| 1 | M | 42.3 | Very low | 42.7 | Very low | 238 Ų | 238 | 141.7 Ų | 141.7 | 100% | 1.172 | 85% | 0.847 | S | S | * | * | | | | 0 | 134.7 | 0 | -53.8 | -179.4 | -124.5 | 0 | 0 | 107.5 | | |
| 2 | L | 38.6 | Very low | 42.5 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | cis | 176.4 | 95.4 | -31.6 | -105.9 | 170.7 | 0 | 0 | 0 | 104.4 | | |
| 3 | T | 37.9 | Very low | 42.6 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 85% | 0.845 | S | S | * | * | | | trans | 42.8 | 135.6 | 139.3 | -0.7 | 0 | 0 | 0 | 0 | 124 | | |
| 4 | A | 43.3 | Very low | 42.1 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 85% | 0.845 | S | S | * | * | | | trans | 72.8 | 169.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 5 | L | 45.4 | Very low | 42.1 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 91% | 0.906 | 86% | 0.855 | S | S | * | * | | | cis | -134.6 | 169.9 | 5.8 | -85.1 | 169.1 | 0 | 0 | 0 | 111.5 | | |
| 6 | A | 42.4 | Very low | 41.9 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 73% | 0.727 | 85% | 0.852 | S | S | * | * | | | trans | -131.4 | 147.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 7 | P | 50.6 | Low | 41.8 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | | | trans | -104.9 | 165 | 178.9 | 37.7 | -31.8 | 0 | 0 | 0 | 115.1 | | |
| 8 | L | 41.1 | Very low | 41.7 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | | | trans | -81 | 169.5 | -164.8 | -75.8 | 75.9 | 0 | 0 | 0 | 116 | | |
| 9 | A | 38.3 | Very low | 41.4 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | | | trans | -101.5 | 168.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 10 | L | 48 | Very low | 41.7 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | | | trans | -143.8 | 155.7 | 154.7 | -90 | 179.3 | 0 | 0 | 0 | 110.9 | | |
| 11 | P | 41.6 | Very low | 41.6 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -119 | 170.4 | -165.3 | 42.5 | -32.5 | 0 | 0 | 0 | 115.5 | | |
| 12 | G | 40.2 | Very low | 41.5 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | 149.5 | 124.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 13 | L | 44.2 | Very low | 41.7 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | | | | 165.8 | 127.1 | 123 | -89.5 | 170.4 | 0 | 0 | 0 | 111.1 | | |
| 14 | S | 35.9 | Very low | 41.9 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -112.7 | 125 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 15 | R | 41.7 | Very low | 41.7 | Very low | 263 Ų | 263 | 142.4 Ų | 142.4 | 99% | 0.992 | 82% | 0.82 | S | S | * | * | | | trans | -139.1 | 159.8 | 160.5 | -90.4 | -164.4 | 175.1 | -143.9 | -1.3 | 111.7 | | |
| 16 | R | 38.4 | Very low | 41.6 | Very low | 214 Ų | 214 | 139.4 Ų | 139.4 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | | | trans | -148 | 138.6 | -154.2 | 168 | 178.8 | -176.4 | -111.7 | 3.7 | 110.4 | | |
| 17 | L | 40 | Very low | 41.6 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 72% | 0.717 | 82% | 0.821 | S | S | * | * | | | trans | 67.9 | 162.1 | 173 | -69.1 | 164.5 | 0 | 0 | 0 | 115.2 | | |
| 18 | P | 41.1 | Very low | 41.1 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | cis | -126.4 | -178.9 | 9.1 | 42.8 | -28.1 | 0 | 0 | 0 | 116.6 | | |
| 19 | A | 34.7 | Very low | 40.9 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | | | trans | -124.9 | -165.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 20 | P | 47.2 | Very low | 40.9 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | cis | -128 | 171.3 | -22.8 | 40 | -25.6 | 0 | 0 | 0 | 113.5 | | |
| 21 | A | 40.8 | Very low | 40.3 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | | | trans | -161.6 | 152.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 22 | G | 40.5 | Very low | 40.2 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | 93.6 | 122.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 23 | R | 43.1 | Very low | 40.2 | Very low | 228 Ų | 228 | 136.4 Ų | 136.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | | 61.5 | 134.2 | 54.6 | -61.7 | -174.1 | 178.5 | -92.7 | 0.1 | 112.1 | | |
| 24 | Q | 42.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | cis | -151.6 | 168.5 | 14.9 | -153.2 | 154.9 | -64.9 | 0 | 0 | 112.6 | | |
| 25 | D | 38.1 | Very low | 40.6 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | -74 | 141.8 | -172.2 | -45.9 | -96.1 | 0 | 0 | 0 | 115.2 | | |
| 26 | S | 42.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -160.9 | 121.7 | 157.3 | -78.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 27 | S | 43.3 | Very low | 40.8 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | | 61.3 | 121.1 | 77.4 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 28 | G | 39.1 | Very low | 40.8 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | cis | 140.4 | 157.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 29 | S | 38.4 | Very low | 40.6 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | | | trans | 75.1 | 139 | 175.1 | -163.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 30 | S | 37.2 | Very low | 41.5 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -70 | 165.7 | 170.4 | -43.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 31 | G | 36.6 | Very low | 41.2 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -167.9 | 126.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 32 | S | 39.1 | Very low | 42.1 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | trans | -140.7 | 126.2 | 174.3 | 59 | 0 | 0 | 0 | 0 | 110.8 | | |
| 33 | Y | 40 | Very low | 42.4 | Very low | 181 Ų | 181 | 124.7 Ų | 124.7 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | | | trans | -143.6 | 96.4 | -178.9 | -77.6 | -74 | 0 | 0 | 0 | 113.8 | | |
| 34 | H | 44.8 | Very low | 42.3 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 54% | 0.542 | 77% | 0.771 | S | S | . | * | | | trans | 25 | 121.1 | 136.2 | -78.9 | -76.7 | 0 | 0 | 0 | 122.9 | R714 | H34-R714 VanDerWaalsContact CB-NH1 3.25Å; H34-R714 PolarHBondContact CD2-NH1 3.08Å |
| 35 | T | 42.7 | Very low | 42.3 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | | 67.1 | 124.5 | 114.3 | -47.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 36 | A | 39.7 | Very low | 42.3 | Very low | 94 Ų | 94 | 116.2 Ų | 116.2 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | | | trans | -83 | 159.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 37 | P | 45.2 | Very low | 42.5 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -132.2 | 142 | 161.9 | 37.7 | -23.3 | 0 | 0 | 0 | 114.9 | | |
| 38 | G | 40.8 | Very low | 42.6 | Very low | 74 Ų | 74 | 116.8 Ų | 116.8 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | | | trans | 82.5 | 128.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 39 | S | 36.8 | Very low | 43.1 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | -146.8 | 139.4 | 142.6 | -74.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 40 | P | 53.6 | Low | 43.4 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 84% | 0.844 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 168.3 | -164.9 | 37.2 | -36.7 | 0 | 0 | 0 | 115 | | |
| 41 | E | 40.1 | Very low | 43.6 | Very low | 183 Ų | 183 | 117.9 Ų | 117.9 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 135.7 | 173 | 176.4 | 177 | -164.6 | 0 | 0 | 111.9 | | |
| 42 | P | 58.9 | Low | 43.8 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 148.5 | 168.4 | 34.9 | -32.2 | 0 | 0 | 0 | 111.9 | | |
| 43 | P | 47.5 | Very low | 44.1 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 84% | 0.844 | 75% | 0.753 | S | S | * | * | | | trans | -87.5 | 175.3 | -170.3 | 36 | -38.1 | 0 | 0 | 0 | 115.8 | | |
| 44 | D | 40.4 | Very low | 44.1 | Very low | 157 Ų | 157 | 121 Ų | 121 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | trans | -71.9 | -177.1 | 179.2 | -160.7 | -1.6 | 0 | 0 | 0 | 114.3 | | |
| 45 | V | 42.5 | Very low | 43.6 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 104.9 | 125.9 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 46 | G | 39.6 | Very low | 43.4 | Very low | 64 Ų | 64 | 126.3 Ų | 126.3 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | | | trans | -94.6 | -136.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 47 | P | 47 | Very low | 43.2 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | cis | -136.5 | -167.9 | 9.3 | 44.3 | -26.2 | 0 | 0 | 0 | 115 | | |
| 48 | D | 44.9 | Very low | 42.7 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | 57.8 | 151.4 | 148.9 | -61.2 | -26 | 0 | 0 | 0 | 121 | | |
| 49 | T | 49.7 | Very low | 42.5 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | cis | -153.3 | -174.1 | 4.2 | 3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 50 | E | 43.8 | Very low | 43 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | -23.8 | 164.8 | 172.1 | -59 | -172.7 | 96.9 | 0 | 0 | 121.5 | R52 | E50-R52 IonicContact OE1-NH2 3.23Å; E50-R52 PolarHBondContact OE1-NH2 2.84Å |
| 51 | G | 42.2 | Very low | 42.4 | Very low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | cis | 149.3 | 146.4 | -6.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 52 | R | 41.3 | Very low | 42.4 | Very low | 229 Ų | 229 | 134.9 Ų | 134.9 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | 70 | 157.4 | 175.7 | -49.4 | 167.6 | -137.5 | -93.3 | -7.5 | 114.8 | E50 | E50-R52 IonicContact OE1-NH2 3.23Å; E50-R52 PolarHBondContact OE1-NH2 2.84Å |
| 53 | G | 43.9 | Very low | 41.6 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | cis | 139.9 | 152.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 54 | T | 41.4 | Very low | 41.2 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | cis | -168.5 | -177.8 | -2.7 | -51.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 55 | W | 33.1 | Very low | 41.1 | Very low | 212 Ų | 212 | 128.6 Ų | 128.6 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | | | trans | 80 | 155.3 | 158.6 | -56.2 | 126.8 | 0 | 0 | 0 | 118.9 | | |
| 56 | L | 38.5 | Very low | 41 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | | | cis | -156.9 | 155.8 | -6.3 | -112.8 | 163.6 | 0 | 0 | 0 | 111.9 | | |
| 57 | W | 35.1 | Very low | 40.9 | Very low | 212 Ų | 212 | 132 Ų | 132 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | | | trans | 10.9 | 160.4 | 147.4 | -109.6 | -110.3 | 0 | 0 | 0 | 122.5 | | |
| 58 | V | 35.1 | Very low | 40.4 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | cis | -158.7 | 147.6 | 45.5 | -178.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 59 | A | 37.1 | Very low | 40 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -167.4 | -173.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 60 | P | 48.3 | Very low | 39.4 | Very low | 133 Ų | 133 | 134 Ų | 134 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | cis | -135.4 | -175.3 | -17.2 | 42.9 | -26 | 0 | 0 | 0 | 115.5 | | |
| 61 | G | 40 | Very low | 38.9 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | 168.7 | 165 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 62 | R | 40.8 | Very low | 38.6 | Very low | 254 Ų | 254 | 136 Ų | 136 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | | | cis | -170.7 | 131.2 | -13.7 | -164.6 | -173.8 | -130.3 | -94.5 | 5.5 | 113.8 | | |
