37.2 | Very low | 44.1 | Very low | 118 Ų | 118 | 122 Ų | 122 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 154.4 | 171.3 | -81.7 | -81.6 | 0 | 0 | 0 | 111 | R272 L276 | R272-Y274 VanDerWaalsContact C-N 3.29Å; R272-Y274 HydrophobicContact CB-CD2 4.09Å; R272-Y274 HydrophobicContact CB-CE2 3.85Å; R272-Y274 WeakPolarHBondContact O-CD2 3.47Å; R272-Y274 PolarHBondContact O-N 3.11Å; Y274-L276 PolarHBondContact O-N 3.41Å |
| 275 | P | 44.2 | Very low | 44.7 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 80% | 0.799 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.5 | -175.3 | -13.6 | 28 | 0 | 0 | 0 | 110.4 | D277 | P275-D277 PolarHBondContact O-N 3.08Š|
| 276 | L | 47.3 | Very low | 45.3 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 119.9 | -175.7 | -65.8 | 161.1 | 0 | 0 | 0 | 111.1 | Y274 E280 T281 | Y274-L276 PolarHBondContact O-N 3.41Å; L276-E280 HydrophobicContact CD2-CB 4.4Å; L276-T281 HydrophobicContact CB-CG2 4.48Å |
| 277 | D | 45.2 | Very low | 45.6 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 51% | 0.508 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 137.5 | 165.5 | -174.1 | 43.3 | 0 | 0 | 0 | 108.5 | P275 S279 E280 | P275-D277 PolarHBondContact O-N 3.08Å; D277-S279 PolarHBondContact O-N 3.09Å; D277-S279 WeakPolarHBondContact OD2-CB 3.37Å; D277-S279 PolarHBondContact OD2-OG 2.89Å; D277-E280 PolarHBondContact O-N 2.68Å |
| 278 | P | 53.3 | Low | 45.7 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 66% | 0.656 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -17 | -176.3 | -27.1 | 35.3 | 0 | 0 | 0 | 114.1 | T281 | P278-T281 PolarHBondContact O-OG1 3.12Š|
| 279 | S | 55.6 | Low | 46.9 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 49% | 0.49 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | -25.6 | 175 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | D277 | D277-S279 PolarHBondContact O-N 3.09Å; D277-S279 WeakPolarHBondContact OD2-CB 3.37Å; D277-S279 PolarHBondContact OD2-OG 2.89Å |
| 280 | E | 53.5 | Low | 47.2 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -13.7 | -178.7 | -66.6 | -172.8 | 170.1 | 0 | 0 | 113.5 | L276 D277 | L276-E280 HydrophobicContact CD2-CB 4.4Å; D277-E280 PolarHBondContact O-N 2.68Å |
| 281 | T | 57.2 | Low | 47.9 | Very low | 41 Ų | 41 | 123.3 Ų | 123.3 | 25% | 0.252 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -53.9 | 126 | 169.8 | 55.2 | 0 | 0 | 0 | 0 | 108.9 | L276 P278 K283 | L276-T281 HydrophobicContact CB-CG2 4.48Å; P278-T281 PolarHBondContact O-OG1 3.12Å; T281-K283 PolarHBondContact O-N 3.11Å |
| 282 | P | 46.5 | Very low | 48.3 | Very low | 98 Ų | 98 | 123 Ų | 123 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | | | trans | -54.1 | 116.9 | -177.8 | -24.3 | 31.5 | 0 | 0 | 0 | 108.5 | G284 | P282-G284 PolarHBondContact O-N 3.03Š|
| 283 | K | 50.8 | Low | 49.1 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 78% | 0.783 | 64% | 0.639 | S | S | * | * | | | trans | -73.7 | 46 | 175.7 | -65.4 | 173 | -175.4 | 161.5 | 0 | 110.2 | T281 | T281-K283 PolarHBondContact O-N 3.11Š|
| 284 | G | 39.1 | Very low | 49.4 | Very low | 24 Ų | 24 | 123 Ų | 123 | 25% | 0.247 | 63% | 0.631 | C | S | . | * | | | trans | -95.2 | 138 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | P282 S286 Y287 | P282-G284 PolarHBondContact O-N 3.03Å; G284-S286 PolarHBondContact O-N 2.89Å; G284-Y287 PolarHBondContact O-N 3.16Å |
| 285 | H | 46.3 | Very low | 49.7 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 74% | 0.741 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -9.7 | 179.3 | -32.7 | 82.5 | 0 | 0 | 0 | 113.7 | H290 | H285-H290 PolarHBondContact O-NE2 2.97Š|
| 286 | S | 52.8 | Low | 49.8 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -17.9 | -178.5 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | G284 | G284-S286 PolarHBondContact O-N 2.89Š|
| 287 | Y | 49.5 | Very low | 49.4 | Very low | 188 Ų | 188 | 125.9 Ų | 125.9 | 74% | 0.737 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -99.5 | -16.7 | -171.4 | -159.3 | -98 | 0 | 0 | 0 | 114.6 | G284 | G284-Y287 PolarHBondContact O-N 3.16Š|
| 288 | Y | 50 | Low | 49.1 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -95 | 120 | 172.4 | -78.6 | -86.2 | 0 | 0 | 0 | 109 | H290 | Y288-H290 PolarHBondContact O-N 3.46Š|
| 289 | L | 56.3 | Low | 48.2 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 94% | 0.942 | 68% | 0.676 | S | S | * | * | | | trans | -53.5 | 102.5 | 166 | -156.3 | 86.8 | 0 | 0 | 0 | 107.1 | D291 | L289-D291 PolarHBondContact O-N 2.84Š|
| 290 | H | 44.5 | Very low | 47.7 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | | | trans | -67.2 | 121.3 | 176.8 | -64.4 | -69.9 | 0 | 0 | 0 | 107.3 | H285 Y288 D292 | H285-H290 PolarHBondContact O-NE2 2.97Å; Y288-H290 PolarHBondContact O-N 3.46Å; H290-D292 VanDerWaalsContact C-N 3.28Å; H290-D292 PolarHBondContact O-N 2.75Å |
| 291 | D | 54.1 | Low | 47.3 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | | | trans | -67.6 | 99.5 | 157.5 | -166.9 | 7.3 | 0 | 0 | 0 | 105.2 | L289 R293 | L289-D291 PolarHBondContact O-N 2.84Å; D291-R293 PolarHBondContact O-N 3.28Å; D291-R293 IonicContact OD1-CZ 3.65Å; D291-R293 IonicContact OD1-NE 2.84Å; D291-R293 PolarHBondContact OD1-NE 3.49Å; D291-R293 IonicContact OD1-NH2 3.61Å; D291-R293 IonicContact OD2-NE 3.76Å |
