| 1 | T | 40.4 | Very low | 40.5 | Very low | 191 Ų | 191 | 155.7 Ų | 155.7 | 100% | 1.172 | 85% | 0.85 | S | S | * | * | | | | 0 | 124.3 | 0 | 26.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 2 | P | 46.3 | Very low | 40.6 | Very low | 127 Ų | 127 | 163.3 Ų | 163.3 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | | | trans | -97.2 | 143.3 | 175.7 | 35.7 | -30.5 | 0 | 0 | 0 | 112.4 | | |
| 3 | L | 42.2 | Very low | 40.4 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 88% | 0.88 | 84% | 0.843 | S | S | * | * | | | trans | -143.2 | 119.6 | 161.8 | -88 | 150.1 | 0 | 0 | 0 | 103.1 | | |
| 4 | E | 43.2 | Very low | 39.9 | Very low | 143 Ų | 143 | 160.9 Ų | 160.9 | 67% | 0.668 | 85% | 0.847 | S | S | * | * | | | cis | 62.4 | 78.4 | 39.3 | -114.5 | -61.9 | 117.3 | 0 | 0 | 111.6 | K6 | E4-K6 WeakPolarHBondContact OE2-CE 3.31Š|
| 5 | E | 44.2 | Very low | 39.6 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | | | trans | -130.6 | 155.5 | 156.6 | -165.5 | 165.9 | 149.5 | 0 | 0 | 109.8 | | |
| 6 | K | 40.4 | Very low | 39.4 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | | | trans | -113.1 | 154.2 | -151.4 | -68.8 | 165.1 | -177.6 | 162.3 | 0 | 113.3 | E4 | E4-K6 WeakPolarHBondContact OE2-CE 3.31Š|
| 7 | R | 40.2 | Very low | 38.9 | Very low | 241 Ų | 241 | 154.1 Ų | 154.1 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | 23.1 | 123.6 | 141.3 | -55.5 | 176.4 | -176.2 | -174 | -0.5 | 117.3 | | |
| 8 | S | 38.8 | Very low | 38.8 | Very low | 125 Ų | 125 | 157.6 Ų | 157.6 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | | | trans | -135.1 | 127.3 | 139.8 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 9 | S | 38.2 | Very low | 38.8 | Very low | 119 Ų | 119 | 158.3 Ų | 158.3 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -87.8 | 139.9 | 174.6 | 47.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 10 | G | 35.6 | Very low | 38.6 | Very low | 79 Ų | 79 | 158.1 Ų | 158.1 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | -141.4 | 52.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 11 | E | 36.4 | Very low | 38.4 | Very low | 170 Ų | 170 | 162 Ų | 162 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -59.2 | 138.1 | 168.3 | -96.8 | -174.2 | 91.4 | 0 | 0 | 111.5 | | |
| 12 | R | 41.3 | Very low | 38.5 | Very low | 247 Ų | 247 | 164.5 Ų | 164.5 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | | | trans | -156 | 104.1 | 155.4 | -113.7 | -179.8 | -66.7 | -163.3 | 1.5 | 109.4 | | |
| 13 | N | 37.6 | Very low | 38.4 | Very low | 127 Ų | 127 | 164.3 Ų | 164.3 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | | | trans | -89.8 | 142.4 | 162.6 | -68 | -74.1 | 0 | 0 | 0 | 108.3 | | |
| 14 | D | 34.2 | Very low | 38 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | 152.9 | 150.8 | 157.3 | -86.8 | -21.4 | 0 | 0 | 0 | 110.1 | | |
| 15 | A | 35.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 161.5 Ų | 161.5 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | | | cis | -160.5 | 158.9 | -23.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 16 | A | 36.1 | Very low | 37.3 | Very low | 94 Ų | 94 | 162.2 Ų | 162.2 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | trans | 30 | 116.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 17 | Y | 31.2 | Very low | 37.1 | Very low | 194 Ų | 194 | 164.5 Ų | 164.5 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | | | trans | -140.8 | 99.4 | 133 | -146.9 | -94.2 | 0 | 0 | 0 | 113.4 | K19 | Y17-K19 HydrophobicContact CD1-CG 4.47Å; Y17-K19 HydrophobicContact CE1-CB 4.48Å; Y17-K19 HydrophobicContact CE1-CD 3.72Å; Y17-K19 HydrophobicContact CE1-CG 3.85Å; Y17-K19 PolarHBondContact OH-NZ 3.03Å |
| 18 | R | 37.6 | Very low | 37 | Very low | 216 Ų | 216 | 158.1 Ų | 158.1 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | | | trans | -101.4 | 103.4 | -177.6 | -170 | -163 | -138.7 | -174.4 | 9.5 | 109.7 | | |
| 19 | K | 38.4 | Very low | 36.6 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | | | trans | -107.3 | 112.6 | 175.2 | -113.7 | 178.7 | -171.4 | 153.7 | 0 | 112.5 | Y17 | Y17-K19 HydrophobicContact CD1-CG 4.47Å; Y17-K19 HydrophobicContact CE1-CB 4.48Å; Y17-K19 HydrophobicContact CE1-CD 3.72Å; Y17-K19 HydrophobicContact CE1-CG 3.85Å; Y17-K19 PolarHBondContact OH-NZ 3.03Å |
| 20 | H | 35.1 | Very low | 36.5 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | | | trans | -76.1 | 140.6 | 171.7 | -72.6 | -119.3 | 0 | 0 | 0 | 110.9 | | |
| 21 | R | 34.2 | Very low | 36.5 | Very low | 240 Ų | 240 | 158 Ų | 158 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -155.2 | 108.7 | 151.4 | -138.1 | 173.1 | -173.2 | 172.7 | 1.7 | 112.3 | | |
| 22 | R | 43 | Very low | 36.7 | Very low | 244 Ų | 244 | 159.7 Ų | 159.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -99.2 | 148.2 | 142.7 | -54.3 | -171 | -163.2 | 175.5 | 6.3 | 105.9 | | |
| 23 | P | 42.7 | Very low | 36.5 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | | -136.4 | 179.8 | 83.2 | 38.2 | -24 | 0 | 0 | 0 | 111.4 | | |
| 24 | G | 33.8 | Very low | 36.5 | Very low | 71 Ų | 71 | 157.3 Ų | 157.3 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | | | cis | -180 | 164.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 25 | E | 35.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -73.7 | 143.2 | -176.2 | -67.4 | 169.6 | 82.2 | 0 | 0 | 113.1 | | |
| 26 | K | 38.3 | Very low | 36.6 | Very low | 210 Ų | 210 | 157.6 Ų | 157.6 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | -138.6 | 120.3 | 153.6 | -73.5 | -164.7 | 175.5 | -174.2 | 0 | 109.9 | | |
| 27 | K | 36.4 | Very low | 37 | Very low | 202 Ų | 202 | 159.2 Ų | 159.2 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | | | trans | -92.7 | 129 | 168.4 | -76 | -178.1 | 178 | 175.7 | 0 | 110.1 | | |
| 28 | A | 36.9 | Very low | 37.7 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | | | trans | -153.6 | 155.7 | 155 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 29 | G | 32.1 | Very low | 37.5 | Very low | 72 Ų | 72 | 154.3 Ų | 154.3 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | cis | 166.6 | 123 | 0.3 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 30 | T | 36 | Very low | 37.6 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 93% | 0.933 | 83% | 0.825 | S | S | * | * | | | trans | -64.8 | 135.2 | -164.6 | 48 | 0 | 0 | 0 | 0 | 114.1 | | |
| 31 | A | 35.1 | Very low | 37.4 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | | | trans | -139.1 | 126.5 | 153 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 32 | K | 40.6 | Very low | 37.8 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | | | trans | -85.3 | 142.2 | 162.6 | -69.4 | 177.6 | 177.8 | 177.1 | 0 | 107.6 | | |
| 33 | Q | 37.4 | Very low | 37.8 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | | | trans | -130.4 | 136.2 | 152 | -154.3 | -179.5 | 33.2 | 0 | 0 | 109.4 | | |
| 34 | V | 37.4 | Very low | 38.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | | | trans | -124.9 | 124.6 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 35 | S | 35.2 | Very low | 38.5 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 62% | 0.622 | 83% | 0.831 | S | S | * | * | | | trans | -166.5 | 144.1 | 150.8 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 36 | L | 36.9 | Very low | 38.9 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | | | trans | 61.6 | 94.7 | 146.3 | -66.2 | 160.7 | 0 | 0 | 0 | 119.7 | | |
| 37 | V | 42.8 | Very low | 39 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68 | 135.4 | 148.1 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 38 | P | 47.5 | Very low | 39.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 147 | 152.2 | -7.2 | 26.6 | 0 | 0 | 0 | 111.1 | | |
| 39 | F | 32.4 | Very low | 40.7 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 172.5 | -172.7 | -137.7 | -105.7 | 0 | 0 | 0 | 113.9 | G41 | F39-G41 PolarHBondContact O-N 3.28Š|
| 40 | L | 39.6 | Very low | 41.7 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.5 | -176.3 | -80.7 | 63.9 | 0 | 0 | 0 | 113.4 | | |
| 41 | G | 31 | Very low | 42.4 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -108 | 111 | 156 | 0 | 0 | 0 | 0 | 0 | 109.7 | F39 | F39-G41 PolarHBondContact O-N 3.28Š|
| 42 | A | 44.3 | Very low | 43.4 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -85.3 | 114.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 43 | A | 42.1 | Very low | 43.7 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -134.9 | 112.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | H45 | A43-H45 PolarHBondContact O-N 3.15Š|
| 44 | G | 49.9 | Very low | 44.2 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 94% | 0.938 | 80% | 0.799 | S | S | * | * | | | trans | -73.4 | 108 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 45 | H | 41.7 | Very low | 44.8 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | -121.8 | 119.5 | 171.3 | -162 | 62.5 | 0 | 0 | 0 | 110.1 | A43 Q47 | A43-H45 PolarHBondContact O-N 3.15Å; H45-Q47 PolarHBondContact O-N 3.36Å |
| 46 | Q | 42.6 | Very low | 45.4 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -66.2 | 102.3 | -178.3 | -77.8 | -80.7 | 45.9 | 0 | 0 | 110.5 | S48 | Q46-S48 PolarHBondContact O-N 2.76Š|
| 47 | Q | 40.3 | Very low | 46.3 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -72 | 91.6 | 171.8 | -73.5 | -172.5 | -14.7 | 0 | 0 | 110.1 | H45 | H45-Q47 PolarHBondContact O-N 3.36Š|
| 48 | S | 54.1 | Low | 47 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 129 | 157.1 | 54.3 | 0 | 0 | 0 | 0 | 108.5 | Q46 P50 | Q46-S48 PolarHBondContact O-N 2.76Å; S48-P50 WeakPolarHBondContact O-CD 3.41Å |
| 49 | P | 56.8 | Low | 47.7 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 125.7 | 178.1 | 26.2 | -32.8 | 0 | 0 | 0 | 109.2 | S51 | P49-S51 PolarHBondContact O-N 3.42Š|
| 50 | P | 51.4 | Low | 48.7 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126.6 | 176.2 | 26.4 | -33.2 | 0 | 0 | 0 | 109 | S48 S52 | S48-P50 WeakPolarHBondContact O-CD 3.41Å; P50-S52 PolarHBondContact O-N 3.38Å |
| 51 | S | 51.9 | Low | 49.6 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | | | trans | -67.9 | 103.9 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | P49 W53 | P49-S51 PolarHBondContact O-N 3.42Å; S51-W53 PolarHBondContact O-N 3.34Å; S51-W53 PolarHBondContact OG-NE1 2.84Å |
| 52 | S | 55.6 | Low | 51 | Low | 129 Ų | 129 | 125.3 Ų | 125.3 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 65.2 | -171.6 | -162.6 | 0 | 0 | 0 | 0 | 112.8 | P50 | P50-S52 PolarHBondContact O-N 3.38Š|
| 53 | W | 46.5 | Very low | 51.8 | Low | 213 Ų | 213 | 127.1 Ų | 127.1 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | -12.7 | 168.3 | 62 | -61.5 | 0 | 0 | 0 | 112.4 | S51 A55 | S51-W53 PolarHBondContact O-N 3.34Å; S51-W53 PolarHBondContact OG-NE1 2.84Å; W53-A55 PolarHBondContact O-N 3.36Å; W53-A55 VanDerWaalsContact O-N 3.16Å |
| 54 | K | 49.2 | Very low | 53.3 | Low | 188 Ų | 188 | 125.7 Ų | 125.7 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -76.4 | 92.4 | 159.6 | -71.3 | -173.4 | 175.8 | -175.9 | 0 | 109.3 | S56 | K54-S56 PolarHBondContact O-N 2.87Š|
| 55 | A | 49.3 | Very low | 54.8 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | | | trans | -56.1 | 126.9 | 163 | 0 | 0 | 0 | 0 | 0 | 108.8 | W53 C57 | W53-A55 PolarHBondContact O-N 3.36Å; W53-A55 VanDerWaalsContact O-N 3.16Å; A55-C57 VanDerWaalsContact C-N 3.31Å; A55-C57 PolarHBondContact O-N 3.12Å |
| 56 | S | 48.5 | Very low | 57 | Low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | | | trans | -78.4 | 83.7 | -179 | -165.6 | 0 | 0 | 0 | 0 | 109.7 | K54 S58 | K54-S56 PolarHBondContact O-N 2.87Å; S56-S58 PolarHBondContact O-N 2.86Å |
| 57 | C | 55.3 | Low | 59.3 | Low | 122 Ų | 122 | 116.7 Ų | 116.7 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | | | trans | -73.5 | 51.4 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | A55 | A55-C57 VanDerWaalsContact C-N 3.31Å; A55-C57 PolarHBondContact O-N 3.12Å |
| 58 | S | 58.2 | Low | 61.8 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | | | trans | -124.3 | 33.4 | -177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | S56 | S56-S58 PolarHBondContact O-N 2.86Š|
| 59 | G | 60.6 | Low | 63.8 | Low | 56 Ų | 56 | 110.7 Ų | 110.7 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -70.3 | 159.2 | 157 | 0 | 0 | 0 | 0 | 0 | 109.9 | L61 | G59-L61 PolarHBondContact O-N 3.04Š|