| 63 | G | 42 | Very low | 38.4 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 86.9 | 164.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 64 | A | 38.8 | Very low | 38.2 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | cis | -168.3 | 146.3 | -18.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 65 | G | 38.6 | Very low | 38.1 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | 93.8 | 151.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 66 | A | 39.7 | Very low | 38.5 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | cis | -163.8 | 138.8 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 67 | Q | 37.9 | Very low | 38.3 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | 67.6 | 174.3 | 154.9 | -57.1 | -67.9 | 0.1 | 0 | 0 | 118.2 | | |
| 68 | P | 37.2 | Very low | 38.6 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | | | | -133.6 | 152.6 | -90.5 | 35.9 | -16.2 | 0 | 0 | 0 | 116.5 | | |
| 69 | V | 36.3 | Very low | 38.8 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | | | trans | -135.6 | 145.8 | 172.5 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 70 | L | 36.4 | Very low | 39.1 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | trans | -63.7 | 130 | -171.8 | -63.5 | 166.7 | 0 | 0 | 0 | 113.6 | V72 | L70-V72 PolarHBondContact O-N 3.12Š|
| 71 | S | 32.4 | Very low | 38.8 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -85.6 | 91.2 | 179.5 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | S73 | S71-S73 PolarHBondContact O-N 2.66Š|
| 72 | V | 37.1 | Very low | 38.7 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | | | trans | -72.9 | 114.2 | 167.7 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | L70 A74 | L70-V72 PolarHBondContact O-N 3.12Å; V72-A74 PolarHBondContact O-N 2.75Å |
| 73 | S | 36.5 | Very low | 38.6 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | | | trans | -77.6 | 86.3 | -166.3 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | S71 Q75 | S71-S73 PolarHBondContact O-N 2.66Å; S73-Q75 PolarHBondContact O-N 2.99Å |
| 74 | A | 39.5 | Very low | 38.4 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | | | trans | -69 | 91.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V72 N76 | V72-A74 PolarHBondContact O-N 2.75Å; A74-N76 VanDerWaalsContact C-N 3.3Å; A74-N76 PolarHBondContact O-N 2.65Å |
| 75 | Q | 40.5 | Very low | 38.4 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | -67.6 | 85 | 173.8 | -74 | -165.5 | -60.6 | 0 | 0 | 111.5 | S73 | S73-Q75 PolarHBondContact O-N 2.99Š|
| 76 | N | 40.8 | Very low | 38.4 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -108.5 | 102.2 | 167.2 | -156.5 | -16.1 | 0 | 0 | 0 | 108.3 | A74 R78 | A74-N76 VanDerWaalsContact C-N 3.3Å; A74-N76 PolarHBondContact O-N 2.65Å; N76-R78 PolarHBondContact O-N 3.43Å |
| 77 | S | 34.7 | Very low | 38.2 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | trans | -74.3 | 84.9 | -163.4 | -178.9 | 0 | 0 | 0 | 0 | 113.2 | Q79 | S77-Q79 PolarHBondContact O-N 2.56Š|
| 78 | R | 40.1 | Very low | 39.1 | Very low | 233 Ų | 233 | 136.6 Ų | 136.6 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -72.6 | 88.1 | 162.4 | -75.5 | -177.8 | 170.5 | -118.4 | 3.5 | 110.5 | N76 Q80 | N76-R78 PolarHBondContact O-N 3.43Å; R78-Q80 PolarHBondContact O-N 3.47Å |
| 79 | Q | 40 | Very low | 39.5 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | | | trans | -80 | 99 | 145 | -70.8 | -177.1 | -17.4 | 0 | 0 | 105.7 | S77 | S77-Q79 PolarHBondContact O-N 2.56Š|
| 80 | Q | 42.9 | Very low | 39.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | | 61.3 | 113.9 | 79.3 | -70.8 | -88.5 | -40.6 | 0 | 0 | 110.3 | R78 G82 | R78-Q80 PolarHBondContact O-N 3.47Å; Q80-G82 PolarHBondContact O-N 3.06Å |
| 81 | H | 43.5 | Very low | 40.3 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 121.8 | -171.1 | -67.6 | -100.4 | 0 | 0 | 0 | 111.4 | | |
| 82 | G | 36.3 | Very low | 40.9 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 135.7 | 158 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q80 | Q80-G82 PolarHBondContact O-N 3.06Š|
| 83 | S | 39 | Very low | 41.4 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 149.4 | -170.2 | -54.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 84 | G | 38 | Very low | 42.2 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | 106.4 | 86.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 85 | S | 40.2 | Very low | 43.2 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -175.6 | 125.2 | 139.1 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 86 | G | 37.2 | Very low | 44.2 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -101.7 | 135 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 87 | F | 35.9 | Very low | 45.3 | Very low | 193 Ų | 193 | 126.5 Ų | 126.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -136.1 | 131.8 | 154.9 | -83.3 | -84.4 | 0 | 0 | 0 | 108.5 | | |
| 88 | P | 56.7 | Low | 47.1 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 147 | 179.6 | 29.9 | -34.2 | 0 | 0 | 0 | 111.7 | | |
| 89 | R | 45.5 | Very low | 48.7 | Very low | 219 Ų | 219 | 123.8 Ų | 123.8 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 125.9 | 173.9 | 180 | -178.5 | -69.2 | -151.5 | -2.5 | 109.6 | | |
| 90 | G | 42.3 | Very low | 50.4 | Low | 52 Ų | 52 | 119.7 Ų | 119.7 | 54% | 0.536 | 75% | 0.745 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 157.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G92 | G90-G92 VanDerWaalsContact C-N 3.28Å; G90-G92 PolarHBondContact O-N 2.89Å |
| 91 | P | 46.4 | Very low | 52.3 | Low | 150 Ų | 150 | 118 Ų | 118 | 97% | 0.974 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -77 | 72.9 | -177.6 | 33.3 | -36.3 | 0 | 0 | 0 | 111.9 | | |
| 92 | G | 46.3 | Very low | 54.3 | Low | 71 Ų | 71 | 114.1 Ų | 114.1 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | | | trans | -141.3 | 28.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G90 G94 | G90-G92 VanDerWaalsContact C-N 3.28Å; G90-G92 PolarHBondContact O-N 2.89Å; G92-G94 PolarHBondContact O-N 2.84Å |
| 93 | S | 47.9 | Very low | 56.7 | Low | 92 Ų | 92 | 116.4 Ų | 116.4 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | | | trans | -88 | 91.1 | -179.3 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 94 | G | 52.8 | Low | 59 | Low | 58 Ų | 58 | 116 Ų | 116 | 60% | 0.598 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 164.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G92 L96 | G92-G94 PolarHBondContact O-N 2.84Å; G94-L96 PolarHBondContact O-N 2.99Å |
| 95 | P | 59.5 | Low | 61.6 | Low | 128 Ų | 128 | 114.8 Ų | 114.8 | 83% | 0.831 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 132.1 | -176.3 | 23.7 | -33.8 | 0 | 0 | 0 | 111.1 | | |
| 96 | L | 63.2 | Low | 63.7 | Low | 133 Ų | 133 | 116 Ų | 116 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 126.8 | -178.3 | -166.1 | 79 | 0 | 0 | 0 | 109.2 | G94 | G94-L96 PolarHBondContact O-N 2.99Š|
| 97 | P | 63.8 | Low | 66 | Low | 100 Ų | 100 | 116.3 Ų | 116.3 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139.8 | -179.3 | 22.6 | -33 | 0 | 0 | 0 | 110.5 | R99 | P97-R99 PolarHBondContact O-N 3.27Å; P97-R99 VanDerWaalsContact O-N 3.15Å |
| 98 | P | 71.4 | Confident | 68.5 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 53% | 0.532 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 119.9 | -175.1 | 22.5 | -32 | 0 | 0 | 0 | 109.9 | G115 | P98-G115 WeakPolarHBondContact CB-O 3.42Å; P98-G115 WeakPolarHBondContact CG-O 3.4Å |
| 99 | R | 75 | Confident | 69.9 | Low | 199 Ų | 199 | 109.7 Ų | 109.7 | 75% | 0.751 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -66 | 128.9 | -178.3 | -68.4 | -176.8 | 178.3 | 173.9 | 1 | 109.5 | P97 Q101 | P97-R99 PolarHBondContact O-N 3.27Å; P97-R99 VanDerWaalsContact O-N 3.15Å; R99-Q101 PolarHBondContact O-N 3.32Å |
| 100 | P | 75.1 | Confident | 72 | Confident | 66 Ų | 66 | 104.3 Ų | 104.3 | 43% | 0.429 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 133.6 | 173.8 | 24.4 | -32.1 | 0 | 0 | 0 | 110.2 | V112 I113 F114 | P100-V112 HydrophobicContact CB-CG1 3.72Å; P100-I113 CarbonylContact C-O 3.4Å; P100-I113 VanDerWaalsContact CA-O 3.3Å; P100-I113 WeakPolarHBondContact CA-O 3.19Å; P100-F114 HydrophobicContact CB-CD1 3.93Å; P100-F114 HydrophobicContact CB-CE1 3.84Å; P100-F114 HydrophobicContact CB-CG 4.44Å; P100-F114 HydrophobicContact CB-CZ 4.27Å; P100-F114 HydrophobicContact CG-CE1 4.12Å |
| 101 | Q | 82 | Confident | 74.1 | Confident | 136 Ų | 136 | 105 Ų | 105 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.3 | 173.8 | -62.9 | -178.5 | -2.3 | 0 | 0 | 109 | R99 I113 | R99-Q101 PolarHBondContact O-N 3.32Å; Q101-I113 HydrophobicContact CB-CB 4.39Å; Q101-I113 PolarHBondContact N-O 2.78Å; Q101-I113 PolarHBondContact O-N 2.98Å |
| 102 | L | 85 | Confident | 76.2 | Confident | 116 Ų | 116 | 101.3 Ų | 101.3 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.4 | 172 | -64.6 | 177.2 | 0 | 0 | 0 | 108.7 | M110 E111 V112 | L102-M110 HydrophobicContact CB-CG 4.4Å; L102-M110 HydrophobicContact CB-SD 3.95Å; L102-M110 HydrophobicContact CD2-CG 4.16Å; L102-E111 WeakPolarHBondContact CA-O 3.35Å; L102-V112 HydrophobicContact CD2-CB 4.18Å; L102-V112 HydrophobicContact CD2-CG1 4.03Å; L102-V112 HydrophobicContact CD2-CG2 3.68Å |
| 103 | R | 86.7 | Confident | 77.9 | Confident | 124 Ų | 124 | 100.6 Ų | 100.6 | 47% | 0.468 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.5 | 167.5 | 69.5 | 172.4 | 178.2 | -160 | -6.4 | 110.6 | E111 I113 | R103-E111 HydrophobicContact CG-CB 3.92Å; R103-E111 IonicContact CZ-OE1 3.99Å; R103-E111 IonicContact CZ-OE2 3.42Å; R103-E111 PolarHBondContact N-O 2.91Å; R103-E111 IonicContact NE-OE1 3.59Å; R103-E111 IonicContact NE-OE2 3.39Å; R103-E111 PolarHBondContact NE-OE2 3.15Å; R103-E111 IonicContact NH2-OE1 2.66Å; R103-E111 PolarHBondContact NH2-OE1 2.93Å; R103-E111 IonicContact NH2-OE2 2.76Å; R103-E111 PolarHBondContact NH2-OE2 3.25Å; R103-E111 PolarHBondContact O-N 3.43Å; R103-I113 HydrophobicContact CG-CD1 4.22Å |
| 104 | M | 89 | Confident | 79.4 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.9 | 167.2 | -152.9 | 77.5 | 72.1 | 0 | 0 | 108.2 | E109 M110 | M104-E109 WeakPolarHBondContact CA-O 3.34Å; M104-M110 HydrophobicContact CE-CE 3.59Å; M104-M110 HydrophobicContact CE-SD 4.04Å; M104-M110 HydrophobicContact SD-CB 4.32Å; M104-M110 HydrophobicContact SD-CE 4Å; M104-M110 HydrophobicContact SD-SD 4.01Å |
| 105 | L | 91.3 | Very high | 80.1 | Confident | 54 Ų | 54 | 102.4 Ų | 102.4 | 28% | 0.283 | 56% | 0.559 | S | S | . | * | | | trans | -84.7 | 158.8 | 172.9 | -66.3 | 178.6 | 0 | 0 | 0 | 110.6 | S107 G108 E109 E111 | L105-S107 WeakPolarHBondContact CB-OG 3.38Å; L105-S107 PolarHBondContact O-N 3.29Å; L105-S107 VanDerWaalsContact O-N 3.08Å; L105-G108 PolarHBondContact O-N 3.42Å; L105-E109 PolarHBondContact N-O 2.91Å; L105-E111 HydrophobicContact CD1-CB 4.41Å; L105-E111 HydrophobicContact CG-CB 4.41Å |
| 106 | P | 84.8 | Confident | 79.8 | Confident | 145 Ų | 145 | 101.3 Ų | 101.3 | 94% | 0.942 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -17.4 | 173.4 | -25.5 | 35.7 | 0 | 0 | 0 | 114.6 | G108 | P106-G108 PolarHBondContact O-N 3.43Š|
| 107 | S | 84.9 | Confident | 79.4 | Confident | 75 Ų | 75 | 96.9 Ų | 96.9 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -7.7 | 171.5 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | L105 E109 | L105-S107 WeakPolarHBondContact CB-OG 3.38Å; L105-S107 PolarHBondContact O-N 3.29Å; L105-S107 VanDerWaalsContact O-N 3.08Å; S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 VanDerWaalsContact CB-OE2 3.3Å; S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact OG-OE2 3.21Å |
