| 1 | M | 44.7 | Very low | 49.3 | Very low | 220 Ų | 220 | 161 Ų | 161 | 100% | 1.084 | 82% | 0.817 | S | S | * | * | | | | 0 | 102.6 | 0 | -158.9 | 165.5 | 90.1 | 0 | 0 | 107.3 | | |
| 2 | V | 38.8 | Very low | 49.8 | Very low | 136 Ų | 136 | 164.5 Ų | 164.5 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | trans | -97.7 | 117.6 | -177.8 | 178.6 | 0 | 0 | 0 | 0 | 107.1 | I4 | V2-I4 HydrophobicContact CG1-CG1 4.46Š|
| 3 | I | 54.4 | Low | 49.7 | Very low | 112 Ų | 112 | 168.5 Ų | 168.5 | 57% | 0.574 | 83% | 0.831 | S | S | * | * | | | trans | -95.9 | 115.1 | 179.8 | -55.8 | 174.1 | 0 | 0 | 0 | 107.4 | F5 | I3-F5 HydrophobicContact CB-CE2 4.46Å; I3-F5 HydrophobicContact CG2-CD2 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.61Å; I3-F5 HydrophobicContact CG2-CZ 3.99Å |
| 4 | I | 55.7 | Low | 49 | Very low | 146 Ų | 146 | 161.1 Ų | 161.1 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | | | trans | -96.4 | 118.2 | 172.8 | -57.6 | 176.3 | 0 | 0 | 0 | 107.4 | V2 | V2-I4 HydrophobicContact CG1-CG1 4.46Š|
| 5 | F | 46.2 | Very low | 48.2 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | | | trans | -91.7 | 114.1 | 173.5 | -78.2 | -83.4 | 0 | 0 | 0 | 110.4 | I3 K7 | I3-F5 HydrophobicContact CB-CE2 4.46Å; I3-F5 HydrophobicContact CG2-CD2 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.61Å; I3-F5 HydrophobicContact CG2-CZ 3.99Å; F5-K7 PolarHBondContact O-N 3.24Å |
| 6 | S | 50.2 | Low | 48 | Very low | 110 Ų | 110 | 159 Ų | 159 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -76.4 | 107.8 | 170.9 | -41.6 | 0 | 0 | 0 | 0 | 109.5 | T8 | S6-T8 PolarHBondContact O-N 2.89Š|
| 7 | K | 56.7 | Low | 47.5 | Very low | 206 Ų | 206 | 158.8 Ų | 158.8 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | | | trans | -76.6 | 116.2 | 170.4 | -78.6 | -175.1 | 170.5 | 176.5 | 0 | 109.7 | F5 | F5-K7 PolarHBondContact O-N 3.24Š|
| 8 | T | 52.1 | Low | 47.1 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | | | trans | -72.6 | 125.1 | 167.7 | 39.1 | 0 | 0 | 0 | 0 | 109.4 | S6 E10 | S6-T8 PolarHBondContact O-N 2.89Å; T8-E10 PolarHBondContact O-N 3.16Å |
| 9 | L | 47.2 | Very low | 47 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | | | trans | -81.7 | 111.3 | 178.6 | -169.7 | 139 | 0 | 0 | 0 | 109.8 | K11 | L9-K11 PolarHBondContact O-N 3.37Š|
| 10 | E | 45.8 | Very low | 46.7 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | | | trans | -67.9 | 120 | 176.2 | -52.5 | 167.2 | -165.6 | 0 | 0 | 109.6 | T8 K12 | T8-E10 PolarHBondContact O-N 3.16Å; E10-K12 PolarHBondContact O-N 3.17Å |
| 11 | K | 51 | Low | 46.3 | Very low | 206 Ų | 206 | 155.1 Ų | 155.1 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | trans | -71.4 | 100.5 | 179.9 | -158.3 | 177.8 | -178.2 | -179.9 | 0 | 109.3 | L9 | L9-K11 PolarHBondContact O-N 3.37Š|
| 12 | K | 55.2 | Low | 46.1 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -65.3 | 132.1 | 173.1 | -83.3 | -176.2 | 175.8 | 177.9 | 0 | 111.2 | E10 | E10-K12 PolarHBondContact O-N 3.17Š|
| 13 | K | 48 | Very low | 46.6 | Very low | 217 Ų | 217 | 149.2 Ų | 149.2 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | | | trans | -80.2 | 137.8 | 174.7 | 179.3 | -178.7 | 178.6 | -169.6 | 0 | 110.5 | | |
| 14 | G | 40.6 | Very low | 46 | Very low | 65 Ų | 65 | 150.6 Ų | 150.6 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | | | trans | 129.3 | 135 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 15 | V | 36.4 | Very low | 45 | Very low | 139 Ų | 139 | 155.3 Ų | 155.3 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | cis | -155.6 | 157.1 | 18.1 | 157.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 16 | N | 45.3 | Very low | 44.6 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -41.7 | 140.2 | 179.6 | -54.8 | -69 | 0 | 0 | 0 | 115.1 | | |
| 17 | D | 39.5 | Very low | 44.1 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | | | trans | -150.7 | 119.7 | 143.7 | -113.8 | -25 | 0 | 0 | 0 | 113.2 | | |
| 18 | V | 40.9 | Very low | 43.2 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | | | trans | 36.7 | 116.9 | 146.8 | -174.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 19 | T | 44.6 | Very low | 42.5 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | -40.9 | 130.3 | 158.5 | -39.1 | 0 | 0 | 0 | 0 | 115 | | |
| 20 | S | 40.4 | Very low | 42.1 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | -146.8 | 125.8 | 145.4 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 21 | K | 38.2 | Very low | 41.7 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -70.2 | 140.2 | -168.6 | -61.7 | 175.8 | 173.7 | 179.5 | 0 | 112.4 | | |
| 22 | S | 41.6 | Very low | 41.3 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -70.9 | 152.5 | 154 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 23 | P | 49.1 | Very low | 40.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -125.1 | 120.9 | 131.8 | 32.9 | -26.6 | 0 | 0 | 0 | 112.2 | | |
| 24 | D | 41.5 | Very low | 39.9 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -46.2 | 138 | 152.1 | -161.7 | 2.9 | 0 | 0 | 0 | 111.8 | | |
| 25 | R | 35.4 | Very low | 40.4 | Very low | 245 Ų | 245 | 149.5 Ų | 149.5 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -165.1 | 104 | 156 | -109.5 | 168.9 | -168.6 | -151.1 | 1.1 | 110.9 | | |
| 26 | Q | 37.7 | Very low | 40.6 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 153.5 | 159.9 | -93.7 | -161.1 | -4.3 | 0 | 0 | 112.8 | | |
| 27 | P | 39.8 | Very low | 41 | Very low | 126 Ų | 126 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 125.8 | 177.4 | 31.7 | -31.2 | 0 | 0 | 0 | 110.9 | | |
| 28 | S | 37.9 | Very low | 41.7 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93 | 136.6 | 168 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 29 | D | 37.5 | Very low | 42.2 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 158.8 | -175.4 | -152.5 | -3.3 | 0 | 0 | 0 | 113.4 | | |
| 30 | L | 38.2 | Very low | 42.3 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | | | trans | 69.1 | 122.5 | 162.6 | -56.1 | 171.2 | 0 | 0 | 0 | 119.7 | | |
| 31 | H | 36.8 | Very low | 42.5 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 70% | 0.704 | 81% | 0.808 | S | S | * | * | | | | 154.3 | 103.2 | 96.2 | -159.2 | -89.4 | 0 | 0 | 0 | 112.3 | | |
| 32 | I | 42.4 | Very low | 42.7 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 61% | 0.61 | 81% | 0.806 | S | S | * | * | | | trans | 58.4 | 126.7 | 134.2 | -54.2 | -167 | 0 | 0 | 0 | 120.7 | | |
| 33 | M | 32.9 | Very low | 42.7 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | | | trans | 78.1 | 109.5 | 151.1 | -73.8 | 160.3 | 81.4 | 0 | 0 | 119.8 | | |
| 34 | S | 41.2 | Very low | 42.5 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | | -157.5 | 145.8 | 109.8 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 35 | R | 51.2 | Low | 42.8 | Very low | 256 Ų | 256 | 144.8 Ų | 144.8 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | | | trans | -68.8 | 132.7 | -173.1 | -64.9 | -178.1 | 169.9 | -172.6 | -2.9 | 111.3 | | |
| 36 | G | 40.6 | Very low | 43.2 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -151.1 | 110.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 37 | T | 53.3 | Low | 43.5 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -66.5 | 118.9 | -179.5 | 42.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 38 | T | 54.3 | Low | 44 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | | | trans | -144.2 | 133.3 | 148.3 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 39 | L | 52.3 | Low | 44.5 | Very low | 149 Ų | 149 | 144 Ų | 144 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -80.7 | 138 | -165.9 | -67.7 | 163.9 | 0 | 0 | 0 | 112.2 | | |
| 40 | F | 46.4 | Very low | 44.9 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | | | trans | 50.5 | 104.9 | 155.2 | -55.7 | -67.8 | 0 | 0 | 0 | 120.2 | | |
| 41 | S | 44.8 | Very low | 45.5 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -84.8 | 109.3 | 145.2 | -63 | 0 | 0 | 0 | 0 | 109.1 | | |
| 42 | C | 41.2 | Very low | 46 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | | | trans | -104.8 | 112.9 | 154.1 | -66.8 | 0 | 0 | 0 | 0 | 104.7 | | |
| 43 | G | 42.2 | Very low | 46.1 | Very low | 58 Ų | 58 | 153 Ų | 153 | 60% | 0.598 | 84% | 0.838 | S | S | * | * | | | | 84.3 | 78.3 | 57.8 | 0 | 0 | 0 | 0 | 0 | 107 | V45 | G43-V45 PolarHBondContact O-N 2.87Š|
| 44 | T | 45 | Very low | 46.7 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | | | trans | -51.6 | 106.2 | 166.9 | 20.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 45 | V | 48.3 | Very low | 46.7 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | | | trans | -107.7 | 134.6 | 166.6 | -67.2 | 0 | 0 | 0 | 0 | 108.5 | G43 | G43-V45 PolarHBondContact O-N 2.87Š|
| 46 | E | 42.6 | Very low | 46.1 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | trans | -49.7 | 130.2 | -174.2 | -68 | 156.1 | 142.5 | 0 | 0 | 112.4 | D48 | E46-D48 PolarHBondContact O-N 3.2Å; E46-D48 VanDerWaalsContact O-N 3.14Å |
| 47 | A | 44.5 | Very low | 45.9 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -85.2 | 61.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 48 | D | 50.8 | Low | 45.4 | Very low | 141 Ų | 141 | 147 Ų | 147 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | | | trans | -119.4 | 103.9 | 163.3 | -88.5 | -27.1 | 0 | 0 | 0 | 107.2 | E46 | E46-D48 PolarHBondContact O-N 3.2Å; E46-D48 VanDerWaalsContact O-N 3.14Å |
| 49 | R | 47.4 | Very low | 44.6 | Very low | 215 Ų | 215 | 147.4 Ų | 147.4 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | 161.2 | 69.7 | 157.7 | -86.5 | 166.9 | 98.1 | -88.3 | -15.6 | 110.6 | | |
| 50 | W | 47.3 | Very low | 44.1 | Very low | 253 Ų | 253 | 149.6 Ų | 149.6 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | | | trans | -113.8 | 59.1 | 159.5 | -87.5 | 85.3 | 0 | 0 | 0 | 109.7 | | |
| 51 | L | 51.1 | Low | 43.5 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | | | trans | -150.9 | 62.8 | 169.4 | -74.3 | 178.8 | 0 | 0 | 0 | 109.6 | | |
| 52 | D | 46.2 | Very low | 42.9 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 68% | 0.684 | 83% | 0.832 | S | S | * | * | | | trans | -165.1 | 63.2 | 157.4 | -145.8 | 7.7 | 0 | 0 | 0 | 114.2 | | |
| 53 | L | 44.8 | Very low | 42.9 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 98% | 0.984 | 83% | 0.827 | S | S | * | * | | | trans | -136.2 | 58.3 | 162.2 | -156.6 | 73.1 | 0 | 0 | 0 | 110.3 | | |
| 54 | G | 45.5 | Very low | 42.7 | Very low | 58 Ų | 58 | 155.4 Ų | 155.4 | 60% | 0.598 | 83% | 0.834 | S | S | * | * | | | trans | -152.6 | 55.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 55 | R | 41.7 | Very low | 42.7 | Very low | 237 Ų | 237 | 155 Ų | 155 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | | | trans | -170.3 | 84.7 | 168.1 | -101.3 | 156.2 | -143 | -86.6 | 6.9 | 110.7 | | |
| 56 | S | 38.2 | Very low | 42.2 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -158.5 | 83.9 | 157.1 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 57 | C | 37.2 | Very low | 41.9 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -160.5 | 99.2 | 156.2 | -93 | 0 | 0 | 0 | 0 | 106 | I59 | C57-I59 PolarHBondContact O-N 2.75Š|
| 58 | A | 42 | Very low | 41.9 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -75.2 | 109 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 59 | I | 36.7 | Very low | 41.7 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | | | trans | -128.1 | 123.1 | 166 | -74.2 | 174.1 | 0 | 0 | 0 | 107.1 | C57 Q61 | C57-I59 PolarHBondContact O-N 2.75Å; I59-Q61 PolarHBondContact O-N 3.15Å |
| 60 | Q | 41.8 | Very low | 41.7 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | -48.7 | 123.1 | 178.3 | -83.6 | 173.4 | -30.9 | 0 | 0 | 111.6 | | |
| 61 | Q | 34.2 | Very low | 41.7 | Very low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -91.4 | 115.5 | 165.1 | -73.1 | -178.1 | -12.8 | 0 | 0 | 109.1 | I59 | I59-Q61 PolarHBondContact O-N 3.15Š|