| 60 | P | 54.8 | Low | 65.6 | Low | 119 Ų | 119 | 112.5 Ų | 112.5 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | | | trans | -53.5 | 140.2 | 167.5 | -21.5 | 32.8 | 0 | 0 | 0 | 109.6 | V62 | P60-V62 PolarHBondContact O-N 2.92Š|
| 61 | L | 57.5 | Low | 67.7 | Low | 142 Ų | 142 | 112.2 Ų | 112.2 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | | | trans | -72.6 | 77.5 | 171.3 | -154.2 | -171.8 | 0 | 0 | 0 | 108.1 | G59 M63 | G59-L61 PolarHBondContact O-N 3.04Å; L61-M63 HydrophobicContact CD1-CE 4.41Å; L61-M63 HydrophobicContact CD2-CE 3.83Å; L61-M63 PolarHBondContact O-N 2.89Å |
| 62 | V | 59.9 | Low | 69.9 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 72% | 0.721 | 66% | 0.658 | S | S | * | * | | | trans | -54.4 | 115.3 | 165.5 | 178.5 | 0 | 0 | 0 | 0 | 105.6 | P60 A64 | P60-V62 PolarHBondContact O-N 2.92Å; V62-A64 PolarHBondContact O-N 2.93Å |
| 63 | M | 61.7 | Low | 71.9 | Confident | 146 Ų | 146 | 112 Ų | 112 | 72% | 0.719 | 64% | 0.639 | S | S | * | * | | | trans | -51 | 115 | 179 | -63 | -82 | 83.1 | 0 | 0 | 107.6 | L61 S65 | L61-M63 HydrophobicContact CD1-CE 4.41Å; L61-M63 HydrophobicContact CD2-CE 3.83Å; L61-M63 PolarHBondContact O-N 2.89Å; M63-S65 PolarHBondContact O-N 3.41Å; M63-S65 VanDerWaalsContact O-N 3.14Å |
| 64 | A | 73.8 | Confident | 74.3 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 51% | 0.512 | 63% | 0.625 | S | S | . | * | | | trans | -54.5 | 123.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | V62 V69 | V62-A64 PolarHBondContact O-N 2.93Å; A64-V69 HydrophobicContact CB-CG2 4.03Å |
| 65 | S | 81.1 | Confident | 76.6 | Confident | 43 Ų | 43 | 104.1 Ų | 104.1 | 30% | 0.301 | 62% | 0.615 | S | S | . | * | | | trans | -63.1 | 150.1 | -171.4 | 71.7 | 0 | 0 | 0 | 0 | 109.5 | M63 S67 D68 V69 | M63-S65 PolarHBondContact O-N 3.41Å; M63-S65 VanDerWaalsContact O-N 3.14Å; S65-S67 WeakPolarHBondContact CB-OG 3.33Å; S65-S67 CarbonylContact O-C 3.55Å; S65-S67 PolarHBondContact O-N 3.1Å; S65-S67 PolarHBondContact OG-OG 2.88Å; S65-D68 WeakPolarHBondContact CB-OD2 3.3Å; S65-D68 PolarHBondContact N-OD2 2.82Å; S65-D68 VanDerWaalsContact N-OD2 3.08Å; S65-D68 WeakPolarHBondContact O-CA 3.33Å; S65-D68 WeakPolarHBondContact O-CB 3.2Å; S65-D68 PolarHBondContact O-N 3.21Å; S65-D68 PolarHBondContact OG-N 3.05Å; S65-D68 PolarHBondContact OG-OD2 3.28Å; S65-V69 PolarHBondContact O-N 2.66Å |
| 66 | D | 88.3 | Confident | 78.9 | Confident | 145 Ų | 145 | 103.4 Ų | 103.4 | 78% | 0.775 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.2 | -25.6 | 178.1 | -62.2 | -73.3 | 0 | 0 | 0 | 111.8 | K70 | D66-K70 WeakPolarHBondContact O-CB 3.3Å; D66-K70 PolarHBondContact O-N 2.87Å |
| 67 | S | 91.9 | Very high | 81.3 | Confident | 69 Ų | 69 | 102.6 Ų | 102.6 | 48% | 0.483 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.2 | -49.6 | 165.6 | 17.3 | 0 | 0 | 0 | 0 | 113.6 | S65 K70 M71 | S65-S67 WeakPolarHBondContact CB-OG 3.33Å; S65-S67 CarbonylContact O-C 3.55Å; S65-S67 PolarHBondContact O-N 3.1Å; S65-S67 PolarHBondContact OG-OG 2.88Å; S67-K70 PolarHBondContact O-N 3.23Å; S67-M71 WeakPolarHBondContact O-CB 3.33Å; S67-M71 VanDerWaalsContact O-CG 3.26Å; S67-M71 WeakPolarHBondContact O-CG 3.39Å; S67-M71 PolarHBondContact O-N 3.44Å |
| 68 | D | 92.3 | Very high | 83.3 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 42% | 0.422 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -43.9 | 179.7 | -58.1 | -48.9 | 0 | 0 | 0 | 111.5 | S65 K70 M71 L72 | S65-D68 WeakPolarHBondContact CB-OD2 3.3Å; S65-D68 PolarHBondContact N-OD2 2.82Å; S65-D68 VanDerWaalsContact N-OD2 3.08Å; S65-D68 WeakPolarHBondContact O-CA 3.33Å; S65-D68 WeakPolarHBondContact O-CB 3.2Å; S65-D68 PolarHBondContact O-N 3.21Å; S65-D68 PolarHBondContact OG-N 3.05Å; S65-D68 PolarHBondContact OG-OD2 3.28Å; D68-K70 VanDerWaalsContact C-N 3.34Å; D68-K70 PolarHBondContact O-N 3.47Å; D68-M71 PolarHBondContact O-N 2.9Å; D68-M71 WeakPolarHBondContact OD1-CE 3.27Å; D68-L72 WeakPolarHBondContact O-CB 3.15Å; D68-L72 PolarHBondContact O-N 2.91Å |
| 69 | V | 94.8 | Very high | 85.1 | Confident | 80 Ų | 80 | 98.6 Ų | 98.6 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.6 | -43.5 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | A64 S65 L72 L73 | A64-V69 HydrophobicContact CB-CG2 4.03Å; S65-V69 PolarHBondContact O-N 2.66Å; V69-L72 PolarHBondContact O-N 3.12Å; V69-L73 WeakPolarHBondContact O-CB 3.21Å; V69-L73 PolarHBondContact O-N 3.44Å |
| 70 | K | 94.5 | Very high | 86.9 | Confident | 156 Ų | 156 | 99.2 Ų | 99.2 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.9 | -35.1 | 176.4 | -166.9 | 173.3 | 69.8 | 174.5 | 0 | 112.8 | D66 S67 D68 N74 | D66-K70 WeakPolarHBondContact O-CB 3.3Å; D66-K70 PolarHBondContact O-N 2.87Å; S67-K70 PolarHBondContact O-N 3.23Å; D68-K70 VanDerWaalsContact C-N 3.34Å; D68-K70 PolarHBondContact O-N 3.47Å; K70-N74 WeakPolarHBondContact O-CB 3.27Å; K70-N74 PolarHBondContact O-N 3.28Å |
| 71 | M | 96.7 | Very high | 88.9 | Confident | 115 Ų | 115 | 97.3 Ų | 97.3 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 173.9 | -77.7 | -171.9 | -61.3 | 0 | 0 | 111.4 | S67 D68 N74 F75 | S67-M71 WeakPolarHBondContact O-CB 3.33Å; S67-M71 VanDerWaalsContact O-CG 3.26Å; S67-M71 WeakPolarHBondContact O-CG 3.39Å; S67-M71 PolarHBondContact O-N 3.44Å; D68-M71 PolarHBondContact O-N 2.9Å; D68-M71 WeakPolarHBondContact OD1-CE 3.27Å; M71-N74 PolarHBondContact O-N 3.32Å; M71-F75 WeakPolarHBondContact O-CB 3.38Å; M71-F75 PolarHBondContact O-N 2.9Å |
| 72 | L | 97.6 | Very high | 90.7 | Very high | 112 Ų | 112 | 96 Ų | 96 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -47.2 | 175.5 | 179.2 | 60.2 | 0 | 0 | 0 | 111.4 | D68 V69 N74 F75 V76 | D68-L72 WeakPolarHBondContact O-CB 3.15Å; D68-L72 PolarHBondContact O-N 2.91Å; V69-L72 PolarHBondContact O-N 3.12Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.39Å; L72-F75 PolarHBondContact O-N 3.17Å; L72-V76 HydrophobicContact CD1-CG2 4.34Å; L72-V76 WeakPolarHBondContact O-CG2 3.37Å; L72-V76 PolarHBondContact O-N 3.41Å |
| 73 | L | 97.1 | Very high | 92.3 | Very high | 99 Ų | 99 | 95.3 Ų | 95.3 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.9 | -177.2 | 60.7 | 0 | 0 | 0 | 111.8 | V69 V76 N77 | V69-L73 WeakPolarHBondContact O-CB 3.21Å; V69-L73 PolarHBondContact O-N 3.44Å; L73-V76 PolarHBondContact O-N 2.86Å; L73-N77 WeakPolarHBondContact O-CB 3.43Å; L73-N77 PolarHBondContact O-N 3.41Å; L73-N77 PolarHBondContact O-ND2 2.86Å |
| 74 | N | 97.7 | Very high | 93.8 | Very high | 93 Ų | 93 | 94.5 Ų | 94.5 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 173.9 | -176.4 | 55.1 | 0 | 0 | 0 | 112.1 | K70 M71 L72 N77 L78 | K70-N74 WeakPolarHBondContact O-CB 3.27Å; K70-N74 PolarHBondContact O-N 3.28Å; M71-N74 PolarHBondContact O-N 3.32Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.39Å; N74-N77 PolarHBondContact O-N 2.82Å; N74-L78 WeakPolarHBondContact O-CB 3.38Å; N74-L78 WeakPolarHBondContact O-CD1 3.48Å; N74-L78 WeakPolarHBondContact O-CG 3.45Å; N74-L78 PolarHBondContact O-N 3.3Å |
| 75 | F | 97.8 | Very high | 94.7 | Very high | 141 Ų | 141 | 93.7 Ų | 93.7 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 174.7 | 172.4 | -98 | 0 | 0 | 0 | 111.9 | M71 L72 N77 L78 A79 | M71-F75 WeakPolarHBondContact O-CB 3.38Å; M71-F75 PolarHBondContact O-N 2.9Å; L72-F75 PolarHBondContact O-N 3.17Å; F75-N77 PolarHBondContact O-N 3.18Å; F75-L78 PolarHBondContact O-N 3.16Å; F75-A79 WeakPolarHBondContact O-CB 3.32Å; F75-A79 PolarHBondContact O-N 3.33Å |
| 76 | V | 98 | Very high | 95.1 | Very high | 65 Ų | 65 | 94.7 Ų | 94.7 | 39% | 0.394 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L72 L73 A79 S80 | L72-V76 HydrophobicContact CD1-CG2 4.34Å; L72-V76 WeakPolarHBondContact O-CG2 3.37Å; L72-V76 PolarHBondContact O-N 3.41Å; L73-V76 PolarHBondContact O-N 2.86Å; V76-A79 PolarHBondContact O-N 3.26Å; V76-S80 VanDerWaalsContact O-CB 3.31Å; V76-S80 WeakPolarHBondContact O-CB 3.31Å; V76-S80 PolarHBondContact O-N 3.07Å; V76-S80 PolarHBondContact O-OG 2.91Å |
| 77 | N | 97.4 | Very high | 95.2 | Very high | 90 Ų | 90 | 93.2 Ų | 93.2 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.6 | -71.5 | -19.4 | 0 | 0 | 0 | 112.6 | L73 N74 F75 S81 | L73-N77 WeakPolarHBondContact O-CB 3.43Å; L73-N77 PolarHBondContact O-N 3.41Å; L73-N77 PolarHBondContact O-ND2 2.86Å; N74-N77 PolarHBondContact O-N 2.82Å; F75-N77 PolarHBondContact O-N 3.18Å; N77-S81 VanDerWaalsContact O-CB 3.24Å; N77-S81 WeakPolarHBondContact O-CB 3.37Å; N77-S81 PolarHBondContact O-N 2.83Å |
| 78 | L | 97.1 | Very high | 94.9 | Very high | 104 Ų | 104 | 95.4 Ų | 95.4 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 175.4 | -79.3 | 161.2 | 0 | 0 | 0 | 111.2 | N74 F75 S81 D82 | N74-L78 WeakPolarHBondContact O-CB 3.38Å; N74-L78 WeakPolarHBondContact O-CD1 3.48Å; N74-L78 WeakPolarHBondContact O-CG 3.45Å; N74-L78 PolarHBondContact O-N 3.3Å; F75-L78 PolarHBondContact O-N 3.16Å; L78-S81 PolarHBondContact O-N 3.1Å; L78-D82 PolarHBondContact O-N 2.96Å |
| 79 | A | 97.4 | Very high | 94 | Very high | 36 Ų | 36 | 100 Ų | 100 | 30% | 0.298 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F75 V76 S81 D82 I83 | F75-A79 WeakPolarHBondContact O-CB 3.32Å; F75-A79 PolarHBondContact O-N 3.33Å; V76-A79 PolarHBondContact O-N 3.26Å; A79-S81 VanDerWaalsContact C-N 3.34Å; A79-S81 PolarHBondContact O-N 3.29Å; A79-D82 PolarHBondContact O-N 2.81Å; A79-I83 WeakPolarHBondContact O-CB 3.45Å; A79-I83 WeakPolarHBondContact O-CD1 3.49Å; A79-I83 WeakPolarHBondContact O-CG1 3.4Å; A79-I83 PolarHBondContact O-N 2.84Å |
| 80 | S | 96.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 99.8 Ų | 99.8 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 174.9 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | V76 K84 | V76-S80 VanDerWaalsContact O-CB 3.31Å; V76-S80 WeakPolarHBondContact O-CB 3.31Å; V76-S80 PolarHBondContact O-N 3.07Å; V76-S80 PolarHBondContact O-OG 2.91Å; S80-K84 WeakPolarHBondContact O-CB 3.47Å; S80-K84 PolarHBondContact O-N 3.3Å |
| 81 | S | 96.9 | Very high | 92.1 | Very high | 78 Ų | 78 | 96.4 Ų | 96.4 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 176.5 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | N77 L78 A79 K84 A85 | N77-S81 VanDerWaalsContact O-CB 3.24Å; N77-S81 WeakPolarHBondContact O-CB 3.37Å; N77-S81 PolarHBondContact O-N 2.83Å; L78-S81 PolarHBondContact O-N 3.1Å; A79-S81 VanDerWaalsContact C-N 3.34Å; A79-S81 PolarHBondContact O-N 3.29Å; S81-K84 PolarHBondContact O-N 3.08Å; S81-A85 WeakPolarHBondContact O-CB 3.26Å; S81-A85 PolarHBondContact O-N 2.89Å |
| 82 | D | 95.6 | Very high | 91 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.6 | -45.2 | 178 | -170.3 | 54.4 | 0 | 0 | 0 | 111.9 | L78 A79 K84 A85 A86 | L78-D82 PolarHBondContact O-N 2.96Å; A79-D82 PolarHBondContact O-N 2.81Å; D82-K84 VanDerWaalsContact C-N 3.29Å; D82-K84 PolarHBondContact O-N 3.46Å; D82-A85 PolarHBondContact O-N 3.11Å; D82-A86 WeakPolarHBondContact O-CB 3.14Å; D82-A86 PolarHBondContact O-N 3.11Å |
| 83 | I | 93.9 | Very high | 89.9 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56.5 | -45.5 | 171.6 | -69.4 | 165 | 0 | 0 | 0 | 110.3 | A79 A86 L87 | A79-I83 WeakPolarHBondContact O-CB 3.45Å; A79-I83 WeakPolarHBondContact O-CD1 3.49Å; A79-I83 WeakPolarHBondContact O-CG1 3.4Å; A79-I83 PolarHBondContact O-N 2.84Å; I83-A86 PolarHBondContact O-N 3.45Å; I83-L87 HydrophobicContact CG2-CD1 3.86Å; I83-L87 HydrophobicContact CG2-CG 4.5Å; I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.3Å; I83-L87 PolarHBondContact O-N 3.38Å |
| 84 | K | 93.3 | Very high | 88.6 | Confident | 128 Ų | 128 | 102.6 Ų | 102.6 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -46.5 | 176.9 | -178.6 | 172.1 | 179.5 | 176.7 | 0 | 111.6 | S80 S81 D82 A86 L87 D88 | S80-K84 WeakPolarHBondContact O-CB 3.47Å; S80-K84 PolarHBondContact O-N 3.3Å; S81-K84 PolarHBondContact O-N 3.08Å; D82-K84 VanDerWaalsContact C-N 3.29Å; D82-K84 PolarHBondContact O-N 3.46Å; K84-A86 VanDerWaalsContact C-N 3.33Å; K84-A86 PolarHBondContact O-N 3.27Å; K84-L87 PolarHBondContact O-N 3.34Å; K84-D88 WeakPolarHBondContact CE-OD2 2.86Å; K84-D88 VanDerWaalsContact CG-OD2 3.24Å; K84-D88 WeakPolarHBondContact CG-OD2 3.48Å; K84-D88 VanDerWaalsContact O-CB 3.27Å; K84-D88 WeakPolarHBondContact O-CB 3.37Å; K84-D88 PolarHBondContact O-N 2.95Å |