| 108 | G | 88.7 | Confident | 79 | Confident | 58 Ų | 58 | 98.3 Ų | 98.3 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 81.4 | 0.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L105 P106 | L105-G108 PolarHBondContact O-N 3.42Å; P106-G108 PolarHBondContact O-N 3.43Å |
| 109 | E | 87 | Confident | 77.7 | Confident | 124 Ų | 124 | 101.8 Ų | 101.8 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | | | trans | -80.4 | 151.7 | 175.8 | -63.2 | 167.6 | 123.8 | 0 | 0 | 111.4 | M104 L105 S107 | M104-E109 WeakPolarHBondContact CA-O 3.34Å; L105-E109 PolarHBondContact N-O 2.91Å; S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 VanDerWaalsContact CB-OE2 3.3Å; S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact OG-OE2 3.21Å |
| 110 | M | 89 | Confident | 75.8 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 53% | 0.527 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.3 | 179.6 | -172.2 | 93.1 | 71.5 | 0 | 0 | 110.3 | L102 M104 | L102-M110 HydrophobicContact CB-CG 4.4Å; L102-M110 HydrophobicContact CB-SD 3.95Å; L102-M110 HydrophobicContact CD2-CG 4.16Å; M104-M110 HydrophobicContact CE-CE 3.59Å; M104-M110 HydrophobicContact CE-SD 4.04Å; M104-M110 HydrophobicContact SD-CB 4.32Å; M104-M110 HydrophobicContact SD-CE 4Å; M104-M110 HydrophobicContact SD-SD 4.01Å |
| 111 | E | 86.7 | Confident | 73.9 | Confident | 67 Ų | 67 | 106 Ų | 106 | 31% | 0.313 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 139.5 | 177.7 | -171.8 | -174 | 153.7 | 0 | 0 | 111.4 | L102 R103 L105 I113 | L102-E111 WeakPolarHBondContact CA-O 3.35Å; R103-E111 HydrophobicContact CG-CB 3.92Å; R103-E111 IonicContact CZ-OE1 3.99Å; R103-E111 IonicContact CZ-OE2 3.42Å; R103-E111 PolarHBondContact N-O 2.91Å; R103-E111 IonicContact NE-OE1 3.59Å; R103-E111 IonicContact NE-OE2 3.39Å; R103-E111 PolarHBondContact NE-OE2 3.15Å; R103-E111 IonicContact NH2-OE1 2.66Å; R103-E111 PolarHBondContact NH2-OE1 2.93Å; R103-E111 IonicContact NH2-OE2 2.76Å; R103-E111 PolarHBondContact NH2-OE2 3.25Å; R103-E111 PolarHBondContact O-N 3.43Å; L105-E111 HydrophobicContact CD1-CB 4.41Å; L105-E111 HydrophobicContact CG-CB 4.41Å; E111-I113 HydrophobicContact CG-CG1 4.47Å |
| 112 | V | 89.3 | Confident | 71.7 | Confident | 71 Ų | 71 | 109.1 Ų | 109.1 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 101.4 | -179.1 | -165.6 | 0 | 0 | 0 | 0 | 109.9 | P100 L102 F114 | P100-V112 HydrophobicContact CB-CG1 3.72Å; L102-V112 HydrophobicContact CD2-CB 4.18Å; L102-V112 HydrophobicContact CD2-CG1 4.03Å; L102-V112 HydrophobicContact CD2-CG2 3.68Å; V112-F114 HydrophobicContact CB-CE2 4.24Å; V112-F114 HydrophobicContact CG1-CD2 4.33Å; V112-F114 HydrophobicContact CG1-CE2 3.69Å; V112-F114 HydrophobicContact CG1-CZ 3.92Å |
| 113 | I | 82.8 | Confident | 69.4 | Low | 57 Ų | 57 | 109 Ų | 109 | 29% | 0.292 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 112.3 | 179.9 | -55.2 | 176.3 | 0 | 0 | 0 | 109.4 | P100 Q101 R103 E111 | P100-I113 CarbonylContact C-O 3.4Å; P100-I113 VanDerWaalsContact CA-O 3.3Å; P100-I113 WeakPolarHBondContact CA-O 3.19Å; Q101-I113 HydrophobicContact CB-CB 4.39Å; Q101-I113 PolarHBondContact N-O 2.78Å; Q101-I113 PolarHBondContact O-N 2.98Å; R103-I113 HydrophobicContact CG-CD1 4.22Å; E111-I113 HydrophobicContact CG-CG1 4.47Å |
| 114 | F | 80.6 | Confident | 67 | Low | 147 Ų | 147 | 108.7 Ų | 108.7 | 65% | 0.645 | 62% | 0.618 | S | S | * | * | | | trans | -88.1 | 116.7 | 168.3 | -65.3 | -91 | 0 | 0 | 0 | 109.6 | P100 V112 A116 | P100-F114 HydrophobicContact CB-CD1 3.93Å; P100-F114 HydrophobicContact CB-CE1 3.84Å; P100-F114 HydrophobicContact CB-CG 4.44Å; P100-F114 HydrophobicContact CB-CZ 4.27Å; P100-F114 HydrophobicContact CG-CE1 4.12Å; V112-F114 HydrophobicContact CB-CE2 4.24Å; V112-F114 HydrophobicContact CG1-CD2 4.33Å; V112-F114 HydrophobicContact CG1-CE2 3.69Å; V112-F114 HydrophobicContact CG1-CZ 3.92Å; F114-A116 PolarHBondContact O-N 2.87Å |
| 115 | G | 66.9 | Low | 64.6 | Low | 40 Ų | 40 | 107.8 Ų | 107.8 | 41% | 0.412 | 63% | 0.629 | S | S | . | * | | | trans | -75 | 107.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P98 G117 | P98-G115 WeakPolarHBondContact CB-O 3.42Å; P98-G115 WeakPolarHBondContact CG-O 3.4Å; G115-G117 PolarHBondContact O-N 3.46Å; G115-G117 VanDerWaalsContact O-N 3.11Å |
| 116 | A | 53.4 | Low | 62.3 | Low | 106 Ų | 106 | 114.3 Ų | 114.3 | 88% | 0.876 | 66% | 0.659 | S | S | * | * | | | trans | -75 | 95.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F114 | F114-A116 PolarHBondContact O-N 2.87Š|
| 117 | G | 54.5 | Low | 60.2 | Low | 40 Ų | 40 | 114.3 Ų | 114.3 | 41% | 0.412 | 65% | 0.651 | S | S | . | * | | | trans | -69.9 | 152.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G115 L119 | G115-G117 PolarHBondContact O-N 3.46Å; G115-G117 VanDerWaalsContact O-N 3.11Å; G117-L119 PolarHBondContact O-N 3.39Å |
| 118 | P | 54.5 | Low | 58.1 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 84% | 0.844 | 66% | 0.658 | S | S | * | * | | | trans | -68.4 | 104.7 | 179.4 | 27.4 | -33.8 | 0 | 0 | 0 | 111 | F120 | P118-F120 VanDerWaalsContact C-N 3.34Å; P118-F120 PolarHBondContact O-N 2.96Å |
| 119 | L | 44 | Very low | 55.7 | Low | 154 Ų | 154 | 122.1 Ų | 122.1 | 81% | 0.806 | 67% | 0.667 | S | S | * | * | | | trans | -95 | 37.8 | -178.7 | -70.7 | 176.3 | 0 | 0 | 0 | 113.4 | G117 | G117-L119 PolarHBondContact O-N 3.39Š|
| 120 | F | 36.1 | Very low | 53.4 | Low | 186 Ų | 186 | 123.7 Ų | 123.7 | 82% | 0.816 | 67% | 0.674 | S | S | * | * | | | trans | -136.6 | 113.4 | 172.3 | -65.5 | -72.9 | 0 | 0 | 0 | 110.9 | P118 | P118-F120 VanDerWaalsContact C-N 3.34Å; P118-F120 PolarHBondContact O-N 2.96Å |
| 121 | N | 34.2 | Very low | 50.9 | Low | 168 Ų | 168 | 125.7 Ų | 125.7 | 90% | 0.898 | 68% | 0.682 | S | S | * | * | | | trans | -171.9 | 80.6 | 153.2 | -97.8 | -18.5 | 0 | 0 | 0 | 107.8 | | |
| 122 | R | 36.4 | Very low | 48.6 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | | | trans | -130.8 | 76.9 | 165.2 | -169.7 | -178.8 | 178.5 | -179.3 | -4.1 | 109.3 | D124 | R122-D124 IonicContact CZ-OD1 2.69Å; R122-D124 IonicContact CZ-OD2 2.75Å; R122-D124 VanDerWaalsContact NE-CG 3.3Å; R122-D124 IonicContact NE-OD1 3.49Å; R122-D124 PolarHBondContact NE-OD1 2.85Å; R122-D124 IonicContact NE-OD2 3.37Å; R122-D124 PolarHBondContact NE-OD2 2.91Å; R122-D124 VanDerWaalsContact NH2-CG 3.32Å; R122-D124 IonicContact NH2-OD1 3.89Å; R122-D124 PolarHBondContact NH2-OD1 2.8Å; R122-D124 IonicContact NH2-OD2 2.99Å; R122-D124 PolarHBondContact NH2-OD2 2.86Å; R122-D124 PolarHBondContact O-N 3.42Å |
| 123 | S | 37.1 | Very low | 46.2 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -79.2 | 104.3 | 152.6 | -52.6 | 0 | 0 | 0 | 0 | 106.2 | | |
| 124 | D | 35.9 | Very low | 44.1 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | | | trans | -66 | 144.6 | 160.8 | -72.7 | -45.1 | 0 | 0 | 0 | 107.7 | R122 | R122-D124 IonicContact CZ-OD1 2.69Å; R122-D124 IonicContact CZ-OD2 2.75Å; R122-D124 VanDerWaalsContact NE-CG 3.3Å; R122-D124 IonicContact NE-OD1 3.49Å; R122-D124 PolarHBondContact NE-OD1 2.85Å; R122-D124 IonicContact NE-OD2 3.37Å; R122-D124 PolarHBondContact NE-OD2 2.91Å; R122-D124 VanDerWaalsContact NH2-CG 3.32Å; R122-D124 IonicContact NH2-OD1 3.89Å; R122-D124 PolarHBondContact NH2-OD1 2.8Å; R122-D124 IonicContact NH2-OD2 2.99Å; R122-D124 PolarHBondContact NH2-OD2 2.86Å; R122-D124 PolarHBondContact O-N 3.42Å |
| 125 | A | 39.2 | Very low | 41.8 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | | | trans | -95.7 | 124.6 | -163 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 126 | E | 42 | Very low | 40.6 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | | | trans | -133.8 | 140.7 | 159.7 | -68.2 | -167.2 | 136.1 | 0 | 0 | 110.5 | | |
| 127 | D | 40.7 | Very low | 39.7 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | | | trans | 60.9 | 135.4 | 165.5 | -84.2 | -19.8 | 0 | 0 | 0 | 124.5 | | |
| 128 | L | 40.4 | Very low | 38.8 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | | | trans | 51.4 | 103.6 | 144 | -61.1 | 163.6 | 0 | 0 | 0 | 118.1 | | |
| 129 | Q | 38.4 | Very low | 37.6 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | | 65.4 | 85.3 | 76.7 | -174.2 | 179.2 | 79 | 0 | 0 | 112.5 | | |
| 130 | E | 39.3 | Very low | 36.9 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | | -169 | 152 | 116.8 | -101.5 | -167.9 | 137.5 | 0 | 0 | 113.8 | | |
| 131 | Q | 36.7 | Very low | 37.1 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | 36.5 | 103 | 150.2 | -53.4 | 176.8 | 39.5 | 0 | 0 | 117.7 | | |
| 132 | Q | 37.4 | Very low | 37.2 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | | 55.1 | 139.6 | 64.1 | -58.6 | -164.8 | 42.3 | 0 | 0 | 116.1 | | |
| 133 | L | 39.2 | Very low | 37.2 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | 71.9 | 136.8 | 162.6 | -58.3 | 151.2 | 0 | 0 | 0 | 115 | | |
| 134 | M | 38.4 | Very low | 37.4 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | | | cis | -149.8 | 175.2 | 3.1 | -98.8 | -104.3 | -98.4 | 0 | 0 | 112.4 | | |
| 135 | A | 33 | Very low | 37.3 | Very low | 84 Ų | 84 | 138.5 Ų | 138.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | trans | -77.6 | -172.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 136 | P | 41.5 | Very low | 37.5 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | cis | -146.1 | 172.6 | 13.1 | 44.1 | -23.8 | 0 | 0 | 0 | 120.1 | | |
| 137 | T | 34.9 | Very low | 37.3 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | -16.9 | 140.1 | 146.3 | -47.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 138 | F | 35 | Very low | 37 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -151.7 | 164.5 | 137.4 | -99.1 | -67 | 0 | 0 | 0 | 112.3 | | |
| 139 | S | 29.1 | Very low | 37.2 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | -155.5 | 164.8 | 177.7 | -72.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 140 | S | 29.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 75.2 | 168.9 | 171.4 | -53.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 141 | P | 41.1 | Very low | 37 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -138.1 | -161 | -70.1 | 39.2 | -20.9 | 0 | 0 | 0 | 114.1 | | |
| 142 | Q | 36.7 | Very low | 37 | Very low | 186 Ų | 186 | 126.9 Ų | 126.9 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | 100.1 | 149.2 | 161.8 | -48.8 | -167.1 | -82.9 | 0 | 0 | 119.7 | | |
| 143 | L | 35 | Very low | 36.7 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -93.6 | 172.4 | 169.8 | -78.8 | 97.2 | 0 | 0 | 0 | 109.8 | | |
| 144 | P | 41.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | cis | -129.3 | -176.6 | 11.2 | 40.6 | -23.1 | 0 | 0 | 0 | 115.5 | | |
| 145 | G | 35.5 | Very low | 36.2 | Very low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -92.8 | -153.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 146 | P | 41.8 | Very low | 36.3 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | | | cis | -132.6 | 151.8 | 0.8 | 39.8 | -23.9 | 0 | 0 | 0 | 116 | | |
| 147 | A | 37.5 | Very low | 36.1 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -159 | 127.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 148 | S | 34.9 | Very low | 36 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -77.2 | 166.1 | 163.3 | -79.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 149 | P | 45 | Very low | 36.6 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | cis | -149.3 | 173.1 | 36.3 | 43.1 | -22.9 | 0 | 0 | 0 | 119.8 | | |