| 62 | K | 33.4 | Very low | 41.5 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -96.4 | 127.4 | 157.6 | -175.9 | 163.7 | 179.5 | 170.5 | 0 | 106.9 | | |
| 63 | A | 40.2 | Very low | 41.2 | Very low | 85 Ų | 85 | 147.1 Ų | 147.1 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | | | trans | -63.3 | 131.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 64 | T | 38.1 | Very low | 41 | Very low | 121 Ų | 121 | 144 Ų | 144 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | -154.9 | 95.2 | 151.5 | -38 | 0 | 0 | 0 | 0 | 109.9 | | |
| 65 | D | 45.2 | Very low | 41.1 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | | | trans | -40.5 | 121.1 | 148.9 | 28.1 | -53.8 | 0 | 0 | 0 | 112.2 | | |
| 66 | S | 37.5 | Very low | 41.2 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -169 | 136.8 | 149.7 | 41.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 67 | S | 37 | Very low | 41.2 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 54% | 0.538 | 80% | 0.798 | S | S | . | * | | | trans | -71.6 | 141.1 | -166.4 | -170 | 0 | 0 | 0 | 0 | 114 | E69 | S67-E69 PolarHBondContact O-N 2.99Å; S67-E69 VanDerWaalsContact O-N 3.12Å; S67-E69 VanDerWaalsContact OG-CG 3.3Å; S67-E69 WeakPolarHBondContact OG-CG 3.41Å; S67-E69 PolarHBondContact OG-OE1 2.95Å |
| 68 | L | 43.4 | Very low | 41.5 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 35.1 | -175.3 | -113 | 166.1 | 0 | 0 | 0 | 113.3 | | |
| 69 | E | 47.9 | Very low | 41.1 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -9.7 | -169.8 | -60.8 | 172.7 | -170.8 | 0 | 0 | 113.6 | S67 | S67-E69 PolarHBondContact O-N 2.99Å; S67-E69 VanDerWaalsContact O-N 3.12Å; S67-E69 VanDerWaalsContact OG-CG 3.3Å; S67-E69 WeakPolarHBondContact OG-CG 3.41Å; S67-E69 PolarHBondContact OG-OE1 2.95Å |
| 70 | S | 45.8 | Very low | 40.8 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -100.4 | 18.4 | -168.6 | -170.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 71 | L | 48.7 | Very low | 40.3 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -97.2 | -7.4 | -171.5 | -148.1 | 88.7 | 0 | 0 | 0 | 115.2 | | |
| 72 | W | 45.6 | Very low | 40.3 | Very low | 236 Ų | 236 | 135.8 Ų | 135.8 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -121.5 | 6.4 | -168.1 | -61.8 | 109.6 | 0 | 0 | 0 | 116 | | |
| 73 | D | 41.2 | Very low | 40.3 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -110.5 | 118.5 | 173.8 | -158.2 | 13.1 | 0 | 0 | 0 | 109.6 | | |
| 74 | V | 39.7 | Very low | 40 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | 146.7 | 99.2 | 155.1 | 170.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 75 | V | 48 | Very low | 39.9 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 132.1 | 160.2 | 169.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 76 | P | 44.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 122.8 | 168.6 | 27.1 | -14.7 | 0 | 0 | 0 | 112.1 | | |
| 77 | E | 37.5 | Very low | 39.5 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 161.8 | 163 | -86.5 | -75.7 | 116.9 | 0 | 0 | 112.2 | | |
| 78 | P | 43.1 | Very low | 39.8 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 129.9 | -168.8 | 34.2 | -27.4 | 0 | 0 | 0 | 113.5 | | |
| 79 | G | 32.9 | Very low | 40.1 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | 150.8 | 128.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 80 | G | 30.4 | Very low | 40.1 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | 118 | 109.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 81 | L | 31.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | | | trans | 23.6 | 137.7 | 138.6 | -89 | 73.5 | 0 | 0 | 0 | 118.2 | | |
| 82 | H | 33.8 | Very low | 40.4 | Very low | 144 Ų | 144 | 133 Ų | 133 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | | | cis | 149.4 | 110.5 | 26.8 | 162.5 | -99.9 | 0 | 0 | 0 | 106.1 | | |
| 83 | W | 34.7 | Very low | 40.8 | Very low | 223 Ų | 223 | 128.1 Ų | 128.1 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | 56.4 | 153.7 | 169.1 | -39.9 | 107 | 0 | 0 | 0 | 119 | | |
| 84 | A | 32.4 | Very low | 41.4 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | | | cis | -159.7 | 156.3 | 18.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 85 | K | 36.9 | Very low | 42.1 | Very low | 197 Ų | 197 | 121.3 Ų | 121.3 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | | | trans | 37.3 | 121.4 | 157.3 | -88.9 | -179.3 | 166.1 | -179.3 | 0 | 118.5 | | |
| 86 | E | 32.9 | Very low | 42.4 | Very low | 157 Ų | 157 | 120.6 Ų | 120.6 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | cis | -171.4 | 132.6 | 45.4 | -120 | -72.7 | 167 | 0 | 0 | 107.9 | | |
| 87 | P | 42 | Very low | 43 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | | | trans | -106 | 112 | 175.9 | 32.9 | -23.9 | 0 | 0 | 0 | 113.7 | | |
| 88 | G | 43.4 | Very low | 43.7 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | trans | -71 | 136.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 89 | S | 48.5 | Very low | 44 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 64.7 | 67.4 | 164.1 | -67.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 90 | T | 48.3 | Very low | 44.8 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | | | trans | -161.8 | 72.4 | 146.2 | 34.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 91 | T | 50.8 | Low | 45.7 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | | | trans | -119.5 | 12.9 | 179.7 | 48.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 92 | A | 50.4 | Low | 46.3 | Very low | 81 Ų | 81 | 127 Ų | 127 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -84.1 | -21 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 93 | I | 54.3 | Low | 46.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 68% | 0.677 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -109 | -19.2 | -169.9 | -56.1 | 176 | 0 | 0 | 0 | 112.6 | | |
| 94 | T | 53.8 | Low | 47.1 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 45% | 0.454 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -89.6 | -10.3 | -178.4 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 95 | S | 53.6 | Low | 47.8 | Very low | 60 Ų | 60 | 123.1 Ų | 123.1 | 42% | 0.42 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -74.3 | -41.3 | 171.1 | 52.4 | 0 | 0 | 0 | 0 | 112 | I97 R98 | S95-I97 PolarHBondContact O-N 2.9Å; S95-R98 PolarHBondContact O-N 3.25Å |
| 96 | L | 53.5 | Low | 47.8 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 62% | 0.618 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -63.2 | -26 | -178.5 | -70.5 | 167 | 0 | 0 | 0 | 113.7 | | |
| 97 | I | 57.7 | Low | 48.1 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 59% | 0.585 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -85.9 | -25.6 | -177.7 | -57 | 173.7 | 0 | 0 | 0 | 111.4 | S95 | S95-I97 PolarHBondContact O-N 2.9Å |
| 98 | R | 52.7 | Low | 47.9 | Very low | 190 Ų | 190 | 122 Ų | 122 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -76.1 | -25 | 178 | -70.9 | -173.3 | -164.8 | 164.1 | 5.2 | 113.4 | S95 L100 T101 | S95-R98 PolarHBondContact O-N 3.25Å; R98-L100 PolarHBondContact O-N 3.46Å; R98-T101 PolarHBondContact O-OG1 3.44Å |
| 99 | D | 48.6 | Very low | 47.6 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -5.4 | 178.8 | -64.5 | -17.2 | 0 | 0 | 0 | 112.9 | | |
| 100 | L | 50.8 | Low | 47.1 | Very low | 138 Ų | 138 | 122 Ų | 122 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -3 | 179.5 | -69.5 | 167.5 | 0 | 0 | 0 | 114 | R98 L102 | R98-L100 PolarHBondContact O-N 3.46Å; L100-L102 PolarHBondContact O-N 2.95Å |
| 101 | T | 48.4 | Very low | 46.6 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | trans | -78.6 | 84.8 | 174.1 | 12.6 | 0 | 0 | 0 | 0 | 111 | R98 G103 | R98-T101 PolarHBondContact O-OG1 3.44Å; T101-G103 PolarHBondContact O-N 3.38Å; T101-G103 VanDerWaalsContact O-N 3.07Å |
| 102 | L | 45.5 | Very low | 45.9 | Very low | 170 Ų | 170 | 124 Ų | 124 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | | | trans | -64.1 | 102.2 | 167.2 | -74.7 | 161.9 | 0 | 0 | 0 | 109.6 | L100 N104 | L100-L102 PolarHBondContact O-N 2.95Å; L102-N104 PolarHBondContact O-N 3.19Å |
| 103 | G | 40.6 | Very low | 45.6 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | trans | -67.4 | 96.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T101 T105 | T101-G103 PolarHBondContact O-N 3.38Å; T101-G103 VanDerWaalsContact O-N 3.07Å; G103-T105 PolarHBondContact O-N 3.38Å |
| 104 | N | 44.4 | Very low | 45.3 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | | | trans | -85.8 | 83.8 | 164.9 | -171.4 | 66.4 | 0 | 0 | 0 | 108.6 | L102 | L102-N104 PolarHBondContact O-N 3.19Š|
| 105 | T | 46.6 | Very low | 44.4 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | | | trans | -126.1 | 121.5 | 169.3 | -40 | 0 | 0 | 0 | 0 | 108.6 | G103 | G103-T105 PolarHBondContact O-N 3.38Š|
| 106 | G | 36.9 | Very low | 43.5 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -63.4 | 159.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 107 | M | 39.9 | Very low | 42.6 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | -43.9 | 136 | 163.5 | -55.3 | -165.9 | 77.5 | 0 | 0 | 111.8 | | |
| 108 | I | 38.3 | Very low | 41.5 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 92% | 0.923 | 78% | 0.778 | S | S | * | * | | | trans | 177.3 | 130.9 | 130.7 | -84.7 | 147.8 | 0 | 0 | 0 | 106.1 | | |
| 109 | G | 36.8 | Very low | 40.6 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | 129.8 | 82 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 110 | T | 38 | Very low | 40.2 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -61.6 | 160.8 | 163.4 | 42.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 111 | H | 37.3 | Very low | 39.6 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | | | trans | 90.7 | 102.1 | 166.5 | -50.4 | -79.4 | 0 | 0 | 0 | 117.4 | | |
| 112 | A | 36.8 | Very low | 39 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | | 173.1 | 119.1 | 110.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 113 | T | 44.2 | Very low | 38.7 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -75.3 | 141.7 | 159.2 | -42.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 114 | P | 47.8 | Very low | 39 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | | -137.4 | 143.2 | 113.2 | 31.3 | -16.6 | 0 | 0 | 0 | 112.9 | | |
| 115 | A | 35.3 | Very low | 39.1 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | trans | -67.2 | 136.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 116 | Q | 33.6 | Very low | 38.9 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -171.6 | 118 | 143.4 | -109 | 170.2 | 46.6 | 0 | 0 | 112.3 | | |
| 117 | T | 33.6 | Very low | 39.4 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | | | trans | 57.4 | 119.7 | 131.8 | 49.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 118 | H | 35.2 | Very low | 40.2 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | | | | 91.2 | 116.6 | 124.5 | -78.6 | -54.8 | 0 | 0 | 0 | 121.3 | | |
| 119 | F | 34 | Very low | 41.1 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 75% | 0.746 | 77% | 0.768 | S | S | * | * | | | trans | 79.9 | 131.5 | 146.6 | -57.5 | -66.1 | 0 | 0 | 0 | 122.2 | | |
| 120 | T | 39.6 | Very low | 42.1 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | 96.8 | 154.5 | 153.6 | 79.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 121 | P | 39.7 | Very low | 43.1 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | | -90.8 | 139.1 | -122.9 | 28.5 | -8.8 | 0 | 0 | 0 | 112.7 | T123 | P121-T123 VanDerWaalsContact C-N 3.35Å; P121-T123 PolarHBondContact O-N 2.89Å |
| 122 | A | 35.3 | Very low | 44.3 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | | | trans | -71.8 | 91.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q124 | A122-Q124 PolarHBondContact O-N 2.93Š|
| 123 | T | 38.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | -48.6 | 114 | 151.2 | -58.8 | 0 | 0 | 0 | 0 | 107.8 | P121 A125 | P121-T123 VanDerWaalsContact C-N 3.35Å; P121-T123 PolarHBondContact O-N 2.89Å; T123-A125 PolarHBondContact O-N 3.09Å |