| 292 | D | 51.9 | Low | 46.9 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -59.4 | -6.1 | 178.9 | 47.3 | -18.9 | 0 | 0 | 0 | 113.1 | H290 T294 | H290-D292 VanDerWaalsContact C-N 3.28Å; H290-D292 PolarHBondContact O-N 2.75Å; D292-T294 PolarHBondContact O-N 3.09Å |
| 293 | R | 55.7 | Low | 46.9 | Very low | 204 Ų | 204 | 153 Ų | 153 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -68.1 | 4.6 | 174.4 | -73.7 | -174.6 | -93.9 | -156.7 | -16.1 | 116 | D291 | D291-R293 PolarHBondContact O-N 3.28Å; D291-R293 IonicContact OD1-CZ 3.65Å; D291-R293 IonicContact OD1-NE 2.84Å; D291-R293 PolarHBondContact OD1-NE 3.49Å; D291-R293 IonicContact OD1-NH2 3.61Å; D291-R293 IonicContact OD2-NE 3.76Å |
| 294 | T | 45.5 | Very low | 46.7 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -138.5 | 50.7 | 178.6 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | D292 | D292-T294 PolarHBondContact O-N 3.09Š|
| 295 | E | 45.4 | Very low | 46.8 | Very low | 188 Ų | 188 | 159.5 Ų | 159.5 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | trans | -69.7 | -21.8 | 156.8 | -94.4 | -161 | 157.2 | 0 | 0 | 112.5 | G297 | E295-G297 PolarHBondContact O-N 3.2Š|
| 296 | D | 46 | Very low | 46.4 | Very low | 160 Ų | 160 | 156.1 Ų | 156.1 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -88.8 | 95.9 | 178 | -66.4 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 297 | G | 38.8 | Very low | 46 | Very low | 65 Ų | 65 | 159.5 Ų | 159.5 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | | | trans | 102.3 | 90.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | E295 G299 | E295-G297 PolarHBondContact O-N 3.2Å; G297-G299 PolarHBondContact O-N 2.96Å |
| 298 | Y | 38.2 | Very low | 45.9 | Very low | 253 Ų | 253 | 154.8 Ų | 154.8 | 99% | 0.992 | 75% | 0.745 | S | S | * | * | | | trans | -26.5 | 89.4 | 144.3 | -76.8 | -101.5 | 0 | 0 | 0 | 114.3 | | |
| 299 | G | 34.4 | Very low | 45.6 | Very low | 55 Ų | 55 | 152.1 Ų | 152.1 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | | | trans | -120.5 | 129.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G297 R301 | G297-G299 PolarHBondContact O-N 2.96Å; G299-R301 PolarHBondContact O-N 3.23Å |
| 300 | P | 44.9 | Very low | 45 | Very low | 131 Ų | 131 | 153.8 Ų | 153.8 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | | | trans | -63.1 | 111.3 | -170.6 | -5.7 | 16.1 | 0 | 0 | 0 | 110 | R302 | P300-R302 PolarHBondContact O-N 2.88Š|
| 301 | R | 46 | Very low | 45 | Very low | 234 Ų | 234 | 155.3 Ų | 155.3 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -22.2 | 106.1 | 169.3 | -61 | 172 | 100.2 | 153.9 | 4.1 | 109.8 | G299 R303 | G299-R301 PolarHBondContact O-N 3.23Å; R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.37Å |
| 302 | R | 48.9 | Very low | 44.3 | Very low | 214 Ų | 214 | 161.2 Ų | 161.2 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | -49.1 | 101.3 | 167.1 | -79.9 | -178.6 | 177.2 | -173.2 | 1.2 | 106 | P300 W304 | P300-R302 PolarHBondContact O-N 2.88Å; R302-W304 VanDerWaalsContact C-N 3.28Å; R302-W304 PolarHBondContact O-N 3.25Å |
| 303 | R | 45 | Very low | 43.5 | Very low | 217 Ų | 217 | 159.6 Ų | 159.6 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | | | trans | -62 | 98 | 172 | -90.4 | -174.4 | 171.9 | -166.2 | -3.9 | 105.9 | R301 N305 | R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.37Å; R303-N305 PolarHBondContact O-N 2.74Å |
| 304 | W | 46.6 | Very low | 42.7 | Very low | 211 Ų | 211 | 154.8 Ų | 154.8 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -77.2 | 7.6 | 174.2 | -91.6 | 90.3 | 0 | 0 | 0 | 113.1 | R302 | R302-W304 VanDerWaalsContact C-N 3.28Å; R302-W304 PolarHBondContact O-N 3.25Å |
| 305 | N | 42.1 | Very low | 42.3 | Very low | 129 Ų | 129 | 154 Ų | 154 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -125.7 | 137.7 | 174.4 | -71.9 | -15 | 0 | 0 | 0 | 111.4 | R303 | R303-N305 PolarHBondContact O-N 2.74Š|
| 306 | N | 38.2 | Very low | 41.8 | Very low | 90 Ų | 90 | 155.7 Ų | 155.7 | 48% | 0.481 | 76% | 0.76 | S | S | . | * | | | trans | 106.6 | 40.1 | 168 | -53.7 | 9.6 | 0 | 0 | 0 | 117.4 | | |
| 307 | K | 44.3 | Very low | 41.3 | Very low | 193 Ų | 193 | 159.5 Ų | 159.5 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -95.1 | -20.2 | 147.4 | -79.5 | -176.4 | 179.1 | -178.6 | 0 | 113.3 | | |
| 308 | S | 46.7 | Very low | 41.3 | Very low | 89 Ų | 89 | 168 Ų | 168 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -80.6 | -29 | -180 | 43.6 | 0 | 0 | 0 | 0 | 114.2 | R310 | S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact O-N 2.95Å |
| 309 | D | 44.5 | Very low | 41.3 | Very low | 104 Ų | 104 | 161.7 Ų | 161.7 | 56% | 0.556 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -9.5 | -176.6 | -66.5 | -7.8 | 0 | 0 | 0 | 114.4 | | |
| 310 | R | 44.2 | Very low | 41.3 | Very low | 216 Ų | 216 | 168.4 Ų | 168.4 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -16.5 | 176.4 | -76.1 | -171.9 | -172.5 | 161.5 | 2.5 | 113.9 | S308 | S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact O-N 2.95Å |
| 311 | L | 43.2 | Very low | 41 | Very low | 159 Ų | 159 | 172.5 Ų | 172.5 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -5.3 | -176.2 | -70.6 | 173.7 | 0 | 0 | 0 | 113.9 | | |
| 312 | Y | 39.9 | Very low | 40.5 | Very low | 217 Ų | 217 | 166.6 Ų | 166.6 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | -5.6 | -178.4 | -144.2 | -100.7 | 0 | 0 | 0 | 116.3 | S314 | Y312-S314 PolarHBondContact O-N 3.49Š|