| 85 | A | 93.2 | Very high | 87.5 | Confident | 46 Ų | 46 | 107.4 Ų | 107.4 | 38% | 0.38 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.3 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S81 D82 K89 | S81-A85 WeakPolarHBondContact O-CB 3.26Å; S81-A85 PolarHBondContact O-N 2.89Å; D82-A85 PolarHBondContact O-N 3.11Å; A85-K89 WeakPolarHBondContact O-CB 3.24Å; A85-K89 PolarHBondContact O-N 2.91Å; A85-K89 VanDerWaalsContact O-N 3.1Å |
| 86 | A | 89.8 | Confident | 86.6 | Confident | 63 Ų | 63 | 105.9 Ų | 105.9 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.2 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D82 I83 K84 S90 | D82-A86 WeakPolarHBondContact O-CB 3.14Å; D82-A86 PolarHBondContact O-N 3.11Å; I83-A86 PolarHBondContact O-N 3.45Å; K84-A86 VanDerWaalsContact C-N 3.33Å; K84-A86 PolarHBondContact O-N 3.27Å; A86-S90 WeakPolarHBondContact O-CA 3.27Å; A86-S90 VanDerWaalsContact O-CB 3.26Å; A86-S90 WeakPolarHBondContact O-CB 3.32Å; A86-S90 PolarHBondContact O-N 3.18Å |
| 87 | L | 89.3 | Confident | 86.1 | Confident | 115 Ų | 115 | 106.3 Ų | 106.3 | 60% | 0.602 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -86.2 | -53.2 | 176.7 | -67.4 | 173.9 | 0 | 0 | 0 | 112.3 | I83 K84 K89 S90 | I83-L87 HydrophobicContact CG2-CD1 3.86Å; I83-L87 HydrophobicContact CG2-CG 4.5Å; I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.3Å; I83-L87 PolarHBondContact O-N 3.38Å; K84-L87 PolarHBondContact O-N 3.34Å; L87-K89 PolarHBondContact O-N 2.8Å; L87-S90 VanDerWaalsContact O-CB 3.22Å; L87-S90 WeakPolarHBondContact O-CB 3.37Å; L87-S90 PolarHBondContact O-N 2.8Å; L87-S90 PolarHBondContact O-OG 2.6Å |
| 88 | D | 86.4 | Confident | 85.7 | Confident | 114 Ų | 114 | 105 Ų | 105 | 61% | 0.61 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.8 | -30.9 | -179.2 | -72.6 | -1.4 | 0 | 0 | 0 | 112.1 | K84 | K84-D88 WeakPolarHBondContact CE-OD2 2.86Å; K84-D88 VanDerWaalsContact CG-OD2 3.24Å; K84-D88 WeakPolarHBondContact CG-OD2 3.48Å; K84-D88 VanDerWaalsContact O-CB 3.27Å; K84-D88 WeakPolarHBondContact O-CB 3.37Å; K84-D88 PolarHBondContact O-N 2.95Å |
| 89 | K | 72.8 | Confident | 85.6 | Confident | 177 Ų | 177 | 107.4 Ų | 107.4 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 23.6 | 175.4 | -54 | -178.3 | -178.5 | 178.4 | 0 | 112.5 | A85 L87 A91 | A85-K89 WeakPolarHBondContact O-CB 3.24Å; A85-K89 PolarHBondContact O-N 2.91Å; A85-K89 VanDerWaalsContact O-N 3.1Å; L87-K89 PolarHBondContact O-N 2.8Å; K89-A91 PolarHBondContact O-N 3.01Å; K89-A91 VanDerWaalsContact O-N 3.13Å |
| 90 | S | 72.2 | Confident | 85.4 | Confident | 75 Ų | 75 | 114.9 Ų | 114.9 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 121.1 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | A86 L87 | A86-S90 WeakPolarHBondContact O-CA 3.27Å; A86-S90 VanDerWaalsContact O-CB 3.26Å; A86-S90 WeakPolarHBondContact O-CB 3.32Å; A86-S90 PolarHBondContact O-N 3.18Å; L87-S90 VanDerWaalsContact O-CB 3.22Å; L87-S90 WeakPolarHBondContact O-CB 3.37Å; L87-S90 PolarHBondContact O-N 2.8Å; L87-S90 PolarHBondContact O-OG 2.6Å |
| 91 | A | 77.4 | Confident | 85.2 | Confident | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 126.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K89 C93 | K89-A91 PolarHBondContact O-N 3.01Å; K89-A91 VanDerWaalsContact O-N 3.13Å; A91-C93 PolarHBondContact O-N 2.82Å |
| 92 | P | 74.4 | Confident | 85.1 | Confident | 115 Ų | 115 | 120.5 Ų | 120.5 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 119.8 | -174.2 | -31.5 | 35.2 | 0 | 0 | 0 | 111.4 | R94 | P92-R94 WeakPolarHBondContact O-CA 3.33Å; P92-R94 WeakPolarHBondContact O-CG 3.18Å; P92-R94 PolarHBondContact O-N 3.07Å |
| 93 | C | 73.9 | Confident | 85.1 | Confident | 96 Ų | 96 | 119.9 Ų | 119.9 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | | | trans | -53.8 | 104.7 | -169.1 | 179.2 | 0 | 0 | 0 | 0 | 110 | A91 R95 S96 | A91-C93 PolarHBondContact O-N 2.82Å; C93-R95 PolarHBondContact O-N 3.27Å; C93-S96 PolarHBondContact O-N 2.72Å |
| 94 | R | 69.1 | Low | 85.1 | Confident | 246 Ų | 246 | 120.3 Ų | 120.3 | 93% | 0.928 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 9.6 | -161.2 | -60.4 | -170.1 | 70.4 | -178.7 | 3.3 | 115.3 | P92 | P92-R94 WeakPolarHBondContact O-CA 3.33Å; P92-R94 WeakPolarHBondContact O-CG 3.18Å; P92-R94 PolarHBondContact O-N 3.07Å |
| 95 | R | 75.1 | Confident | 85.1 | Confident | 193 Ų | 193 | 120.3 Ų | 120.3 | 73% | 0.728 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | 46.6 | -176.4 | 60.3 | 173.3 | -152.3 | 78.6 | -6.8 | 112.4 | C93 V97 | C93-R95 PolarHBondContact O-N 3.27Å; R95-V97 PolarHBondContact O-N 2.95Å |
| 96 | S | 78.3 | Confident | 85.1 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 61% | 0.61 | S | S | * | * | | | trans | -64.3 | 78.6 | 159.9 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | C93 D98 | C93-S96 PolarHBondContact O-N 2.72Å; S96-D98 PolarHBondContact O-N 3.23Å |
| 97 | V | 86.9 | Confident | 85.3 | Confident | 74 Ų | 74 | 123.3 Ų | 123.3 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | | | trans | -67.4 | 120.9 | -177.5 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | R95 H99 Y102 | R95-V97 PolarHBondContact O-N 2.95Å; V97-H99 PolarHBondContact O-CD2 3.1Å; V97-H99 PolarHBondContact O-N 3.31Å; V97-Y102 HydrophobicContact CG1-CD2 4.47Å; V97-Y102 HydrophobicContact CG1-CG 4.36Å |
| 98 | D | 90.6 | Very high | 85.3 | Confident | 63 Ų | 63 | 125.1 Ų | 125.1 | 34% | 0.337 | 61% | 0.614 | S | S | . | * | | | trans | -60.3 | 106.1 | 169.6 | 178.6 | -31 | 0 | 0 | 0 | 109.3 | S96 R100 K101 Y102 | S96-D98 PolarHBondContact O-N 3.23Å; D98-R100 PolarHBondContact O-N 3.19Å; D98-R100 WeakPolarHBondContact OD1-CA 3.21Å; D98-R100 VanDerWaalsContact OD1-CB 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.3Å; D98-R100 PolarHBondContact OD1-N 2.83Å; D98-K101 HydrophobicContact CB-CB 3.99Å; D98-K101 HydrophobicContact CB-CD 4.04Å; D98-K101 HydrophobicContact CB-CG 4.11Å; D98-K101 PolarHBondContact O-N 3.25Å; D98-K101 PolarHBondContact OD1-N 3.02Å; D98-K101 WeakPolarHBondContact OD2-CD 3.36Å; D98-K101 WeakPolarHBondContact OD2-CE 3.24Å; D98-K101 WeakPolarHBondContact OD2-CG 3.48Å; D98-K101 IonicContact OD2-NZ 2.66Å; D98-K101 PolarHBondContact OD2-NZ 2.75Å; D98-Y102 WeakPolarHBondContact O-CB 3.31Å; D98-Y102 PolarHBondContact O-N 3.03Å |
| 99 | H | 94.1 | Very high | 85.3 | Confident | 155 Ų | 155 | 126.6 Ų | 126.6 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.2 | -30 | -177.4 | -66 | 171.2 | 0 | 0 | 0 | 112.5 | V97 L103 | V97-H99 PolarHBondContact O-CD2 3.1Å; V97-H99 PolarHBondContact O-N 3.31Å; H99-L103 VanDerWaalsContact O-CB 3.27Å; H99-L103 WeakPolarHBondContact O-CB 3.22Å; H99-L103 PolarHBondContact O-N 3.02Å |
| 100 | R | 92.9 | Very high | 85.8 | Confident | 193 Ų | 193 | 123.3 Ų | 123.3 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.3 | -48.5 | 175.8 | -178.2 | -177.7 | -69.8 | -148.8 | -0.6 | 109.9 | D98 Y102 L103 Q104 | D98-R100 PolarHBondContact O-N 3.19Å; D98-R100 WeakPolarHBondContact OD1-CA 3.21Å; D98-R100 VanDerWaalsContact OD1-CB 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.3Å; D98-R100 PolarHBondContact OD1-N 2.83Å; R100-Y102 VanDerWaalsContact C-N 3.34Å; R100-Y102 PolarHBondContact O-N 3.24Å; R100-L103 PolarHBondContact O-N 3.13Å; R100-Q104 VanDerWaalsContact O-CB 3.3Å; R100-Q104 WeakPolarHBondContact O-CB 3.26Å; R100-Q104 WeakPolarHBondContact O-CG 3.5Å; R100-Q104 PolarHBondContact O-N 2.81Å |
| 101 | K | 93.8 | Very high | 86 | Confident | 138 Ų | 138 | 123.3 Ų | 123.3 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.9 | -37 | 175.3 | -68.8 | -179.6 | -175.3 | 101.5 | 0 | 112 | D98 K105 | D98-K101 HydrophobicContact CB-CB 3.99Å; D98-K101 HydrophobicContact CB-CD 4.04Å; D98-K101 HydrophobicContact CB-CG 4.11Å; D98-K101 PolarHBondContact O-N 3.25Å; D98-K101 PolarHBondContact OD1-N 3.02Å; D98-K101 WeakPolarHBondContact OD2-CD 3.36Å; D98-K101 WeakPolarHBondContact OD2-CE 3.24Å; D98-K101 WeakPolarHBondContact OD2-CG 3.48Å; D98-K101 IonicContact OD2-NZ 2.66Å; D98-K101 PolarHBondContact OD2-NZ 2.75Å; K101-K105 VanDerWaalsContact O-CB 3.27Å; K101-K105 WeakPolarHBondContact O-CB 3.43Å; K101-K105 PolarHBondContact O-N 3.41Å |
| 102 | Y | 94.3 | Very high | 85.6 | Confident | 127 Ų | 127 | 124.9 Ų | 124.9 | 50% | 0.498 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -50.9 | 175.2 | 177.4 | -102.7 | 0 | 0 | 0 | 111.9 | V97 D98 R100 Q104 K105 Q106 | V97-Y102 HydrophobicContact CG1-CD2 4.47Å; V97-Y102 HydrophobicContact CG1-CG 4.36Å; D98-Y102 WeakPolarHBondContact O-CB 3.31Å; D98-Y102 PolarHBondContact O-N 3.03Å; R100-Y102 VanDerWaalsContact C-N 3.34Å; R100-Y102 PolarHBondContact O-N 3.24Å; Y102-Q104 PolarHBondContact O-N 3.41Å; Y102-K105 WeakPolarHBondContact O-CB 3.5Å; Y102-K105 PolarHBondContact O-N 3.39Å; Y102-K105 VanDerWaalsContact O-N 3.12Å; Y102-Q106 HydrophobicContact CD1-CG 4.39Å; Y102-Q106 HydrophobicContact CD2-CG 4.49Å; Y102-Q106 HydrophobicContact CE1-CG 3.93Å; Y102-Q106 HydrophobicContact CE2-CG 4.03Å; Y102-Q106 WeakPolarHBondContact O-CG 3.34Å; Y102-Q106 PolarHBondContact O-N 3.41Å; Y102-Q106 PolarHBondContact OH-NE2 2.96Å |
| 103 | L | 94.9 | Very high | 85.2 | Confident | 102 Ų | 102 | 126.4 Ų | 126.4 | 53% | 0.534 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.3 | -42.4 | 178.1 | -176.9 | 61.2 | 0 | 0 | 0 | 111.3 | H99 R100 K105 Q106 L107 | H99-L103 VanDerWaalsContact O-CB 3.27Å; H99-L103 WeakPolarHBondContact O-CB 3.22Å; H99-L103 PolarHBondContact O-N 3.02Å; R100-L103 PolarHBondContact O-N 3.13Å; L103-K105 VanDerWaalsContact C-N 3.34Å; L103-K105 PolarHBondContact O-N 2.84Å; L103-Q106 PolarHBondContact O-N 3.42Å; L103-L107 HydrophobicContact CD1-CD1 4.14Å; L103-L107 HydrophobicContact CD1-CG 4.13Å; L103-L107 HydrophobicContact CG-CD1 3.9Å; L103-L107 HydrophobicContact CG-CG 4.33Å; L103-L107 WeakPolarHBondContact O-CB 3.21Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.91Å |
| 104 | Q | 94.2 | Very high | 84.3 | Confident | 113 Ų | 113 | 128.8 Ų | 128.8 | 53% | 0.528 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.7 | -42.3 | 172 | -75.5 | 171.4 | -17.6 | 0 | 0 | 112.3 | R100 Y102 K108 | R100-Q104 VanDerWaalsContact O-CB 3.3Å; R100-Q104 WeakPolarHBondContact O-CB 3.26Å; R100-Q104 WeakPolarHBondContact O-CG 3.5Å; R100-Q104 PolarHBondContact O-N 2.81Å; Y102-Q104 PolarHBondContact O-N 3.41Å; Q104-K108 WeakPolarHBondContact O-CB 3.37Å; Q104-K108 PolarHBondContact O-N 3.25Å |
| 105 | K | 93 | Very high | 83.9 | Confident | 128 Ų | 128 | 121.5 Ų | 121.5 | 56% | 0.557 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.1 | -38.6 | 177.1 | -173.7 | 177.2 | -177.7 | 176 | 0 | 112.1 | K101 Y102 L103 R109 | K101-K105 VanDerWaalsContact O-CB 3.27Å; K101-K105 WeakPolarHBondContact O-CB 3.43Å; K101-K105 PolarHBondContact O-N 3.41Å; Y102-K105 WeakPolarHBondContact O-CB 3.5Å; Y102-K105 PolarHBondContact O-N 3.39Å; Y102-K105 VanDerWaalsContact O-N 3.12Å; L103-K105 VanDerWaalsContact C-N 3.34Å; L103-K105 PolarHBondContact O-N 2.84Å; K105-R109 WeakPolarHBondContact O-CB 3.33Å; K105-R109 VanDerWaalsContact O-CG 3.31Å; K105-R109 WeakPolarHBondContact O-CG 3.33Å; K105-R109 PolarHBondContact O-N 2.94Å; K105-R109 VanDerWaalsContact O-N 3.11Å |
| 106 | Q | 94 | Very high | 83 | Confident | 70 Ų | 70 | 122 Ų | 122 | 33% | 0.327 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70 | -49.1 | 175.5 | -67.1 | -64.3 | 13.1 | 0 | 0 | 111.4 | Y102 L103 K108 R109 F110 | Y102-Q106 HydrophobicContact CD1-CG 4.39Å; Y102-Q106 HydrophobicContact CD2-CG 4.49Å; Y102-Q106 HydrophobicContact CE1-CG 3.93Å; Y102-Q106 HydrophobicContact CE2-CG 4.03Å; Y102-Q106 WeakPolarHBondContact O-CG 3.34Å; Y102-Q106 PolarHBondContact O-N 3.41Å; Y102-Q106 PolarHBondContact OH-NE2 2.96Å; L103-Q106 PolarHBondContact O-N 3.42Å; Q106-K108 PolarHBondContact O-N 2.94Å; Q106-R109 CarbonylContact O-C 3.52Å; Q106-R109 PolarHBondContact O-N 2.85Å; Q106-R109 VanDerWaalsContact O-N 3.11Å; Q106-F110 WeakPolarHBondContact O-CB 3.36Å; Q106-F110 PolarHBondContact O-N 2.91Å |