| 124 | Q | 47.9 | Very low | 46.1 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -55.7 | 118.3 | -178.1 | -160.8 | 171.1 | 25.5 | 0 | 0 | 109.7 | A122 | A122-Q124 PolarHBondContact O-N 2.93Š|
| 125 | A | 45.3 | Very low | 46 | Very low | 77 Ų | 77 | 135 Ų | 135 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | -54.6 | 147 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | T123 A127 | T123-A125 PolarHBondContact O-N 3.09Å; A125-A127 PolarHBondContact O-N 3.36Å |
| 126 | P | 43.5 | Very low | 46.6 | Very low | 130 Ų | 130 | 142 Ų | 142 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | | | trans | -65 | 110 | 178.2 | 26.4 | -30.6 | 0 | 0 | 0 | 108.5 | A128 | P126-A128 PolarHBondContact O-N 3.47Š|
| 127 | A | 47.8 | Very low | 47.4 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -52.1 | 135.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A125 | A125-A127 PolarHBondContact O-N 3.36Š|
| 128 | A | 55.8 | Low | 47.9 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | | | trans | -45.9 | 144.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | P126 | P126-A128 PolarHBondContact O-N 3.47Š|
| 129 | P | 58.3 | Low | 48.5 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55 | 133 | -179.6 | 22.5 | -32.6 | 0 | 0 | 0 | 109.7 | S131 | P129-S131 PolarHBondContact O-N 2.79Å; P129-S131 VanDerWaalsContact O-N 3.07Å |
| 130 | P | 56.3 | Low | 48.9 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.1 | -176.1 | 22.5 | -31.7 | 0 | 0 | 0 | 109.7 | K132 | P130-K132 PolarHBondContact O-N 3.07Š|
| 131 | S | 60.5 | Low | 49.1 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 130.2 | 170.2 | 167.3 | 0 | 0 | 0 | 0 | 109.5 | P129 R133 | P129-S131 PolarHBondContact O-N 2.79Å; P129-S131 VanDerWaalsContact O-N 3.07Å; S131-R133 PolarHBondContact O-N 3.02Å |
| 132 | K | 62.4 | Low | 49.7 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | | | trans | -47.1 | 95.9 | 179 | -73 | 179 | 177.9 | 175.2 | 0 | 110.4 | P130 | P130-K132 PolarHBondContact O-N 3.07Š|
| 133 | R | 61.4 | Low | 50.8 | Low | 221 Ų | 221 | 145.6 Ų | 145.6 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -111.9 | 131.5 | 171.3 | -72.6 | -174 | 175.7 | -145.1 | -0.6 | 108.9 | S131 C135 | S131-R133 PolarHBondContact O-N 3.02Å; R133-C135 PolarHBondContact O-N 3Å |
| 134 | Q | 57.5 | Low | 51.2 | Low | 188 Ų | 188 | 149.1 Ų | 149.1 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -41.7 | 130.6 | 178.6 | -71.4 | 165.7 | -46.7 | 0 | 0 | 112 | R136 | Q134-R136 PolarHBondContact O-N 3Š|
| 135 | C | 44.7 | Very low | 51.5 | Low | 136 Ų | 136 | 145.9 Ų | 145.9 | 92% | 0.919 | 81% | 0.813 | S | S | * | * | | | trans | -59.3 | 99.5 | 170.6 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | R133 | R133-C135 PolarHBondContact O-N 3Š|
| 136 | R | 48.1 | Very low | 51.8 | Low | 233 Ų | 233 | 144.5 Ų | 144.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | trans | -90.5 | 114.9 | 153.4 | -78.4 | -168.1 | 149.6 | 156.5 | -3.4 | 106.6 | Q134 L138 | Q134-R136 PolarHBondContact O-N 3Å; R136-L138 PolarHBondContact O-N 3.05Å |
| 137 | S | 49.3 | Very low | 52.1 | Low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -54.9 | 119.4 | 178.6 | 45.8 | 0 | 0 | 0 | 0 | 110.7 | S139 | S137-S139 PolarHBondContact O-N 3.33Š|
| 138 | L | 45.7 | Very low | 51.9 | Low | 161 Ų | 161 | 154.7 Ų | 154.7 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -72.6 | 115.3 | 161.3 | -68.2 | 169.8 | 0 | 0 | 0 | 107.3 | R136 F140 | R136-L138 PolarHBondContact O-N 3.05Å; L138-F140 PolarHBondContact O-N 3.07Å |
| 139 | S | 48.2 | Very low | 51.5 | Low | 116 Ų | 116 | 156 Ų | 156 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.6 | 165.7 | -67.6 | 0 | 0 | 0 | 0 | 108.5 | S137 | S137-S139 PolarHBondContact O-N 3.33Š|
| 140 | F | 41.4 | Very low | 50.9 | Low | 204 Ų | 204 | 154.7 Ų | 154.7 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 135.6 | 169.7 | -111.2 | -99.3 | 0 | 0 | 0 | 109.4 | L138 | L138-F140 PolarHBondContact O-N 3.07Š|
| 141 | S | 43.8 | Very low | 50.5 | Low | 109 Ų | 109 | 160.2 Ų | 160.2 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139.6 | 172.3 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | E143 | S141-E143 PolarHBondContact O-N 3.16Š|
| 142 | D | 52.3 | Low | 50.4 | Low | 149 Ų | 149 | 165.6 Ų | 165.6 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | | | trans | -74 | 102.1 | 175 | -177.7 | 24.2 | 0 | 0 | 0 | 109.9 | | |
| 143 | E | 57.7 | Low | 49.7 | Very low | 169 Ų | 169 | 161.2 Ų | 161.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | -151.2 | 43.1 | 172.7 | -140.4 | 173.3 | -173.2 | 0 | 0 | 112.7 | S141 | S141-E143 PolarHBondContact O-N 3.16Š|
| 144 | F | 48.2 | Very low | 49.1 | Very low | 206 Ų | 206 | 159.7 Ų | 159.7 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | | | trans | -152.3 | 67.5 | 158.9 | -85 | -74.4 | 0 | 0 | 0 | 109.6 | G146 | F144-G146 VanDerWaalsContact C-N 3.31Å; F144-G146 PolarHBondContact O-N 2.74Å |
| 145 | S | 53.1 | Low | 48.5 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -74.7 | 82.9 | 167.9 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 146 | G | 52.9 | Low | 48.9 | Very low | 48 Ų | 48 | 151.3 Ų | 151.3 | 50% | 0.495 | 79% | 0.791 | S | S | . | * | S | Bend | trans | 172.9 | 109.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | F144 | F144-G146 VanDerWaalsContact C-N 3.31Å; F144-G146 PolarHBondContact O-N 2.74Å |
| 147 | F | 47.9 | Very low | 49.6 | Very low | 204 Ų | 204 | 152 Ų | 152 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | 76.3 | 71 | 174.3 | -48.2 | -77.8 | 0 | 0 | 0 | 116.6 | | |
| 148 | R | 45.5 | Very low | 50.1 | Low | 234 Ų | 234 | 151.5 Ų | 151.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -136.2 | 104.8 | 148.2 | -70.9 | -61.4 | -134 | -73.4 | -4.2 | 109.6 | S150 | R148-S150 PolarHBondContact O-N 3.04Å; R148-S150 VanDerWaalsContact O-N 3.16Å |
| 149 | S | 45.8 | Very low | 50.3 | Low | 110 Ų | 110 | 155 Ų | 155 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -51.7 | 118.4 | 162.7 | -41.6 | 0 | 0 | 0 | 0 | 107.9 | W151 | S149-W151 PolarHBondContact O-N 3.02Š|
| 150 | S | 46 | Very low | 51 | Low | 94 Ų | 94 | 155.6 Ų | 155.6 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | -63.6 | 100.9 | 178.9 | 59.8 | 0 | 0 | 0 | 0 | 108.9 | R148 R152 | R148-S150 PolarHBondContact O-N 3.04Å; R148-S150 VanDerWaalsContact O-N 3.16Å; S150-R152 VanDerWaalsContact C-N 3.35Å; S150-R152 PolarHBondContact O-N 3.36Å |
| 151 | W | 47.3 | Very low | 51.6 | Low | 242 Ų | 242 | 151.5 Ų | 151.5 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | trans | -62.4 | 101.7 | 164.9 | -95.7 | 86.4 | 0 | 0 | 0 | 107.5 | S149 | S149-W151 PolarHBondContact O-N 3.02Š|
| 152 | R | 59.2 | Low | 52.1 | Low | 207 Ų | 207 | 152.8 Ų | 152.8 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | -96.2 | 118.7 | 164 | -65.9 | -162.6 | -177.3 | -102.7 | 2.7 | 106.7 | S150 Q154 | S150-R152 VanDerWaalsContact C-N 3.35Å; S150-R152 PolarHBondContact O-N 3.36Å; R152-Q154 PolarHBondContact O-N 2.87Å |
| 153 | P | 48.3 | Very low | 52 | Low | 121 Ų | 121 | 154.1 Ų | 154.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -62.3 | 111.6 | 163 | 25 | -28.4 | 0 | 0 | 0 | 106.8 | G155 | P153-G155 PolarHBondContact O-N 3.22Å; P153-G155 VanDerWaalsContact O-N 3.08Å |
| 154 | Q | 48.6 | Very low | 51.6 | Low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -58 | 114.4 | 170.5 | -129.9 | -105.6 | -48 | 0 | 0 | 105.9 | R152 S156 | R152-Q154 PolarHBondContact O-N 2.87Å; Q154-S156 PolarHBondContact O-N 3.19Å |
| 155 | G | 45.5 | Very low | 51.8 | Low | 61 Ų | 61 | 156 Ų | 156 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | -53.7 | 105 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P153 R157 | P153-G155 PolarHBondContact O-N 3.22Å; P153-G155 VanDerWaalsContact O-N 3.08Å; G155-R157 PolarHBondContact O-N 2.92Å |
| 156 | S | 51.4 | Low | 51.6 | Low | 88 Ų | 88 | 159.8 Ų | 159.8 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | trans | -58.8 | 104.7 | 167.6 | 172.7 | 0 | 0 | 0 | 0 | 108 | Q154 V158 | Q154-S156 PolarHBondContact O-N 3.19Å; S156-V158 PolarHBondContact O-N 2.89Å; S156-V158 VanDerWaalsContact OG-CG2 3.28Å; S156-V158 WeakPolarHBondContact OG-CG2 3.28Å |
| 157 | R | 62.8 | Low | 51.4 | Low | 246 Ų | 246 | 168.1 Ų | 168.1 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | | | trans | -74.7 | 48.8 | 177.6 | -92.1 | 168.3 | 58.3 | 156.2 | -2.6 | 111.7 | G155 | G155-R157 PolarHBondContact O-N 2.92Š|
| 158 | V | 61.2 | Low | 51.3 | Low | 104 Ų | 104 | 165.9 Ų | 165.9 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | | | trans | -102.2 | -2.3 | -176.9 | -179.6 | 0 | 0 | 0 | 0 | 113.3 | S156 | S156-V158 PolarHBondContact O-N 2.89Å; S156-V158 VanDerWaalsContact OG-CG2 3.28Å; S156-V158 WeakPolarHBondContact OG-CG2 3.28Å |
| 159 | W | 50 | Low | 51.4 | Low | 236 Ų | 236 | 160.7 Ų | 160.7 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -116.2 | 89.2 | 178.2 | -53 | 99.4 | 0 | 0 | 0 | 111.2 | | |
| 160 | T | 61.8 | Low | 51.2 | Low | 128 Ų | 128 | 159.1 Ų | 159.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 118.2 | 153 | 51.8 | 0 | 0 | 0 | 0 | 107.4 | V162 | T160-V162 PolarHBondContact O-N 2.95Å; T160-V162 VanDerWaalsContact O-N 3.16Å |
| 161 | S | 53.9 | Low | 51.2 | Low | 118 Ų | 118 | 158.6 Ų | 158.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118 | 171.9 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | E163 | S161-E163 PolarHBondContact O-N 2.86Š|
| 162 | V | 55.4 | Low | 50.9 | Low | 135 Ų | 135 | 152.8 Ų | 152.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 116.8 | 171.5 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | T160 K164 | T160-V162 PolarHBondContact O-N 2.95Å; T160-V162 VanDerWaalsContact O-N 3.16Å; V162-K164 PolarHBondContact O-N 3.07Å |
| 163 | E | 50 | Low | 50.3 | Low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -63.5 | 106.3 | 173.5 | -174.3 | 175.8 | 176.3 | 0 | 0 | 108.7 | S161 R165 | S161-E163 PolarHBondContact O-N 2.86Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.08Å |
| 164 | K | 48.4 | Very low | 50 | Low | 187 Ų | 187 | 155.8 Ų | 155.8 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | -66.3 | 90.9 | 172.4 | -173.2 | -177.1 | 179.7 | 176.5 | 0 | 108 | V162 R166 | V162-K164 PolarHBondContact O-N 3.07Å; K164-R166 PolarHBondContact O-N 2.99Å |
| 165 | R | 52.6 | Low | 49.6 | Very low | 226 Ų | 226 | 150.4 Ų | 150.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -59.1 | 106 | 170.1 | -147 | -170.6 | -63.5 | -176.1 | 3 | 107.2 | E163 Y167 | E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.08Å; R165-Y167 PolarHBondContact O-N 3.2Å |
| 166 | R | 49.2 | Very low | 49.1 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 75% | 0.751 | 81% | 0.813 | S | S | * | * | | | trans | -64.3 | 124.5 | 170.4 | -89.9 | -177.2 | -85.5 | -162.7 | -3.9 | 107.5 | K164 H168 | K164-R166 PolarHBondContact O-N 2.99Å; R166-H168 PolarHBondContact O-N 3.35Å; R166-H168 VanDerWaalsContact O-N 3.15Å |
| 167 | Y | 48.6 | Very low | 48.5 | Very low | 223 Ų | 223 | 152 Ų | 152 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | | | trans | -51.8 | 114.1 | 162.1 | -70.5 | -91.9 | 0 | 0 | 0 | 109.2 | R165 | R165-Y167 PolarHBondContact O-N 3.2Š|
| 168 | H | 45.6 | Very low | 47.3 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -124.2 | 97.5 | 158.1 | -72.5 | -58.3 | 0 | 0 | 0 | 107.7 | R166 | R166-H168 PolarHBondContact O-N 3.35Å; R166-H168 VanDerWaalsContact O-N 3.15Å |