| 150 | A | 36 | Very low | 37 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | 49.7 | 137.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 151 | S | 37.6 | Very low | 37.4 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | cis | -127.7 | 129 | 20.9 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 152 | V | 36 | Very low | 36.9 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | | 58.3 | 103.1 | 76.6 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 153 | S | 31.2 | Very low | 36.9 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | cis | 86.8 | 103.7 | 31.5 | -166.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 154 | S | 35.1 | Very low | 37 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -159.4 | 110.3 | 152.1 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 155 | Q | 32.3 | Very low | 36.8 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -91.6 | 136.4 | 166.1 | -178.2 | -167.6 | -2.3 | 0 | 0 | 108.9 | | |
| 156 | P | 35 | Very low | 36.8 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | | -143.7 | 165.2 | 129 | 38.3 | -25.5 | 0 | 0 | 0 | 111.7 | | |
| 157 | Q | 37.8 | Very low | 36.5 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | cis | -163.7 | 160.4 | -22.2 | -110.7 | 175.2 | -33.7 | 0 | 0 | 105.3 | P159 | Q157-P159 WeakPolarHBondContact O-CD 3.39Š|
| 158 | V | 33.6 | Very low | 36.5 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -76.6 | 139 | 168.5 | 173.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 159 | P | 46.4 | Very low | 36.7 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -115.3 | 141.4 | 139.7 | 34.3 | -30.7 | 0 | 0 | 0 | 112.1 | Q157 | Q157-P159 WeakPolarHBondContact O-CD 3.39Š|
| 160 | D | 38.5 | Very low | 36.3 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | | | trans | -58.8 | 154.4 | 169.4 | -177.3 | 20.3 | 0 | 0 | 0 | 112.3 | | |
| 161 | G | 37.3 | Very low | 36.3 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 151.2 | 101.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 162 | G | 30.8 | Very low | 36.3 | Very low | 61 Ų | 61 | 139.5 Ų | 139.5 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | | | trans | -86.2 | -172.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 163 | S | 35.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | 66.4 | 48.4 | 154.8 | -53.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 164 | R | 37.3 | Very low | 36.6 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | trans | -131.6 | 16.6 | -179.8 | -65.7 | -153.6 | 67.4 | -155 | -7.8 | 119.3 | A166 T167 | R164-A166 PolarHBondContact O-N 2.93Å; R164-T167 PolarHBondContact NH2-OG1 2.51Å |
| 165 | W | 38.2 | Very low | 36.6 | Very low | 257 Ų | 257 | 148.7 Ų | 148.7 | 97% | 0.973 | 79% | 0.793 | S | S | * | * | | | trans | -76.3 | 37 | 174.5 | 66.7 | -89.3 | 0 | 0 | 0 | 114.9 | | |
| 166 | A | 35 | Very low | 36.9 | Very low | 87 Ų | 87 | 146.3 Ų | 146.3 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | trans | -140.4 | 95.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | R164 | R164-A166 PolarHBondContact O-N 2.93Š|
| 167 | T | 35.7 | Very low | 36.7 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 61% | 0.607 | 80% | 0.795 | S | S | * | * | | | trans | -144.5 | 124 | 171.3 | -67.1 | 0 | 0 | 0 | 0 | 108 | R164 | R164-T167 PolarHBondContact NH2-OG1 2.51Š|
| 168 | Y | 37.8 | Very low | 36.6 | Very low | 214 Ų | 214 | 144.5 Ų | 144.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -69.9 | 155.8 | -177.8 | -72.6 | -103.2 | 0 | 0 | 0 | 110.6 | E170 | Y168-E170 VanDerWaalsContact C-N 3.27Å; Y168-E170 PolarHBondContact O-N 3.42Å |
| 169 | L | 39 | Very low | 36.8 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -68.3 | 88.5 | 163.5 | -71.2 | 171.2 | 0 | 0 | 0 | 108.9 | L171 | L169-L171 PolarHBondContact O-N 3Š|
| 170 | E | 35.6 | Very low | 36.6 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -74.8 | 71.1 | 174.7 | -168.2 | 163.3 | -143.9 | 0 | 0 | 109.9 | Y168 | Y168-E170 VanDerWaalsContact C-N 3.27Å; Y168-E170 PolarHBondContact O-N 3.42Å |
| 171 | L | 37.5 | Very low | 37 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -67.2 | 126.8 | 175.2 | -73.8 | 168.8 | 0 | 0 | 0 | 109.7 | L169 | L169-L171 PolarHBondContact O-N 3Š|
| 172 | P | 37.5 | Very low | 37.7 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | trans | -68 | 134.6 | -176.8 | 26.9 | -34.1 | 0 | 0 | 0 | 110.8 | R174 | P172-R174 PolarHBondContact O-N 2.86Š|
| 173 | P | 38.3 | Very low | 39.3 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 92% | 0.922 | 77% | 0.767 | S | S | * | * | | | trans | -74.5 | 90.9 | -178 | 30.1 | -34.8 | 0 | 0 | 0 | 110.7 | | |
| 174 | R | 33.6 | Very low | 41 | Very low | 227 Ų | 227 | 142.3 Ų | 142.3 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -113 | 134.2 | 175.6 | -147.3 | 172.1 | -171.9 | 172.4 | 1.7 | 110.1 | P172 | P172-R174 PolarHBondContact O-N 2.86Š|
| 175 | E | 36.2 | Very low | 42.8 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 77.2 | 138.6 | 179.9 | -49.6 | -152.6 | 148.3 | 0 | 0 | 118.1 | S177 | E175-S177 PolarHBondContact O-N 2.96Š|
| 176 | P | 37.5 | Very low | 44.6 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | | | trans | -90.2 | 91.1 | -175.4 | 35.4 | -34 | 0 | 0 | 0 | 112.5 | | |
| 177 | S | 30.9 | Very low | 46.4 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | | | trans | -66.9 | 127.7 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | E175 A179 | E175-S177 PolarHBondContact O-N 2.96Å; S177-A179 VanDerWaalsContact C-N 3.28Å; S177-A179 PolarHBondContact O-N 3.03Å |
| 178 | P | 37.3 | Very low | 48 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | | | trans | -82.5 | 60.2 | -172.5 | 34.7 | -37.4 | 0 | 0 | 0 | 113.3 | | |
| 179 | A | 36.8 | Very low | 49.4 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | | | trans | -114.8 | 67.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S177 S181 | S177-A179 VanDerWaalsContact C-N 3.28Å; S177-A179 PolarHBondContact O-N 3.03Å; A179-S181 PolarHBondContact O-N 2.91Å |
| 180 | V | 42.9 | Very low | 50.2 | Low | 115 Ų | 115 | 117.9 Ų | 117.9 | 70% | 0.697 | 67% | 0.671 | S | S | * | * | | | trans | -72.7 | 108.1 | 173 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | G182 | V180-G182 VanDerWaalsContact C-N 3.34Å; V180-G182 PolarHBondContact O-N 3.04Å |
| 181 | S | 46.8 | Very low | 51.4 | Low | 118 Ų | 118 | 113.6 Ų | 113.6 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | | | trans | -63.4 | 88 | 175.2 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | A179 Q183 | A179-S181 PolarHBondContact O-N 2.91Å; S181-Q183 PolarHBondContact O-N 2.63Å |
| 182 | G | 52.3 | Low | 52.4 | Low | 40 Ų | 40 | 114.7 Ų | 114.7 | 41% | 0.412 | 66% | 0.655 | S | S | . | * | | | trans | -62.4 | 120.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V180 Y184 | V180-G182 VanDerWaalsContact C-N 3.34Å; V180-G182 PolarHBondContact O-N 3.04Å; G182-Y184 WeakPolarHBondContact O-CD2 3.33Å; G182-Y184 WeakPolarHBondContact O-CE2 3.38Å; G182-Y184 PolarHBondContact O-N 3.37Å |
| 183 | Q | 63.9 | Low | 53.3 | Low | 129 Ų | 129 | 118 Ų | 118 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | | | trans | -77.2 | 111 | 164.5 | -68.7 | -170.5 | 5.3 | 0 | 0 | 107.7 | S181 R213 | S181-Q183 PolarHBondContact O-N 2.63Å; Q183-R213 HydrophobicContact CB-CB 4.09Å; Q183-R213 WeakPolarHBondContact O-CB 3.06Å; Q183-R213 PolarHBondContact O-N 2.88Å |
| 184 | Y | 71.5 | Confident | 53.6 | Low | 152 Ų | 152 | 121 Ų | 121 | 60% | 0.596 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 143.4 | 173.9 | -63.5 | -90.1 | 0 | 0 | 0 | 110.2 | G182 L210 R211 P212 | G182-Y184 WeakPolarHBondContact O-CD2 3.33Å; G182-Y184 WeakPolarHBondContact O-CE2 3.38Å; G182-Y184 PolarHBondContact O-N 3.37Å; Y184-L210 HydrophobicContact CD1-CB 4.2Å; Y184-R211 CarbonylContact C-O 3.59Å; Y184-R211 WeakPolarHBondContact CA-O 3.27Å; Y184-P212 HydrophobicContact CE1-CG 4.3Å |
| 185 | E | 75.4 | Confident | 54.3 | Low | 97 Ų | 97 | 116.1 Ų | 116.1 | 45% | 0.453 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.3 | 177.1 | -174 | 160.8 | -171.6 | 0 | 0 | 109.2 | V187 R211 | E185-V187 PolarHBondContact O-N 3.15Å; E185-R211 PolarHBondContact N-O 3.4Å; E185-R211 PolarHBondContact O-N 2.82Å |
| 186 | C | 75.4 | Confident | 54.9 | Low | 94 Ų | 94 | 111 Ų | 111 | 64% | 0.635 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 105.8 | -179 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | I208 L210 | C186-I208 HydrophobicContact CB-CG2 3.86Å; C186-L210 HydrophobicContact CB-CD2 4.49Å; C186-L210 WeakPolarHBondContact SG-CD2 3.16Å |
| 187 | V | 72.4 | Confident | 55.5 | Low | 50 Ų | 50 | 110.7 Ų | 110.7 | 30% | 0.303 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.4 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | E185 V189 E209 R211 | E185-V187 PolarHBondContact O-N 3.15Å; V187-V189 HydrophobicContact CG1-CG2 4.42Å; V187-V189 PolarHBondContact O-N 3.01Å; V187-E209 PolarHBondContact N-O 3.45Å; V187-E209 PolarHBondContact O-N 3.44Å; V187-R211 HydrophobicContact CG2-CB 4.21Å; V187-R211 HydrophobicContact CG2-CG 4.11Å |
| 188 | E | 70.3 | Confident | 56.2 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 53% | 0.528 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78 | 119.3 | 174.1 | -178.2 | 165.3 | -131.9 | 0 | 0 | 110 | R206 | E188-R206 WeakPolarHBondContact OE1-CB 3.42Å; E188-R206 WeakPolarHBondContact OE1-CD 3.5Å; E188-R206 VanDerWaalsContact OE1-CG 3.27Å; E188-R206 WeakPolarHBondContact OE1-CG 3.21Å; E188-R206 IonicContact OE1-CZ 2.92Å; E188-R206 IonicContact OE1-NE 2.89Å; E188-R206 IonicContact OE1-NH1 3.19Å; E188-R206 PolarHBondContact OE1-NH1 2.67Å; E188-R206 IonicContact OE2-CZ 3.36Å; E188-R206 IonicContact OE2-NH1 2.91Å; E188-R206 PolarHBondContact OE2-NH1 2.8Å |
| 189 | V | 66.1 | Low | 57.1 | Low | 49 Ų | 49 | 116.8 Ų | 116.8 | 30% | 0.297 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.6 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | V187 L191 Q207 E209 | V187-V189 HydrophobicContact CG1-CG2 4.42Å; V187-V189 PolarHBondContact O-N 3.01Å; V189-L191 PolarHBondContact O-N 2.81Å; V189-Q207 PolarHBondContact N-O 3.31Å; V189-Q207 PolarHBondContact O-N 2.98Å; V189-E209 HydrophobicContact CG2-CB 3.83Å |
| 190 | A | 57.1 | Low | 57.7 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 74% | 0.744 | 65% | 0.649 | S | S | * | * | | | trans | -75.1 | 118.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | E192 | A190-E192 PolarHBondContact O-N 2.85Š|
| 191 | L | 60.4 | Low | 58 | Low | 101 Ų | 101 | 124.4 Ų | 124.4 | 53% | 0.529 | 66% | 0.66 | S | S | . | * | | | trans | -71.4 | 109.5 | 167.2 | -86.5 | 166.9 | 0 | 0 | 0 | 109.2 | V189 E193 Q207 | V189-L191 PolarHBondContact O-N 2.81Å; L191-E193 VanDerWaalsContact C-N 3.34Å; L191-E193 PolarHBondContact O-N 2.92Å; L191-Q207 HydrophobicContact CD1-CB 4.3Å |
| 192 | E | 57.5 | Low | 58.3 | Low | 163 Ų | 163 | 124.9 Ų | 124.9 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | | | trans | -75.8 | 83.3 | 175.8 | -165.8 | -173.3 | 163.6 | 0 | 0 | 110.4 | A190 R194 | A190-E192 PolarHBondContact O-N 2.85Å; E192-R194 PolarHBondContact O-N 3.08Å |
| 193 | E | 56.8 | Low | 58.4 | Low | 175 Ų | 175 | 128.9 Ų | 128.9 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | | | trans | -69 | 95.6 | 177.1 | -171.1 | 172.1 | -160.4 | 0 | 0 | 110.6 | L191 S195 | L191-E193 VanDerWaalsContact C-N 3.34Å; L191-E193 PolarHBondContact O-N 2.92Å; E193-S195 PolarHBondContact O-N 3.46Å |