| 107 | L | 93 | Very high | 81.8 | Confident | 102 Ų | 102 | 122.7 Ų | 122.7 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.1 | -42.3 | 176.9 | -70.6 | 173.5 | 0 | 0 | 0 | 112.1 | L103 R109 F110 S111 | L103-L107 HydrophobicContact CD1-CD1 4.14Å; L103-L107 HydrophobicContact CD1-CG 4.13Å; L103-L107 HydrophobicContact CG-CD1 3.9Å; L103-L107 HydrophobicContact CG-CG 4.33Å; L103-L107 WeakPolarHBondContact O-CB 3.21Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.91Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 2.83Å; L107-F110 PolarHBondContact O-N 3.37Å; L107-S111 PolarHBondContact O-N 3.49Å; L107-S111 PolarHBondContact O-OG 3.44Å |
| 108 | K | 89.9 | Confident | 80 | Confident | 153 Ų | 153 | 124.8 Ų | 124.8 | 67% | 0.665 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.6 | -35.9 | 174.7 | -174.5 | 171.1 | -177.7 | 172.7 | 0 | 112.4 | Q104 Q106 S111 Q112 | Q104-K108 WeakPolarHBondContact O-CB 3.37Å; Q104-K108 PolarHBondContact O-N 3.25Å; Q106-K108 PolarHBondContact O-N 2.94Å; K108-S111 PolarHBondContact O-OG 3.36Å; K108-Q112 WeakPolarHBondContact O-CB 3.31Å; K108-Q112 PolarHBondContact O-N 2.88Å |
| 109 | R | 87.1 | Confident | 78.4 | Confident | 146 Ų | 146 | 133.8 Ų | 133.8 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.2 | -29.4 | 173.2 | -78.5 | 178.3 | 163.4 | -156.8 | -8.1 | 113 | K105 Q106 L107 K113 | K105-R109 WeakPolarHBondContact O-CB 3.33Å; K105-R109 VanDerWaalsContact O-CG 3.31Å; K105-R109 WeakPolarHBondContact O-CG 3.33Å; K105-R109 PolarHBondContact O-N 2.94Å; K105-R109 VanDerWaalsContact O-N 3.11Å; Q106-R109 CarbonylContact O-C 3.52Å; Q106-R109 PolarHBondContact O-N 2.85Å; Q106-R109 VanDerWaalsContact O-N 3.11Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 2.83Å; R109-K113 VanDerWaalsContact O-CG 3.26Å; R109-K113 WeakPolarHBondContact O-CG 3.36Å; R109-K113 PolarHBondContact O-N 3.25Å |
| 110 | F | 83.1 | Confident | 75.9 | Confident | 107 Ų | 107 | 129.2 Ų | 129.2 | 47% | 0.469 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75 | -51.7 | 175.7 | -105.6 | -128.4 | 0 | 0 | 0 | 111.3 | Q106 L107 Q112 K113 Y114 | Q106-F110 WeakPolarHBondContact O-CB 3.36Å; Q106-F110 PolarHBondContact O-N 2.91Å; L107-F110 PolarHBondContact O-N 3.37Å; F110-Q112 VanDerWaalsContact C-N 3.29Å; F110-Q112 PolarHBondContact O-N 3.5Å; F110-K113 WeakPolarHBondContact O-CA 3.17Å; F110-K113 WeakPolarHBondContact O-CB 3.43Å; F110-K113 PolarHBondContact O-N 3.37Å; F110-Y114 HydrophobicContact CB-CE2 4.4Å; F110-Y114 AromaticContact CD1-CE2 3.65Å; F110-Y114 HydrophobicContact CD1-CE2 3.65Å; F110-Y114 HydrophobicContact CE1-CE2 4.17Å; F110-Y114 HydrophobicContact CG-CE2 4.25Å; F110-Y114 WeakPolarHBondContact O-CD2 3.35Å; F110-Y114 PolarHBondContact O-N 3.27Å |
| 111 | S | 75.8 | Confident | 73.5 | Confident | 75 Ų | 75 | 127.9 Ų | 127.9 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.9 | -39.5 | 178.6 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | L107 K108 K113 Y114 S115 | L107-S111 PolarHBondContact O-N 3.49Å; L107-S111 PolarHBondContact O-OG 3.44Å; K108-S111 PolarHBondContact O-OG 3.36Å; S111-K113 VanDerWaalsContact C-N 3.25Å; S111-K113 PolarHBondContact O-N 3.04Å; S111-Y114 PolarHBondContact O-N 2.88Å; S111-S115 WeakPolarHBondContact O-CB 3.42Å; S111-S115 PolarHBondContact O-N 2.87Å; S111-S115 PolarHBondContact O-OG 2.88Å |
| 112 | Q | 69.8 | Low | 71.2 | Confident | 118 Ų | 118 | 127.3 Ų | 127.3 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.7 | -21 | 174.7 | -167.3 | 175 | 25.9 | 0 | 0 | 113.8 | K108 F110 S115 | K108-Q112 WeakPolarHBondContact O-CB 3.31Å; K108-Q112 PolarHBondContact O-N 2.88Å; F110-Q112 VanDerWaalsContact C-N 3.29Å; F110-Q112 PolarHBondContact O-N 3.5Å; Q112-S115 PolarHBondContact O-OG 3.35Å |
| 113 | K | 65.8 | Low | 68.6 | Low | 146 Ų | 146 | 125.1 Ų | 125.1 | 64% | 0.635 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.8 | -42.6 | 170.8 | -78.9 | 175.7 | 174.9 | -165.1 | 0 | 111.8 | R109 F110 S111 R116 L117 | R109-K113 VanDerWaalsContact O-CG 3.26Å; R109-K113 WeakPolarHBondContact O-CG 3.36Å; R109-K113 PolarHBondContact O-N 3.25Å; F110-K113 WeakPolarHBondContact O-CA 3.17Å; F110-K113 WeakPolarHBondContact O-CB 3.43Å; F110-K113 PolarHBondContact O-N 3.37Å; S111-K113 VanDerWaalsContact C-N 3.25Å; S111-K113 PolarHBondContact O-N 3.04Å; K113-R116 CarbonylContact O-C 3.06Å; K113-R116 WeakPolarHBondContact O-CA 3.41Å; K113-R116 PolarHBondContact O-N 3.24Å; K113-L117 PolarHBondContact O-N 2.83Å |
| 114 | Y | 55.5 | Low | 66.3 | Low | 146 Ų | 146 | 131.9 Ų | 131.9 | 57% | 0.573 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.7 | -31.7 | 176.4 | -65.6 | -70.3 | 0 | 0 | 0 | 113 | F110 S111 R116 L117 | F110-Y114 HydrophobicContact CB-CE2 4.4Å; F110-Y114 AromaticContact CD1-CE2 3.65Å; F110-Y114 HydrophobicContact CD1-CE2 3.65Å; F110-Y114 HydrophobicContact CE1-CE2 4.17Å; F110-Y114 HydrophobicContact CG-CE2 4.25Å; F110-Y114 WeakPolarHBondContact O-CD2 3.35Å; F110-Y114 PolarHBondContact O-N 3.27Å; S111-Y114 PolarHBondContact O-N 2.88Å; Y114-R116 PolarHBondContact O-N 3.28Å; Y114-L117 WeakPolarHBondContact O-CG 3.17Å; Y114-L117 PolarHBondContact O-N 3.42Å; Y114-L117 VanDerWaalsContact O-N 3.16Å |
| 115 | S | 60.2 | Low | 63.6 | Low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -11.3 | 168.6 | 79 | 0 | 0 | 0 | 0 | 113.2 | S111 Q112 | S111-S115 WeakPolarHBondContact O-CB 3.42Å; S111-S115 PolarHBondContact O-N 2.87Å; S111-S115 PolarHBondContact O-OG 2.88Å; Q112-S115 PolarHBondContact O-OG 3.35Å |
| 116 | R | 56.8 | Low | 61.5 | Low | 203 Ų | 203 | 130.1 Ų | 130.1 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 36.8 | 169.9 | -68.6 | -166.7 | 176.3 | -137.1 | 1.3 | 111.6 | K113 Y114 | K113-R116 CarbonylContact O-C 3.06Å; K113-R116 WeakPolarHBondContact O-CA 3.41Å; K113-R116 PolarHBondContact O-N 3.24Å; Y114-R116 PolarHBondContact O-N 3.28Å |
| 117 | L | 52.4 | Low | 59.1 | Low | 123 Ų | 123 | 134.8 Ų | 134.8 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -49.9 | 134.3 | 148.5 | -80.1 | 167.5 | 0 | 0 | 0 | 108 | K113 Y114 R119 | K113-L117 PolarHBondContact O-N 2.83Å; Y114-L117 WeakPolarHBondContact O-CG 3.17Å; Y114-L117 PolarHBondContact O-N 3.42Å; Y114-L117 VanDerWaalsContact O-N 3.16Å; L117-R119 PolarHBondContact O-N 2.8Å |
| 118 | P | 49.1 | Very low | 56.7 | Low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | | | trans | -67 | 101.6 | 178.5 | 27 | -32.9 | 0 | 0 | 0 | 109.1 | G120 | P118-G120 PolarHBondContact O-N 2.96Š|
| 119 | R | 56.3 | Low | 54.4 | Low | 251 Ų | 251 | 136.2 Ų | 136.2 | 95% | 0.947 | 71% | 0.706 | S | S | * | * | | | trans | -71.7 | 70.9 | 165.9 | -176.6 | 172.2 | -77.9 | -132.2 | -3 | 108.2 | L117 | L117-R119 PolarHBondContact O-N 2.8Š|
| 120 | G | 42 | Very low | 52.6 | Low | 60 Ų | 60 | 137.8 Ų | 137.8 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | | | trans | -115.2 | 47.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P118 | P118-G120 PolarHBondContact O-N 2.96Š|
| 121 | L | 41.8 | Very low | 50.8 | Low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | | | trans | -110.3 | 118.3 | 153.2 | -71.3 | 179.6 | 0 | 0 | 0 | 107.1 | | |
| 122 | P | 45.8 | Very low | 49 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | -68.1 | 141.2 | 175.8 | 29 | -33.5 | 0 | 0 | 0 | 110 | | |
| 123 | G | 41 | Very low | 47.1 | Very low | 81 Ų | 81 | 146.6 Ų | 146.6 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | trans | -68.1 | 139 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 124 | R | 45.5 | Very low | 46.1 | Very low | 245 Ų | 245 | 144.9 Ų | 144.9 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -93.1 | 104 | 166.9 | -98.5 | -71.6 | -172.6 | -171.4 | 1.2 | 110.5 | | |
| 125 | A | 37.7 | Very low | 45.2 | Very low | 90 Ų | 90 | 146.8 Ų | 146.8 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | 63.1 | 161.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 126 | P | 49.3 | Very low | 43.9 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | trans | -112 | 148.5 | -178.2 | 38.8 | -28.8 | 0 | 0 | 0 | 114.7 | | |
| 127 | E | 43.4 | Very low | 43.2 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | 63.3 | 153.2 | 163.5 | -78.3 | -76.2 | -152 | 0 | 0 | 115.9 | Y129 | E127-Y129 PolarHBondContact OE2-N 3.37Š|
| 128 | P | 43.1 | Very low | 42.8 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | cis | -138.3 | 145.2 | 44.1 | 40.7 | -21.7 | 0 | 0 | 0 | 118.5 | | |
| 129 | Y | 41.3 | Very low | 42 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | | | | 44.8 | 114.1 | 129 | 173.7 | -91.1 | 0 | 0 | 0 | 118.2 | E127 K131 | E127-Y129 PolarHBondContact OE2-N 3.37Å; Y129-K131 HydrophobicContact CD2-CB 4.29Å; Y129-K131 HydrophobicContact CD2-CG 4.19Å; Y129-K131 HydrophobicContact CE1-CB 4.31Å; Y129-K131 HydrophobicContact CE2-CB 3.57Å; Y129-K131 HydrophobicContact CE2-CG 3.55Å |
| 130 | L | 48.1 | Very low | 41.1 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | | | trans | -128.3 | 87.9 | 155.4 | -75.9 | 178.5 | 0 | 0 | 0 | 111.3 | | |
| 131 | K | 46.9 | Very low | 41 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 70% | 0.704 | 81% | 0.811 | S | S | * | * | | | trans | -85.9 | 104.2 | 163.5 | -94.4 | -84.9 | -163.5 | 171.5 | 0 | 110.6 | Y129 | Y129-K131 HydrophobicContact CD2-CB 4.29Å; Y129-K131 HydrophobicContact CD2-CG 4.19Å; Y129-K131 HydrophobicContact CE1-CB 4.31Å; Y129-K131 HydrophobicContact CE2-CB 3.57Å; Y129-K131 HydrophobicContact CE2-CG 3.55Å |
| 132 | R | 36.3 | Very low | 40.8 | Very low | 249 Ų | 249 | 151.3 Ų | 151.3 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | | | trans | -164 | 142.4 | 141.2 | -138.8 | 165.3 | -76.5 | -153.4 | -1.3 | 108.9 | | |
| 133 | G | 30.5 | Very low | 40.6 | Very low | 74 Ų | 74 | 152.4 Ų | 152.4 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | cis | -123.1 | -166.8 | 0.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 134 | S | 44.4 | Very low | 40.2 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -118.4 | -169.4 | 166.5 | -168.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 135 | E | 37.7 | Very low | 39.9 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | 74.3 | 137.4 | 175.9 | -53.9 | 164 | 95.2 | 0 | 0 | 113.8 | | |
| 136 | D | 32.6 | Very low | 39.5 | Very low | 150 Ų | 150 | 150.5 Ų | 150.5 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | cis | -151.7 | 168.1 | -17.8 | -178.5 | 43.2 | 0 | 0 | 0 | 110.3 | | |
| 137 | R | 41.9 | Very low | 39.6 | Very low | 221 Ų | 221 | 150.3 Ų | 150.3 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -143.5 | 117.1 | 171.2 | 175 | -178.4 | -174.6 | -133.9 | 1.2 | 108.9 | | |
| 138 | P | 43.4 | Very low | 39 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | | | | -153.2 | 151.5 | 87 | 38.2 | -19.9 | 0 | 0 | 0 | 118.2 | | |
| 139 | G | 33.3 | Very low | 38.7 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | -132.9 | 123.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 140 | R | 37 | Very low | 38.5 | Very low | 227 Ų | 227 | 147 Ų | 147 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | -108.1 | 135.5 | 175.3 | -70.9 | -173.5 | 179.2 | -162.1 | 1.5 | 110.1 | | |
| 141 | L | 39.1 | Very low | 38.7 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 97% | 0.974 | 80% | 0.801 | S | S | * | * | | | trans | -128.9 | 158.1 | 137.1 | -75.5 | -179.9 | 0 | 0 | 0 | 108.3 | | |
| 142 | L | 38.6 | Very low | 38.1 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | -138.4 | 169.9 | -165.1 | -177.9 | 63.9 | 0 | 0 | 0 | 108.6 | | |
| 143 | L | 40.8 | Very low | 38 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | trans | 85.3 | 139.2 | 179.5 | -48.8 | 162.5 | 0 | 0 | 0 | 112.4 | | |
| 144 | D | 33.1 | Very low | 38.2 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | cis | -126.2 | 176.3 | 10.1 | -157.8 | 6.9 | 0 | 0 | 0 | 113.7 | | |
| 145 | L | 39.1 | Very low | 37.8 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -89.9 | 156.6 | -167 | -81.3 | 68.9 | 0 | 0 | 0 | 115.2 | | |
| 146 | G | 29.7 | Very low | 37.9 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -176.3 | 106.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 147 | P | 50.5 | Low | 38.4 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | | | trans | -82.5 | 170.9 | 178.1 | 39.2 | -38 | 0 | 0 | 0 | 110.9 | | |
| 148 | D | 31.6 | Very low | 38.2 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | | | cis | -146.6 | 161.3 | 40.9 | -85.1 | -60.8 | 0 | 0 | 0 | 115.8 | | |
| 149 | S | 38 | Very low | 38.1 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | 60.5 | 113.5 | 153.4 | -62.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 150 | S | 36.4 | Very low | 38.8 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -106.8 | -171.2 | 159.7 | -138 | 0 | 0 | 0 | 0 | 108.9 | | |