| 169 | S | 46.8 | Very low | 46.5 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -58.3 | 141.1 | 155.7 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 170 | G | 42.8 | Very low | 46.2 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 146 | 88.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 171 | G | 45.6 | Very low | 45.7 | Very low | 83 Ų | 83 | 143.2 Ų | 143.2 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | | 85.3 | 86 | 55.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 172 | S | 41.6 | Very low | 45.3 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -156.8 | 102.3 | 155.9 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 173 | V | 46 | Very low | 44.6 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | -66.6 | 129.8 | 165.7 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 174 | R | 42.3 | Very low | 44.2 | Very low | 249 Ų | 249 | 147.2 Ų | 147.2 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | | | trans | -149.1 | 116.6 | 142.2 | -134.9 | 179.2 | -178.3 | -171.1 | -0.3 | 109.6 | | |
| 175 | G | 40.6 | Very low | 43.8 | Very low | 76 Ų | 76 | 149.4 Ų | 149.4 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | -70.2 | 159.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 176 | G | 34.4 | Very low | 42.9 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | 179.5 | 96.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 177 | A | 39.5 | Very low | 42.4 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | | | trans | -60.2 | 141 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 178 | G | 38 | Very low | 41.7 | Very low | 41 Ų | 41 | 135 Ų | 135 | 42% | 0.423 | 82% | 0.818 | S | S | . | * | | | trans | 169.5 | 78.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F180 | G178-F180 WeakPolarHBondContact O-CD2 3.47Å; G178-F180 PolarHBondContact O-N 3.15Å |
| 179 | H | 42.8 | Very low | 41.3 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | | | trans | -21 | 117.7 | 152.6 | -2.5 | -103.6 | 0 | 0 | 0 | 114.6 | | |
| 180 | F | 43.6 | Very low | 40.8 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -140.2 | 133.3 | 160.4 | -68.1 | -73.8 | 0 | 0 | 0 | 109.9 | G178 | G178-F180 WeakPolarHBondContact O-CD2 3.47Å; G178-F180 PolarHBondContact O-N 3.15Å |
| 181 | P | 53.1 | Low | 40.7 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | | | trans | -82.3 | 160 | 179.3 | 33.7 | -32.8 | 0 | 0 | 0 | 112.2 | | |
| 182 | P | 45.5 | Very low | 40.5 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | | | trans | -71.1 | 147.4 | -174.9 | 28.4 | -34.3 | 0 | 0 | 0 | 113.5 | Q184 | P182-Q184 PolarHBondContact O-N 3.29Š|
| 183 | M | 39.1 | Very low | 40.1 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 98% | 0.975 | 82% | 0.819 | S | S | * | * | | | trans | -56.4 | 112.2 | 177.8 | -73.4 | 163 | 84.2 | 0 | 0 | 111.9 | | |
| 184 | Q | 42 | Very low | 39.5 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 131.1 | 171.6 | -168.7 | 174.4 | -71.9 | 0 | 0 | 110.5 | P182 | P182-Q184 PolarHBondContact O-N 3.29Š|
| 185 | R | 39.3 | Very low | 39 | Very low | 232 Ų | 232 | 138.1 Ų | 138.1 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138 | -179.9 | -65.8 | 163.1 | 65.3 | -172.5 | 0.8 | 111 | | |
| 186 | S | 33.8 | Very low | 38.6 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.1 | 179.7 | -41.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 187 | S | 38.8 | Very low | 38.8 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | | | trans | -174.1 | 99.1 | 162 | 158.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 188 | S | 34.2 | Very low | 38.9 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | | | trans | -131 | 108.3 | 176.8 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 189 | F | 36.8 | Very low | 38.8 | Very low | 202 Ų | 202 | 146.2 Ų | 146.2 | 89% | 0.886 | 84% | 0.841 | S | S | * | * | | | trans | -71.6 | 143.5 | 157.6 | -79.7 | -94.6 | 0 | 0 | 0 | 109.2 | | |
| 190 | S | 37.8 | Very low | 38.4 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 84% | 0.843 | S | S | * | * | | | trans | -78.1 | 164.6 | -173.8 | -47.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 191 | L | 39.8 | Very low | 37.9 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | | | trans | 126.5 | 152.8 | 149.6 | -64.7 | -176 | 0 | 0 | 0 | 113.1 | | |
| 192 | P | 41.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | | | cis | -125.2 | 177.2 | -34.3 | 36.1 | -18.6 | 0 | 0 | 0 | 113.1 | | |
| 193 | S | 32.9 | Very low | 36.4 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | | | trans | -50.9 | 139.2 | -178.3 | -50.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 194 | C | 34.1 | Very low | 36.2 | Very low | 132 Ų | 132 | 142 Ų | 142 | 89% | 0.892 | 83% | 0.834 | S | S | * | * | | | trans | -127.7 | 110.9 | 163.1 | -70.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 195 | L | 31.6 | Very low | 37.1 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | | | trans | -92.3 | 131.4 | 160.4 | -133.2 | 108.1 | 0 | 0 | 0 | 107 | | |
| 196 | S | 32.5 | Very low | 37.6 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -166.6 | 120.2 | 154.3 | -78.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 197 | A | 38.4 | Very low | 37.5 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -76.5 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 198 | P | 41.7 | Very low | 37.2 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | -122.3 | 140.2 | 142.9 | 33.7 | -22.1 | 0 | 0 | 0 | 111.6 | | |
| 199 | S | 35.2 | Very low | 37.1 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -132.9 | 144.1 | 171.7 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 200 | D | 35.2 | Very low | 36.8 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | 107.1 | 131 | 144.8 | -147.6 | 6.6 | 0 | 0 | 0 | 118.7 | | |
| 201 | G | 33.3 | Very low | 36.6 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | 160.2 | 41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 202 | A | 32 | Very low | 36.6 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | 78.1 | 123.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 203 | R | 34.2 | Very low | 36.7 | Very low | 252 Ų | 252 | 135.3 Ų | 135.3 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | | | trans | 92.1 | 141.5 | 146 | -50.6 | -145 | 171.6 | -159 | -3.2 | 119.7 | | |
| 204 | D | 34.8 | Very low | 36.8 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -132.1 | -171.1 | -144.6 | -151 | 18.1 | 0 | 0 | 0 | 109 | | |
| 205 | P | 60.4 | Low | 36.7 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | | -115.8 | -151.1 | -97.8 | 42.3 | -23.8 | 0 | 0 | 0 | 110.7 | | |
| 206 | P | 49.8 | Very low | 36.7 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | cis | -138.5 | 179.7 | 9.2 | 39.8 | -17.8 | 0 | 0 | 0 | 116.5 | | |
| 207 | L | 32.1 | Very low | 37 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | -174.7 | 123.5 | 127.3 | -87.9 | 170 | 0 | 0 | 0 | 111.5 | | |
| 208 | F | 32.3 | Very low | 36.6 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | | | trans | 74.2 | 85.8 | 150.4 | -81.8 | -96 | 0 | 0 | 0 | 123.5 | | |
| 209 | N | 32.7 | Very low | 36.2 | Very low | 129 Ų | 129 | 145 Ų | 145 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | | 45.5 | 110.5 | 112.1 | -71.9 | -63.3 | 0 | 0 | 0 | 121.8 | | |
| 210 | Q | 31.5 | Very low | 35.9 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | | 81.9 | 119.8 | 115.6 | -64.7 | -71.4 | 87.3 | 0 | 0 | 121.1 | | |
| 211 | Q | 32.4 | Very low | 35.5 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | | | trans | 102.3 | 103.2 | 133.4 | -141.9 | 79.8 | -6.3 | 0 | 0 | 118.4 | | |
| 212 | L | 39.4 | Very low | 35.4 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | | | trans | -118 | 141.7 | 141.7 | -101.9 | 136.1 | 0 | 0 | 0 | 107.4 | | |
| 213 | P | 45.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | | | | -138.3 | 151.6 | 125 | 36.1 | -23.7 | 0 | 0 | 0 | 111.5 | | |
| 214 | L | 35.1 | Very low | 35.3 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | | | | -179.2 | 133.5 | 118.4 | -88.9 | 168.5 | 0 | 0 | 0 | 109.9 | | |
| 215 | H | 31.2 | Very low | 36.1 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -106.2 | 139 | -176.9 | 165.8 | -81.1 | 0 | 0 | 0 | 108.4 | | |
| 216 | L | 31.5 | Very low | 34.6 | Very low | 154 Ų | 154 | 137 Ų | 137 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | 175.8 | 124.5 | 133.4 | -126.8 | 75.2 | 0 | 0 | 0 | 109.8 | | |
| 217 | Q | 38.5 | Very low | 33.7 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -94.3 | 156.1 | 167.8 | -59.9 | -173.1 | -50.6 | 0 | 0 | 110.2 | | |
| 218 | F | 29.6 | Very low | 33.6 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | trans | 154.6 | 148 | 152.3 | -104 | -122.6 | 0 | 0 | 0 | 109.3 | | |
| 219 | T | 33.4 | Very low | 33.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | cis | -166.7 | 168.4 | 6.1 | -0.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 220 | A | 28.8 | Very low | 33.6 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | trans | -86.5 | 164 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 221 | S | 27.6 | Very low | 33.7 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | 105.7 | 137.7 | 136.4 | -143.5 | 0 | 0 | 0 | 0 | 123 | | |
| 222 | S | 31.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | -2.2 | 124 | 159.4 | 59.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 223 | V | 32.5 | Very low | 33.5 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | | 28.3 | 119.9 | 124.5 | -178.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 224 | S | 30.6 | Very low | 32.9 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 85.6 | 159.6 | 143.9 | -73.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 225 | P | 52.5 | Low | 32.8 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | | | cis | -134.9 | -163.4 | -40.3 | 37.5 | -18.9 | 0 | 0 | 0 | 111.4 | | |
| 226 | S | 28.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | 92.7 | 140.7 | 175.7 | 93.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 227 | S | 30.6 | Very low | 33.4 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | cis | -170.1 | 151.6 | -5.7 | -172.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 228 | V | 29.9 | Very low | 33.1 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 61% | 0.606 | 75% | 0.751 | S | S | * | * | | | trans | 32.4 | 113.5 | 148.6 | -63.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 229 | F | 33.3 | Very low | 33.4 | Very low | 190 Ų | 190 | 129.5 Ų | 129.5 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | | | | 177.9 | 145 | 87.2 | -94.5 | -71.3 | 0 | 0 | 0 | 110.5 | | |
| 230 | S | 32.2 | Very low | 33.6 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | | | trans | -38.2 | 147.6 | 176 | -57.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 231 | H | 34.4 | Very low | 34.6 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | | | | -154.4 | 127.3 | 107.8 | -86 | -64 | 0 | 0 | 0 | 110.2 | | |
| 232 | H | 33.9 | Very low | 34.9 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -79.9 | 143.1 | 176.7 | -73.9 | -20 | 0 | 0 | 0 | 111.9 | | |
| 233 | S | 32.8 | Very low | 35 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -168.3 | 92.6 | 141.1 | 46.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 234 | H | 32.8 | Very low | 35.3 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | | 76.4 | 126.9 | 89 | -101.9 | -86 | 0 | 0 | 0 | 115.2 | | |
| 235 | S | 34 | Very low | 35.6 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 83.4 | 143 | 156.2 | 80.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 236 | Q | 39.7 | Very low | 35.1 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | cis | -177.9 | 147.5 | -33.7 | -127.8 | -162.5 | 51.6 | 0 | 0 | 104.3 | | |
| 237 | V | 34.2 | Very low | 35.9 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 58% | 0.576 | 75% | 0.754 | S | S | * | * | | | trans | 67.6 | 144.9 | 157.8 | -117.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 238 | F | 33.1 | Very low | 36.5 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | cis | -146.1 | 151.8 | 10 | -73.7 | -93.3 | 0 | 0 | 0 | 106.1 | | |
| 239 | L | 36 | Very low | 37 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | | -173 | 141.3 | 63.5 | -74.9 | 166.3 | 0 | 0 | 0 | 109.5 | | |