| 313 | S | 36 | Very low | 39.9 | Very low | 106 Ų | 106 | 167.7 Ų | 167.7 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -92.9 | 79.1 | 167.1 | -146.4 | 0 | 0 | 0 | 0 | 109.5 | S315 | S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.43Å |
| 314 | S | 37.5 | Very low | 39.7 | Very low | 103 Ų | 103 | 163.1 Ų | 163.1 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -54.5 | 100.4 | 163.4 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | Y312 Y316 | Y312-S314 PolarHBondContact O-N 3.49Å; S314-Y316 PolarHBondContact O-N 2.91Å |
| 315 | S | 36.7 | Very low | 39.4 | Very low | 101 Ų | 101 | 159.7 Ų | 159.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -61.1 | 103.7 | 168.9 | 52.7 | 0 | 0 | 0 | 0 | 107.5 | S313 R317 | S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.43Å; S315-R317 PolarHBondContact O-N 3.3Å |
| 316 | Y | 36.2 | Very low | 39.1 | Very low | 222 Ų | 222 | 158.3 Ų | 158.3 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | | | trans | -41.9 | 115.3 | 151.5 | -76.9 | -87.4 | 0 | 0 | 0 | 107.8 | S314 R318 | S314-Y316 PolarHBondContact O-N 2.91Å; Y316-R318 VanDerWaalsContact C-N 3.31Å; Y316-R318 PolarHBondContact O-N 2.7Å |
| 317 | R | 36 | Very low | 39.3 | Very low | 240 Ų | 240 | 160.1 Ų | 160.1 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | trans | -55.5 | 91.5 | 171.5 | -71.3 | -109.1 | -173.4 | 175.2 | 1.5 | 108.9 | S315 D319 | S315-R317 PolarHBondContact O-N 3.3Å; R317-D319 VanDerWaalsContact C-N 3.25Å; R317-D319 PolarHBondContact O-N 2.76Å |
| 318 | R | 36.9 | Very low | 39 | Very low | 245 Ų | 245 | 156.5 Ų | 156.5 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -85.5 | 84.5 | 151.1 | -92 | -169.1 | -165.5 | 176.3 | 6.1 | 108 | Y316 | Y316-R318 VanDerWaalsContact C-N 3.31Å; Y316-R318 PolarHBondContact O-N 2.7Å |
| 319 | D | 38.2 | Very low | 38.7 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | 10.2 | 132.8 | 132.3 | -126.4 | 18.8 | 0 | 0 | 0 | 118.2 | R317 | R317-D319 VanDerWaalsContact C-N 3.25Å; R317-D319 PolarHBondContact O-N 2.76Å |
| 320 | R | 36.3 | Very low | 38.5 | Very low | 196 Ų | 196 | 165 Ų | 165 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | | | trans | 98.5 | 110.5 | 147.8 | -60.7 | 175.7 | -169.9 | -155.1 | -0.6 | 119.6 | | |
| 321 | R | 37.1 | Very low | 38.2 | Very low | 217 Ų | 217 | 159.9 Ų | 159.9 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | | | trans | 89.5 | 94.3 | 142.8 | -68.1 | 174.8 | -177.6 | 169.5 | -0.2 | 117.8 | | |
| 322 | S | 35.1 | Very low | 38 | Very low | 110 Ų | 110 | 158.1 Ų | 158.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | | 65.1 | 87.1 | 121.7 | -46.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 323 | R | 37.9 | Very low | 37.9 | Very low | 237 Ų | 237 | 157.5 Ų | 157.5 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | | | | -157.8 | 123.5 | 120.1 | -106.7 | 165.7 | -178.7 | 167.8 | 0.7 | 108.7 | T325 | R323-T325 PolarHBondContact O-N 3.49Å; R323-T325 VanDerWaalsContact O-N 3.12Å |
| 324 | P | 39.9 | Very low | 38.2 | Very low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -67.6 | 113.4 | 176.1 | 26.7 | -28.9 | 0 | 0 | 0 | 107.8 | S326 | P324-S326 VanDerWaalsContact C-N 3.31Å; P324-S326 PolarHBondContact O-N 3.49Å |
| 325 | T | 41.1 | Very low | 38.5 | Very low | 139 Ų | 139 | 160.2 Ų | 160.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -67.5 | 99.4 | 162.1 | -44.7 | 0 | 0 | 0 | 0 | 106.1 | R323 | R323-T325 PolarHBondContact O-N 3.49Å; R323-T325 VanDerWaalsContact O-N 3.12Å |
| 326 | S | 35.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 161.8 Ų | 161.8 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.4 | 174.2 | 21.7 | 0 | 0 | 0 | 0 | 109.8 | P324 S328 | P324-S326 VanDerWaalsContact C-N 3.31Å; P324-S326 PolarHBondContact O-N 3.49Å; S326-S328 PolarHBondContact O-N 3.48Å |
| 327 | P | 42.7 | Very low | 39.6 | Very low | 127 Ų | 127 | 159.2 Ų | 159.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 124.4 | -168.6 | 30.2 | -32.2 | 0 | 0 | 0 | 110.1 | | |
| 328 | S | 37.1 | Very low | 40.2 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 145.3 | 166.2 | -136.6 | 0 | 0 | 0 | 0 | 109.9 | S326 | S326-S328 PolarHBondContact O-N 3.48Š|
| 329 | P | 40.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 139.7 | -152.3 | 27.9 | -32.9 | 0 | 0 | 0 | 113.9 | S331 | P329-S331 PolarHBondContact O-N 2.68Å; P329-S331 VanDerWaalsContact O-N 3.1Å |
| 330 | R | 39 | Very low | 41.2 | Very low | 256 Ų | 256 | 154.3 Ų | 154.3 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | | | trans | -58 | 105.2 | 172.3 | -83.2 | 173.7 | 158.9 | 175.4 | -7 | 110.4 | | |
| 331 | S | 39.4 | Very low | 41.5 | Very low | 109 Ų | 109 | 156.3 Ų | 156.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -78 | 118.2 | 158.8 | 173.8 | 0 | 0 | 0 | 0 | 108.4 | P329 R333 | P329-S331 PolarHBondContact O-N 2.68Å; P329-S331 VanDerWaalsContact O-N 3.1Å; S331-R333 VanDerWaalsContact C-N 3.29Å; S331-R333 PolarHBondContact O-N 3.39Å |
| 332 | S | 38.3 | Very low | 41.7 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -61.5 | 79.7 | 173.5 | 33.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 333 | R | 38 | Very low | 42.4 | Very low | 204 Ų | 204 | 156.1 Ų | 156.1 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | -90.8 | 102.5 | 167.9 | -167.1 | 173.8 | -173.2 | 174.3 | 2.4 | 107.9 | S331 E335 | S331-R333 VanDerWaalsContact C-N 3.29Å; S331-R333 PolarHBondContact O-N 3.39Å; R333-E335 PolarHBondContact O-N 2.83Å |