| 151 | P | 51.6 | Low | 38.9 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | cis | -137.2 | -177.9 | -0.9 | 42.4 | -24 | 0 | 0 | 0 | 116.3 | | |
| 152 | G | 34.9 | Very low | 39.1 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 132 | 119.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 153 | G | 33.8 | Very low | 38.6 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | cis | 86 | 109.7 | 26.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 154 | G | 35.8 | Very low | 38.6 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | cis | 135.3 | 113.7 | 9.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 155 | G | 35.4 | Very low | 39.4 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | | | trans | 154.5 | 115 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 156 | G | 40.4 | Very low | 39.1 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | -90.2 | 131.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 157 | C | 42.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -113.4 | 102.1 | -179.5 | -164.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 158 | K | 37.8 | Very low | 38.9 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | 20.9 | 118.5 | 142.2 | -67.4 | -72.1 | -174.7 | 169.4 | 0 | 119.3 | | |
| 159 | E | 40 | Very low | 39.2 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | | 30.9 | 120.5 | 114.3 | -172.2 | -176.9 | 175.4 | 0 | 0 | 118.1 | | |
| 160 | K | 49.9 | Very low | 39.1 | Very low | 201 Ų | 201 | 131.6 Ų | 131.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -149.2 | 125.1 | 150.4 | 30.8 | -153.4 | 164 | -162.4 | 0 | 109.7 | | |
| 161 | A | 37.7 | Very low | 39.1 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -93.9 | 161.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 162 | L | 43.4 | Very low | 38.1 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | 53.8 | 112.2 | 148.2 | -159.1 | 78.2 | 0 | 0 | 0 | 118.2 | | |
| 163 | R | 29.5 | Very low | 38.5 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | | -171 | 115.3 | 108.6 | -162 | 165.4 | -171.7 | 172.1 | 1 | 112 | | |
| 164 | N | 39.9 | Very low | 38.5 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -91 | 126.7 | 152.6 | 171.8 | -49.6 | 0 | 0 | 0 | 106.9 | Y166 | N164-Y166 PolarHBondContact OD1-N 3.47Š|
| 165 | P | 50.1 | Low | 38.4 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 62% | 0.617 | 77% | 0.772 | S | S | * | * | | | trans | -111.8 | 104.2 | 160.2 | 33.1 | -20.6 | 0 | 0 | 0 | 110.3 | R167 | P165-R167 PolarHBondContact O-N 3.4Š|
| 166 | Y | 32.2 | Very low | 38.2 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | | | trans | -39.1 | 118.2 | 148.9 | 167.9 | -90.9 | 0 | 0 | 0 | 109.9 | N164 E168 | N164-Y166 PolarHBondContact OD1-N 3.47Å; Y166-E168 HydrophobicContact CE1-CB 3.74Å; Y166-E168 HydrophobicContact CE1-CG 4.46Å; Y166-E168 VanDerWaalsContact CE1-OE2 3.3Å; Y166-E168 WeakPolarHBondContact CE1-OE2 3.33Å; Y166-E168 VanDerWaalsContact OH-CD 3.32Å; Y166-E168 PolarHBondContact OH-OE2 2.88Å |
| 167 | R | 37.7 | Very low | 38 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | trans | -112.3 | 110.3 | 163.8 | -160 | -170.2 | -150.3 | -77.8 | 3.2 | 108.4 | P165 E169 | P165-R167 PolarHBondContact O-N 3.4Å; R167-E169 IonicContact CZ-OE1 3.72Å; R167-E169 IonicContact NH1-OE1 3.1Å; R167-E169 PolarHBondContact NH1-OE1 3.44Å; R167-E169 VanDerWaalsContact NH1-OE1 3.1Å |
| 168 | E | 38.5 | Very low | 37.6 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 57% | 0.57 | 75% | 0.752 | S | S | * | * | | | trans | -71.2 | 127.3 | 165.6 | -164.3 | 167 | 152.4 | 0 | 0 | 108.1 | Y166 | Y166-E168 HydrophobicContact CE1-CB 3.74Å; Y166-E168 HydrophobicContact CE1-CG 4.46Å; Y166-E168 VanDerWaalsContact CE1-OE2 3.3Å; Y166-E168 WeakPolarHBondContact CE1-OE2 3.33Å; Y166-E168 VanDerWaalsContact OH-CD 3.32Å; Y166-E168 PolarHBondContact OH-OE2 2.88Å |
| 169 | E | 37.7 | Very low | 37.2 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -124 | 127.7 | 164.3 | -85.8 | -173.6 | 160.8 | 0 | 0 | 109.5 | R167 | R167-E169 IonicContact CZ-OE1 3.72Å; R167-E169 IonicContact NH1-OE1 3.1Å; R167-E169 PolarHBondContact NH1-OE1 3.44Å; R167-E169 VanDerWaalsContact NH1-OE1 3.1Å |
| 170 | C | 35.2 | Very low | 36.9 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 64% | 0.635 | 76% | 0.76 | S | S | * | * | | | trans | -91 | 144.9 | -163.8 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | A172 | C170-A172 PolarHBondContact O-N 2.86Š|
| 171 | L | 36.9 | Very low | 35.9 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | | | trans | 43.5 | 68.5 | 139.7 | -61.1 | 172.9 | 0 | 0 | 0 | 117 | | |
| 172 | A | 32 | Very low | 36.3 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | | | trans | -77.4 | 114.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | C170 | C170-A172 PolarHBondContact O-N 2.86Š|
| 173 | K | 41.4 | Very low | 36 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | trans | -102.1 | 156.7 | 172.9 | -176.6 | -178.4 | 175.4 | -170.4 | 0 | 107.5 | | |
| 174 | E | 34.7 | Very low | 36.5 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | 87.9 | 145.2 | -169.7 | -56.3 | -175.7 | 55.6 | 0 | 0 | 114.3 | | |
| 175 | Q | 32.9 | Very low | 36.8 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | | | cis | -145.6 | 159.3 | -12.1 | -124.4 | -173.3 | 80.8 | 0 | 0 | 111.1 | | |
| 176 | L | 31.3 | Very low | 36.8 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | trans | -93.5 | 130.1 | 177.8 | 167.2 | 68 | 0 | 0 | 0 | 110.8 | Q178 | L176-Q178 HydrophobicContact CD2-CB 4.15Å; L176-Q178 HydrophobicContact CG-CB 4.22Å |
| 177 | P | 36.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -97.5 | 120.6 | 148.1 | -15.2 | 32.6 | 0 | 0 | 0 | 111.2 | G179 | P177-G179 PolarHBondContact O-N 3.48Š|
| 178 | Q | 34.2 | Very low | 38.6 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | -91.7 | 94.3 | -174.1 | -173 | 175.3 | -86.5 | 0 | 0 | 111.5 | L176 | L176-Q178 HydrophobicContact CD2-CB 4.15Å; L176-Q178 HydrophobicContact CG-CB 4.22Å |
| 179 | G | 30.1 | Very low | 39.7 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | | | trans | -89.7 | 127 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | P177 | P177-G179 PolarHBondContact O-N 3.48Š|
| 180 | Q | 33.1 | Very low | 41.1 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | | | trans | -92.7 | 139.4 | -171.7 | -64.5 | 167.6 | -47.7 | 0 | 0 | 113 | | |
| 181 | H | 28.6 | Very low | 43.2 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | | | trans | -139 | 93.8 | 158.4 | -168.3 | -85.9 | 0 | 0 | 0 | 110.4 | E183 | H181-E183 VanDerWaalsContact CE1-CB 3.5Å; H181-E183 WeakPolarHBondContact CE1-CB 3.47Å; H181-E183 PolarHBondContact O-N 2.87Å |
| 182 | P | 46.8 | Very low | 44.9 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | | | trans | -90.5 | 77.7 | -175.6 | 35.8 | -33.4 | 0 | 0 | 0 | 111.5 | | |
| 183 | E | 37.4 | Very low | 46.8 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | | | trans | -124.2 | 120 | 173.7 | -164.8 | 164.1 | 118.7 | 0 | 0 | 113.3 | H181 A185 | H181-E183 VanDerWaalsContact CE1-CB 3.5Å; H181-E183 WeakPolarHBondContact CE1-CB 3.47Å; H181-E183 PolarHBondContact O-N 2.87Å; E183-A185 PolarHBondContact O-N 2.8Å |
| 184 | A | 40.1 | Very low | 48.4 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 65% | 0.653 | 70% | 0.701 | S | S | * | * | | | trans | 42.6 | 59.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q186 | A184-Q186 PolarHBondContact O-N 3.27Š|
| 185 | A | 46.7 | Very low | 50.8 | Low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | | | trans | -65.3 | 81.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110 | E183 | E183-A185 PolarHBondContact O-N 2.8Š|
| 186 | Q | 49.3 | Very low | 53.1 | Low | 146 Ų | 146 | 128.3 Ų | 128.3 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | | | trans | -45.4 | 125.2 | 179.8 | -76.5 | -80.3 | -5.4 | 0 | 0 | 111.1 | A184 G188 Q189 | A184-Q186 PolarHBondContact O-N 3.27Å; Q186-G188 PolarHBondContact O-N 3.23Å; Q186-Q189 PolarHBondContact O-N 2.93Å |
| 187 | P | 49.5 | Very low | 55.6 | Low | 135 Ų | 135 | 124.8 Ų | 124.8 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 74.7 | -176 | 29.8 | -35.4 | 0 | 0 | 0 | 111.2 | | |
| 188 | G | 58.5 | Low | 58 | Low | 36 Ų | 36 | 123.3 Ų | 123.3 | 37% | 0.371 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 178 | -23.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q186 V190 R195 | Q186-G188 PolarHBondContact O-N 3.23Å; G188-V190 PolarHBondContact O-N 3Å; G188-R195 PolarHBondContact O-NH2 3.04Å |
| 189 | Q | 61.2 | Low | 60.1 | Low | 181 Ų | 181 | 120 Ų | 120 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | | | trans | -77.6 | 19.8 | -176.5 | -143.3 | -176 | 64.5 | 0 | 0 | 115 | Q186 P191 | Q186-Q189 PolarHBondContact O-N 2.93Å; Q189-P191 VanDerWaalsContact O-CD 3.31Å; Q189-P191 WeakPolarHBondContact O-CD 3.46Å |
| 190 | V | 67.8 | Low | 62.5 | Low | 72 Ų | 72 | 120.4 Ų | 120.4 | 44% | 0.436 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -66.3 | 117.9 | 164.1 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | G188 K194 R195 | G188-V190 PolarHBondContact O-N 3Å; V190-K194 HydrophobicContact CG1-CB 3.6Å; V190-R195 HydrophobicContact CB-CG 4.09Å; V190-R195 HydrophobicContact CG1-CG 3.8Å; V190-R195 PolarHBondContact O-NE 2.73Å |
| 191 | P | 77.7 | Confident | 64.9 | Low | 82 Ų | 82 | 117.4 Ų | 117.4 | 53% | 0.532 | 64% | 0.64 | S | S | . | * | | | trans | -56.2 | 141.9 | 177.9 | -24.3 | 34.2 | 0 | 0 | 0 | 110.5 | Q189 R193 K194 R195 | Q189-P191 VanDerWaalsContact O-CD 3.31Å; Q189-P191 WeakPolarHBondContact O-CD 3.46Å; P191-R193 PolarHBondContact O-N 3.29Å; P191-K194 WeakPolarHBondContact O-CA 3.26Å; P191-K194 PolarHBondContact O-N 2.71Å; P191-R195 PolarHBondContact O-N 3.14Å |
| 192 | M | 72.7 | Confident | 67.4 | Low | 73 Ų | 73 | 116 Ų | 116 | 36% | 0.36 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -50.4 | -39.4 | -170.4 | -64.7 | -64.4 | -83.1 | 0 | 0 | 113.5 | K194 R195 L197 F201 W202 | M192-K194 PolarHBondContact O-N 2.96Å; M192-K194 VanDerWaalsContact O-N 3.14Å; M192-R195 WeakPolarHBondContact O-CB 3.47Å; M192-R195 PolarHBondContact O-N 2.78Å; M192-R195 VanDerWaalsContact SD-CZ 3.6Å; M192-L197 HydrophobicContact CB-CD1 4.31Å; M192-L197 HydrophobicContact CE-CD1 3.59Å; M192-L197 HydrophobicContact SD-CD1 4.32Å; M192-F201 HydrophobicContact CE-CE1 3.88Å; M192-F201 HydrophobicContact CE-CE2 4.06Å; M192-F201 HydrophobicContact CE-CZ 3.41Å; M192-F201 VanDerWaalsContact CE-CZ 3.41Å; M192-W202 HydrophobicContact CB-CH2 3.86Å; M192-W202 HydrophobicContact CB-CZ2 4.26Å; M192-W202 WeakPolarHBondContact O-CZ2 3.44Å |
| 193 | R | 72.3 | Confident | 69.1 | Low | 218 Ų | 218 | 115.3 Ų | 115.3 | 82% | 0.823 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -62.7 | -14 | 176.4 | -63.7 | -176.5 | -177.3 | 97.2 | 3.3 | 115.7 | P191 W202 | P191-R193 PolarHBondContact O-N 3.29Å; R193-W202 HydrophobicContact CB-CH2 4.26Å; R193-W202 HydrophobicContact CB-CZ2 4.41Å; R193-W202 HydrophobicContact CG-CH2 3.51Å; R193-W202 HydrophobicContact CG-CZ2 4.1Å; R193-W202 HydrophobicContact CG-CZ3 3.93Å |
| 194 | K | 75.7 | Confident | 71.3 | Confident | 170 Ų | 170 | 116 Ų | 116 | 74% | 0.739 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -106.7 | -1.1 | 175.5 | -67.6 | -169.2 | 176.4 | -170.9 | 0 | 112.9 | V190 P191 M192 | V190-K194 HydrophobicContact CG1-CB 3.6Å; P191-K194 WeakPolarHBondContact O-CA 3.26Å; P191-K194 PolarHBondContact O-N 2.71Å; M192-K194 PolarHBondContact O-N 2.96Å; M192-K194 VanDerWaalsContact O-N 3.14Å |
| 195 | R | 85.4 | Confident | 73.1 | Confident | 110 Ų | 110 | 117.8 Ų | 117.8 | 42% | 0.415 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -86.3 | 143.9 | 169.4 | -59.5 | -176.6 | -176.2 | -169.7 | -0.9 | 108.5 | G188 V190 P191 M192 L197 | G188-R195 PolarHBondContact O-NH2 3.04Å; V190-R195 HydrophobicContact CB-CG 4.09Å; V190-R195 HydrophobicContact CG1-CG 3.8Å; V190-R195 PolarHBondContact O-NE 2.73Å; P191-R195 PolarHBondContact O-N 3.14Å; M192-R195 WeakPolarHBondContact O-CB 3.47Å; M192-R195 PolarHBondContact O-N 2.78Å; M192-R195 VanDerWaalsContact SD-CZ 3.6Å; R195-L197 HydrophobicContact CB-CD1 4.27Å; R195-L197 HydrophobicContact CB-CD2 4.47Å; R195-L197 HydrophobicContact CB-CG 3.94Å; R195-L197 PolarHBondContact O-N 3Å |