| 240 | R | 37.2 | Very low | 37 | Very low | 227 Ų | 227 | 145 Ų | 145 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | trans | -103.5 | -176.7 | 161.1 | -134.9 | -169.3 | 169.9 | 157.8 | 1.7 | 107.4 | | |
| 241 | P | 50.2 | Low | 37.1 | Very low | 90 Ų | 90 | 149.7 Ų | 149.7 | 58% | 0.584 | 78% | 0.781 | S | S | * | * | | | cis | -139.7 | 170 | -15.2 | 38.3 | -20.6 | 0 | 0 | 0 | 115.1 | | |
| 242 | L | 33.9 | Very low | 37 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | | | trans | -150.3 | 137.2 | 133.8 | -77.8 | -172.9 | 0 | 0 | 0 | 109.9 | | |
| 243 | S | 33.2 | Very low | 37.2 | Very low | 88 Ų | 88 | 149.5 Ų | 149.5 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | trans | -105.9 | 158.5 | -165.2 | -81.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 244 | L | 37.8 | Very low | 37.4 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | 51.8 | 138.9 | 136.5 | -69.2 | 158.5 | 0 | 0 | 0 | 119.4 | | |
| 245 | S | 37 | Very low | 37.4 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | | -159.8 | 156.9 | 60.6 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 246 | Q | 41.9 | Very low | 37.2 | Very low | 154 Ų | 154 | 151 Ų | 151 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -103.4 | 133.6 | 171.6 | 174.3 | 93.6 | 12.9 | 0 | 0 | 107.6 | | |
| 247 | E | 45.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -141.6 | 110.7 | 161.8 | -104.5 | 171 | 170.2 | 0 | 0 | 111.3 | | |
| 248 | Q | 42.9 | Very low | 36.8 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -87.8 | 133.7 | 154.7 | -71.7 | 175.5 | -23.4 | 0 | 0 | 106.9 | | |
| 249 | I | 41.1 | Very low | 36.8 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | trans | -142.4 | 118.1 | 161.8 | -48.2 | 175.8 | 0 | 0 | 0 | 110.6 | | |
| 250 | S | 33.6 | Very low | 36.6 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -70.5 | 144 | 163.3 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 251 | L | 33.5 | Very low | 36.5 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | | | trans | -102.2 | 113.3 | 169.9 | -146.3 | 172.1 | 0 | 0 | 0 | 109.5 | | |
| 252 | R | 32.6 | Very low | 35.7 | Very low | 211 Ų | 211 | 146.7 Ų | 146.7 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | trans | -108.1 | 126.3 | 169.8 | -147.8 | -161.5 | 179.7 | 168.5 | 3.7 | 108.4 | | |
| 253 | E | 38.3 | Very low | 35.6 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | 21.8 | 118.6 | 135.2 | -162.7 | 171.5 | -161.6 | 0 | 0 | 118.2 | | |
| 254 | L | 37.2 | Very low | 35.7 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | -146.5 | 122.7 | 147.8 | -145.8 | 95 | 0 | 0 | 0 | 110.6 | | |
| 255 | Q | 33.6 | Very low | 36.4 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | -67.9 | 162.7 | 162.8 | -71.1 | 179.7 | -61.3 | 0 | 0 | 111.8 | | |
| 256 | G | 28.4 | Very low | 36.3 | Very low | 64 Ų | 64 | 145.2 Ų | 145.2 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | 147.3 | 90.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 257 | E | 32.6 | Very low | 36 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | | 91.3 | 103.4 | 119.7 | -64 | -109.5 | 108.9 | 0 | 0 | 113.2 | | |
| 258 | E | 34.5 | Very low | 36.1 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | | 56.2 | 103.6 | 85.5 | -84.5 | -73.4 | 142.3 | 0 | 0 | 114.1 | | |
| 259 | A | 31.4 | Very low | 36.5 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | 167.5 | 123.3 | 125.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 260 | S | 32.5 | Very low | 36.5 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | 61.1 | 143.1 | 147.9 | -65.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 261 | E | 35.3 | Very low | 37 | Very low | 156 Ų | 156 | 143 Ų | 143 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | | | cis | -173.3 | 153.9 | -1.5 | -111.2 | 160.6 | -143.6 | 0 | 0 | 106.2 | | |
| 262 | T | 33.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 88.8 | 124 | 159.5 | 81.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 263 | S | 32.3 | Very low | 38.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 101.2 | 121.5 | 151.8 | 79.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 264 | S | 35 | Very low | 38.8 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -96.1 | 177.2 | -173 | -116.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 265 | P | 51.7 | Low | 38.9 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | trans | -98.9 | 147.1 | -139.9 | 38.3 | -35.1 | 0 | 0 | 0 | 113.2 | | |
| 266 | D | 34.8 | Very low | 39.6 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -175.5 | 119.9 | 139.2 | -146.5 | -6.7 | 0 | 0 | 0 | 108.7 | | |
| 267 | S | 36.3 | Very low | 40.5 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | 174.3 | 104.1 | 152.7 | -82.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 268 | T | 46.8 | Very low | 41.7 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | -9 | 127.7 | 151 | 30 | 0 | 0 | 0 | 0 | 117.3 | E270 | T268-E270 PolarHBondContact O-N 2.92Š|
| 269 | P | 50.7 | Low | 42.6 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | -78.6 | 104.4 | 161.6 | 30.4 | -29.5 | 0 | 0 | 0 | 110.1 | L271 | P269-L271 PolarHBondContact O-N 2.98Å; P269-L271 VanDerWaalsContact O-N 3.16Å |
| 270 | E | 41 | Very low | 43.7 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -58.8 | 107.3 | 157.6 | -79.1 | -93.5 | 133.9 | 0 | 0 | 108.6 | T268 G272 | T268-E270 PolarHBondContact O-N 2.92Å; E270-G272 VanDerWaalsContact C-N 3.27Å; E270-G272 PolarHBondContact O-N 2.86Å |
| 271 | L | 44.1 | Very low | 45 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -73.9 | 85.2 | 173.2 | -108.6 | 149.1 | 0 | 0 | 0 | 109.2 | P269 R273 | P269-L271 PolarHBondContact O-N 2.98Å; P269-L271 VanDerWaalsContact O-N 3.16Å; L271-R273 PolarHBondContact O-N 3.33Å |
| 272 | G | 40.9 | Very low | 46.1 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | | | trans | -50.4 | 126.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E270 | E270-G272 VanDerWaalsContact C-N 3.27Å; E270-G272 PolarHBondContact O-N 2.86Å |
| 273 | R | 51.4 | Low | 47.3 | Very low | 229 Ų | 229 | 137.9 Ų | 137.9 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -71.6 | 131.6 | 179.4 | -66.7 | 177 | 173.7 | -89.9 | 1.8 | 110.6 | L271 | L271-R273 PolarHBondContact O-N 3.33Š|
| 274 | R | 51.3 | Low | 48.5 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | trans | 73.6 | 84.6 | 152.1 | -52.9 | -137.5 | -74.6 | -110.5 | 3.5 | 118.2 | | |
| 275 | G | 38.8 | Very low | 49.7 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -94.6 | 111.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 276 | A | 47.6 | Very low | 50.3 | Low | 109 Ų | 109 | 142.8 Ų | 142.8 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | | | trans | -68.9 | 140.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 277 | G | 47.6 | Very low | 52.1 | Low | 74 Ų | 74 | 143.4 Ų | 143.4 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 122.9 | 108.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 278 | K | 57.5 | Low | 53.4 | Low | 197 Ų | 197 | 143.7 Ų | 143.7 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | trans | 74.6 | 41.2 | 160 | -86.8 | -179 | 169.1 | -165 | 0 | 118.8 | S280 | K278-S280 PolarHBondContact O-N 3.15Å; K278-S280 VanDerWaalsContact O-N 3.17Å |
| 279 | G | 54.5 | Low | 54.1 | Low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | trans | -77.8 | 56.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L281 | G279-L281 PolarHBondContact O-N 2.94Å; G279-L281 VanDerWaalsContact O-N 3.15Å |
| 280 | S | 53.6 | Low | 54.7 | Low | 86 Ų | 86 | 143.9 Ų | 143.9 | 60% | 0.601 | 82% | 0.816 | S | S | * | * | | | trans | -79 | 95.9 | 174.3 | 61.1 | 0 | 0 | 0 | 0 | 108.2 | K278 S282 | K278-S280 PolarHBondContact O-N 3.15Å; K278-S280 VanDerWaalsContact O-N 3.17Å; S280-S282 PolarHBondContact O-N 3.39Å |
| 281 | L | 60.3 | Low | 55.7 | Low | 165 Ų | 165 | 141.1 Ų | 141.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -53.5 | 113.3 | 162.3 | -67.9 | 168.9 | 0 | 0 | 0 | 106.9 | G279 R283 | G279-L281 PolarHBondContact O-N 2.94Å; G279-L281 VanDerWaalsContact O-N 3.15Å; L281-R283 VanDerWaalsContact C-N 3.27Å; L281-R283 PolarHBondContact O-N 2.88Å |
| 282 | S | 58.9 | Low | 56.3 | Low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | trans | -58.3 | 94.8 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 108.1 | S280 S284 | S280-S282 PolarHBondContact O-N 3.39Å; S282-S284 PolarHBondContact O-N 3.01Å |
| 283 | R | 58.1 | Low | 57.1 | Low | 235 Ų | 235 | 140.4 Ų | 140.4 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | trans | -61.8 | 105.6 | 178.4 | -146.8 | 174.2 | -168.6 | -104.6 | 4.1 | 105.7 | L281 R285 | L281-R283 VanDerWaalsContact C-N 3.27Å; L281-R283 PolarHBondContact O-N 2.88Å; R283-R285 PolarHBondContact O-N 2.91Å |
| 284 | S | 57.6 | Low | 57.7 | Low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -52.7 | 110.3 | 178.1 | 37.5 | 0 | 0 | 0 | 0 | 108.1 | S282 S286 | S282-S284 PolarHBondContact O-N 3.01Å; S284-S286 PolarHBondContact O-N 3.16Å |
| 285 | R | 60.7 | Low | 58.3 | Low | 244 Ų | 244 | 136 Ų | 136 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | | | trans | -68.2 | 88.3 | 167.8 | -82.8 | -174.3 | 156.2 | 165 | -4.8 | 106.5 | R283 Q287 | R283-R285 PolarHBondContact O-N 2.91Å; R285-Q287 PolarHBondContact O-N 2.86Å; R285-Q287 VanDerWaalsContact O-N 3.09Å |
| 286 | S | 63.1 | Low | 59.4 | Low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | -57.5 | 114.1 | 158.5 | 54.1 | 0 | 0 | 0 | 0 | 106.1 | S284 | S284-S286 PolarHBondContact O-N 3.16Š|
| 287 | Q | 73.7 | Confident | 60.1 | Low | 169 Ų | 169 | 137.2 Ų | 137.2 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -51.8 | 139 | 170.2 | -68.9 | -169.6 | -11.6 | 0 | 0 | 108.3 | R285 C289 | R285-Q287 PolarHBondContact O-N 2.86Å; R285-Q287 VanDerWaalsContact O-N 3.09Å; Q287-C289 PolarHBondContact O-N 3.08Å |
| 288 | P | 63.1 | Low | 60.7 | Low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | trans | -60.3 | 115.9 | 167.3 | 26.3 | -30.7 | 0 | 0 | 0 | 106.4 | V290 | P288-V290 PolarHBondContact O-N 3.04Š|
| 289 | C | 62 | Low | 61.2 | Low | 109 Ų | 109 | 142 Ų | 142 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -53.6 | 115.9 | 167.7 | -42.4 | 0 | 0 | 0 | 0 | 105.6 | Q287 L291 | Q287-C289 PolarHBondContact O-N 3.08Å; C289-L291 PolarHBondContact O-N 3.34Å |
| 290 | V | 62.1 | Low | 61.9 | Low | 136 Ų | 136 | 149 Ų | 149 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -64.7 | 87.6 | 165.8 | 177.1 | 0 | 0 | 0 | 0 | 105.3 | P288 N292 | P288-V290 PolarHBondContact O-N 3.04Å; V290-N292 PolarHBondContact O-N 3.33Å |
| 291 | L | 61.8 | Low | 62.4 | Low | 126 Ų | 126 | 156.2 Ų | 156.2 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | | | trans | -59 | 112.1 | 171.2 | -110.5 | 146.8 | 0 | 0 | 0 | 104.9 | C289 D293 | C289-L291 PolarHBondContact O-N 3.34Å; L291-D293 VanDerWaalsContact C-N 3.29Å; L291-D293 PolarHBondContact O-N 2.86Å |
| 292 | N | 57.2 | Low | 62.8 | Low | 92 Ų | 92 | 157.8 Ų | 157.8 | 49% | 0.492 | 78% | 0.778 | S | S | . | * | | | trans | -61 | 99.6 | 169 | -103 | -65.9 | 0 | 0 | 0 | 106.8 | V290 K294 K295 | V290-N292 PolarHBondContact O-N 3.33Å; N292-K294 PolarHBondContact O-N 2.74Å; N292-K294 WeakPolarHBondContact OD1-CD 3.2Å; N292-K295 PolarHBondContact O-N 2.61Å; N292-K295 VanDerWaalsContact O-N 3.07Å |
| 293 | D | 59.3 | Low | 63.1 | Low | 126 Ų | 126 | 156.5 Ų | 156.5 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -57.1 | -15.4 | 173.2 | -61.7 | -38.3 | 0 | 0 | 0 | 111.9 | L291 K295 I296 | L291-D293 VanDerWaalsContact C-N 3.29Å; L291-D293 PolarHBondContact O-N 2.86Å; D293-K295 PolarHBondContact O-N 3.14Å; D293-K295 VanDerWaalsContact O-N 3.15Å; D293-I296 HydrophobicContact CB-CD1 4.36Å; D293-I296 PolarHBondContact O-N 3.37Å |
| 294 | K | 62.9 | Low | 63.2 | Low | 185 Ų | 185 | 153.7 Ų | 153.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -65.1 | -8.8 | 174.4 | -42.1 | -177.5 | -172.1 | -177.6 | 0 | 114.4 | N292 | N292-K294 PolarHBondContact O-N 2.74Å; N292-K294 WeakPolarHBondContact OD1-CD 3.2Å |