| 334 | S | 42.1 | Very low | 43 | Very low | 97 Ų | 97 | 151.7 Ų | 151.7 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | -42.7 | 128.3 | 169.7 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | I336 | S334-I336 PolarHBondContact O-N 3.19Š|
| 335 | E | 43.7 | Very low | 43.1 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -57.8 | 101.2 | 177.4 | -65.9 | 177 | 174.6 | 0 | 0 | 109.8 | R333 K337 | R333-E335 PolarHBondContact O-N 2.83Å; E335-K337 PolarHBondContact O-N 3.38Å |
| 336 | I | 46.3 | Very low | 42.8 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | trans | -73.1 | 89.7 | 167.5 | -60.2 | 155.7 | 0 | 0 | 0 | 105.4 | S334 | S334-I336 PolarHBondContact O-N 3.19Š|
| 337 | K | 50.7 | Low | 43.2 | Very low | 167 Ų | 167 | 162.3 Ų | 162.3 | 73% | 0.726 | 81% | 0.806 | S | S | * | * | | | trans | -56.1 | 134.1 | 169.7 | -71.8 | -176.4 | 178.7 | 177.6 | 0 | 107.9 | E335 K339 | E335-K337 PolarHBondContact O-N 3.38Å; K337-K339 PolarHBondContact O-N 3.41Å |
| 338 | P | 47.5 | Very low | 43.1 | Very low | 121 Ų | 121 | 164.2 Ų | 164.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | -62.7 | 108 | -179.7 | 25.8 | -32.8 | 0 | 0 | 0 | 108.6 | K340 | P338-K340 PolarHBondContact O-N 3.33Š|
| 339 | K | 47.7 | Very low | 43.3 | Very low | 197 Ų | 197 | 167.5 Ų | 167.5 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | trans | -59.4 | 103.6 | 166.4 | -91.2 | -179.1 | 171.7 | -177.2 | 0 | 106.6 | K337 W341 | K337-K339 PolarHBondContact O-N 3.41Å; K339-W341 PolarHBondContact O-N 2.92Å |
| 340 | K | 48.1 | Very low | 43 | Very low | 183 Ų | 183 | 170.3 Ų | 170.3 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | | | trans | -51 | 134.8 | 159.4 | -68.9 | 175.9 | 178 | 179.5 | 0 | 106 | P338 L342 | P338-K340 PolarHBondContact O-N 3.33Å; K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 3.4Å |
| 341 | W | 44 | Very low | 42.7 | Very low | 239 Ų | 239 | 160.5 Ų | 160.5 | 91% | 0.905 | 79% | 0.79 | S | S | * | * | | | trans | -60.6 | 99.5 | 179.1 | -65.5 | 25.9 | 0 | 0 | 0 | 106.5 | K339 H343 | K339-W341 PolarHBondContact O-N 2.92Å; W341-H343 PolarHBondContact O-N 3.19Å |
| 342 | L | 40.4 | Very low | 42.4 | Very low | 152 Ų | 152 | 162.9 Ų | 162.9 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | -71.5 | 115 | 163.4 | -88.7 | 107 | 0 | 0 | 0 | 104.2 | K340 D344 | K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 3.4Å; L342-D344 PolarHBondContact O-N 3.42Å |
| 343 | H | 49.1 | Very low | 42.1 | Very low | 171 Ų | 171 | 162.2 Ų | 162.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -55.6 | 122.9 | 159.6 | -62.7 | 173.1 | 0 | 0 | 0 | 106 | W341 K345 | W341-H343 PolarHBondContact O-N 3.19Å; H343-K345 PolarHBondContact O-N 3.46Å |
| 344 | D | 51.1 | Low | 41.8 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -48.4 | 112.9 | 174.6 | -68 | -46.2 | 0 | 0 | 0 | 108.4 | L342 F346 | L342-D344 PolarHBondContact O-N 3.42Å; D344-F346 PolarHBondContact O-N 3.26Å; D344-F346 VanDerWaalsContact O-N 3.07Å |
| 345 | K | 42.6 | Very low | 41.8 | Very low | 202 Ų | 202 | 158.7 Ų | 158.7 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | | | | 62 | 23.1 | 94.2 | -93 | -131.3 | 179.1 | -158.7 | 0 | 115.5 | H343 | H343-K345 PolarHBondContact O-N 3.46Š|
| 346 | F | 34.9 | Very low | 41.3 | Very low | 196 Ų | 196 | 159.5 Ų | 159.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -103.7 | 133.3 | 157 | -96.4 | -93.4 | 0 | 0 | 0 | 109.4 | D344 | D344-F346 PolarHBondContact O-N 3.26Å; D344-F346 VanDerWaalsContact O-N 3.07Å |
| 347 | E | 43 | Very low | 41 | Very low | 185 Ų | 185 | 162.3 Ų | 162.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 80 | 84.1 | -173.5 | -64.7 | -175.3 | 137.3 | 0 | 0 | 116.1 | | |
| 348 | E | 40.5 | Very low | 40.6 | Very low | 167 Ų | 167 | 160.2 Ų | 160.2 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | | | trans | -176 | 66.9 | 133.7 | -98.3 | 166.6 | -155.2 | 0 | 0 | 106 | E350 | E348-E350 PolarHBondContact O-N 3.29Š|
| 349 | M | 41.9 | Very low | 40.6 | Very low | 188 Ų | 188 | 162.1 Ų | 162.1 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | | | trans | -82.2 | 74 | 150.9 | -75.7 | -71.2 | -70.1 | 0 | 0 | 105.4 | | |
| 350 | E | 35.6 | Very low | 40.4 | Very low | 173 Ų | 173 | 158 Ų | 158 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | trans | -81.8 | 123.1 | 158 | -75 | -171.9 | 157.6 | 0 | 0 | 107.2 | E348 | E348-E350 PolarHBondContact O-N 3.29Š|
| 351 | G | 32.2 | Very low | 40.6 | Very low | 50 Ų | 50 | 157.3 Ų | 157.3 | 52% | 0.515 | 81% | 0.808 | S | S | . | * | | | trans | 127.7 | 114 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 352 | D | 32.1 | Very low | 41 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | cis | -160.6 | 165.8 | 16.8 | -82.1 | -49 | 0 | 0 | 0 | 108.7 | | |
| 353 | S | 31.9 | Very low | 41.9 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | 98.7 | 82.2 | 158.8 | -40.4 | 0 | 0 | 0 | 0 | 116.7 | S355 | S353-S355 PolarHBondContact O-N 2.76Š|
| 354 | S | 33.3 | Very low | 42 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -10.6 | 108.2 | 131.6 | 54.2 | 0 | 0 | 0 | 0 | 116 | | |
| 355 | S | 40.7 | Very low | 42 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -177.7 | 118.3 | 132.8 | 42.8 | 0 | 0 | 0 | 0 | 110.7 | S353 | S353-S355 PolarHBondContact O-N 2.76Š|