| 196 | Q | 80.3 | Confident | 74.5 | Confident | 205 Ų | 205 | 122 Ų | 122 | 96% | 0.958 | 62% | 0.616 | S | S | * | * | | | trans | -76 | 70.1 | 174.5 | -65.6 | -172.8 | 73.9 | 0 | 0 | 110.4 | | |
| 197 | L | 84.3 | Confident | 75 | Confident | 53 Ų | 53 | 121.1 Ų | 121.1 | 28% | 0.277 | 62% | 0.623 | S | S | . | * | | | trans | -86.2 | 145.8 | 175.6 | -62.1 | 170.7 | 0 | 0 | 0 | 109.7 | M192 R195 F201 W202 | M192-L197 HydrophobicContact CB-CD1 4.31Å; M192-L197 HydrophobicContact CE-CD1 3.59Å; M192-L197 HydrophobicContact SD-CD1 4.32Å; R195-L197 HydrophobicContact CB-CD1 4.27Å; R195-L197 HydrophobicContact CB-CD2 4.47Å; R195-L197 HydrophobicContact CB-CG 3.94Å; R195-L197 PolarHBondContact O-N 3Å; L197-F201 HydrophobicContact CB-CB 4.06Å; L197-F201 HydrophobicContact CB-CD1 4.33Å; L197-F201 HydrophobicContact CB-CG 4.22Å; L197-F201 HydrophobicContact CD1-CD1 3.54Å; L197-F201 HydrophobicContact CD1-CD2 4.42Å; L197-F201 HydrophobicContact CD1-CE1 3.69Å; L197-F201 HydrophobicContact CD1-CG 3.95Å; L197-F201 HydrophobicContact CD1-CZ 4.21Å; L197-W202 HydrophobicContact CD1-CZ2 4.16Å |
| 198 | P | 87.3 | Confident | 75.1 | Confident | 87 Ų | 87 | 120.8 Ų | 120.8 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | | | trans | -53.2 | 149.4 | 174.3 | -26.5 | 35.2 | 0 | 0 | 0 | 112.3 | S200 F201 | P198-S200 PolarHBondContact O-N 2.77Å; P198-S200 VanDerWaalsContact O-N 3.12Å; P198-F201 VanDerWaalsContact O-CB 3.32Å; P198-F201 WeakPolarHBondContact O-CB 3.37Å; P198-F201 PolarHBondContact O-N 2.7Å |
| 199 | A | 77 | Confident | 74.8 | Confident | 85 Ų | 85 | 125.5 Ų | 125.5 | 70% | 0.702 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -55.9 | -32.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F201 W202 E203 | A199-F201 PolarHBondContact O-N 3.23Å; A199-W202 CarbonylContact O-C 3.56Å; A199-W202 WeakPolarHBondContact O-CA 3.33Å; A199-W202 PolarHBondContact O-N 3.01Å; A199-E203 PolarHBondContact O-N 3.08Å |
| 200 | S | 80.1 | Confident | 74.1 | Confident | 87 Ų | 87 | 121.1 Ų | 121.1 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -64.2 | -13.9 | 175.2 | 53 | 0 | 0 | 0 | 0 | 115 | P198 W202 | P198-S200 PolarHBondContact O-N 2.77Å; P198-S200 VanDerWaalsContact O-N 3.12Å; S200-W202 VanDerWaalsContact C-N 3.27Å |
| 201 | F | 84.6 | Confident | 72.9 | Confident | 107 Ų | 107 | 127.7 Ų | 127.7 | 47% | 0.469 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -74.4 | -20.3 | 168.4 | -171.6 | -90.3 | 0 | 0 | 0 | 112.4 | M192 L197 P198 A199 | M192-F201 HydrophobicContact CE-CE1 3.88Å; M192-F201 HydrophobicContact CE-CE2 4.06Å; M192-F201 HydrophobicContact CE-CZ 3.41Å; M192-F201 VanDerWaalsContact CE-CZ 3.41Å; L197-F201 HydrophobicContact CB-CB 4.06Å; L197-F201 HydrophobicContact CB-CD1 4.33Å; L197-F201 HydrophobicContact CB-CG 4.22Å; L197-F201 HydrophobicContact CD1-CD1 3.54Å; L197-F201 HydrophobicContact CD1-CD2 4.42Å; L197-F201 HydrophobicContact CD1-CE1 3.69Å; L197-F201 HydrophobicContact CD1-CG 3.95Å; L197-F201 HydrophobicContact CD1-CZ 4.21Å; P198-F201 VanDerWaalsContact O-CB 3.32Å; P198-F201 WeakPolarHBondContact O-CB 3.37Å; P198-F201 PolarHBondContact O-N 2.7Å; A199-F201 PolarHBondContact O-N 3.23Å |
| 202 | W | 81.9 | Confident | 71.4 | Confident | 122 Ų | 122 | 131.5 Ų | 131.5 | 46% | 0.462 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.2 | -9.5 | 178.3 | -55 | 108.3 | 0 | 0 | 0 | 113.2 | M192 R193 L197 A199 S200 E204 | M192-W202 HydrophobicContact CB-CH2 3.86Å; M192-W202 HydrophobicContact CB-CZ2 4.26Å; M192-W202 WeakPolarHBondContact O-CZ2 3.44Å; R193-W202 HydrophobicContact CB-CH2 4.26Å; R193-W202 HydrophobicContact CB-CZ2 4.41Å; R193-W202 HydrophobicContact CG-CH2 3.51Å; R193-W202 HydrophobicContact CG-CZ2 4.1Å; R193-W202 HydrophobicContact CG-CZ3 3.93Å; L197-W202 HydrophobicContact CD1-CZ2 4.16Å; A199-W202 CarbonylContact O-C 3.56Å; A199-W202 WeakPolarHBondContact O-CA 3.33Å; A199-W202 PolarHBondContact O-N 3.01Å; S200-W202 VanDerWaalsContact C-N 3.27Å; W202-E204 PolarHBondContact O-N 3.02Å |
| 203 | E | 82.2 | Confident | 70 | Confident | 118 Ų | 118 | 134.4 Ų | 134.4 | 55% | 0.551 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -69.2 | 107.9 | 168.3 | -171.6 | 168.8 | -174.4 | 0 | 0 | 108.7 | A199 | A199-E203 PolarHBondContact O-N 3.08Š|
| 204 | E | 82.5 | Confident | 68.5 | Low | 167 Ų | 167 | 127.4 Ų | 127.4 | 78% | 0.78 | 67% | 0.666 | S | S | * | * | | | trans | -57.5 | 128.9 | 171.8 | -175.8 | 171.1 | -161.9 | 0 | 0 | 108.7 | W202 R206 | W202-E204 PolarHBondContact O-N 3.02Å; E204-R206 PolarHBondContact O-N 3.14Å |
| 205 | P | 78.7 | Confident | 67 | Low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | | | trans | -59.5 | 109.3 | -176.3 | 23.1 | -33.4 | 0 | 0 | 0 | 109.2 | | |
| 206 | R | 75.4 | Confident | 64.8 | Low | 192 Ų | 192 | 130.9 Ų | 130.9 | 73% | 0.725 | 69% | 0.694 | S | S | * | * | | | trans | -39.8 | 128.3 | 177.7 | -67.2 | -75.8 | -155 | 110.6 | 9.8 | 109.1 | E204 T208 | E204-R206 PolarHBondContact O-N 3.14Å; R206-T208 PolarHBondContact O-N 2.96Å |
| 207 | P | 59.7 | Low | 62.7 | Low | 127 Ų | 127 | 124.6 Ų | 124.6 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | | | trans | -60.6 | 87.3 | 170.1 | -26.3 | 36.3 | 0 | 0 | 0 | 110.5 | H209 | P207-H209 PolarHBondContact O-N 3Š|
| 208 | T | 51.2 | Low | 60.5 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | | | trans | -67.7 | 109.2 | 178.6 | 36.8 | 0 | 0 | 0 | 0 | 108.3 | R206 | R206-T208 PolarHBondContact O-N 2.96Š|
| 209 | H | 52.9 | Low | 58.4 | Low | 134 Ų | 134 | 129.6 Ų | 129.6 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | | | trans | 64.5 | 86.2 | 171.2 | -159 | -78.3 | 0 | 0 | 0 | 113.8 | P207 Y211 | P207-H209 PolarHBondContact O-N 3Å; H209-Y211 PolarHBondContact O-N 3.02Å; H209-Y211 VanDerWaalsContact O-N 3.09Å |
| 210 | S | 46.2 | Very low | 56.4 | Low | 90 Ų | 90 | 129 Ų | 129 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | trans | -49.6 | 118.7 | 155.7 | 46.9 | 0 | 0 | 0 | 0 | 108.7 | H212 | S210-H212 PolarHBondContact O-CD2 3.23Å; S210-H212 PolarHBondContact O-N 2.9Å |
| 211 | Y | 43.4 | Very low | 54.7 | Low | 209 Ų | 209 | 131.2 Ų | 131.2 | 82% | 0.82 | 73% | 0.734 | S | S | * | * | | | trans | -62.1 | 102.6 | -176.2 | -74.8 | -90.7 | 0 | 0 | 0 | 110.6 | H209 V213 | H209-Y211 PolarHBondContact O-N 3.02Å; H209-Y211 VanDerWaalsContact O-N 3.09Å; Y211-V213 PolarHBondContact O-N 3.49Å |
| 212 | H | 45.1 | Very low | 52.6 | Low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | -64.7 | 90.3 | 158.4 | -74.9 | -96.6 | 0 | 0 | 0 | 107.6 | S210 G214 | S210-H212 PolarHBondContact O-CD2 3.23Å; S210-H212 PolarHBondContact O-N 2.9Å; H212-G214 PolarHBondContact O-N 2.9Å; H212-G214 VanDerWaalsContact O-N 3.13Å |
| 213 | V | 43.8 | Very low | 50.7 | Low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -66.9 | 108.5 | 168 | 178.3 | 0 | 0 | 0 | 0 | 106.4 | Y211 L215 | Y211-V213 PolarHBondContact O-N 3.49Å; V213-L215 PolarHBondContact O-N 2.85Å |
| 214 | G | 40 | Very low | 48.6 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | trans | -65.1 | 117.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H212 | H212-G214 PolarHBondContact O-N 2.9Å; H212-G214 VanDerWaalsContact O-N 3.13Å |
| 215 | L | 44.4 | Very low | 47 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -111 | 79.6 | 155.2 | -170.5 | 72.2 | 0 | 0 | 0 | 106.5 | V213 G217 | V213-L215 PolarHBondContact O-N 2.85Å; L215-G217 PolarHBondContact O-N 3.03Å |
| 216 | E | 39.9 | Very low | 45.4 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -63.4 | 127.5 | 175.2 | -102 | -59.3 | 163.9 | 0 | 0 | 109.7 | | |
| 217 | G | 36.9 | Very low | 43.6 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -167.4 | 8.4 | -149.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L215 | L215-G217 PolarHBondContact O-N 3.03Š|
| 218 | G | 36.8 | Very low | 43.1 | Very low | 58 Ų | 58 | 137.9 Ų | 137.9 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | | | trans | 100.6 | 144.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 219 | L | 43.8 | Very low | 42.5 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 97% | 0.974 | 77% | 0.771 | S | S | * | * | | | trans | 70.4 | 110.6 | 155.8 | -51.1 | -178.1 | 0 | 0 | 0 | 119.4 | | |
| 220 | G | 34.3 | Very low | 42.4 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 131 | 96.1 | 140.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 221 | P | 45.8 | Very low | 42.9 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | trans | -78 | 128.1 | 161.2 | 32.1 | -30.9 | 0 | 0 | 0 | 110.2 | | |
| 222 | R | 39.9 | Very low | 42.7 | Very low | 228 Ų | 228 | 140.1 Ų | 140.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -151.6 | 110.8 | 166.3 | -164.9 | -170 | -179.7 | -73.8 | 3.6 | 112.7 | | |
| 223 | E | 42.7 | Very low | 42.2 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -46.3 | 146.4 | 169 | -111.6 | 68.5 | -176.3 | 0 | 0 | 114.7 | | |
| 224 | G | 37.2 | Very low | 41.9 | Very low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | -156.1 | 125.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 225 | P | 48.6 | Very low | 41.6 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -81.4 | 162.3 | -168.7 | 32.4 | -36.7 | 0 | 0 | 0 | 114.1 | | |
| 226 | P | 45.7 | Very low | 41.5 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -67.5 | 144.4 | 176.9 | 28.6 | -35.6 | 0 | 0 | 0 | 112.7 | | |
| 227 | Y | 36.8 | Very low | 41.4 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 86% | 0.863 | 78% | 0.784 | S | S | * | * | | | trans | -93.7 | 109.7 | -178.1 | 177.5 | -102.4 | 0 | 0 | 0 | 112 | G229 | Y227-G229 PolarHBondContact O-N 3.17Š|
| 228 | E | 49.3 | Very low | 41.9 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | -77.3 | 108.2 | 177.6 | -97 | -69.6 | 173.2 | 0 | 0 | 112.6 | K230 | E228-K230 VanDerWaalsContact C-N 3.31Å; E228-K230 PolarHBondContact O-N 3.19Å |
| 229 | G | 39.6 | Very low | 41.9 | Very low | 60 Ų | 60 | 145.4 Ų | 145.4 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | | | trans | -83.7 | 48.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y227 | Y227-G229 PolarHBondContact O-N 3.17Š|
| 230 | K | 51.3 | Low | 41.3 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -77 | 123.4 | -170.6 | -165.5 | 173.3 | -171.8 | 171.3 | 0 | 113.7 | E228 | E228-K230 VanDerWaalsContact C-N 3.31Å; E228-K230 PolarHBondContact O-N 3.19Å |
| 231 | K | 55.9 | Low | 41.7 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | | | trans | -144.5 | 148.3 | 162.2 | 61.3 | -177.6 | 177.6 | -177.1 | 0 | 112.1 | | |
| 232 | N | 39.5 | Very low | 41.1 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -112 | -163.4 | -162.1 | 90.6 | -17.6 | 0 | 0 | 0 | 114.8 | | |
| 233 | C | 34.8 | Very low | 41.1 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | trans | 90.7 | 123.7 | -177.9 | -72.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 234 | K | 37.2 | Very low | 40.8 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | cis | -142.6 | 162 | -7.9 | -50.9 | -174.8 | -174.2 | -69.5 | 0 | 105.8 | | |
| 235 | G | 33 | Very low | 41.2 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | cis | 116.2 | 136.7 | 31.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 236 | L | 41.6 | Very low | 40.7 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 95% | 0.948 | 78% | 0.777 | S | S | * | * | | | trans | 91.5 | 80.8 | -167.6 | -55 | 177.3 | 0 | 0 | 0 | 116.3 | | |
| 237 | E | 39.1 | Very low | 40.9 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -92.5 | 158.3 | 132.2 | -115.5 | -71.1 | 91.4 | 0 | 0 | 105.9 | L239 | E237-L239 PolarHBondContact OE2-N 2.58Š|
| 238 | P | 47.8 | Very low | 40.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | | -150.5 | 171.2 | 65.6 | 40.7 | -21.3 | 0 | 0 | 0 | 118.9 | | |
| 239 | L | 35.1 | Very low | 40.1 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | 102 | 126.6 | 148.3 | -161 | 76.1 | 0 | 0 | 0 | 115.3 | E237 | E237-L239 PolarHBondContact OE2-N 2.58Š|
| 240 | G | 32 | Very low | 40.4 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | cis | -164.4 | -166.7 | 6.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 241 | P | 43.9 | Very low | 39.8 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -111.5 | 171.3 | -154.7 | 41 | -36.2 | 0 | 0 | 0 | 118 | | |