| 194 | R | 46 | Very low | 57.9 | Low | 205 Ų | 205 | 127.7 Ų | 127.7 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | | | trans | -63.1 | 119.4 | -176.4 | -71.3 | -176.4 | 173.8 | 179.6 | -1.6 | 112.5 | E192 | E192-R194 PolarHBondContact O-N 3.08Š|
| 195 | S | 46.8 | Very low | 57.6 | Low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 50.9 | 67.5 | 153.9 | 59.6 | 0 | 0 | 0 | 0 | 116.7 | E193 | E193-S195 PolarHBondContact O-N 3.46Š|
| 196 | A | 49.6 | Very low | 57.1 | Low | 73 Ų | 73 | 132.7 Ų | 132.7 | 60% | 0.603 | 70% | 0.696 | S | S | * | * | | | trans | -124.6 | 144.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 197 | P | 49.9 | Very low | 57 | Low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | | | trans | -72.3 | 135.6 | -171.6 | 27.1 | -34.2 | 0 | 0 | 0 | 113.6 | R199 | P197-R199 PolarHBondContact O-N 3.15Š|
| 198 | V | 45.1 | Very low | 57.1 | Low | 137 Ų | 137 | 136.4 Ų | 136.4 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | | | trans | -40.8 | 109.9 | -174.2 | -175.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 199 | R | 56.4 | Low | 57.3 | Low | 226 Ų | 226 | 134.4 Ų | 134.4 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | | | trans | -110.7 | 106.3 | 166.3 | -76.2 | -174.8 | 173.3 | -178.8 | -0.6 | 110.8 | P197 R201 | P197-R199 PolarHBondContact O-N 3.15Å; R199-R201 PolarHBondContact O-N 3.49Å; R199-R201 VanDerWaalsContact O-N 3.07Å |
| 200 | P | 48.6 | Very low | 57.8 | Low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 90.3 | -175.2 | 31.9 | -34.4 | 0 | 0 | 0 | 112 | | |
| 201 | R | 50.7 | Low | 58.7 | Low | 247 Ų | 247 | 138.4 Ų | 138.4 | 93% | 0.932 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.8 | -17.8 | 154.6 | -105.6 | 146.3 | -171.6 | 142.4 | 1.6 | 117.4 | R199 | R199-R201 PolarHBondContact O-N 3.49Å; R199-R201 VanDerWaalsContact O-N 3.07Å |
| 202 | T | 52.6 | Low | 59.4 | Low | 128 Ų | 128 | 138.3 Ų | 138.3 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 138.5 | -176.6 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 203 | V | 55 | Low | 60.2 | Low | 124 Ų | 124 | 137.3 Ų | 137.3 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 130.9 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | K205 | V203-K205 PolarHBondContact O-N 3.33Š|
| 204 | P | 52.7 | Low | 60.3 | Low | 103 Ų | 103 | 134.2 Ų | 134.2 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 130.9 | 178.1 | -26.5 | 35.3 | 0 | 0 | 0 | 112.3 | R206 | P204-R206 PolarHBondContact O-N 3.07Š|
| 205 | K | 64.6 | Low | 60.9 | Low | 180 Ų | 180 | 134.9 Ų | 134.9 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | | | trans | -79 | 85.9 | -175.3 | -163.5 | -179.6 | -176.6 | -173.5 | 0 | 110.6 | V203 | V203-K205 PolarHBondContact O-N 3.33Š|
| 206 | R | 66.2 | Low | 61 | Low | 174 Ų | 174 | 133.8 Ų | 133.8 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | | | trans | -65.1 | 139.2 | 172 | -70.7 | 154.3 | 169.6 | -107.5 | -1.4 | 110.3 | E188 P204 | E188-R206 WeakPolarHBondContact OE1-CB 3.42Å; E188-R206 WeakPolarHBondContact OE1-CD 3.5Å; E188-R206 VanDerWaalsContact OE1-CG 3.27Å; E188-R206 WeakPolarHBondContact OE1-CG 3.21Å; E188-R206 IonicContact OE1-CZ 2.92Å; E188-R206 IonicContact OE1-NE 2.89Å; E188-R206 IonicContact OE1-NH1 3.19Å; E188-R206 PolarHBondContact OE1-NH1 2.67Å; E188-R206 IonicContact OE2-CZ 3.36Å; E188-R206 IonicContact OE2-NH1 2.91Å; E188-R206 PolarHBondContact OE2-NH1 2.8Å; P204-R206 PolarHBondContact O-N 3.07Å |
| 207 | Q | 72.4 | Confident | 60.8 | Low | 106 Ų | 106 | 136 Ų | 136 | 50% | 0.495 | 68% | 0.684 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 138 | 174.5 | -177.8 | 168.5 | -33.8 | 0 | 0 | 109.5 | V189 L191 | V189-Q207 PolarHBondContact N-O 3.31Å; V189-Q207 PolarHBondContact O-N 2.98Å; L191-Q207 HydrophobicContact CD1-CB 4.3Å |
| 208 | I | 74 | Confident | 60.5 | Low | 116 Ų | 116 | 134.9 Ų | 134.9 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.7 | 174.3 | -57.6 | 174.4 | 0 | 0 | 0 | 107.5 | C186 | C186-I208 HydrophobicContact CB-CG2 3.86Å |
| 209 | E | 76.1 | Confident | 60.4 | Low | 72 Ų | 72 | 135.7 Ų | 135.7 | 34% | 0.336 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.2 | 173.2 | -163.4 | -167.4 | 135 | 0 | 0 | 109.1 | V187 V189 R211 | V187-E209 PolarHBondContact N-O 3.45Å; V187-E209 PolarHBondContact O-N 3.44Å; V189-E209 HydrophobicContact CG2-CB 3.83Å; E209-R211 HydrophobicContact CG-CG 4.29Å; E209-R211 PolarHBondContact O-N 2.8Å; E209-R211 VanDerWaalsContact OE1-CG 3.31Å; E209-R211 WeakPolarHBondContact OE1-CG 3.41Å; E209-R211 IonicContact OE1-CZ 3.49Å; E209-R211 IonicContact OE1-NE 2.73Å; E209-R211 PolarHBondContact OE1-NE 2.89Å; E209-R211 IonicContact OE1-NH2 3.39Å; E209-R211 PolarHBondContact OE1-NH2 3.3Å; E209-R211 IonicContact OE2-CZ 3.44Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 3.34Å; E209-R211 IonicContact OE2-NH2 2.73Å; E209-R211 PolarHBondContact OE2-NH2 3.11Å |
| 210 | L | 75.9 | Confident | 59.5 | Low | 105 Ų | 105 | 131.8 Ų | 131.8 | 55% | 0.55 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 95.7 | 175.1 | -68.6 | -179.8 | 0 | 0 | 0 | 109.6 | Y184 C186 | Y184-L210 HydrophobicContact CD1-CB 4.2Å; C186-L210 HydrophobicContact CB-CD2 4.49Å; C186-L210 WeakPolarHBondContact SG-CD2 3.16Å |
| 211 | R | 76.5 | Confident | 59.1 | Low | 117 Ų | 117 | 131.7 Ų | 131.7 | 44% | 0.442 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 136.4 | 179.1 | -69.2 | -164 | 173 | 164.1 | 8.2 | 111.1 | Y184 E185 V187 E209 R213 | Y184-R211 CarbonylContact C-O 3.59Å; Y184-R211 WeakPolarHBondContact CA-O 3.27Å; E185-R211 PolarHBondContact N-O 3.4Å; E185-R211 PolarHBondContact O-N 2.82Å; V187-R211 HydrophobicContact CG2-CB 4.21Å; V187-R211 HydrophobicContact CG2-CG 4.11Å; E209-R211 HydrophobicContact CG-CG 4.29Å; E209-R211 PolarHBondContact O-N 2.8Å; E209-R211 VanDerWaalsContact OE1-CG 3.31Å; E209-R211 WeakPolarHBondContact OE1-CG 3.41Å; E209-R211 IonicContact OE1-CZ 3.49Å; E209-R211 IonicContact OE1-NE 2.73Å; E209-R211 PolarHBondContact OE1-NE 2.89Å; E209-R211 IonicContact OE1-NH2 3.39Å; E209-R211 PolarHBondContact OE1-NH2 3.3Å; E209-R211 IonicContact OE2-CZ 3.44Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 3.34Å; E209-R211 IonicContact OE2-NH2 2.73Å; E209-R211 PolarHBondContact OE2-NH2 3.11Å; R211-R213 PolarHBondContact O-N 2.89Å |
| 212 | P | 74.7 | Confident | 58.3 | Low | 99 Ų | 99 | 132.4 Ų | 132.4 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.6 | 125.8 | 170.3 | -20.8 | 32.5 | 0 | 0 | 0 | 109.9 | Y184 | Y184-P212 HydrophobicContact CE1-CG 4.3Å |
| 213 | R | 73.3 | Confident | 57.9 | Low | 142 Ų | 142 | 129.8 Ų | 129.8 | 54% | 0.536 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -65 | 127.9 | 179.3 | -164.9 | 179.7 | -159.9 | -172 | 4.7 | 109.5 | Q183 R211 R215 | Q183-R213 HydrophobicContact CB-CB 4.09Å; Q183-R213 WeakPolarHBondContact O-CB 3.06Å; Q183-R213 PolarHBondContact O-N 2.88Å; R211-R213 PolarHBondContact O-N 2.89Å; R213-R215 PolarHBondContact O-N 2.84Å |
| 214 | P | 60.4 | Low | 57.4 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.6 | -179.9 | 24.4 | -33.3 | 0 | 0 | 0 | 109.9 | S216 | P214-S216 PolarHBondContact O-N 2.76Š|
| 215 | R | 58.1 | Low | 56.7 | Low | 218 Ų | 218 | 134.3 Ų | 134.3 | 82% | 0.823 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125 | 173.7 | -73.7 | -178.7 | 174.5 | 168.7 | -1.6 | 108.5 | R213 | R213-R215 PolarHBondContact O-N 2.84Š|
| 216 | S | 48.9 | Very low | 55.6 | Low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 141.3 | 166.1 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | P214 S218 | P214-S216 PolarHBondContact O-N 2.76Å; S216-S218 PolarHBondContact O-N 2.74Å |
| 217 | P | 45.8 | Very low | 54.3 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.2 | -173.2 | 23.1 | -34.1 | 0 | 0 | 0 | 111.9 | Q219 | P217-Q219 PolarHBondContact O-N 2.63Š|
| 218 | S | 43.4 | Very low | 52.7 | Low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.3 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | S216 D220 | S216-S218 PolarHBondContact O-N 2.74Å; S218-D220 PolarHBondContact O-N 2.78Å |
| 219 | Q | 43.2 | Very low | 51.1 | Low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | | | trans | -79.2 | 78.7 | 167.2 | -82.9 | -170.9 | -43.4 | 0 | 0 | 109.9 | P217 S221 | P217-Q219 PolarHBondContact O-N 2.63Å; Q219-S221 PolarHBondContact O-N 2.69Å |
| 220 | D | 36.5 | Very low | 49.6 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | trans | -70.3 | 90.5 | 169.3 | -73.8 | -51.9 | 0 | 0 | 0 | 110.5 | S218 | S218-D220 PolarHBondContact O-N 2.78Š|
| 221 | S | 40.8 | Very low | 48.2 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -171.5 | 104.6 | 151.4 | 21.3 | 0 | 0 | 0 | 0 | 114.1 | Q219 A223 | Q219-S221 PolarHBondContact O-N 2.69Å; S221-A223 PolarHBondContact O-N 3.03Å; S221-A223 VanDerWaalsContact O-N 3.1Å |
| 222 | R | 34 | Very low | 46.7 | Very low | 262 Ų | 262 | 148.4 Ų | 148.4 | 99% | 0.989 | 76% | 0.763 | S | S | * | * | | | | 48.9 | 49.2 | 127.4 | -148.4 | -177.2 | -165.6 | -167.5 | 4.3 | 118.9 | | |
| 223 | A | 44 | Very low | 45.5 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 60% | 0.595 | 75% | 0.745 | S | S | * | * | | | trans | -143.5 | 138.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S221 R225 | S221-A223 PolarHBondContact O-N 3.03Å; S221-A223 VanDerWaalsContact O-N 3.1Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 2.88Å |
| 224 | P | 44.3 | Very low | 45 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | | | trans | -72.7 | 88.5 | 175.5 | 30.7 | -33.6 | 0 | 0 | 0 | 109.4 | | |
| 225 | R | 38.8 | Very low | 45.6 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 124.2 | 172.8 | -71.7 | -174.8 | 173.7 | 178.3 | -1.7 | 108.3 | A223 R227 | A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 2.88Å; R225-R227 PolarHBondContact O-N 3.23Å |
| 226 | P | 41.2 | Very low | 46.7 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60 | 135.4 | 177.3 | 25.7 | -33.4 | 0 | 0 | 0 | 108.3 | L228 | P226-L228 PolarHBondContact O-N 3.08Å; P226-L228 VanDerWaalsContact O-N 3.17Å |
| 227 | R | 38.2 | Very low | 47.9 | Very low | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 125.9 | 171.9 | -73.5 | 177.4 | 170.4 | 160.1 | -4.4 | 107.8 | R225 L229 | R225-R227 PolarHBondContact O-N 3.23Å; R227-L229 HydrophobicContact CB-CG 4.15Å; R227-L229 PolarHBondContact O-N 2.74Å |
| 228 | L | 39.8 | Very low | 49.4 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 94% | 0.942 | 70% | 0.7 | S | S | * | * | | | trans | -72.1 | 57.4 | 164.3 | -73.9 | 173.2 | 0 | 0 | 0 | 110.2 | P226 | P226-L228 PolarHBondContact O-N 3.08Å; P226-L228 VanDerWaalsContact O-N 3.17Å |
| 229 | L | 39.3 | Very low | 51.4 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 62% | 0.618 | 69% | 0.688 | S | S | * | * | | | trans | -53.4 | 146.1 | 141.6 | -62.1 | 173.1 | 0 | 0 | 0 | 106.7 | R227 R231 | R227-L229 HydrophobicContact CB-CG 4.15Å; R227-L229 PolarHBondContact O-N 2.74Å; L229-R231 HydrophobicContact CB-CB 4.33Å; L229-R231 PolarHBondContact O-N 2.93Å |
| 230 | L | 45.2 | Very low | 53.1 | Low | 178 Ų | 178 | 129.7 Ų | 129.7 | 93% | 0.932 | 68% | 0.679 | S | S | * | * | | | trans | -70.4 | 63.6 | 156.5 | -76.2 | 161.7 | 0 | 0 | 0 | 108.2 | T232 | L230-T232 PolarHBondContact O-N 3.06Š|