| 356 | Q | 34.8 | Very low | 42.2 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | 25.4 | 106.3 | 150.3 | -70.3 | 172.5 | -34 | 0 | 0 | 118.8 | | |
| 357 | K | 39 | Very low | 42.8 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | | -168.1 | 136.2 | 119.6 | -99.2 | 161.7 | -170.3 | -178.2 | 0 | 108.5 | I359 | K357-I359 PolarHBondContact O-N 2.87Š|
| 358 | P | 43.3 | Very low | 43 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126.5 | 177 | 25.2 | -31.6 | 0 | 0 | 0 | 109.3 | P360 | P358-P360 WeakPolarHBondContact O-CD 3.44Š|
| 359 | I | 45.6 | Very low | 43.5 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.3 | 175.6 | -61.8 | 163 | 0 | 0 | 0 | 107.2 | K357 M361 | K357-I359 PolarHBondContact O-N 2.87Å; I359-M361 PolarHBondContact O-N 3.26Å |
| 360 | P | 44.7 | Very low | 43.4 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136 | -178.2 | 23.5 | -31.1 | 0 | 0 | 0 | 110.1 | P358 | P358-P360 WeakPolarHBondContact O-CD 3.44Š|
| 361 | M | 51.3 | Low | 43.3 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139.7 | 176.6 | -71.5 | -171.8 | 62.2 | 0 | 0 | 110.4 | I359 V363 | I359-M361 PolarHBondContact O-N 3.26Å; M361-V363 PolarHBondContact O-N 3.11Å; M361-V363 VanDerWaalsContact O-N 3.17Å |
| 362 | P | 53 | Low | 43.9 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121.7 | 179.1 | 23.4 | -32.1 | 0 | 0 | 0 | 110.2 | | |
| 363 | V | 58.5 | Low | 44.3 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 129.3 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | M361 A365 | M361-V363 PolarHBondContact O-N 3.11Å; M361-V363 VanDerWaalsContact O-N 3.17Å; V363-A365 PolarHBondContact O-N 3.19Å |
| 364 | P | 51.2 | Low | 44.7 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 128.5 | 177.3 | -22.5 | 32.5 | 0 | 0 | 0 | 111 | | |
| 365 | A | 51.8 | Low | 44.9 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55 | 141 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V363 K367 | V363-A365 PolarHBondContact O-N 3.19Å; A365-K367 PolarHBondContact O-N 3.38Å |
| 366 | P | 46.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.5 | -179.2 | 20.4 | -29.7 | 0 | 0 | 0 | 110.6 | | |
| 367 | K | 47.7 | Very low | 44.9 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 140.9 | 175.3 | -64.9 | 172.5 | -177.2 | 169.9 | 0 | 108.6 | A365 I369 | A365-K367 PolarHBondContact O-N 3.38Å; K367-I369 PolarHBondContact O-N 3.34Å |
| 368 | P | 47.3 | Very low | 44.7 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 128.5 | 178.5 | 25 | -33.5 | 0 | 0 | 0 | 109.7 | L370 | P368-L370 PolarHBondContact O-N 2.86Å; P368-L370 VanDerWaalsContact O-N 3.15Å |
| 369 | I | 50.1 | Low | 44.2 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | | | trans | -62.9 | 114.3 | 172.3 | -62.8 | 168.8 | 0 | 0 | 0 | 106.2 | K367 W371 | K367-I369 PolarHBondContact O-N 3.34Å; I369-W371 PolarHBondContact O-N 3.46Å |
| 370 | L | 40.1 | Very low | 43.6 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | -71.2 | 107.8 | 167 | -86.9 | 144.9 | 0 | 0 | 0 | 106.7 | P368 S372 | P368-L370 PolarHBondContact O-N 2.86Å; P368-L370 VanDerWaalsContact O-N 3.15Å; L370-S372 PolarHBondContact O-N 2.89Å |
| 371 | W | 33.3 | Very low | 42.9 | Very low | 205 Ų | 205 | 133.1 Ų | 133.1 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | | | trans | -69.3 | 37.4 | 174.8 | -76.7 | 49.1 | 0 | 0 | 0 | 112.3 | I369 I374 | I369-W371 PolarHBondContact O-N 3.46Å; W371-I374 HydrophobicContact CB-CD1 4.36Å; W371-I374 HydrophobicContact CD2-CD1 3.53Å; W371-I374 HydrophobicContact CE3-CD1 3.02Å; W371-I374 HydrophobicContact CG-CD1 4.14Å; W371-I374 HydrophobicContact CH2-CD1 4.17Å; W371-I374 HydrophobicContact CZ3-CD1 3.38Å |
| 372 | S | 45.1 | Very low | 42.1 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -93.7 | 13.2 | 178.8 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | L370 | L370-S372 PolarHBondContact O-N 2.89Š|
| 373 | T | 41.6 | Very low | 41 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | trans | -139.1 | 12.6 | 179.5 | 51.6 | 0 | 0 | 0 | 0 | 116.2 | G375 | T373-G375 PolarHBondContact O-N 2.94Š|
| 374 | I | 39.4 | Very low | 39.7 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 59% | 0.585 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 105.3 | 165.2 | -68.7 | 158.5 | 0 | 0 | 0 | 106.9 | W371 | W371-I374 HydrophobicContact CB-CD1 4.36Å; W371-I374 HydrophobicContact CD2-CD1 3.53Å; W371-I374 HydrophobicContact CE3-CD1 3.02Å; W371-I374 HydrophobicContact CG-CD1 4.14Å; W371-I374 HydrophobicContact CH2-CD1 4.17Å; W371-I374 HydrophobicContact CZ3-CD1 3.38Å |
| 375 | G | 37.8 | Very low | 38.7 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.8 | 2.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T373 | T373-G375 PolarHBondContact O-N 2.94Š|
| 376 | K | 36.3 | Very low | 37.7 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | | | trans | -143 | 52.5 | 175.5 | -64.8 | -169.5 | -179.4 | -175.6 | 0 | 114.1 | | |
| 377 | E | 39.1 | Very low | 36.9 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | -122.6 | 127.9 | 145.5 | 57.5 | -89.3 | 176.4 | 0 | 0 | 104.6 | | |
| 378 | I | 35.2 | Very low | 36.3 | Very low | 157 Ų | 157 | 134 Ų | 134 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | | | cis | -153.2 | 107.8 | 45.5 | -64.1 | 150.4 | 0 | 0 | 0 | 105.7 | | |
| 379 | L | 31.9 | Very low | 35.8 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -141.7 | 118.2 | 156.5 | -125.6 | 103.7 | 0 | 0 | 0 | 108.1 | | |