| 242 | E | 32.9 | Very low | 38.6 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | trans | 69.9 | 155.1 | 162.6 | -116.2 | -176.9 | 122.9 | 0 | 0 | 115.3 | | |
| 243 | I | 38.9 | Very low | 38.3 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | cis | -143.9 | 174 | 27.3 | -58.5 | 166.8 | 0 | 0 | 0 | 109.9 | | |
| 244 | V | 35.7 | Very low | 38.3 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | -113.3 | -147.9 | 178.1 | -125.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 245 | P | 47.5 | Very low | 38 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | cis | -133.9 | 149.1 | -19.2 | 21.4 | 3.5 | 0 | 0 | 0 | 117.1 | | |
| 246 | V | 37.9 | Very low | 38.6 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | trans | 74.1 | 174.6 | 137.5 | -178.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 247 | P | 48.3 | Very low | 38.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | | -132.9 | -179.8 | -74.4 | 42.7 | -26.2 | 0 | 0 | 0 | 116.4 | | |
| 248 | M | 33 | Very low | 38.4 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | -152 | 105.2 | 135.2 | -128 | -177.2 | -171.4 | 0 | 0 | 115.2 | | |
| 249 | S | 36.2 | Very low | 37.9 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | 36.4 | 152.4 | 127.6 | -80 | 0 | 0 | 0 | 0 | 124.7 | | |
| 250 | P | 47.3 | Very low | 38.1 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | | -143.4 | -166.5 | -126.1 | 33.9 | -8.8 | 0 | 0 | 0 | 116.7 | | |
| 251 | R | 37.5 | Very low | 38.5 | Very low | 237 Ų | 237 | 144 Ų | 144 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | trans | 85.9 | 160 | 158.1 | -56.4 | 177.8 | -170.8 | -150.9 | 1.8 | 118.2 | | |
| 252 | A | 31.1 | Very low | 38.4 | Very low | 86 Ų | 86 | 143.7 Ų | 143.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | cis | -176.9 | 136.3 | -36.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 253 | L | 33.5 | Very low | 38.4 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -171.3 | 129.1 | 153.2 | -129.6 | 60.9 | 0 | 0 | 0 | 105.9 | | |
| 254 | A | 34.4 | Very low | 38.4 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | | | cis | 73.1 | 123.2 | 36.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 255 | E | 32.1 | Very low | 38.8 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | cis | -133.2 | -161.4 | 1.9 | -69.2 | -166.6 | -92.8 | 0 | 0 | 110 | | |
| 256 | K | 44.4 | Very low | 38.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | cis | -147.7 | -177.7 | 17.9 | -93.6 | -62.1 | 175.1 | -162.2 | 0 | 112.5 | | |
| 257 | E | 32.7 | Very low | 38.8 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 152.5 | 175.8 | -166.3 | -169.9 | 164.8 | 0 | 0 | 117.1 | | |
| 258 | P | 43.3 | Very low | 38.4 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 120.7 | 174.3 | 34.6 | -33.2 | 0 | 0 | 0 | 114.6 | | |
| 259 | L | 37.3 | Very low | 38.9 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 127 | -179.7 | -155.4 | 74.9 | 0 | 0 | 0 | 113.2 | | |
| 260 | K | 40.1 | Very low | 39.5 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 138.8 | 172.8 | -71.9 | 172.1 | 173.2 | 171.1 | 0 | 112 | | |
| 261 | M | 39.9 | Very low | 39.4 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -175.5 | 164.2 | 132.8 | -96.2 | -75.4 | 99.4 | 0 | 0 | 110 | | |
| 262 | P | 41.9 | Very low | 40.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -116.6 | 166.6 | -155.7 | 42.4 | -35.5 | 0 | 0 | 0 | 116.5 | | |
| 263 | G | 34 | Very low | 40.7 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | 96.3 | 150.5 | 168 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 264 | V | 38.8 | Very low | 40.8 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | cis | -138.1 | 116.5 | -2.4 | 177.7 | 0 | 0 | 0 | 0 | 109 | L266 | V264-L266 PolarHBondContact O-N 2.87Å; V264-L266 VanDerWaalsContact O-N 3.12Å |
| 265 | S | 43.2 | Very low | 41.4 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -74.3 | 99.8 | 172.7 | -60 | 0 | 0 | 0 | 0 | 110.1 | V267 | S265-V267 VanDerWaalsContact C-N 3.26Å; S265-V267 PolarHBondContact O-N 3.07Å |
| 266 | L | 43.6 | Very low | 42.7 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -75.1 | 74.9 | -178.3 | -161.5 | 77.4 | 0 | 0 | 0 | 111.8 | V264 G268 | V264-L266 PolarHBondContact O-N 2.87Å; V264-L266 VanDerWaalsContact O-N 3.12Å; L266-G268 PolarHBondContact O-N 2.76Å |
| 267 | V | 41.8 | Very low | 43.1 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | | | trans | -71 | 92.9 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 110 | S265 R269 | S265-V267 VanDerWaalsContact C-N 3.26Å; S265-V267 PolarHBondContact O-N 3.07Å; V267-R269 HydrophobicContact CG1-CB 4.33Å; V267-R269 PolarHBondContact O-N 2.7Å |
| 268 | G | 39.4 | Very low | 43.7 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -69.3 | 68.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L266 V270 | L266-G268 PolarHBondContact O-N 2.76Å; G268-V270 PolarHBondContact O-N 3.06Å |
| 269 | R | 45.4 | Very low | 44.3 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | | | trans | -79.1 | 76.8 | -177.1 | -169.7 | -176.1 | -176.9 | -178 | 2.4 | 112.4 | V267 N271 | V267-R269 HydrophobicContact CG1-CB 4.33Å; V267-R269 PolarHBondContact O-N 2.7Å; R269-N271 VanDerWaalsContact C-N 3.29Å; R269-N271 PolarHBondContact O-N 3.31Å |
| 270 | V | 48.6 | Very low | 44.7 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | | | trans | -82.6 | 65.9 | -179.5 | -163.7 | 0 | 0 | 0 | 0 | 112.2 | G268 A272 | G268-V270 PolarHBondContact O-N 3.06Å; V270-A272 PolarHBondContact O-N 3Å |
| 271 | N | 44 | Very low | 45.3 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -93 | 66.6 | 176.6 | -77 | 35.1 | 0 | 0 | 0 | 111.8 | R269 W273 | R269-N271 VanDerWaalsContact C-N 3.29Å; R269-N271 PolarHBondContact O-N 3.31Å; N271-W273 VanDerWaalsContact C-N 3.31Å; N271-W273 PolarHBondContact O-N 3.09Å |
| 272 | A | 51.8 | Low | 45.6 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -81 | 65.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V270 | V270-A272 PolarHBondContact O-N 3Š|
| 273 | W | 43.6 | Very low | 46.1 | Very low | 247 Ų | 247 | 135 Ų | 135 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | | | trans | -117.5 | 85.3 | 170.3 | -98.7 | 49 | 0 | 0 | 0 | 110.8 | N271 C275 | N271-W273 VanDerWaalsContact C-N 3.31Å; N271-W273 PolarHBondContact O-N 3.09Å; W273-C275 VanDerWaalsContact C-N 3.32Å; W273-C275 PolarHBondContact O-N 3.47Å |
| 274 | S | 36.9 | Very low | 46.9 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -76.3 | 79.1 | 174.3 | 55.3 | 0 | 0 | 0 | 0 | 111 | C276 | S274-C276 PolarHBondContact O-N 2.89Š|
| 275 | C | 46.9 | Very low | 47.2 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -71.9 | 108.9 | 171.5 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | W273 P277 | W273-C275 VanDerWaalsContact C-N 3.32Å; W273-C275 PolarHBondContact O-N 3.47Å; C275-P277 WeakPolarHBondContact O-CD 3.44Å |
| 276 | C | 58.3 | Low | 47.2 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | -69.6 | 119.5 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | S274 F278 | S274-C276 PolarHBondContact O-N 2.89Å; C276-F278 PolarHBondContact O-N 3.13Å |
| 277 | P | 52.8 | Low | 47.5 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | trans | -70.2 | 122.8 | 167.9 | 29.5 | -32.1 | 0 | 0 | 0 | 108.9 | C275 Q279 | C275-P277 WeakPolarHBondContact O-CD 3.44Å; P277-Q279 VanDerWaalsContact C-N 3.28Å; P277-Q279 PolarHBondContact O-N 3.37Å |
| 278 | F | 47 | Very low | 47.3 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | -69.7 | 84.6 | 173.7 | -79.5 | -87.3 | 0 | 0 | 0 | 110.4 | C276 Y280 | C276-F278 PolarHBondContact O-N 3.13Å; F278-Y280 VanDerWaalsContact C-N 3.33Å; F278-Y280 HydrophobicContact CB-CD2 4.46Å; F278-Y280 PolarHBondContact O-N 3.12Å |
| 279 | Q | 55.7 | Low | 48.3 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | -69.8 | 89 | 171.5 | -71.2 | 178.7 | -25.8 | 0 | 0 | 109.8 | P277 H281 | P277-Q279 VanDerWaalsContact C-N 3.28Å; P277-Q279 PolarHBondContact O-N 3.37Å; Q279-H281 PolarHBondContact O-N 2.91Å |
| 280 | Y | 45.3 | Very low | 47.8 | Very low | 216 Ų | 216 | 140.7 Ų | 140.7 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | -67.1 | 81.6 | 166.1 | -90.6 | -90.1 | 0 | 0 | 0 | 109.8 | F278 G282 | F278-Y280 VanDerWaalsContact C-N 3.33Å; F278-Y280 HydrophobicContact CB-CD2 4.46Å; F278-Y280 PolarHBondContact O-N 3.12Å; Y280-G282 PolarHBondContact O-N 3.44Å |
| 281 | H | 51.7 | Low | 47.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | | | trans | -67.8 | 101.4 | 168.1 | -85.2 | -81 | 0 | 0 | 0 | 109.7 | Q279 | Q279-H281 PolarHBondContact O-N 2.91Š|
| 282 | G | 47.1 | Very low | 46.9 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y280 P284 | Y280-G282 PolarHBondContact O-N 3.44Å; G282-P284 WeakPolarHBondContact O-CD 3.47Å |
| 283 | Q | 51.7 | Low | 46.4 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 124 | -177.1 | -66.2 | -78.3 | -78.4 | 0 | 0 | 111.2 | | |
| 284 | P | 51.6 | Low | 46.6 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72 | 150.3 | 161.6 | 31.1 | -32.3 | 0 | 0 | 0 | 110.3 | G282 | G282-P284 WeakPolarHBondContact O-CD 3.47Š|
| 285 | I | 45.3 | Very low | 46.9 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 149.6 | -173.5 | -66.8 | 156.8 | 0 | 0 | 0 | 111.5 | P287 | I285-P287 WeakPolarHBondContact O-CD 3.32Š|
| 286 | Y | 42.2 | Very low | 46.1 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 135.3 | 178.1 | -142.2 | -96 | 0 | 0 | 0 | 112.8 | | |
| 287 | P | 50.7 | Low | 45.7 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -130.4 | 153.9 | 130.4 | 37.9 | -31.1 | 0 | 0 | 0 | 112.5 | I285 | I285-P287 WeakPolarHBondContact O-CD 3.32Š|
| 288 | G | 38 | Very low | 45.1 | Very low | 58 Ų | 58 | 141.3 Ų | 141.3 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | | | trans | -160 | -168.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 289 | P | 59.5 | Low | 45.3 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | cis | -121 | 168.7 | -6.3 | 40.5 | -28.9 | 0 | 0 | 0 | 112.6 | | |
| 290 | L | 35.6 | Very low | 44.6 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | | | trans | -179.8 | 160.5 | 151.1 | -106.1 | 165.6 | 0 | 0 | 0 | 111.6 | | |
| 291 | G | 33.7 | Very low | 44.6 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | trans | 95.9 | 122 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 292 | A | 39.8 | Very low | 44.1 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | | | trans | -81.2 | 161.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 293 | L | 40.2 | Very low | 44 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | trans | -138.1 | 134.3 | 167.9 | -157.2 | 152.9 | 0 | 0 | 0 | 108.7 | | |
| 294 | P | 48.6 | Very low | 43.4 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | | | trans | -74.9 | 164.1 | -169.2 | 29.3 | -36.5 | 0 | 0 | 0 | 114.8 | | |
| 295 | Q | 43.8 | Very low | 42.5 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | | | trans | -83.9 | 155.8 | -175.7 | -59.8 | -174.2 | 0.4 | 0 | 0 | 113.3 | | |
| 296 | S | 30.1 | Very low | 42.6 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | -143.2 | 145.3 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 297 | P | 49.7 | Very low | 42.1 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | trans | -122 | 107.2 | -150.7 | 35 | -17.8 | 0 | 0 | 0 | 115.2 | | |
| 298 | V | 40.4 | Very low | 41.9 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -143 | 131.6 | 158.6 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 299 | P | 51.3 | Low | 41.7 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | | | trans | -99 | 169.4 | -171.8 | 37.6 | -36.6 | 0 | 0 | 0 | 116.2 | | |
| 300 | S | 41.3 | Very low | 40.5 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | 69.9 | 94.7 | 155.8 | 61 | 0 | 0 | 0 | 0 | 120.7 | | |
| 301 | L | 44.7 | Very low | 41.1 | Very low | 186 Ų | 186 | 140 Ų | 140 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | | | | -162.7 | 113.8 | 112.9 | -107.7 | 158.6 | 0 | 0 | 0 | 108.1 | | |
| 302 | G | 41.3 | Very low | 41.7 | Very low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | | | trans | -115.7 | 146.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 303 | L | 43.7 | Very low | 41.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | trans | -165.6 | 87 | 158.8 | -112.3 | 165.7 | 0 | 0 | 0 | 112.2 | | |