| 231 | R | 45.3 | Very low | 55.4 | Low | 220 Ų | 220 | 129.1 Ų | 129.1 | 83% | 0.83 | 67% | 0.666 | S | S | * | * | | | trans | -66.5 | 107 | 171.6 | -159.6 | 178.6 | -161.5 | -176.2 | 4.8 | 104.8 | L229 G233 | L229-R231 HydrophobicContact CB-CB 4.33Å; L229-R231 PolarHBondContact O-N 2.93Å; R231-G233 VanDerWaalsContact C-N 3.33Å; R231-G233 PolarHBondContact O-N 3.31Å |
| 232 | T | 45.9 | Very low | 57.7 | Low | 134 Ų | 134 | 130 Ų | 130 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | | | trans | -55.9 | 101.8 | 170.1 | 48 | 0 | 0 | 0 | 0 | 107.2 | L230 | L230-T232 PolarHBondContact O-N 3.06Š|
| 233 | G | 50.2 | Low | 60.4 | Low | 25 Ų | 25 | 123.9 Ų | 123.9 | 26% | 0.258 | 64% | 0.644 | S | S | . | * | | | trans | -53.4 | 153.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R231 E237 | R231-G233 VanDerWaalsContact C-N 3.33Å; R231-G233 PolarHBondContact O-N 3.31Å; G233-E237 WeakPolarHBondContact CA-OE2 3.22Å |
| 234 | S | 61.3 | Low | 62.5 | Low | 68 Ų | 68 | 123.1 Ų | 123.1 | 48% | 0.476 | 64% | 0.638 | S | S | . | * | | | trans | -54.5 | 158.4 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | D236 E237 S238 | S234-D236 PolarHBondContact O-N 3.43Å; S234-E237 PolarHBondContact O-N 3.38Å; S234-E237 PolarHBondContact OG-N 3.18Å; S234-S238 PolarHBondContact O-N 2.9Å |
| 235 | L | 74.2 | Confident | 64.7 | Low | 127 Ų | 127 | 119 Ų | 119 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -52.9 | -42.1 | 178.3 | -161.7 | 156.6 | 0 | 0 | 0 | 109.7 | E237 S238 L239 | L235-E237 PolarHBondContact O-N 3.1Å; L235-S238 CarbonylContact O-C 3.46Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-S238 PolarHBondContact O-OG 3.5Å; L235-L239 HydrophobicContact CD2-CD1 4.16Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.46Å; L235-L239 PolarHBondContact O-N 3Å |
| 236 | D | 79.5 | Confident | 67.2 | Low | 118 Ų | 118 | 112 Ų | 112 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.8 | -42.6 | 172.6 | -51.8 | -37.8 | 0 | 0 | 0 | 114.1 | S234 S238 L239 S240 | S234-D236 PolarHBondContact O-N 3.43Å; D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.12Å; D236-L239 PolarHBondContact O-N 3.08Å; D236-S240 WeakPolarHBondContact O-CB 3.07Å; D236-S240 PolarHBondContact O-N 3.25Å |
| 237 | E | 75.1 | Confident | 69.6 | Low | 93 Ų | 93 | 107.8 Ų | 107.8 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.1 | -29.6 | 178.8 | -151.4 | -155 | 167.6 | 0 | 0 | 111.3 | G233 S234 L235 R241 | G233-E237 WeakPolarHBondContact CA-OE2 3.22Å; S234-E237 PolarHBondContact O-N 3.38Å; S234-E237 PolarHBondContact OG-N 3.18Å; L235-E237 PolarHBondContact O-N 3.1Å; E237-R241 VanDerWaalsContact CD-CZ 3.42Å; E237-R241 WeakPolarHBondContact O-CB 3.29Å; E237-R241 WeakPolarHBondContact O-CG 3.3Å; E237-R241 PolarHBondContact O-N 2.85Å; E237-R241 PolarHBondContact O-NE 3.41Å; E237-R241 VanDerWaalsContact O-NE 3.12Å; E237-R241 PolarHBondContact O-NH2 3.03Å; E237-R241 IonicContact OE1-CZ 2.76Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.19Å; E237-R241 IonicContact OE1-NH2 3.18Å; E237-R241 PolarHBondContact OE1-NH2 2.84Å; E237-R241 IonicContact OE2-CZ 3.15Å; E237-R241 IonicContact OE2-NH1 2.69Å; E237-R241 IonicContact OE2-NH2 2.74Å; E237-R241 PolarHBondContact OE2-NH2 3.13Å |
| 238 | S | 77.1 | Confident | 72.1 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 43% | 0.427 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.9 | -38 | 170.3 | 82.2 | 0 | 0 | 0 | 0 | 112.2 | S234 L235 D236 R241 L242 | S234-S238 PolarHBondContact O-N 2.9Å; L235-S238 CarbonylContact O-C 3.46Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-S238 PolarHBondContact O-OG 3.5Å; D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.12Å; S238-R241 PolarHBondContact O-N 2.86Å; S238-L242 WeakPolarHBondContact O-CB 3.48Å; S238-L242 PolarHBondContact O-N 3.38Å |
| 239 | L | 85.2 | Confident | 74.6 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 45% | 0.45 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.3 | -40.8 | 179.8 | -168.3 | 156.4 | 0 | 0 | 0 | 111 | L235 D236 L242 Q243 | L235-L239 HydrophobicContact CD2-CD1 4.16Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.46Å; L235-L239 PolarHBondContact O-N 3Å; D236-L239 PolarHBondContact O-N 3.08Å; L239-L242 CarbonylContact O-C 3.57Å; L239-L242 WeakPolarHBondContact O-CB 3.3Å; L239-L242 PolarHBondContact O-N 3.05Å; L239-Q243 WeakPolarHBondContact O-CB 3.36Å; L239-Q243 PolarHBondContact O-N 3.42Å |
| 240 | S | 80.2 | Confident | 76.9 | Confident | 73 Ų | 73 | 99.3 Ų | 99.3 | 51% | 0.51 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 172 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | D236 L242 Q243 A244 | D236-S240 WeakPolarHBondContact O-CB 3.07Å; D236-S240 PolarHBondContact O-N 3.25Å; S240-L242 VanDerWaalsContact C-N 3.35Å; S240-L242 PolarHBondContact O-N 2.92Å; S240-Q243 PolarHBondContact O-N 2.79Å; S240-A244 WeakPolarHBondContact O-CB 3.33Å; S240-A244 PolarHBondContact O-N 3.34Å |
| 241 | R | 83.9 | Confident | 78.8 | Confident | 133 Ų | 133 | 94.8 Ų | 94.8 | 50% | 0.502 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 170.7 | -82.4 | -177.4 | -80.1 | -105.9 | 0.5 | 112.6 | E237 S238 A245 | E237-R241 VanDerWaalsContact CD-CZ 3.42Å; E237-R241 WeakPolarHBondContact O-CB 3.29Å; E237-R241 WeakPolarHBondContact O-CG 3.3Å; E237-R241 PolarHBondContact O-N 2.85Å; E237-R241 PolarHBondContact O-NE 3.41Å; E237-R241 VanDerWaalsContact O-NE 3.12Å; E237-R241 PolarHBondContact O-NH2 3.03Å; E237-R241 IonicContact OE1-CZ 2.76Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.19Å; E237-R241 IonicContact OE1-NH2 3.18Å; E237-R241 PolarHBondContact OE1-NH2 2.84Å; E237-R241 IonicContact OE2-CZ 3.15Å; E237-R241 IonicContact OE2-NH1 2.69Å; E237-R241 IonicContact OE2-NH2 2.74Å; E237-R241 PolarHBondContact OE2-NH2 3.13Å; S238-R241 PolarHBondContact O-N 2.86Å; R241-A245 WeakPolarHBondContact O-CB 3.3Å; R241-A245 PolarHBondContact O-N 3.45Å |
| 242 | L | 89.5 | Confident | 80.6 | Confident | 123 Ų | 123 | 86.7 Ų | 86.7 | 64% | 0.644 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.1 | -39.2 | 175.9 | -178 | 61.5 | 0 | 0 | 0 | 112 | S238 L239 S240 A245 A246 | S238-L242 WeakPolarHBondContact O-CB 3.48Å; S238-L242 PolarHBondContact O-N 3.38Å; L239-L242 CarbonylContact O-C 3.57Å; L239-L242 WeakPolarHBondContact O-CB 3.3Å; L239-L242 PolarHBondContact O-N 3.05Å; S240-L242 VanDerWaalsContact C-N 3.35Å; S240-L242 PolarHBondContact O-N 2.92Å; L242-A245 PolarHBondContact O-N 2.89Å; L242-A246 WeakPolarHBondContact O-CB 3.38Å; L242-A246 PolarHBondContact O-N 2.91Å |
| 243 | Q | 90.9 | Very high | 82.6 | Confident | 134 Ų | 134 | 84.6 Ų | 84.6 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.7 | -39.4 | 176.8 | -174.8 | 172.5 | -7.8 | 0 | 0 | 111.5 | L239 S240 A246 G247 | L239-Q243 WeakPolarHBondContact O-CB 3.36Å; L239-Q243 PolarHBondContact O-N 3.42Å; S240-Q243 PolarHBondContact O-N 2.79Å; Q243-A246 PolarHBondContact O-N 3.41Å; Q243-G247 PolarHBondContact O-N 2.98Å |
| 244 | A | 87 | Confident | 84 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S240 G247 I248 | S240-A244 WeakPolarHBondContact O-CB 3.33Å; S240-A244 PolarHBondContact O-N 3.34Å; A244-G247 PolarHBondContact O-N 3.12Å; A244-I248 WeakPolarHBondContact O-CG1 3.39Å; A244-I248 PolarHBondContact O-N 3.25Å |
| 245 | A | 90.1 | Very high | 84.9 | Confident | 46 Ų | 46 | 93.2 Ų | 93.2 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R241 L242 I248 V249 | R241-A245 WeakPolarHBondContact O-CB 3.3Å; R241-A245 PolarHBondContact O-N 3.45Å; L242-A245 PolarHBondContact O-N 2.89Å; A245-I248 PolarHBondContact O-N 3.21Å; A245-V249 WeakPolarHBondContact O-CG2 3.41Å; A245-V249 PolarHBondContact O-N 2.88Å |
| 246 | A | 91.8 | Very high | 85 | Confident | 42 Ų | 42 | 95.5 Ų | 95.5 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L242 Q243 I248 V249 Q250 | L242-A246 WeakPolarHBondContact O-CB 3.38Å; L242-A246 PolarHBondContact O-N 2.91Å; Q243-A246 PolarHBondContact O-N 3.41Å; A246-I248 PolarHBondContact O-N 3.44Å; A246-V249 PolarHBondContact O-N 2.92Å; A246-Q250 VanDerWaalsContact O-CB 3.31Å; A246-Q250 WeakPolarHBondContact O-CB 3.3Å; A246-Q250 VanDerWaalsContact O-CG 3.28Å; A246-Q250 WeakPolarHBondContact O-CG 3.38Å; A246-Q250 PolarHBondContact O-N 2.91Å |
| 247 | G | 91.6 | Very high | 84.9 | Confident | 27 Ų | 27 | 96.4 Ų | 96.4 | 28% | 0.278 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q243 A244 T251 | Q243-G247 PolarHBondContact O-N 2.98Å; A244-G247 PolarHBondContact O-N 3.12Å; G247-T251 WeakPolarHBondContact O-CB 3.27Å; G247-T251 WeakPolarHBondContact O-CG2 3.47Å; G247-T251 PolarHBondContact O-N 3.19Å; G247-T251 PolarHBondContact O-OG1 3.33Å |
| 248 | I | 90.8 | Very high | 84 | Confident | 118 Ų | 118 | 93.8 Ų | 93.8 | 61% | 0.605 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -43 | 172.6 | -68.1 | 164 | 0 | 0 | 0 | 110.9 | A244 A245 A246 T251 A252 | A244-I248 WeakPolarHBondContact O-CG1 3.39Å; A244-I248 PolarHBondContact O-N 3.25Å; A245-I248 PolarHBondContact O-N 3.21Å; A246-I248 PolarHBondContact O-N 3.44Å; I248-T251 WeakPolarHBondContact CA-OG1 3.49Å; I248-T251 PolarHBondContact O-OG1 2.93Å; I248-A252 VanDerWaalsContact O-CB 3.23Å; I248-A252 WeakPolarHBondContact O-CB 3.48Å; I248-A252 PolarHBondContact O-N 2.8Å |
| 249 | V | 93.2 | Very high | 82.4 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | A245 A246 A252 L253 | A245-V249 WeakPolarHBondContact O-CG2 3.41Å; A245-V249 PolarHBondContact O-N 2.88Å; A246-V249 PolarHBondContact O-N 2.92Å; V249-A252 PolarHBondContact O-N 3.5Å; V249-L253 HydrophobicContact CG1-CD1 4.35Å; V249-L253 WeakPolarHBondContact O-CB 3.49Å; V249-L253 PolarHBondContact O-N 2.88Å |
| 250 | Q | 87.4 | Confident | 80.3 | Confident | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -42.9 | 176 | -77.1 | 176 | -5.6 | 0 | 0 | 111.8 | A246 L253 A254 | A246-Q250 VanDerWaalsContact O-CB 3.31Å; A246-Q250 WeakPolarHBondContact O-CB 3.3Å; A246-Q250 VanDerWaalsContact O-CG 3.28Å; A246-Q250 WeakPolarHBondContact O-CG 3.38Å; A246-Q250 PolarHBondContact O-N 2.91Å; Q250-L253 PolarHBondContact O-N 3.1Å; Q250-A254 VanDerWaalsContact O-CB 3.28Å; Q250-A254 WeakPolarHBondContact O-CB 3.49Å; Q250-A254 PolarHBondContact O-N 3.2Å |
| 251 | T | 84.3 | Confident | 78.5 | Confident | 82 Ų | 82 | 99.3 Ų | 99.3 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.5 | -33.5 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | G247 I248 A254 R255 | G247-T251 WeakPolarHBondContact O-CB 3.27Å; G247-T251 WeakPolarHBondContact O-CG2 3.47Å; G247-T251 PolarHBondContact O-N 3.19Å; G247-T251 PolarHBondContact O-OG1 3.33Å; I248-T251 WeakPolarHBondContact CA-OG1 3.49Å; I248-T251 PolarHBondContact O-OG1 2.93Å; T251-A254 PolarHBondContact O-N 3.28Å; T251-R255 VanDerWaalsContact O-CB 3.32Å; T251-R255 WeakPolarHBondContact O-CB 3.47Å; T251-R255 VanDerWaalsContact O-CG 3.27Å; T251-R255 WeakPolarHBondContact O-CG 3.45Å; T251-R255 PolarHBondContact O-N 3.34Å |
| 252 | A | 84.2 | Confident | 76.6 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.4 | -36 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I248 V249 K256 | I248-A252 VanDerWaalsContact O-CB 3.23Å; I248-A252 WeakPolarHBondContact O-CB 3.48Å; I248-A252 PolarHBondContact O-N 2.8Å; V249-A252 PolarHBondContact O-N 3.5Å; A252-K256 WeakPolarHBondContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CG 3.49Å; A252-K256 PolarHBondContact O-N 2.8Å |