| 380 | N | 32.7 | Very low | 35 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | 82.3 | 74.3 | 162 | -52.3 | -14.8 | 0 | 0 | 0 | 116.2 | | |
| 381 | G | 30.2 | Very low | 34.5 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | | 28.9 | 107.5 | 123 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 382 | N | 34.3 | Very low | 34.2 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | | | trans | -129.5 | 112.4 | 137.6 | -84.6 | -30.1 | 0 | 0 | 0 | 107.4 | T384 | N382-T384 PolarHBondContact O-N 3.48Š|
| 383 | K | 30.5 | Very low | 33.3 | Very low | 193 Ų | 193 | 138 Ų | 138 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | -65.4 | 112.3 | -179.9 | -61.2 | 168.4 | 179.3 | 178 | 0 | 108.4 | V385 | K383-V385 HydrophobicContact CB-CG2 4.05Å; K383-V385 PolarHBondContact O-N 3.18Å |
| 384 | T | 31.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 91% | 0.914 | 76% | 0.758 | S | S | * | * | | | trans | -81.6 | 105.6 | 153.2 | 36.5 | 0 | 0 | 0 | 0 | 107.6 | N382 | N382-T384 PolarHBondContact O-N 3.48Š|
| 385 | V | 30.3 | Very low | 32.2 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | | | trans | -75.1 | 130.5 | -170.8 | 155.6 | 0 | 0 | 0 | 0 | 110.4 | K383 | K383-V385 HydrophobicContact CB-CG2 4.05Å; K383-V385 PolarHBondContact O-N 3.18Å |
| 386 | V | 30.8 | Very low | 31.8 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 62% | 0.624 | 77% | 0.773 | S | S | * | * | | | trans | 74.7 | 103.7 | 139.9 | -177 | 0 | 0 | 0 | 0 | 118 | D388 | V386-D388 HydrophobicContact CG1-CB 4.15Š|
| 387 | S | 29.1 | Very low | 31.7 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -73.1 | 113.5 | 135.9 | -59.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 388 | D | 35.3 | Very low | 31.3 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | trans | -87.7 | 93.3 | 159.8 | -114.9 | -22.7 | 0 | 0 | 0 | 106.5 | V386 Q390 | V386-D388 HydrophobicContact CG1-CB 4.15Å; D388-Q390 PolarHBondContact OD1-NE2 2.92Å |
| 389 | D | 36.7 | Very low | 30.9 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | -132.1 | 94.1 | 150.8 | -88.2 | -35.1 | 0 | 0 | 0 | 104.4 | | |
| 390 | Q | 34.3 | Very low | 31 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | -68.4 | 139.5 | -177.1 | -72.1 | -77.2 | -28.8 | 0 | 0 | 110.5 | D388 | D388-Q390 PolarHBondContact OD1-NE2 2.92Š|
| 391 | N | 29.7 | Very low | 30.8 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 87.2 | 83.4 | 159.9 | -50.3 | -44.7 | 0 | 0 | 0 | 117.1 | | |
| 392 | Y | 25.6 | Very low | 31 | Very low | 239 Ų | 239 | 135.9 Ų | 135.9 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | | | | -157.9 | 103 | 128.8 | -116.7 | -82 | 0 | 0 | 0 | 111.1 | | |
| 393 | S | 27.5 | Very low | 30.5 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -166.1 | 130.4 | 152 | -156.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 394 | P | 30.3 | Very low | 30.5 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | | -144.1 | 139.6 | 111.8 | 33.9 | -17.7 | 0 | 0 | 0 | 114.9 | | |
| 395 | N | 26.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | trans | 52.7 | 119.2 | 133.7 | -58.5 | -18.4 | 0 | 0 | 0 | 120 | | |
| 396 | S | 29.7 | Very low | 30.3 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | | 167.4 | 127.4 | 101.8 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 397 | A | 35.4 | Very low | 30.4 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | trans | 134.1 | 65.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 398 | A | 29.3 | Very low | 30.4 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | | 51.5 | 93.8 | 66.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 399 | N | 28.2 | Very low | 30.5 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 74.1 | 107.9 | 138.2 | -48 | -31.9 | 0 | 0 | 0 | 118.3 | | |
| 400 | Q | 34.2 | Very low | 30 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | | | | -143.2 | 131.9 | 123 | -106.7 | 170 | 63.1 | 0 | 0 | 110.4 | | |
| 401 | S | 27.2 | Very low | 29.9 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -87.5 | 171.6 | -157.6 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 402 | P | 34.9 | Very low | 29.8 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | trans | -98.1 | -178.1 | -173.2 | 36.9 | -26.8 | 0 | 0 | 0 | 113.2 | | |
| 403 | L | 23.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | 113.3 | 118.8 | 168.6 | -86 | 73.9 | 0 | 0 | 0 | 114.4 | | |
| 404 | T | 31.5 | Very low | 30.3 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | -171 | 112 | 100.7 | 41.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 405 | D | 25.8 | Very low | 30.3 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | -76.3 | 137.4 | 151.2 | -64.8 | -45.2 | 0 | 0 | 0 | 107.9 | | |
| 406 | N | 31.9 | Very low | 30.5 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -164.6 | 98.7 | 157.1 | -89.2 | -25.6 | 0 | 0 | 0 | 107.1 | | |
| 407 | E | 32.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | 80 | 105.4 | 95.2 | -75.1 | -168.5 | -170.9 | 0 | 0 | 114.8 | | |
| 408 | N | 28.5 | Very low | 30.1 | Very low | 131 Ų | 131 | 147 Ų | 147 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 52.9 | 95 | 132.9 | -109.1 | -18.9 | 0 | 0 | 0 | 119.2 | T410 | N408-T410 PolarHBondContact OD1-OG1 3.43Š|
| 409 | I | 37.4 | Very low | 30 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | | | trans | -117.9 | 73.8 | 144.5 | -53.8 | 175.6 | 0 | 0 | 0 | 107.4 | | |