| 295 | K | 63.6 | Low | 63.3 | Low | 184 Ų | 184 | 152.5 Ų | 152.5 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -117.3 | 14.1 | 178.8 | -73 | -168.4 | 173.5 | -175.3 | 0 | 114.2 | N292 D293 A297 | N292-K295 PolarHBondContact O-N 2.61Å; N292-K295 VanDerWaalsContact O-N 3.07Å; D293-K295 PolarHBondContact O-N 3.14Å; D293-K295 VanDerWaalsContact O-N 3.15Å; K295-A297 PolarHBondContact O-N 3.44Å |
| 296 | I | 61.4 | Low | 63.3 | Low | 122 Ų | 122 | 145.1 Ų | 145.1 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 62.8 | 177.6 | -47.1 | 171.7 | 0 | 0 | 0 | 109.9 | D293 | D293-I296 HydrophobicContact CB-CD1 4.36Å; D293-I296 PolarHBondContact O-N 3.37Å |
| 297 | A | 62.4 | Low | 63.2 | Low | 98 Ų | 98 | 149.1 Ų | 149.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.9 | 15.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K295 | K295-A297 PolarHBondContact O-N 3.44Š|
| 298 | M | 60.1 | Low | 62.8 | Low | 172 Ų | 172 | 148.9 Ų | 148.9 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | | | trans | -113.8 | 74.4 | 175.9 | -142.4 | 174.2 | 145.9 | 0 | 0 | 109.1 | R300 | M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 2.69Å |
| 299 | K | 69.3 | Low | 62.9 | Low | 199 Ų | 199 | 152 Ų | 152 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | | | trans | -52.9 | 108.9 | 154.1 | -94.2 | -178.3 | 175.8 | 176.2 | 0 | 104.6 | R301 | K299-R301 VanDerWaalsContact C-N 3.35Å; K299-R301 PolarHBondContact O-N 3.46Å |
| 300 | R | 69.4 | Low | 63.5 | Low | 229 Ų | 229 | 157.2 Ų | 157.2 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | -53.8 | 109.6 | 168.5 | -66.4 | 175 | 68.3 | 148.5 | 0.5 | 104.5 | M298 R302 | M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 2.69Å; R300-R302 PolarHBondContact O-N 2.8Å; R300-R302 VanDerWaalsContact O-N 3.08Å |
| 301 | R | 63 | Low | 64.3 | Low | 237 Ų | 237 | 157 Ų | 157 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | | | trans | -52.9 | 122.1 | 162.2 | -76.4 | -177.1 | 138.4 | 107.3 | -2.2 | 104.1 | K299 | K299-R301 VanDerWaalsContact C-N 3.35Å; K299-R301 PolarHBondContact O-N 3.46Å |
| 302 | R | 70.1 | Confident | 65.1 | Low | 197 Ų | 197 | 156 Ų | 156 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -51.6 | 130.3 | 166.3 | -155.1 | 168.3 | -177.3 | 121.1 | 0.2 | 104.2 | R300 E304 D305 | R300-R302 PolarHBondContact O-N 2.8Å; R300-R302 VanDerWaalsContact O-N 3.08Å; R302-E304 PolarHBondContact O-N 2.82Å; R302-D305 WeakPolarHBondContact CD-OD2 3.48Å; R302-D305 IonicContact CZ-OD2 3.61Å; R302-D305 IonicContact NE-OD2 2.74Å; R302-D305 PolarHBondContact NE-OD2 2.73Å; R302-D305 IonicContact NH2-OD2 3.6Å |
| 303 | P | 64.4 | Low | 66.5 | Low | 93 Ų | 93 | 158.1 Ų | 158.1 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | | | trans | -45.5 | 140.6 | 164.9 | -19.1 | 30 | 0 | 0 | 0 | 106.2 | D305 | P303-D305 PolarHBondContact O-N 3.19Š|
| 304 | E | 61.1 | Low | 67.8 | Low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -51.7 | 90.1 | 171.7 | 37.4 | -78.4 | 143.3 | 0 | 0 | 108.5 | R302 A306 | R302-E304 PolarHBondContact O-N 2.82Å; E304-A306 VanDerWaalsContact C-N 3.32Å; E304-A306 PolarHBondContact O-N 2.85Å |
| 305 | D | 59.8 | Low | 69 | Low | 87 Ų | 87 | 152.4 Ų | 152.4 | 47% | 0.465 | 75% | 0.748 | S | S | . | * | | | trans | -57.6 | 106.8 | 172.8 | -82.2 | -20.2 | 0 | 0 | 0 | 102.5 | R302 P303 Q307 | R302-D305 WeakPolarHBondContact CD-OD2 3.48Å; R302-D305 IonicContact CZ-OD2 3.61Å; R302-D305 IonicContact NE-OD2 2.74Å; R302-D305 PolarHBondContact NE-OD2 2.73Å; R302-D305 IonicContact NH2-OD2 3.6Å; P303-D305 PolarHBondContact O-N 3.19Å; D305-Q307 VanDerWaalsContact C-N 3.25Å; D305-Q307 PolarHBondContact O-N 3.3Å |
| 306 | A | 59.5 | Low | 69.8 | Low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -55.7 | 91.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | E304 E308 | E304-A306 VanDerWaalsContact C-N 3.32Å; E304-A306 PolarHBondContact O-N 2.85Å; A306-E308 PolarHBondContact O-N 3.45Å |
| 307 | Q | 60.8 | Low | 70.7 | Confident | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | | | trans | 34 | 42.6 | 169.2 | -155.2 | 171 | -14.9 | 0 | 0 | 113.9 | D305 Q309 | D305-Q307 VanDerWaalsContact C-N 3.25Å; D305-Q307 PolarHBondContact O-N 3.3Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 3.14Å |
| 308 | E | 65.1 | Low | 71.5 | Confident | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | | | trans | -68.1 | 105.3 | 174.9 | -76.3 | -170 | -177.2 | 0 | 0 | 105.2 | A306 R310 | A306-E308 PolarHBondContact O-N 3.45Å; E308-R310 VanDerWaalsContact C-N 3.33Å; E308-R310 PolarHBondContact O-N 3.37Å |
| 309 | Q | 66.1 | Low | 72.4 | Confident | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | | | trans | -60 | 100.1 | -175.2 | -160.5 | 179.2 | 19.3 | 0 | 0 | 106.5 | Q307 | Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 3.14Å |
| 310 | R | 74.7 | Confident | 72.7 | Confident | 218 Ų | 218 | 140.5 Ų | 140.5 | 82% | 0.823 | 69% | 0.692 | S | S | * | * | | | trans | -51.8 | 131.4 | 176.2 | -72.2 | -176.6 | -179.5 | 163.8 | 2.9 | 106.6 | E308 S312 | E308-R310 VanDerWaalsContact C-N 3.33Å; E308-R310 PolarHBondContact O-N 3.37Å; R310-S312 PolarHBondContact O-N 3.29Å |
| 311 | P | 78.4 | Confident | 72.4 | Confident | 132 Ų | 132 | 136.5 Ų | 136.5 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | | | trans | -57.7 | 107.9 | 175.2 | 21.7 | -30.5 | 0 | 0 | 0 | 107.8 | | |
| 312 | S | 79.6 | Confident | 72.4 | Confident | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | | | trans | -76.2 | 132.7 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 108.3 | R310 D314 | R310-S312 PolarHBondContact O-N 3.29Å; S312-D314 PolarHBondContact O-N 3.33Å; S312-D314 VanDerWaalsContact O-N 3.14Å |
| 313 | L | 86 | Confident | 71.9 | Confident | 136 Ų | 136 | 128.8 Ų | 128.8 | 71% | 0.712 | 67% | 0.666 | S | S | * | * | | | trans | -67.2 | 110.9 | 174.1 | -177.3 | 65.3 | 0 | 0 | 0 | 109.2 | L315 M318 | L313-L315 PolarHBondContact O-N 3.14Å; L313-M318 HydrophobicContact CD1-CE 4.23Å; L313-M318 HydrophobicContact CD2-CE 3.76Å; L313-M318 HydrophobicContact CG-CE 4.02Å |
| 314 | D | 86.9 | Confident | 71.6 | Confident | 72 Ų | 72 | 129.4 Ų | 129.4 | 39% | 0.385 | 67% | 0.668 | S | S | . | * | | | trans | -80.6 | 105.9 | 175.8 | 180 | -5 | 0 | 0 | 0 | 109.9 | S312 A316 K317 M318 | S312-D314 PolarHBondContact O-N 3.33Å; S312-D314 VanDerWaalsContact O-N 3.14Å; D314-A316 VanDerWaalsContact C-N 3.26Å; D314-A316 PolarHBondContact O-N 3.17Å; D314-A316 WeakPolarHBondContact OD1-CA 3.34Å; D314-A316 WeakPolarHBondContact OD1-CB 3.33Å; D314-A316 PolarHBondContact OD1-N 3.3Å; D314-K317 HydrophobicContact CB-CB 4Å; D314-K317 HydrophobicContact CB-CD 4.11Å; D314-K317 HydrophobicContact CB-CG 4.26Å; D314-K317 PolarHBondContact O-N 3.22Å; D314-K317 PolarHBondContact OD1-N 3.28Å; D314-K317 WeakPolarHBondContact OD2-CD 3.2Å; D314-K317 VanDerWaalsContact OD2-CG 3.23Å; D314-K317 WeakPolarHBondContact OD2-CG 3.23Å; D314-M318 PolarHBondContact O-N 3.12Å |
| 315 | L | 87.5 | Confident | 71.3 | Confident | 120 Ų | 120 | 127.9 Ų | 127.9 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.6 | -31.5 | 179.2 | -63.7 | 175.7 | 0 | 0 | 0 | 112 | L313 M318 T319 | L313-L315 PolarHBondContact O-N 3.14Å; L315-M318 HydrophobicContact CD2-CE 3.6Å; L315-M318 WeakPolarHBondContact O-CB 3.44Å; L315-M318 PolarHBondContact O-N 3.33Å; L315-T319 WeakPolarHBondContact O-CG2 3.44Å; L315-T319 PolarHBondContact O-N 3.45Å; L315-T319 VanDerWaalsContact O-N 3.09Å; L315-T319 PolarHBondContact O-OG1 3.41Å |
| 316 | A | 80.5 | Confident | 71.1 | Confident | 63 Ų | 63 | 131 Ų | 131 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D314 M318 T319 Q320 | D314-A316 VanDerWaalsContact C-N 3.26Å; D314-A316 PolarHBondContact O-N 3.17Å; D314-A316 WeakPolarHBondContact OD1-CA 3.34Å; D314-A316 WeakPolarHBondContact OD1-CB 3.33Å; D314-A316 PolarHBondContact OD1-N 3.3Å; A316-M318 VanDerWaalsContact C-N 3.3Å; A316-M318 PolarHBondContact O-N 3.46Å; A316-T319 PolarHBondContact O-N 3.21Å; A316-T319 PolarHBondContact O-OG1 3.29Å; A316-T319 VanDerWaalsContact O-OG1 3.12Å; A316-Q320 WeakPolarHBondContact O-CB 3.43Å; A316-Q320 PolarHBondContact O-N 2.97Å |
| 317 | K | 81.1 | Confident | 70.9 | Confident | 151 Ų | 151 | 131.9 Ų | 131.9 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -63.8 | -34.1 | 170 | -84.7 | 178.3 | 176.5 | 175.1 | 0 | 113 | D314 | D314-K317 HydrophobicContact CB-CB 4Å; D314-K317 HydrophobicContact CB-CD 4.11Å; D314-K317 HydrophobicContact CB-CG 4.26Å; D314-K317 PolarHBondContact O-N 3.22Å; D314-K317 PolarHBondContact OD1-N 3.28Å; D314-K317 WeakPolarHBondContact OD2-CD 3.2Å; D314-K317 VanDerWaalsContact OD2-CG 3.23Å; D314-K317 WeakPolarHBondContact OD2-CG 3.23Å |
| 318 | M | 79.3 | Confident | 70.9 | Confident | 98 Ų | 98 | 130.5 Ų | 130.5 | 48% | 0.483 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.4 | -36.7 | 176.5 | -159.6 | -168.5 | -37.6 | 0 | 0 | 112.1 | L313 D314 L315 A316 | L313-M318 HydrophobicContact CD1-CE 4.23Å; L313-M318 HydrophobicContact CD2-CE 3.76Å; L313-M318 HydrophobicContact CG-CE 4.02Å; D314-M318 PolarHBondContact O-N 3.12Å; L315-M318 HydrophobicContact CD2-CE 3.6Å; L315-M318 WeakPolarHBondContact O-CB 3.44Å; L315-M318 PolarHBondContact O-N 3.33Å; A316-M318 VanDerWaalsContact C-N 3.3Å; A316-M318 PolarHBondContact O-N 3.46Å |
| 319 | T | 77.3 | Confident | 70.5 | Confident | 75 Ų | 75 | 127.5 Ų | 127.5 | 46% | 0.46 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -86.2 | -20.6 | -178.6 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | L315 A316 K321 L322 Q323 | L315-T319 WeakPolarHBondContact O-CG2 3.44Å; L315-T319 PolarHBondContact O-N 3.45Å; L315-T319 VanDerWaalsContact O-N 3.09Å; L315-T319 PolarHBondContact O-OG1 3.41Å; A316-T319 PolarHBondContact O-N 3.21Å; A316-T319 PolarHBondContact O-OG1 3.29Å; A316-T319 VanDerWaalsContact O-OG1 3.12Å; T319-K321 PolarHBondContact O-N 3.09Å; T319-L322 WeakPolarHBondContact O-CA 3.38Å; T319-L322 WeakPolarHBondContact O-CB 3.47Å; T319-L322 PolarHBondContact O-N 3.15Å; T319-Q323 PolarHBondContact O-N 2.93Å |
| 320 | Q | 76.4 | Confident | 69.1 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 64% | 0.64 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -59.8 | -33.5 | 174.7 | -169.3 | 177.4 | 19.4 | 0 | 0 | 112.5 | A316 L322 T324 | A316-Q320 WeakPolarHBondContact O-CB 3.43Å; A316-Q320 PolarHBondContact O-N 2.97Å; Q320-L322 VanDerWaalsContact C-N 3.26Å; Q320-L322 PolarHBondContact O-N 3.01Å; Q320-T324 PolarHBondContact O-OG1 3.2Å |
| 321 | K | 63.7 | Low | 68.1 | Low | 146 Ų | 146 | 126.7 Ų | 126.7 | 64% | 0.635 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.4 | -4.4 | 174.4 | -146.7 | -159.7 | 173.9 | -171.9 | 0 | 113.6 | T319 F325 | T319-K321 PolarHBondContact O-N 3.09Å; K321-F325 HydrophobicContact CG-CD2 4.43Å; K321-F325 HydrophobicContact CG-CE2 4.24Å; K321-F325 WeakPolarHBondContact O-CD2 3.49Å |
| 322 | L | 61.6 | Low | 66.7 | Low | 119 Ų | 119 | 123 Ų | 123 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -96.5 | -24 | 173.9 | -62.5 | 176.4 | 0 | 0 | 0 | 112 | T319 Q320 | T319-L322 WeakPolarHBondContact O-CA 3.38Å; T319-L322 WeakPolarHBondContact O-CB 3.47Å; T319-L322 PolarHBondContact O-N 3.15Å; Q320-L322 VanDerWaalsContact C-N 3.26Å; Q320-L322 PolarHBondContact O-N 3.01Å |
| 323 | Q | 60.8 | Low | 64.7 | Low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.2 | -26.2 | 175.9 | -66.7 | -152.1 | -14.2 | 0 | 0 | 113.7 | T319 F325 | T319-Q323 PolarHBondContact O-N 2.93Å; Q323-F325 VanDerWaalsContact C-N 3.29Å; Q323-F325 PolarHBondContact O-N 3Å |
| 324 | T | 58.6 | Low | 62.9 | Low | 106 Ų | 106 | 126.9 Ų | 126.9 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -5 | 174.9 | 34.5 | 0 | 0 | 0 | 0 | 113.8 | Q320 | Q320-T324 PolarHBondContact O-OG1 3.2Š|