| 253 | L | 86.2 | Confident | 74.1 | Confident | 90 Ų | 90 | 97.1 Ų | 97.1 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.9 | -45.8 | 171.3 | -94.9 | 164.9 | 0 | 0 | 0 | 111.8 | V249 Q250 R255 K256 L257 | V249-L253 HydrophobicContact CG1-CD1 4.35Å; V249-L253 WeakPolarHBondContact O-CB 3.49Å; V249-L253 PolarHBondContact O-N 2.88Å; Q250-L253 PolarHBondContact O-N 3.1Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 2.93Å; L253-K256 CarbonylContact O-C 3.54Å; L253-K256 WeakPolarHBondContact O-CA 3.19Å; L253-K256 WeakPolarHBondContact O-CB 3.43Å; L253-K256 PolarHBondContact O-N 3.22Å; L253-L257 HydrophobicContact CD2-CD1 4.1Å; L253-L257 HydrophobicContact CD2-CG 4.41Å; L253-L257 WeakPolarHBondContact O-CB 3.4Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.9Å |
| 254 | A | 80.7 | Confident | 71.8 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 50% | 0.496 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.4 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q250 T251 K256 G258 | Q250-A254 VanDerWaalsContact O-CB 3.28Å; Q250-A254 WeakPolarHBondContact O-CB 3.49Å; Q250-A254 PolarHBondContact O-N 3.2Å; T251-A254 PolarHBondContact O-N 3.28Å; A254-K256 VanDerWaalsContact C-N 3.31Å; A254-K256 PolarHBondContact O-N 2.81Å; A254-G258 WeakPolarHBondContact O-CA 3.27Å; A254-G258 PolarHBondContact O-N 2.86Å |
| 255 | R | 79.2 | Confident | 69.2 | Low | 214 Ų | 214 | 98.7 Ų | 98.7 | 81% | 0.808 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -76.8 | -10.4 | 171.2 | -70.7 | 179.6 | 67.3 | -175.7 | 1.8 | 114.6 | T251 L253 | T251-R255 VanDerWaalsContact O-CB 3.32Å; T251-R255 WeakPolarHBondContact O-CB 3.47Å; T251-R255 VanDerWaalsContact O-CG 3.27Å; T251-R255 WeakPolarHBondContact O-CG 3.45Å; T251-R255 PolarHBondContact O-N 3.34Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 2.93Å |
| 256 | K | 78.1 | Confident | 66.5 | Low | 175 Ų | 175 | 104 Ų | 104 | 76% | 0.761 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -99.1 | -25.9 | 173 | -84.9 | -179.2 | 167.9 | -66.8 | 0 | 113.6 | A252 L253 A254 | A252-K256 WeakPolarHBondContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CG 3.49Å; A252-K256 PolarHBondContact O-N 2.8Å; L253-K256 CarbonylContact O-C 3.54Å; L253-K256 WeakPolarHBondContact O-CA 3.19Å; L253-K256 WeakPolarHBondContact O-CB 3.43Å; L253-K256 PolarHBondContact O-N 3.22Å; A254-K256 VanDerWaalsContact C-N 3.31Å; A254-K256 PolarHBondContact O-N 2.81Å |
| 257 | L | 77.2 | Confident | 64.1 | Low | 136 Ų | 136 | 108.2 Ų | 108.2 | 71% | 0.712 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -100.4 | -41.4 | -179.9 | -62.7 | 174.7 | 0 | 0 | 0 | 111.4 | L253 S259 | L253-L257 HydrophobicContact CD2-CD1 4.1Å; L253-L257 HydrophobicContact CD2-CG 4.41Å; L253-L257 WeakPolarHBondContact O-CB 3.4Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.9Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 2.87Å |
| 258 | G | 55.7 | Low | 61.2 | Low | 39 Ų | 39 | 111.8 Ų | 111.8 | 40% | 0.402 | 67% | 0.666 | S | S | . | * | | | trans | -75.5 | 74.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A254 A260 | A254-G258 WeakPolarHBondContact O-CA 3.27Å; A254-G258 PolarHBondContact O-N 2.86Å; G258-A260 PolarHBondContact O-N 2.69Å |
| 259 | S | 42.5 | Very low | 58.5 | Low | 122 Ų | 122 | 114.1 Ų | 114.1 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | | | trans | -73.2 | 47.3 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 113 | L257 | L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 2.87Å |
| 260 | A | 41.5 | Very low | 55.7 | Low | 93 Ų | 93 | 118.8 Ų | 118.8 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | | | trans | -159.1 | 66.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G258 | G258-A260 PolarHBondContact O-N 2.69Š|
| 261 | V | 43.8 | Very low | 53.3 | Low | 121 Ų | 121 | 117.9 Ų | 117.9 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | | | trans | -134.9 | 129.4 | 169.1 | -178 | 0 | 0 | 0 | 0 | 108.2 | | |
| 262 | P | 42.4 | Very low | 50.8 | Low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | | | trans | -68.8 | 154 | -169.7 | 27.2 | -35.5 | 0 | 0 | 0 | 113.4 | | |
| 263 | A | 38.2 | Very low | 48.6 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | trans | -68.8 | 135 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S265 | A263-S265 PolarHBondContact O-N 3.2Å; A263-S265 VanDerWaalsContact O-N 3.08Å |
| 264 | P | 42 | Very low | 46.2 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | | | trans | -72 | 104.3 | 177.8 | 28.8 | -33.6 | 0 | 0 | 0 | 110.4 | N266 | P264-N266 VanDerWaalsContact C-N 3.3Å; P264-N266 PolarHBondContact O-N 2.81Å |
| 265 | S | 31.9 | Very low | 44.3 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -76.7 | 72.6 | -177.2 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | A263 V267 | A263-S265 PolarHBondContact O-N 3.2Å; A263-S265 VanDerWaalsContact O-N 3.08Å; S265-V267 PolarHBondContact O-N 3.47Å |
| 266 | N | 33.7 | Very low | 42.2 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | trans | -74.6 | 66 | 169.6 | -78.2 | -11 | 0 | 0 | 0 | 111.2 | P264 | P264-N266 VanDerWaalsContact C-N 3.3Å; P264-N266 PolarHBondContact O-N 2.81Å |
| 267 | V | 40.7 | Very low | 40.1 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | | | trans | -103 | 98.1 | 167 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | S265 | S265-V267 PolarHBondContact O-N 3.47Š|
| 268 | T | 31.7 | Very low | 38.2 | Very low | 102 Ų | 102 | 120 Ų | 120 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | | | trans | -67.9 | 157.2 | 167.8 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 269 | F | 34.8 | Very low | 37 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | | | trans | 101.5 | 78.3 | 167.1 | -56.4 | -70.4 | 0 | 0 | 0 | 119.6 | | |
| 270 | K | 33.7 | Very low | 36.5 | Very low | 188 Ų | 188 | 124.8 Ų | 124.8 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | | | | 72.8 | 145.3 | 122.9 | -69.4 | 179.9 | 178.1 | -176.5 | 0 | 120.6 | | |
| 271 | S | 36.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | 77.4 | 135.2 | 163.8 | -156.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 272 | T | 31.9 | Very low | 35.7 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | cis | -173.6 | 158.9 | -28.6 | -97.1 | 0 | 0 | 0 | 0 | 105.5 | | |
| 273 | A | 37 | Very low | 35.3 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | 82.4 | 122.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 274 | K | 35.9 | Very low | 35.1 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | | | trans | -107.7 | 166.8 | 164.2 | 162.4 | -173.4 | 169 | 165.9 | 0 | 105.3 | E276 | K274-E276 WeakPolarHBondContact CE-OE1 3.34Å; K274-E276 IonicContact NZ-OE1 2.73Å; K274-E276 PolarHBondContact NZ-OE1 3.18Å |
| 275 | P | 42.1 | Very low | 34.9 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 59% | 0.591 | 73% | 0.734 | S | S | * | * | | | cis | -133.3 | 174.5 | 14.1 | 12.1 | 16.4 | 0 | 0 | 0 | 118.7 | | |
| 276 | E | 34.4 | Very low | 35.1 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | 45 | 161.1 | 133.9 | -58.4 | 134.6 | -156.1 | 0 | 0 | 120.1 | K274 | K274-E276 WeakPolarHBondContact CE-OE1 3.34Å; K274-E276 IonicContact NZ-OE1 2.73Å; K274-E276 PolarHBondContact NZ-OE1 3.18Å |
| 277 | S | 34.8 | Very low | 35.4 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | | | cis | -157.5 | 161.3 | 22.5 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 278 | T | 36.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | | | trans | 57.1 | 111.8 | 143.4 | 52.1 | 0 | 0 | 0 | 0 | 125.1 | | |
| 279 | T | 30.9 | Very low | 36 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | | | | 77.2 | 106.8 | 105.1 | -49.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 280 | N | 32.3 | Very low | 36.1 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | | | trans | 77.4 | 165.6 | 136.5 | -62.2 | 3.8 | 0 | 0 | 0 | 124.3 | | |
| 281 | S | 32 | Very low | 36.4 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | trans | 74.4 | 116.8 | 175.7 | -73.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 282 | Q | 34.9 | Very low | 36.7 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | | 87.1 | 101.7 | 52 | -172.5 | 175.5 | 14.2 | 0 | 0 | 109.7 | | |
| 283 | E | 35.1 | Very low | 37.2 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | | | | 118.5 | 167.7 | 69 | -174.4 | -177.7 | -176.9 | 0 | 0 | 107.2 | | |
| 284 | T | 33 | Very low | 37.3 | Very low | 119 Ų | 119 | 135 Ų | 135 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | | | trans | 64.4 | 144.5 | 167.7 | 34.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 285 | T | 37.4 | Very low | 37.4 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | | | cis | -162.9 | 171.6 | -21.4 | 0.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 286 | D | 38 | Very low | 37.2 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | | | trans | 75.9 | 146 | 142.8 | -68.6 | -33 | 0 | 0 | 0 | 125.1 | | |
| 287 | S | 38.6 | Very low | 37.2 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | | | trans | 91.1 | 138.1 | 145.7 | -154.3 | 0 | 0 | 0 | 0 | 120 | | |
| 288 | T | 45.5 | Very low | 37.1 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | | | cis | 177.8 | 161.4 | -38.7 | -101.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 289 | R | 39.1 | Very low | 37.1 | Very low | 234 Ų | 234 | 133.3 Ų | 133.3 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | | | trans | 76 | 145.7 | 168 | -82.5 | 161.3 | -169.3 | -158.7 | 1.4 | 117 | | |
| 290 | V | 38.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 70% | 0.697 | 71% | 0.714 | S | S | * | * | | | cis | -162.2 | 145.3 | -2.3 | 97.4 | 0 | 0 | 0 | 0 | 114 | | |
| 291 | L | 40.2 | Very low | 37.5 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | | | trans | 43.8 | 149.4 | 151.1 | -61.1 | 165.3 | 0 | 0 | 0 | 123.1 | | |
| 292 | L | 42.5 | Very low | 37.6 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | | | cis | -129.5 | -116.2 | -3.3 | -159.3 | 19.9 | 0 | 0 | 0 | 111.9 | | |
| 293 | E | 42.2 | Very low | 37.6 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | | | cis | -157.1 | -170.6 | -5.8 | -152.5 | 138 | -93.4 | 0 | 0 | 112.9 | | |
| 294 | E | 39.4 | Very low | 37.6 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | | | trans | -123.3 | 173.5 | -165.3 | -85.7 | -130.8 | 104.5 | 0 | 0 | 115.3 | K296 | E294-K296 WeakPolarHBondContact OE1-CE 3.32Å; E294-K296 IonicContact OE1-NZ 3.12Å; E294-K296 PolarHBondContact OE1-NZ 2.76Å; E294-K296 IonicContact OE2-NZ 2.66Å; E294-K296 PolarHBondContact OE2-NZ 3.19Å |
| 295 | A | 37.1 | Very low | 37.5 | Very low | 50 Ų | 50 | 139.7 Ų | 139.7 | 41% | 0.413 | 73% | 0.731 | S | S | . | * | | | cis | 175 | 174.2 | -39.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 296 | K | 39.1 | Very low | 37.4 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 40% | 0.396 | 74% | 0.737 | S | S | . | * | | | trans | 76.1 | 162.2 | 158.5 | -71 | 127.4 | 175.6 | -176.8 | 0 | 119.9 | E294 S431 S432 | E294-K296 WeakPolarHBondContact OE1-CE 3.32Å; E294-K296 IonicContact OE1-NZ 3.12Å; E294-K296 PolarHBondContact OE1-NZ 2.76Å; E294-K296 IonicContact OE2-NZ 2.66Å; E294-K296 PolarHBondContact OE2-NZ 3.19Å; K296-S431 WeakPolarHBondContact CD-OG 3.19Å; K296-S432 PolarHBondContact NZ-OG 2.91Å |
| 297 | S | 33.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | -158.4 | -151.4 | -157.6 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 298 | R | 33.6 | Very low | 37.5 | Very low | 234 Ų | 234 | 139 Ų | 139 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | | | trans | 84.8 | 169.3 | 169.9 | -98.5 | -165.3 | 166.4 | -169.7 | -0.8 | 116.8 | | |