| 410 | T | 26.2 | Very low | 30.2 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 58% | 0.583 | 79% | 0.786 | S | S | * | * | | | trans | -97.9 | 114.9 | 156.1 | 43.9 | 0 | 0 | 0 | 0 | 107 | N408 | N408-T410 PolarHBondContact OD1-OG1 3.43Š|
| 411 | N | 31.9 | Very low | 30 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | 149.2 | 129 | 138.2 | -71.9 | -33.9 | 0 | 0 | 0 | 113.5 | | |
| 412 | K | 28.8 | Very low | 30 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | 81 | 95.7 | 158.1 | -65.6 | -177.2 | 177.6 | -175.3 | 0 | 119 | | |
| 413 | L | 33.4 | Very low | 29.7 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | | | trans | -148.6 | 78.2 | 130.9 | -108.2 | 153.4 | 0 | 0 | 0 | 108.4 | | |
| 414 | E | 30.3 | Very low | 30 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -70.7 | 139.7 | 163.8 | -73.8 | 179.9 | 152.1 | 0 | 0 | 109.7 | | |
| 415 | T | 29.8 | Very low | 29.7 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | 57.8 | 86 | 150.1 | 57.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 416 | K | 29.8 | Very low | 29.7 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -119.9 | 70.7 | 143.5 | -154.6 | 174.2 | -174.6 | -177.4 | 0 | 110 | | |
| 417 | V | 28.9 | Very low | 29.5 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | trans | -78.2 | 136.1 | 162.9 | 173.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 418 | Q | 27.9 | Very low | 29.2 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 73.2 | 85.6 | 172.6 | -74.7 | 164.2 | -6.9 | 0 | 0 | 117.7 | | |
| 419 | S | 28 | Very low | 29.2 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | trans | -173.9 | 60.2 | 141.4 | 42.7 | 0 | 0 | 0 | 0 | 112 | | |
| 420 | V | 33.2 | Very low | 28.7 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -140.3 | 43.8 | 160.3 | -161.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 421 | V | 29.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 146 Ų | 146 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -132.2 | 64.8 | 166.8 | -172.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 422 | S | 27 | Very low | 28.6 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -162.6 | 132.2 | 159.7 | -21 | 0 | 0 | 0 | 0 | 107.2 | | |
| 423 | N | 27.4 | Very low | 28.5 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | 95.5 | 75.3 | 168.8 | -44.7 | -15.6 | 0 | 0 | 0 | 116 | | |
| 424 | S | 30.6 | Very low | 28.2 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | | -155.2 | 58.4 | 126.3 | 56 | 0 | 0 | 0 | 0 | 111.1 | | |
| 425 | T | 24.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | -76.7 | 116.9 | 149.9 | -47.7 | 0 | 0 | 0 | 0 | 105.6 | | |
| 426 | V | 27.3 | Very low | 28.1 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | 161.8 | 126.5 | 140.1 | 160.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 427 | R | 26.8 | Very low | 28.3 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | | | trans | 87 | 87.6 | 156.9 | -77.9 | 161.3 | -167.2 | -159.2 | -0.5 | 119.2 | N429 | R427-N429 PolarHBondContact O-N 3.46Š|
| 428 | S | 25.5 | Very low | 28.3 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | | -37.2 | 112.4 | 125.1 | 52 | 0 | 0 | 0 | 0 | 111.6 | | |
| 429 | N | 29.2 | Very low | 28.7 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -122.8 | 102.2 | 152.4 | -82.6 | -14.2 | 0 | 0 | 0 | 106.7 | R427 N431 | R427-N429 PolarHBondContact O-N 3.46Å; N429-N431 PolarHBondContact O-N 2.85Å; N429-N431 VanDerWaalsContact O-N 3.09Å |
| 430 | E | 28 | Very low | 28.7 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -55.8 | 102.9 | 159.6 | -62 | 167.5 | -178.7 | 0 | 0 | 107.6 | | |
| 431 | N | 29.3 | Very low | 29 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -125.5 | 94.5 | 159.9 | -88.4 | -17.9 | 0 | 0 | 0 | 107.1 | N429 C433 | N429-N431 PolarHBondContact O-N 2.85Å; N429-N431 VanDerWaalsContact O-N 3.09Å; N431-C433 PolarHBondContact O-N 2.76Å |
| 432 | V | 25.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -55 | 101.6 | 156.4 | 175.5 | 0 | 0 | 0 | 0 | 106.8 | T434 | V432-T434 HydrophobicContact CG1-CG2 4.38Š|
| 433 | C | 26.3 | Very low | 29.6 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -106.9 | 92.6 | 165.6 | -165.2 | 0 | 0 | 0 | 0 | 107.8 | N431 K435 | N431-C433 PolarHBondContact O-N 2.76Å; C433-K435 PolarHBondContact O-N 2.85Å |
| 434 | T | 27.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | trans | -63.7 | 110.9 | 153.8 | 46.8 | 0 | 0 | 0 | 0 | 107.8 | V432 | V432-T434 HydrophobicContact CG1-CG2 4.38Š|
| 435 | K | 29.2 | Very low | 30.3 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -166.5 | 124.1 | 149 | -104.3 | 159.9 | -168.5 | -169.9 | 0 | 109.3 | C433 E437 | C433-K435 PolarHBondContact O-N 2.85Å; K435-E437 PolarHBondContact O-N 2.81Å |
| 436 | E | 28.9 | Very low | 30.9 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -56.7 | 99.6 | 169.1 | -64.1 | 164.2 | 155.1 | 0 | 0 | 108.6 | | |
| 437 | E | 33.2 | Very low | 31.5 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -99.3 | 102.1 | 160.9 | -74.3 | -172.8 | 177 | 0 | 0 | 107.2 | K435 L439 | K435-E437 PolarHBondContact O-N 2.81Å; E437-L439 PolarHBondContact O-N 3.41Å |
| 438 | H | 28.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | trans | -53.6 | 84.6 | 163.2 | -75 | -87 | 0 | 0 | 0 | 109.7 | N440 | H438-N440 VanDerWaalsContact C-N 3.26Å; H438-N440 PolarHBondContact O-N 3.24Å |