| 325 | F | 53.5 | Low | 60.8 | Low | 145 Ų | 145 | 128.9 Ų | 128.9 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 23.6 | 176.7 | -68.4 | -81 | 0 | 0 | 0 | 113.5 | K321 Q323 S327 | K321-F325 HydrophobicContact CG-CD2 4.43Å; K321-F325 HydrophobicContact CG-CE2 4.24Å; K321-F325 WeakPolarHBondContact O-CD2 3.49Å; Q323-F325 VanDerWaalsContact C-N 3.29Å; Q323-F325 PolarHBondContact O-N 3Å; F325-S327 PolarHBondContact O-N 3.28Å |
| 326 | Q | 56.6 | Low | 59 | Low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 47.7 | 163.4 | -67.4 | -171.9 | 6.2 | 0 | 0 | 112.1 | | |
| 327 | S | 55.4 | Low | 57.1 | Low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.3 | -3.4 | 175.3 | -79.3 | 0 | 0 | 0 | 0 | 116 | F325 | F325-S327 PolarHBondContact O-N 3.28Š|
| 328 | L | 60.4 | Low | 55.3 | Low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -145.1 | 80.4 | 176.6 | -63.1 | 172.3 | 0 | 0 | 0 | 110.7 | | |
| 329 | S | 55.3 | Low | 53.6 | Low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 151.5 | 94.4 | 145.7 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 330 | W | 37.3 | Very low | 51.9 | Low | 252 Ų | 252 | 137 Ų | 137 | 96% | 0.955 | 74% | 0.739 | S | S | * | * | | | trans | -175.9 | 99.6 | 132 | -74.1 | 113.5 | 0 | 0 | 0 | 108 | | |
| 331 | P | 54.7 | Low | 50.2 | Low | 132 Ų | 132 | 136.3 Ų | 136.3 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | | | trans | -75.9 | 133.8 | 167.2 | -15.7 | 30.7 | 0 | 0 | 0 | 111.9 | | |
| 332 | G | 47.4 | Very low | 49 | Very low | 54 Ų | 54 | 134.2 Ų | 134.2 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | | | trans | 101.9 | 112 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 333 | F | 38.3 | Very low | 48.3 | Very low | 214 Ų | 214 | 134.7 Ų | 134.7 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | | | | -136.9 | 117.6 | 52.7 | -57.9 | -94.3 | 0 | 0 | 0 | 111.3 | S335 | F333-S335 PolarHBondContact O-N 2.92Š|
| 334 | S | 48.1 | Very low | 46.9 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -76.9 | 100.2 | 160.4 | 156.8 | 0 | 0 | 0 | 0 | 107.6 | S336 | S334-S336 VanDerWaalsContact C-N 3.28Å; S334-S336 PolarHBondContact O-N 2.91Å |
| 335 | S | 42.3 | Very low | 45.6 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -83.7 | 81.8 | 160 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | F333 D337 | F333-S335 PolarHBondContact O-N 2.92Å; S335-D337 PolarHBondContact O-N 3.22Å |
| 336 | S | 49.9 | Very low | 44.6 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -67.9 | 116.1 | 160 | 52.1 | 0 | 0 | 0 | 0 | 107.6 | S334 | S334-S336 VanDerWaalsContact C-N 3.28Å; S334-S336 PolarHBondContact O-N 2.91Å |
| 337 | D | 41.8 | Very low | 43.3 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -131 | 119.8 | 153.8 | -137.2 | -6.2 | 0 | 0 | 0 | 108.3 | S335 | S335-D337 PolarHBondContact O-N 3.22Š|
| 338 | G | 43.2 | Very low | 42.3 | Very low | 56 Ų | 56 | 136.5 Ų | 136.5 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | -82.4 | 145.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 339 | F | 43.6 | Very low | 41 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | | | trans | -127.2 | 98.2 | 148.9 | -68.2 | -75.1 | 0 | 0 | 0 | 107.3 | | |
| 340 | E | 41.1 | Very low | 40.4 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -61.4 | 129.8 | 161.5 | -75.5 | -166.1 | 121.2 | 0 | 0 | 109.4 | | |
| 341 | S | 39.7 | Very low | 40.1 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -149.8 | 86.9 | 151.9 | -64.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 342 | S | 40.5 | Very low | 38.8 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -69.8 | -177.8 | 164.7 | -81.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 343 | P | 45.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | cis | -131.8 | 167.6 | -49 | 35.5 | -20 | 0 | 0 | 0 | 111 | | |
| 344 | G | 31.8 | Very low | 37.8 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | 178.1 | 99.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 345 | G | 31.1 | Very low | 37.1 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | 92.3 | 96.1 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 346 | R | 33.2 | Very low | 36.7 | Very low | 239 Ų | 239 | 128.2 Ų | 128.2 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | -51.1 | 141.5 | 151.8 | -75.9 | 177.8 | 174.9 | -167.5 | -2.7 | 111.2 | | |
| 347 | S | 29.5 | Very low | 35.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -160.9 | 154.2 | 138.2 | -162.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 348 | F | 34.7 | Very low | 35.3 | Very low | 183 Ų | 183 | 132 Ų | 132 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | | | trans | -82.2 | 159.5 | -155.4 | -66.4 | -99.6 | 0 | 0 | 0 | 115.8 | | |
| 349 | D | 32.7 | Very low | 34.9 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | -43.2 | 163.3 | 154.5 | -109.1 | -36.9 | 0 | 0 | 0 | 113.1 | | |
| 350 | P | 42.4 | Very low | 34.3 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | cis | -154 | 168 | 47.3 | 39.7 | -17 | 0 | 0 | 0 | 119.1 | | |
| 351 | A | 31.1 | Very low | 33.9 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | 46.2 | 118 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 352 | G | 28.1 | Very low | 33.5 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | | 96.4 | 129.5 | 114.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 353 | R | 32.8 | Very low | 33.2 | Very low | 245 Ų | 245 | 127.8 Ų | 127.8 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | 66.7 | 146.9 | 157.7 | -83.3 | 171.4 | 103.4 | -178.2 | 7.9 | 116.1 | | |
| 354 | S | 31.5 | Very low | 32.4 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | | | cis | 166.7 | 160.9 | -13.8 | 48.3 | 0 | 0 | 0 | 0 | 104.4 | | |
| 355 | V | 32.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | trans | 83.3 | 94.3 | 164.8 | -164.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 356 | A | 33.8 | Very low | 32.6 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | | 65.2 | 121.2 | 78 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 357 | D | 30.7 | Very low | 32.5 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | | -172.4 | 126.3 | 120.8 | -98.7 | -5.1 | 0 | 0 | 0 | 112.9 | | |
| 358 | F | 32.5 | Very low | 32.4 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | 49.7 | 134.2 | 152.9 | -61.5 | -84.8 | 0 | 0 | 0 | 119.4 | | |
| 359 | A | 33.6 | Very low | 32.3 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | cis | -171.4 | 156 | 43 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 360 | A | 32.4 | Very low | 32.4 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | 85.8 | 110 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 361 | V | 31.3 | Very low | 31.8 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | | | | 91.5 | 97.7 | 126.3 | 176.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 362 | S | 33.2 | Very low | 32 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -21.4 | 157.1 | 139.5 | -51.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 363 | E | 32.7 | Very low | 32.2 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | cis | -167.3 | 150 | 10.5 | -128.9 | 177.3 | 169.3 | 0 | 0 | 106.7 | | |
| 364 | R | 28.4 | Very low | 32.4 | Very low | 229 Ų | 229 | 131.8 Ų | 131.8 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | trans | 6.9 | 145.8 | 141.4 | -54.3 | 178.6 | -157.7 | -157 | 6.6 | 119.1 | | |
| 365 | G | 28.8 | Very low | 32.6 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | | 132 | 84.7 | 128.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 366 | L | 38.4 | Very low | 33.1 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -68.9 | 125.6 | 154.9 | -70.6 | 163 | 0 | 0 | 0 | 108 | | |
| 367 | E | 31.7 | Very low | 33.6 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | 179.8 | 153.9 | 134.3 | -133.2 | 102.6 | -142.1 | 0 | 0 | 111.8 | | |
| 368 | S | 27.7 | Very low | 34.5 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 78.4 | 148.4 | 160.6 | 86.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 369 | R | 31.7 | Very low | 35.1 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | cis | -171.9 | 149.9 | -10.5 | 160.6 | 177.1 | 175.4 | -172.8 | -0.9 | 104.7 | | |
| 370 | T | 35.9 | Very low | 35.3 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -32 | 134.9 | 166.8 | -26.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 371 | D | 30.1 | Very low | 35.9 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | | | | 171.7 | 139.2 | 121.7 | -95.9 | -23.4 | 0 | 0 | 0 | 115.3 | | |
| 372 | M | 33.6 | Very low | 36.5 | Very low | 164 Ų | 164 | 141 Ų | 141 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | 82.8 | 110.6 | 148.6 | -61.7 | -65 | 166 | 0 | 0 | 123.6 | | |
| 373 | A | 32.5 | Very low | 36.8 | Very low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | | 90.3 | 131 | 111.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 374 | A | 37.4 | Very low | 37.1 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | 65.8 | 147.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 375 | D | 35 | Very low | 38.1 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | cis | -169 | 139.1 | 12 | -149.1 | 18.4 | 0 | 0 | 0 | 100.6 | | |
| 376 | D | 43.3 | Very low | 39 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | | | | 146.7 | 147.5 | 74 | -160.6 | 23.3 | 0 | 0 | 0 | 103.7 | | |
| 377 | E | 44.2 | Very low | 39.3 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | 10.9 | 139.2 | 167.4 | -49.8 | -54.7 | 149 | 0 | 0 | 120.2 | | |
| 378 | E | 50 | Low | 40.1 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | | -158.8 | 146.3 | 79.1 | -73.4 | -72 | 166.8 | 0 | 0 | 111.6 | | |
| 379 | E | 45.4 | Very low | 40.8 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -61 | 151.8 | 176.5 | -57.2 | 177.4 | 124.3 | 0 | 0 | 113.6 | | |
| 380 | D | 38.2 | Very low | 41.6 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | | 151.8 | 142.8 | 113.2 | -159.3 | 15.7 | 0 | 0 | 0 | 114.3 | | |
| 381 | S | 45.5 | Very low | 41.9 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 78.2 | 99.2 | 168.1 | 85.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 382 | S | 41.9 | Very low | 42.4 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | | 89.7 | 91.2 | 71.8 | -179.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 383 | Y | 40.3 | Very low | 42.7 | Very low | 204 Ų | 204 | 130.4 Ų | 130.4 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | | 24.8 | 129.6 | 128.6 | -159.7 | -102.8 | 0 | 0 | 0 | 119.9 | | |
| 384 | G | 40.2 | Very low | 43.2 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | 169.1 | 67.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 385 | E | 48.3 | Very low | 43.3 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | -44.8 | 128.6 | 155 | 174.4 | -178.9 | -177.1 | 0 | 0 | 111.4 | | |
| 386 | L | 48.8 | Very low | 43.6 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | -148.4 | 126.7 | 157.7 | -74.6 | -175.9 | 0 | 0 | 0 | 112.6 | | |
| 387 | D | 43.1 | Very low | 43.5 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | -44.8 | 135.3 | 173.2 | -78.4 | -51.3 | 0 | 0 | 0 | 114.9 | D389 | D387-D389 PolarHBondContact O-N 3.09Š|
| 388 | S | 49.8 | Very low | 43.8 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | | | trans | -93.1 | 86 | 164.7 | -69.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 389 | D | 41 | Very low | 43 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -88.2 | 127.9 | 171.2 | -88.3 | -23.2 | 0 | 0 | 0 | 112.7 | D387 | D387-D389 PolarHBondContact O-N 3.09Š|
| 390 | S | 49.6 | Very low | 42.6 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -39.3 | 132.9 | 161.5 | -177.1 | 0 | 0 | 0 | 0 | 115 | | |
| 391 | A | 41.5 | Very low | 43 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | -153.5 | 118.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 392 | C | 41.3 | Very low | 42.5 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -63.7 | 142 | 163.9 | -56.8 | 0 | 0 | 0 | 0 | 110 | | |