| 304 | W | 39.1 | Very low | 41.9 | Very low | 231 Ų | 231 | 143.9 Ų | 143.9 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | | | trans | 172.9 | 105.7 | 130.2 | 60.3 | -20.6 | 0 | 0 | 0 | 111.5 | K306 | W304-K306 PolarHBondContact O-N 2.94Š|
| 305 | K | 34.7 | Very low | 41.8 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | | | trans | -80.4 | 102.3 | 175.5 | -174.7 | -174.2 | -178.6 | -173.9 | 0 | 109.2 | S307 | K305-S307 PolarHBondContact O-N 2.82Å; K305-S307 VanDerWaalsContact O-N 3.1Å |
| 306 | K | 47.4 | Very low | 42 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -63.9 | 108.2 | 164.2 | -101 | -175.5 | 173.3 | -179 | 0 | 108.7 | W304 | W304-K306 PolarHBondContact O-N 2.94Š|
| 307 | S | 31.7 | Very low | 42.8 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | | | trans | -92.9 | 138.9 | 167.1 | -160.7 | 0 | 0 | 0 | 0 | 109.4 | K305 | K305-S307 PolarHBondContact O-N 2.82Å; K305-S307 VanDerWaalsContact O-N 3.1Å |
| 308 | P | 44.9 | Very low | 42.1 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | | | trans | -75.4 | 155.5 | 173.7 | 32.1 | -34.9 | 0 | 0 | 0 | 112 | | |
| 309 | A | 35.2 | Very low | 42.1 | Very low | 90 Ų | 90 | 147.3 Ų | 147.3 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | | | trans | 33.8 | 120.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 310 | F | 34.3 | Very low | 41.7 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | | | trans | -123.8 | 126.7 | 135.5 | -92.6 | -79.3 | 0 | 0 | 0 | 108.7 | | |
| 311 | P | 47.2 | Very low | 41.6 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | | | trans | -91.4 | 122.2 | 177.4 | 33.2 | -30.3 | 0 | 0 | 0 | 111.4 | | |
| 312 | G | 46.2 | Very low | 41.8 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | 173.8 | 160.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L314 | G312-L314 PolarHBondContact O-N 3.31Š|
| 313 | E | 41.8 | Very low | 41.9 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 50.9 | 51 | 164.4 | -58 | -159.7 | 120.9 | 0 | 0 | 118.7 | | |
| 314 | L | 42.3 | Very low | 42.2 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -140.8 | 35.2 | 151.2 | -132.5 | 166.7 | 0 | 0 | 0 | 113.3 | G312 H316 | G312-L314 PolarHBondContact O-N 3.31Å; L314-H316 VanDerWaalsContact C-N 3.25Å; L314-H316 PolarHBondContact O-N 3.16Å |
| 315 | A | 46.4 | Very low | 42.6 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -82.8 | 10.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 316 | H | 49 | Very low | 43.5 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -134.4 | 42.6 | -162.3 | -64.3 | -37.1 | 0 | 0 | 0 | 115.8 | L314 | L314-H316 VanDerWaalsContact C-N 3.25Å; L314-H316 PolarHBondContact O-N 3.16Å |
| 317 | L | 45.1 | Very low | 43.7 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -153.7 | 15.2 | 153.9 | -139.7 | 71.1 | 0 | 0 | 0 | 117.9 | K319 | L317-K319 PolarHBondContact O-N 3.02Š|
| 318 | C | 35.6 | Very low | 44.7 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | | | trans | -90.1 | 90.5 | 160 | -95.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 319 | K | 41.3 | Very low | 45 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -76.5 | 119.3 | 155.5 | -114.7 | -166.9 | 176.7 | -170.4 | 0 | 107 | L317 | L317-K319 PolarHBondContact O-N 3.02Š|
| 320 | D | 42.3 | Very low | 46.4 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -65.7 | 146.7 | 175.2 | -146.7 | -19.2 | 0 | 0 | 0 | 110.5 | | |
| 321 | A | 39.7 | Very low | 47.5 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | | | trans | -158.1 | 89.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G323 | A321-G323 PolarHBondContact O-N 2.83Å; A321-G323 VanDerWaalsContact O-N 3.12Å |
| 322 | D | 48.6 | Very low | 48.5 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | | | trans | -50.2 | 117.2 | 169.9 | -80.6 | -65.5 | 0 | 0 | 0 | 110.6 | | |
| 323 | G | 44.2 | Very low | 49.5 | Very low | 50 Ų | 50 | 139.9 Ų | 139.9 | 52% | 0.515 | 77% | 0.774 | S | S | . | * | | | trans | 179.7 | 120.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A321 G325 | A321-G323 PolarHBondContact O-N 2.83Å; A321-G323 VanDerWaalsContact O-N 3.12Å; G323-G325 PolarHBondContact O-N 3.19Å |
| 324 | L | 49.8 | Very low | 51 | Low | 194 Ų | 194 | 137.8 Ų | 137.8 | 100% | 1.016 | 77% | 0.768 | S | S | * | * | | | trans | -73.5 | 67 | 173.4 | -174.1 | 61 | 0 | 0 | 0 | 110.3 | | |
| 325 | G | 47 | Very low | 52.3 | Low | 46 Ų | 46 | 138.4 Ų | 138.4 | 47% | 0.474 | 76% | 0.764 | S | S | . | * | | | trans | -125.5 | 139.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G323 K327 | G323-G325 PolarHBondContact O-N 3.19Å; G325-K327 PolarHBondContact O-N 2.86Å |
| 326 | Q | 52.7 | Low | 53.4 | Low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -63.2 | 128.3 | 177.6 | -69.1 | -179.7 | -11.9 | 0 | 0 | 110.8 | V328 | Q326-V328 VanDerWaalsContact C-N 3.34Å; Q326-V328 PolarHBondContact O-N 3.38Å |
| 327 | K | 52.7 | Low | 53.8 | Low | 170 Ų | 170 | 138.4 Ų | 138.4 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | trans | -76.4 | 81.9 | -179.3 | -37.4 | -60.2 | 179.1 | -177.3 | 0 | 109.6 | G325 C329 | G325-K327 PolarHBondContact O-N 2.86Å; K327-C329 VanDerWaalsContact C-N 3.28Å; K327-C329 PolarHBondContact O-N 3.06Å |
| 328 | V | 53 | Low | 54 | Low | 107 Ų | 107 | 136.6 Ų | 136.6 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | | | trans | -75.4 | 80.2 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | Q326 R330 | Q326-V328 VanDerWaalsContact C-N 3.34Å; Q326-V328 PolarHBondContact O-N 3.38Å; V328-R330 PolarHBondContact O-N 3.41Å |
| 329 | C | 50.1 | Low | 55.3 | Low | 116 Ų | 116 | 135.5 Ų | 135.5 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | | | trans | -61.7 | 96.4 | 173.2 | -72.6 | 0 | 0 | 0 | 0 | 110.7 | K327 P331 | K327-C329 VanDerWaalsContact C-N 3.28Å; K327-C329 PolarHBondContact O-N 3.06Å; C329-P331 WeakPolarHBondContact O-CD 3.47Å |
| 330 | R | 65.9 | Low | 56.3 | Low | 203 Ų | 203 | 135.1 Ų | 135.1 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | trans | -71.9 | 118.1 | 169.8 | -70.3 | -74.3 | -178.7 | 140.1 | -1.4 | 108.5 | V328 V332 | V328-R330 PolarHBondContact O-N 3.41Å; R330-V332 PolarHBondContact O-N 2.97Å |
| 331 | P | 56.5 | Low | 57.1 | Low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | trans | -71.3 | 94 | 172.9 | 28.9 | -33.4 | 0 | 0 | 0 | 109.3 | C329 V333 | C329-P331 WeakPolarHBondContact O-CD 3.47Å; P331-V333 PolarHBondContact O-N 2.85Å |
| 332 | V | 68.5 | Low | 58.3 | Low | 116 Ų | 116 | 134.4 Ų | 134.4 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | | | trans | -74.1 | 95.3 | 174.8 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | R330 L334 | R330-V332 PolarHBondContact O-N 2.97Å; V332-L334 HydrophobicContact CG1-CG 4.25Å; V332-L334 PolarHBondContact O-N 2.95Å |
| 333 | V | 66.5 | Low | 59 | Low | 114 Ų | 114 | 132.5 Ų | 132.5 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | | | trans | -72.5 | 84.4 | 172.9 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | P331 K335 | P331-V333 PolarHBondContact O-N 2.85Å; V333-K335 VanDerWaalsContact C-N 3.26Å; V333-K335 HydrophobicContact CG1-CG 4.17Å; V333-K335 PolarHBondContact O-N 3.27Å |
| 334 | L | 72.8 | Confident | 60.2 | Low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | -62.8 | 88.6 | 166.2 | -84.3 | 165.8 | 0 | 0 | 0 | 108.9 | V332 | V332-L334 HydrophobicContact CG1-CG 4.25Å; V332-L334 PolarHBondContact O-N 2.95Å |
| 335 | K | 71.6 | Confident | 60.8 | Low | 173 Ų | 173 | 130.6 Ų | 130.6 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 123.3 | 165.8 | -62 | 173.8 | -178.9 | 172.8 | 0 | 106.7 | V333 I337 | V333-K335 VanDerWaalsContact C-N 3.26Å; V333-K335 HydrophobicContact CG1-CG 4.17Å; V333-K335 PolarHBondContact O-N 3.27Å; K335-I337 PolarHBondContact O-N 3.12Å |
| 336 | P | 69.1 | Low | 61.7 | Low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136.5 | 169.7 | 25.4 | -33.1 | 0 | 0 | 0 | 108.5 | | |
| 337 | I | 57.2 | Low | 62.3 | Low | 137 Ų | 137 | 132.2 Ų | 132.2 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.1 | 172.6 | -64.4 | 169 | 0 | 0 | 0 | 106.7 | K335 T339 | K335-I337 PolarHBondContact O-N 3.12Å; I337-T339 HydrophobicContact CG2-CG2 4.31Å; I337-T339 PolarHBondContact O-N 3.02Å |
| 338 | P | 49.1 | Very low | 62.5 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -74.3 | 70.6 | 178.5 | 31.1 | -35.6 | 0 | 0 | 0 | 110.3 | K340 | P338-K340 PolarHBondContact O-N 2.97Š|
| 339 | T | 63.8 | Low | 62.5 | Low | 116 Ų | 116 | 135.3 Ų | 135.3 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.7 | 166.3 | 43.2 | 0 | 0 | 0 | 0 | 107.9 | I337 | I337-T339 HydrophobicContact CG2-CG2 4.31Å; I337-T339 PolarHBondContact O-N 3.02Å |
| 340 | K | 60.8 | Low | 63.1 | Low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.3 | 170.7 | -69.3 | -177.9 | 176.8 | -179.7 | 0 | 108 | P338 A342 | P338-K340 PolarHBondContact O-N 2.97Å; K340-A342 PolarHBondContact O-N 3.18Å |
| 341 | P | 60 | Low | 62.7 | Low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 133.4 | 163.9 | 27.1 | -32.8 | 0 | 0 | 0 | 108.1 | V343 | P341-V343 PolarHBondContact O-N 3.22Å; P341-V343 VanDerWaalsContact O-N 3.15Å |
| 342 | A | 64.6 | Low | 62.7 | Low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -66.5 | 113.6 | 172 | 0 | 0 | 0 | 0 | 0 | 108 | K340 P344 | K340-A342 PolarHBondContact O-N 3.18Å; A342-P344 WeakPolarHBondContact O-CD 3.36Å |
| 343 | V | 63.8 | Low | 61.7 | Low | 131 Ų | 131 | 138.8 Ų | 138.8 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 119.4 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | P341 | P341-V343 PolarHBondContact O-N 3.22Å; P341-V343 VanDerWaalsContact O-N 3.15Å |
| 344 | P | 68.1 | Low | 60.6 | Low | 100 Ų | 100 | 145.3 Ų | 145.3 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 147.9 | 175.1 | 28.3 | -34.2 | 0 | 0 | 0 | 109.8 | A342 | A342-P344 WeakPolarHBondContact O-CD 3.36Š|
| 345 | P | 63.7 | Low | 60 | Low | 103 Ų | 103 | 144.9 Ų | 144.9 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 142.6 | 177 | 26.4 | -34.3 | 0 | 0 | 0 | 110.4 | I347 | P345-I347 VanDerWaalsContact O-CG1 3.31Å; P345-I347 WeakPolarHBondContact O-CG1 3.49Å; P345-I347 PolarHBondContact O-N 3.49Å |
| 346 | P | 66.2 | Low | 59.4 | Low | 134 Ų | 134 | 143.4 Ų | 143.4 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -67.7 | 106.8 | -179.6 | 27.5 | -33.7 | 0 | 0 | 0 | 110 | | |
| 347 | I | 65.2 | Low | 58.9 | Low | 131 Ų | 131 | 144.7 Ų | 144.7 | 67% | 0.672 | 80% | 0.803 | S | S | * | * | | | trans | -85 | 130.2 | -178.8 | -29.6 | -178.4 | 0 | 0 | 0 | 109.3 | P345 | P345-I347 VanDerWaalsContact O-CG1 3.31Å; P345-I347 WeakPolarHBondContact O-CG1 3.49Å; P345-I347 PolarHBondContact O-N 3.49Å |
| 348 | F | 55.6 | Low | 59 | Low | 179 Ų | 179 | 145.2 Ų | 145.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | 62.6 | 94.4 | 175.8 | -54.4 | -65 | 0 | 0 | 0 | 117.3 | V350 | F348-V350 HydrophobicContact CB-CG2 4.14Å; F348-V350 HydrophobicContact CD1-CG2 3.84Å; F348-V350 HydrophobicContact CG-CG2 4.48Å |
| 349 | N | 54.4 | Low | 59.6 | Low | 164 Ų | 164 | 146.4 Ų | 146.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -99.4 | 86.2 | 147.4 | -174.2 | 26.1 | 0 | 0 | 0 | 108.4 | | |
| 350 | V | 62 | Low | 59.3 | Low | 104 Ų | 104 | 148.4 Ų | 148.4 | 63% | 0.63 | 81% | 0.814 | S | S | * | * | | | trans | -130.4 | 58.5 | -174.7 | -168 | 0 | 0 | 0 | 0 | 110.8 | F348 | F348-V350 HydrophobicContact CB-CG2 4.14Å; F348-V350 HydrophobicContact CD1-CG2 3.84Å; F348-V350 HydrophobicContact CG-CG2 4.48Å |
| 351 | F | 57.5 | Low | 59.2 | Low | 216 Ų | 216 | 145 Ų | 145 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | | | trans | -147.9 | 79.3 | 156.7 | -88.7 | -65.8 | 0 | 0 | 0 | 109.6 | | |
| 352 | G | 55.3 | Low | 59.1 | Low | 63 Ų | 63 | 147.4 Ų | 147.4 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | | | trans | -141.1 | 135.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 353 | Y | 47.6 | Very low | 58.7 | Low | 240 Ų | 240 | 151.4 Ų | 151.4 | 94% | 0.941 | 82% | 0.817 | S | S | * | * | | | trans | 68.3 | 81.7 | -162.9 | -56.8 | -79.8 | 0 | 0 | 0 | 115 | | |
| 354 | L | 44.8 | Very low | 58.2 | Low | 252 Ų | 252 | 153.3 Ų | 153.3 | 100% | 1.319 | 82% | 0.819 | S | S | * | * | | | | -142.4 | 0 | 116.3 | -101.6 | 167.2 | 0 | 0 | 0 | 108.2 | | |