| 439 | L | 36.5 | Very low | 33.5 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | -76 | 92 | 160.1 | -70.9 | 174.2 | 0 | 0 | 0 | 106.9 | E437 S441 | E437-L439 PolarHBondContact O-N 3.41Å; L439-S441 PolarHBondContact O-N 2.89Å |
| 440 | N | 28.2 | Very low | 34 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -56.3 | 85.6 | 162.5 | -65.7 | -29.5 | 0 | 0 | 0 | 108.7 | H438 E442 | H438-N440 VanDerWaalsContact C-N 3.26Å; H438-N440 PolarHBondContact O-N 3.24Å; N440-E442 PolarHBondContact O-N 3.21Å |
| 441 | S | 40.5 | Very low | 35.1 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | trans | -87.5 | 95.3 | 160 | 43 | 0 | 0 | 0 | 0 | 107.9 | L439 I443 | L439-S441 PolarHBondContact O-N 2.89Å; S441-I443 PolarHBondContact O-N 2.72Å |
| 442 | E | 31.3 | Very low | 36 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | | | trans | -46.9 | 120.1 | 171.5 | -158.8 | 167 | -159.2 | 0 | 0 | 110.1 | N440 F444 | N440-E442 PolarHBondContact O-N 3.21Å; E442-F444 HydrophobicContact CB-CE2 4.36Å; E442-F444 WeakPolarHBondContact O-CD2 3.36Å; E442-F444 PolarHBondContact O-N 2.8Å; E442-F444 VanDerWaalsContact O-N 3.07Å |
| 443 | I | 38.4 | Very low | 37.1 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | | | trans | -73.3 | 99.4 | 177.6 | -62.3 | 168.2 | 0 | 0 | 0 | 106.7 | S441 H445 | S441-I443 PolarHBondContact O-N 2.72Å; I443-H445 PolarHBondContact O-N 3.41Å |
| 444 | F | 36.6 | Very low | 38.2 | Very low | 169 Ų | 169 | 142 Ų | 142 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | | | trans | -70.4 | 99.7 | 170.2 | -71 | -81.7 | 0 | 0 | 0 | 109.2 | E442 L446 | E442-F444 HydrophobicContact CB-CE2 4.36Å; E442-F444 WeakPolarHBondContact O-CD2 3.36Å; E442-F444 PolarHBondContact O-N 2.8Å; E442-F444 VanDerWaalsContact O-N 3.07Å; F444-L446 PolarHBondContact O-N 3.01Å |
| 445 | H | 35.2 | Very low | 39.4 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -73.3 | 100.5 | 162.1 | -80.1 | -66.2 | 0 | 0 | 0 | 108.2 | I443 D447 | I443-H445 PolarHBondContact O-N 3.41Å; H445-D447 PolarHBondContact O-N 3.47Å |
| 446 | L | 36.4 | Very low | 40.5 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | | | trans | -80.9 | 107.5 | 165.9 | -74.3 | 166.8 | 0 | 0 | 0 | 108 | F444 V448 | F444-L446 PolarHBondContact O-N 3.01Å; L446-V448 PolarHBondContact O-N 2.94Å; L446-V448 VanDerWaalsContact O-N 3.12Å |
| 447 | D | 41 | Very low | 41.3 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | | | trans | -67.9 | 104.4 | 168.2 | -83.2 | -24.2 | 0 | 0 | 0 | 108.7 | H445 D449 | H445-D447 PolarHBondContact O-N 3.47Å; D447-D449 PolarHBondContact O-N 3.16Å |
| 448 | V | 45.9 | Very low | 41.8 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 54% | 0.539 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67 | -15.3 | -175.5 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | L446 H450 F452 | L446-V448 PolarHBondContact O-N 2.94Å; L446-V448 VanDerWaalsContact O-N 3.12Å; V448-H450 PolarHBondContact O-N 3.24Å; V448-F452 HydrophobicContact CG1-CD2 4.2Å; V448-F452 HydrophobicContact CG1-CE2 3.71Å; V448-F452 WeakPolarHBondContact O-CD2 3.23Å |
| 449 | D | 46.7 | Very low | 42.4 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -71.4 | -28.9 | -177.3 | -64.9 | -17.5 | 0 | 0 | 0 | 112.8 | D447 | D447-D449 PolarHBondContact O-N 3.16Å |
| 450 | H | 41.4 | Very low | 42.8 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -76.6 | -21.5 | 180 | -92.7 | 60.5 | 0 | 0 | 0 | 114.4 | V448 F452 | V448-H450 PolarHBondContact O-N 3.24Å; H450-F452 VanDerWaalsContact C-N 3.33Å |
| 451 | V | 50.4 | Low | 43.6 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 66% | 0.661 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -78.5 | -23.1 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 452 | F | 48.5 | Very low | 43.8 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -81.5 | -25.9 | -180 | -78.6 | -73.1 | 0 | 0 | 0 | 113.6 | V448 H450 | V448-F452 HydrophobicContact CG1-CD2 4.2Å; V448-F452 HydrophobicContact CG1-CE2 3.71Å; V448-F452 WeakPolarHBondContact O-CD2 3.23Å; H450-F452 VanDerWaalsContact C-N 3.33Å |
| 453 | D | 48.8 | Very low | 44.5 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77.1 | -33.5 | 179.6 | -70.6 | -18 | 0 | 0 | 0 | 112.1 | A455 I456 | D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.1Å; D453-I456 PolarHBondContact O-N 2.94Å |
| 454 | E | 49.8 | Very low | 44.9 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73.1 | -20.8 | 178.4 | -156.4 | -177.2 | 171.4 | 0 | 0 | 113 | I456 R458 | E454-I456 VanDerWaalsContact C-N 3.34Å; E454-R458 IonicContact OE1-NH2 3.28Å |
| 455 | A | 51.6 | Low | 45.5 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -7.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | D453 | D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.1Å |
| 456 | I | 51.5 | Low | 46.3 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -14.5 | 179.8 | -64.9 | 173.5 | 0 | 0 | 0 | 111.9 | D453 E454 | D453-I456 PolarHBondContact O-N 2.94Å; E454-I456 VanDerWaalsContact C-N 3.34Å |
| 457 | E | 46.9 | Very low | 47.1 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | | | trans | -102.2 | 11 | 179.2 | -74.3 | -165.5 | 162.5 | 0 | 0 | 115.5 | | |
| 458 | R | 43.3 | Very low | 47.7 | Very low | 263 Ų | 263 | 138.4 Ų | 138.4 | 99% | 0.992 | 69% | 0.69 | S | S | * | * | | | trans | -120.2 | 0 | 166.7 | -65.3 | -170.6 | -172.3 | -172.8 | 7.2 | 110.6 | E454 | E454-R458 IonicContact OE1-NH2 3.28Š|