| 393 | S | 38.9 | Very low | 42 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -143.3 | 105.3 | 163.2 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 394 | V | 43.5 | Very low | 41.8 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -87.3 | 123.9 | 160.7 | 161.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 395 | D | 39.9 | Very low | 41.7 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | -157.7 | 146.3 | 136.5 | -144.1 | -9.3 | 0 | 0 | 0 | 111.7 | | |
| 396 | S | 41.3 | Very low | 41.1 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | | | trans | -104.7 | 144.4 | -172.4 | -58.3 | 0 | 0 | 0 | 0 | 111 | | |
| 397 | R | 41.1 | Very low | 40.5 | Very low | 249 Ų | 249 | 128 Ų | 128 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | | | | 177.9 | 158.2 | 121.9 | -99.4 | -179.2 | 177.7 | -139.4 | -0.3 | 114 | | |
| 398 | P | 50.3 | Low | 40.2 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -103.8 | 151.7 | -162.2 | 38.9 | -31.4 | 0 | 0 | 0 | 113.9 | | |
| 399 | G | 32.5 | Very low | 39.8 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -168.9 | 124.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 400 | S | 37.2 | Very low | 39.8 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -53.7 | 170 | -168.3 | -68.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 401 | P | 46.7 | Very low | 39.3 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | trans | -100.1 | 150.2 | -149.9 | 38.1 | -31.9 | 0 | 0 | 0 | 114.3 | | |
| 402 | A | 35.3 | Very low | 39.5 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | | | trans | -121.7 | 126.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 403 | C | 31.7 | Very low | 39.5 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 76% | 0.757 | 82% | 0.821 | S | S | * | * | | | trans | -79.1 | 127.4 | -172.7 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 404 | C | 36.4 | Very low | 39.7 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 90% | 0.899 | 82% | 0.821 | S | S | * | * | | | trans | -146.2 | 110.5 | 150 | -81.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 405 | T | 36.6 | Very low | 39.7 | Very low | 123 Ų | 123 | 144 Ų | 144 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | | | trans | -67.5 | 146.3 | -178.6 | 34.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 406 | V | 36.9 | Very low | 39.8 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | | | trans | 152.6 | 108.7 | 137.1 | 163.3 | 0 | 0 | 0 | 0 | 104.3 | | |
| 407 | D | 36.8 | Very low | 40.3 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | | | | -164.6 | 168.8 | 55.1 | -146.2 | -18.6 | 0 | 0 | 0 | 112.2 | | |
| 408 | S | 36.4 | Very low | 40.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | | | trans | -63.6 | 132.4 | -162.6 | -65.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 409 | K | 42.1 | Very low | 40.6 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | | | | -174.8 | 90.2 | 126.7 | -97.7 | 160.6 | -171.6 | 177.7 | 0 | 112.1 | T411 | K409-T411 PolarHBondContact O-N 2.94Š|
| 410 | R | 39.8 | Very low | 41.2 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | | | trans | -11.8 | 102.3 | 158.1 | 55.9 | -172.6 | -173.9 | -114.3 | 0.2 | 117.3 | | |
| 411 | T | 39.6 | Very low | 42.1 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | trans | -84.7 | 100.2 | 149.5 | 39.5 | 0 | 0 | 0 | 0 | 107.8 | K409 | K409-T411 PolarHBondContact O-N 2.94Š|
| 412 | L | 45.8 | Very low | 42.1 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | | | trans | -105.6 | 94.5 | -179.8 | -173.2 | 107.6 | 0 | 0 | 0 | 108.9 | | |
| 413 | W | 41.2 | Very low | 43.5 | Very low | 249 Ų | 249 | 153.2 Ų | 153.2 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | | | trans | -148.1 | 86 | 143.3 | -72.8 | 105.2 | 0 | 0 | 0 | 108.3 | | |
| 414 | K | 43.1 | Very low | 44.6 | Very low | 189 Ų | 189 | 156 Ų | 156 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -58.9 | 130.6 | 159.8 | -175 | 177.9 | 178.9 | -166.2 | 0 | 107.4 | D416 | K414-D416 PolarHBondContact O-N 3.12Š|
| 415 | G | 43.9 | Very low | 45.5 | Very low | 69 Ų | 69 | 157.3 Ų | 157.3 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | -61.3 | 134.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 416 | D | 42.3 | Very low | 46.7 | Very low | 156 Ų | 156 | 159.3 Ų | 159.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | -125.2 | 122.7 | 156.4 | -92.8 | -30.1 | 0 | 0 | 0 | 108.5 | K414 G418 | K414-D416 PolarHBondContact O-N 3.12Å; D416-G418 PolarHBondContact O-N 3.3Å |
| 417 | C | 50.3 | Low | 47.6 | Very low | 137 Ų | 137 | 156.7 Ų | 156.7 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | trans | -74.6 | 93.7 | 177.8 | 43.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 418 | G | 42 | Very low | 49.2 | Very low | 65 Ų | 65 | 152.2 Ų | 152.2 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | -110.2 | 120.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | D416 Q420 | D416-G418 PolarHBondContact O-N 3.3Å; G418-Q420 PolarHBondContact O-N 2.91Å |
| 419 | K | 55.3 | Low | 51 | Low | 220 Ų | 220 | 156.8 Ų | 156.8 | 96% | 0.957 | 81% | 0.806 | S | S | * | * | | | trans | -57.2 | 93.1 | -174.8 | -58.3 | 171.8 | -177.4 | 177.1 | 0 | 112.3 | | |
| 420 | Q | 46.3 | Very low | 52.6 | Low | 181 Ų | 181 | 154 Ų | 154 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -120 | 112.3 | 164.9 | -164 | 160.7 | 3.2 | 0 | 0 | 108 | G418 D422 | G418-Q420 PolarHBondContact O-N 2.91Å; Q420-D422 PolarHBondContact O-N 3.32Å |
| 421 | R | 56.1 | Low | 54.6 | Low | 236 Ų | 236 | 146.3 Ų | 146.3 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | trans | -65.6 | 103 | 179 | -58.1 | 175.9 | -173.5 | 167.9 | 1.5 | 106.7 | I423 | R421-I423 PolarHBondContact O-N 3.49Š|
| 422 | D | 46.8 | Very low | 56.8 | Low | 110 Ų | 110 | 145.7 Ų | 145.7 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | | | trans | -74.5 | 112 | -179.1 | -147.9 | -5.2 | 0 | 0 | 0 | 108.3 | Q420 F424 | Q420-D422 PolarHBondContact O-N 3.32Å; D422-F424 PolarHBondContact O-N 3.44Å; D422-F424 VanDerWaalsContact O-N 3.09Å |
| 423 | I | 63.5 | Low | 58.5 | Low | 147 Ų | 147 | 145.2 Ų | 145.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 2.1 | -173.9 | -67.5 | 167.2 | 0 | 0 | 0 | 111.4 | R421 | R421-I423 PolarHBondContact O-N 3.49Š|
| 424 | F | 56.3 | Low | 60.6 | Low | 171 Ų | 171 | 139 Ų | 139 | 75% | 0.75 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 30.9 | -175.8 | -60.2 | -73.4 | 0 | 0 | 0 | 114.9 | D422 L426 | D422-F424 PolarHBondContact O-N 3.44Å; D422-F424 VanDerWaalsContact O-N 3.09Å; F424-L426 PolarHBondContact O-N 3.16Å |
| 425 | Q | 55.6 | Low | 62.6 | Low | 160 Ų | 160 | 134.8 Ų | 134.8 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | | | trans | -79.2 | 71.6 | 161.1 | -84.4 | 161.2 | 23 | 0 | 0 | 110.6 | G427 | Q425-G427 PolarHBondContact O-N 3.23Š|
| 426 | L | 60.3 | Low | 64.4 | Low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | | | trans | -76.9 | 60.3 | 154.1 | -73.7 | 166 | 0 | 0 | 0 | 108.3 | F424 G428 | F424-L426 PolarHBondContact O-N 3.16Å; L426-G428 PolarHBondContact O-N 3.15Å; L426-G428 VanDerWaalsContact O-N 3.15Å |
| 427 | G | 55.9 | Low | 66.1 | Low | 77 Ų | 77 | 141.2 Ų | 141.2 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | | | trans | -83.9 | 51.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q425 | Q425-G427 PolarHBondContact O-N 3.23Š|
| 428 | G | 70.3 | Confident | 67.2 | Low | 57 Ų | 57 | 143.6 Ų | 143.6 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | | | trans | -99 | 108.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | L426 L430 | L426-G428 PolarHBondContact O-N 3.15Å; L426-G428 VanDerWaalsContact O-N 3.15Å; G428-L430 PolarHBondContact O-N 3.15Å |
| 429 | E | 75.5 | Confident | 68.4 | Low | 196 Ų | 196 | 147.5 Ų | 147.5 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | | | trans | -55.4 | 123.3 | 165 | -172.8 | 172.1 | -173.5 | 0 | 0 | 107.5 | D431 | E429-D431 PolarHBondContact O-N 3.09Å; E429-D431 VanDerWaalsContact O-N 3.09Å |
| 430 | L | 74.1 | Confident | 69.1 | Low | 138 Ų | 138 | 143.7 Ų | 143.7 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | | | trans | -70 | 108.9 | 177.9 | -70.4 | 172.5 | 0 | 0 | 0 | 107.5 | G428 L432 | G428-L430 PolarHBondContact O-N 3.15Å; L430-L432 PolarHBondContact O-N 2.98Å |
| 431 | D | 83.1 | Confident | 70.4 | Confident | 72 Ų | 72 | 141.6 Ų | 141.6 | 39% | 0.385 | 71% | 0.714 | S | S | . | * | | | trans | -68.4 | 98.6 | 173.9 | -176.2 | -11.1 | 0 | 0 | 0 | 109.2 | E429 E433 Q434 I435 | E429-D431 PolarHBondContact O-N 3.09Å; E429-D431 VanDerWaalsContact O-N 3.09Å; D431-E433 PolarHBondContact O-N 3.06Å; D431-E433 WeakPolarHBondContact OD1-CA 3.33Å; D431-E433 WeakPolarHBondContact OD1-CB 3.44Å; D431-E433 WeakPolarHBondContact OD1-CG 3.5Å; D431-E433 PolarHBondContact OD1-N 2.88Å; D431-Q434 HydrophobicContact CB-CB 3.96Å; D431-Q434 WeakPolarHBondContact O-CB 3.3Å; D431-Q434 PolarHBondContact O-N 3.3Å; D431-Q434 VanDerWaalsContact O-N 3.15Å; D431-Q434 PolarHBondContact OD1-N 3.25Å; D431-I435 PolarHBondContact O-N 3.47Å |
| 432 | L | 85.9 | Confident | 71.2 | Confident | 134 Ų | 134 | 136.1 Ų | 136.1 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -61.7 | -27.8 | 179.5 | -64.8 | 175.2 | 0 | 0 | 0 | 111.7 | L430 I435 E436 | L430-L432 PolarHBondContact O-N 2.98Å; L432-I435 HydrophobicContact CD2-CD1 4.41Å; L432-I435 PolarHBondContact O-N 3.17Å; L432-E436 PolarHBondContact O-N 3.41Å; L432-E436 VanDerWaalsContact O-N 3.14Å |
| 433 | E | 81.1 | Confident | 72.7 | Confident | 119 Ų | 119 | 137.7 Ų | 137.7 | 56% | 0.556 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -72.3 | -33.5 | 177.8 | -41.2 | 179 | -163.4 | 0 | 0 | 111.6 | D431 I435 R437 | D431-E433 PolarHBondContact O-N 3.06Å; D431-E433 WeakPolarHBondContact OD1-CA 3.33Å; D431-E433 WeakPolarHBondContact OD1-CB 3.44Å; D431-E433 WeakPolarHBondContact OD1-CG 3.5Å; D431-E433 PolarHBondContact OD1-N 2.88Å; E433-I435 VanDerWaalsContact C-N 3.33Å; E433-R437 PolarHBondContact O-N 3.36Å; E433-R437 PolarHBondContact O-NH1 3.49Å; E433-R437 IonicContact OE2-NH2 3.33Å; E433-R437 PolarHBondContact OE2-NH2 3.44Å |
| 434 | Q | 85.6 | Confident | 73.4 | Confident | 118 Ų | 118 | 137.1 Ų | 137.1 | 55% | 0.551 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -70.1 | -32.2 | 175 | -174.8 | 176.3 | -27.8 | 0 | 0 | 111.8 | D431 N438 | D431-Q434 HydrophobicContact CB-CB 3.96Å; D431-Q434 WeakPolarHBondContact O-CB 3.3Å; D431-Q434 PolarHBondContact O-N 3.3Å; D431-Q434 VanDerWaalsContact O-N 3.15Å; D431-Q434 PolarHBondContact OD1-N 3.25Å; Q434-N438 PolarHBondContact O-N 3.35Å; Q434-N438 PolarHBondContact O-ND2 3.31Å |
| 435 | I | 83.6 | Confident | 74.6 | Confident | 101 Ų | 101 | 134.6 Ų | 134.6 | 52% | 0.518 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -70.9 | -37.9 | 175.4 | -63.5 | 171.8 | 0 | 0 | 0 | 110.8 | D431 L432 E433 R437 | D431-I435 PolarHBondContact O-N 3.47Å; L432-I435 HydrophobicContact CD2-CD1 4.41Å; L432-I435 PolarHBondContact O-N 3.17Å; E433-I435 VanDerWaalsContact C-N 3.33Å; I435-R437 VanDerWaalsContact C-N 3.3Å; I435-R437 PolarHBondContact O-N 3.42Å |
| 436 | E | 82.6 | Confident | 76 | Confident | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.7 | -25.2 | 179.1 | -168.3 | 174.7 | -174.4 | 0 | 0 | 112.9 | L432 | L432-E436 PolarHBondContact O-N 3.41Å; L432-E436 VanDerWaalsContact O-N 3.14Å |
| 437 | R | 78.8 | Confident | 77.4 | Confident | 186 Ų | 186 | 129.9 Ų | 129.9 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -87.8 | -13.2 | 179.3 | -72.3 | -171.3 | -153.6 | 99.1 | 1.3 | 115.5 | E433 I435 | E433-R437 PolarHBondContact O-N 3.36Å; E433-R437 PolarHBondContact O-NH1 3.49Å; E433-R437 IonicContact OE2-NH2 3.33Å; E433-R437 PolarHBondContact OE2-NH2 3.44Å; I435-R437 VanDerWaalsContact C-N 3.3Å; I435-R437 PolarHBondContact O-N 3.42Å |
| 438 | N | 71.8 | Confident | 79.3 | Confident | 186 Ų | 186 | 134.7 Ų | 134.7 | 100% | 0.995 | 68% | 0.677 | S | S | * | * | | | trans | -102.8 | 0 | 177.4 | -92.1 | -78.1 | 0 | 0 | 0 | 111.7 | Q434 | Q434-N438 PolarHBondContact O-N 3.35Å; Q434-N438 PolarHBondContact O-ND2 3.31Å |