| 299 | P | 37.4 | Very low | 37.1 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | | | | -135 | -140.3 | -79.9 | 35.2 | -9.8 | 0 | 0 | 0 | 113 | | |
| 300 | P | 40 | Very low | 37.3 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | | -121.1 | 176.1 | -88 | 37.9 | -20.8 | 0 | 0 | 0 | 113.9 | | |
| 301 | R | 31.6 | Very low | 37.8 | Very low | 253 Ų | 253 | 138.6 Ų | 138.6 | 96% | 0.955 | 75% | 0.75 | S | S | * | * | | | trans | -155.9 | 154.9 | 147.5 | -110.8 | 162.3 | -163.9 | 174.1 | 5.2 | 110.8 | | |
| 302 | A | 32.5 | Very low | 38.5 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | -104.7 | 160.5 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 303 | H | 34.9 | Very low | 39.7 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | | | trans | -152.4 | 164.8 | 150.7 | -102.8 | -47.2 | 0 | 0 | 0 | 111 | | |
| 304 | D | 35.9 | Very low | 41.2 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | | | trans | -103.3 | 139.6 | -138.7 | -55 | -88.7 | 0 | 0 | 0 | 114.3 | | |
| 305 | N | 30.3 | Very low | 42.6 | Very low | 173 Ų | 173 | 143 Ų | 143 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | | | trans | -103.9 | 93.8 | 173.1 | -79.8 | -83.1 | 0 | 0 | 0 | 110.3 | | |
| 306 | S | 35.2 | Very low | 44.6 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | -135.2 | 85.2 | 174.4 | 48.5 | 0 | 0 | 0 | 0 | 112 | | |
| 307 | S | 40 | Very low | 46.4 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -116.8 | 118.7 | 160.7 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 308 | S | 39.1 | Very low | 48.4 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | | | trans | -66.7 | 146.4 | -165.2 | -174.7 | 0 | 0 | 0 | 0 | 113.5 | R310 | S308-R310 VanDerWaalsContact C-N 3.31Å; S308-R310 PolarHBondContact O-N 3.28Å |
| 309 | A | 37.7 | Very low | 50.6 | Low | 100 Ų | 100 | 140.1 Ų | 140.1 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | | | trans | -66.2 | 82.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V311 | A309-V311 PolarHBondContact O-N 2.81Š|
| 310 | R | 43.5 | Very low | 52.5 | Low | 231 Ų | 231 | 139 Ų | 139 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | | | trans | -64.6 | 122.4 | -171.8 | -146.1 | 171.7 | -164.1 | 172.3 | 7.5 | 111.1 | S308 | S308-R310 VanDerWaalsContact C-N 3.31Å; S308-R310 PolarHBondContact O-N 3.28Å |
| 311 | V | 47.9 | Very low | 54.4 | Low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | -39.5 | 132.7 | -178.7 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | A309 R313 | A309-V311 PolarHBondContact O-N 2.81Å; V311-R313 PolarHBondContact O-N 3.37Å |
| 312 | P | 54.8 | Low | 56.5 | Low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 116 | -179.6 | 23.2 | -34.2 | 0 | 0 | 0 | 110.4 | | |
| 313 | R | 68.7 | Low | 58.3 | Low | 217 Ų | 217 | 129.7 Ų | 129.7 | 82% | 0.819 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.4 | -178.2 | -72.8 | -170.4 | -176.5 | -129.9 | 6.8 | 110.3 | V311 | V311-R313 PolarHBondContact O-N 3.37Š|
| 314 | P | 72.8 | Confident | 59.9 | Low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 146.1 | 173.3 | 25.5 | -34.1 | 0 | 0 | 0 | 110.6 | | |
| 315 | W | 68.2 | Low | 61.3 | Low | 231 Ų | 231 | 133.2 Ų | 133.2 | 88% | 0.875 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129 | -177.7 | -74.5 | 85.2 | 0 | 0 | 0 | 110.9 | S317 | W315-S317 PolarHBondContact O-N 3.24Š|
| 316 | P | 79.8 | Confident | 62.9 | Low | 39 Ų | 39 | 131.7 Ų | 131.7 | 25% | 0.253 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 139.8 | -178 | -29.2 | 35.4 | 0 | 0 | 0 | 112.7 | E320 R321 | P316-E320 HydrophobicContact CB-CB 4.07Å; P316-R321 HydrophobicContact CB-CG 4.3Å; P316-R321 VanDerWaalsContact O-CZ 3.25Å; P316-R321 PolarHBondContact O-NE 2.78Å; P316-R321 PolarHBondContact O-NH2 2.76Å |
| 317 | S | 77.8 | Confident | 64.2 | Low | 53 Ų | 53 | 133.8 Ų | 133.8 | 37% | 0.371 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 161.8 | 179.9 | 62.8 | 0 | 0 | 0 | 0 | 112 | W315 R319 E320 R321 | W315-S317 PolarHBondContact O-N 3.24Å; S317-R319 PolarHBondContact O-N 3.34Å; S317-E320 VanDerWaalsContact CB-OE2 3.3Å; S317-E320 WeakPolarHBondContact CB-OE2 3.44Å; S317-E320 PolarHBondContact N-OE2 3.13Å; S317-E320 PolarHBondContact O-N 3.48Å; S317-E320 WeakPolarHBondContact OG-CB 3.49Å; S317-E320 VanDerWaalsContact OG-CG 3.29Å; S317-E320 WeakPolarHBondContact OG-CG 3.28Å; S317-E320 PolarHBondContact OG-N 3.07Å; S317-E320 VanDerWaalsContact OG-N 3.07Å; S317-E320 PolarHBondContact OG-OE2 2.93Å; S317-R321 PolarHBondContact O-N 2.78Å; S317-R321 PolarHBondContact O-NE 3.23Å |
| 318 | L | 75.9 | Confident | 65.2 | Low | 140 Ų | 140 | 132.6 Ų | 132.6 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.6 | -34.6 | 174.3 | -111.5 | 169.5 | 0 | 0 | 0 | 111.4 | R321 A322 | L318-R321 PolarHBondContact O-N 2.8Å; L318-A322 PolarHBondContact O-N 2.91Å; L318-A322 VanDerWaalsContact O-N 3.1Å |
| 319 | R | 79.8 | Confident | 66.1 | Low | 195 Ų | 195 | 129.9 Ų | 129.9 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67 | -46.1 | 176 | -169.4 | 173.8 | -175.1 | -107 | 1.4 | 112.4 | S317 R321 A322 I323 | S317-R319 PolarHBondContact O-N 3.34Å; R319-R321 VanDerWaalsContact C-N 3.29Å; R319-R321 PolarHBondContact O-N 3.23Å; R319-A322 WeakPolarHBondContact O-CB 3.31Å; R319-A322 PolarHBondContact O-N 2.85Å; R319-I323 HydrophobicContact CG-CD1 4.02Å; R319-I323 WeakPolarHBondContact O-CG1 3.41Å; R319-I323 PolarHBondContact O-N 3.37Å |
| 320 | E | 76.6 | Confident | 67 | Low | 80 Ų | 80 | 131.7 Ų | 131.7 | 37% | 0.374 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.8 | -35.9 | 173.2 | -74.4 | 165 | 92.3 | 0 | 0 | 112.5 | P316 S317 A322 I323 R324 | P316-E320 HydrophobicContact CB-CB 4.07Å; S317-E320 VanDerWaalsContact CB-OE2 3.3Å; S317-E320 WeakPolarHBondContact CB-OE2 3.44Å; S317-E320 PolarHBondContact N-OE2 3.13Å; S317-E320 PolarHBondContact O-N 3.48Å; S317-E320 WeakPolarHBondContact OG-CB 3.49Å; S317-E320 VanDerWaalsContact OG-CG 3.29Å; S317-E320 WeakPolarHBondContact OG-CG 3.28Å; S317-E320 PolarHBondContact OG-N 3.07Å; S317-E320 VanDerWaalsContact OG-N 3.07Å; S317-E320 PolarHBondContact OG-OE2 2.93Å; E320-A322 VanDerWaalsContact C-N 3.26Å; E320-A322 PolarHBondContact O-N 3.13Å; E320-I323 PolarHBondContact O-N 2.97Å; E320-R324 VanDerWaalsContact O-CB 3.27Å; E320-R324 WeakPolarHBondContact O-CB 3.41Å; E320-R324 VanDerWaalsContact O-CG 3.3Å; E320-R324 WeakPolarHBondContact O-CG 3.38Å; E320-R324 PolarHBondContact O-N 2.96Å |
| 321 | R | 79.5 | Confident | 67.7 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.1 | -18.4 | 176.3 | -79.4 | -178.7 | -84.1 | 164.8 | -10 | 113.9 | P316 S317 L318 R319 | P316-R321 HydrophobicContact CB-CG 4.3Å; P316-R321 VanDerWaalsContact O-CZ 3.25Å; P316-R321 PolarHBondContact O-NE 2.78Å; P316-R321 PolarHBondContact O-NH2 2.76Å; S317-R321 PolarHBondContact O-N 2.78Å; S317-R321 PolarHBondContact O-NE 3.23Å; L318-R321 PolarHBondContact O-N 2.8Å; R319-R321 VanDerWaalsContact C-N 3.29Å; R319-R321 PolarHBondContact O-N 3.23Å |
| 322 | A | 74.9 | Confident | 67.9 | Low | 49 Ų | 49 | 123.7 Ų | 123.7 | 41% | 0.405 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -78.1 | -55.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L318 R319 E320 R324 R325 | L318-A322 PolarHBondContact O-N 2.91Å; L318-A322 VanDerWaalsContact O-N 3.1Å; R319-A322 WeakPolarHBondContact O-CB 3.31Å; R319-A322 PolarHBondContact O-N 2.85Å; E320-A322 VanDerWaalsContact C-N 3.26Å; E320-A322 PolarHBondContact O-N 3.13Å; A322-R324 PolarHBondContact O-N 3.39Å; A322-R324 VanDerWaalsContact O-N 3.13Å; A322-R325 WeakPolarHBondContact O-CB 3.49Å; A322-R325 PolarHBondContact O-N 3.19Å |
| 323 | I | 71.3 | Confident | 67.9 | Low | 76 Ų | 76 | 126.2 Ų | 126.2 | 39% | 0.39 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -58.1 | -33.1 | -177.5 | -63.3 | 163.9 | 0 | 0 | 0 | 112.6 | R319 E320 R325 | R319-I323 HydrophobicContact CG-CD1 4.02Å; R319-I323 WeakPolarHBondContact O-CG1 3.41Å; R319-I323 PolarHBondContact O-N 3.37Å; E320-I323 PolarHBondContact O-N 2.97Å; I323-R325 VanDerWaalsContact C-N 3.26Å; I323-R325 PolarHBondContact O-N 2.57Å |
| 324 | R | 68.5 | Low | 67.4 | Low | 176 Ų | 176 | 121 Ų | 121 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 1.3 | 175.2 | -71.5 | -178.2 | 178.3 | -150.6 | 0.6 | 114.8 | E320 A322 | E320-R324 VanDerWaalsContact O-CB 3.27Å; E320-R324 WeakPolarHBondContact O-CB 3.41Å; E320-R324 VanDerWaalsContact O-CG 3.3Å; E320-R324 WeakPolarHBondContact O-CG 3.38Å; E320-R324 PolarHBondContact O-N 2.96Å; A322-R324 PolarHBondContact O-N 3.39Å; A322-R324 VanDerWaalsContact O-N 3.13Å |
| 325 | R | 64.4 | Low | 66.3 | Low | 200 Ų | 200 | 123.4 Ų | 123.4 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -29.2 | 169.8 | -76.2 | 173.4 | 156.1 | 171.4 | -11.1 | 112.7 | A322 I323 K327 | A322-R325 WeakPolarHBondContact O-CB 3.49Å; A322-R325 PolarHBondContact O-N 3.19Å; I323-R325 VanDerWaalsContact C-N 3.26Å; I323-R325 PolarHBondContact O-N 2.57Å; R325-K327 VanDerWaalsContact C-N 3.32Å |
| 326 | D | 64.1 | Low | 65.3 | Low | 140 Ų | 140 | 115 Ų | 115 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -90.1 | 3.6 | 180 | -55 | -33.6 | 0 | 0 | 0 | 113 | | |
| 327 | K | 63.6 | Low | 63.9 | Low | 156 Ų | 156 | 118.8 Ų | 118.8 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -104.6 | 118.8 | 171.8 | -71.6 | -163.7 | 173.6 | -161.1 | 0 | 110.8 | R325 | R325-K327 VanDerWaalsContact C-N 3.32Š|
| 328 | P | 59.5 | Low | 62.2 | Low | 97 Ų | 97 | 123 Ų | 123 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 163.8 | 168.3 | 28.8 | -34 | 0 | 0 | 0 | 110.9 | | |
| 329 | A | 58 | Low | 60.5 | Low | 63 Ų | 63 | 120.5 Ų | 120.5 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -68 | 140.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G331 T332 | A329-G331 PolarHBondContact O-N 2.86Å; A329-T332 PolarHBondContact O-N 3.44Å |
| 330 | P | 56.8 | Low | 58.4 | Low | 137 Ų | 137 | 117.4 Ų | 117.4 | 89% | 0.89 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 131.3 | 169.1 | -21.8 | 33.2 | 0 | 0 | 0 | 110.1 | | |
| 331 | G | 58.5 | Low | 56.7 | Low | 88 Ų | 88 | 118.2 Ų | 118.2 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.8 | 5.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A329 | A329-G331 PolarHBondContact O-N 2.86Š|
| 332 | T | 53.1 | Low | 55.1 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 59% | 0.589 | 70% | 0.7 | S | S | * | * | | | trans | -112.3 | 112.5 | 164.3 | -23.1 | 0 | 0 | 0 | 0 | 110 | A329 | A329-T332 PolarHBondContact O-N 3.44Š|
| 333 | E | 55.2 | Low | 53.5 | Low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | -68.4 | 132.1 | -178.9 | -171.4 | 175.6 | -146.3 | 0 | 0 | 111.2 | L335 | E333-L335 PolarHBondContact O-N 3.03Š|
| 334 | P | 57.3 | Low | 52.1 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -78.6 | 105.9 | -179.9 | 30.5 | -33.2 | 0 | 0 | 0 | 111.2 | G336 | P334-G336 PolarHBondContact O-N 2.98Š|
| 335 | L | 50.5 | Low | 50.6 | Low | 169 Ų | 169 | 131.1 Ų | 131.1 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | -65.6 | 76.6 | 172.9 | -80.4 | 171.2 | 0 | 0 | 0 | 113 | E333 | E333-L335 PolarHBondContact O-N 3.03Š|
| 336 | G | 46.9 | Very low | 49.7 | Very low | 54 Ų | 54 | 126.3 Ų | 126.3 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | | | trans | 75 | 151.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | P334 V338 | P334-G336 PolarHBondContact O-N 2.98Å; G336-V338 PolarHBondContact O-N 2.86Å; G336-V338 VanDerWaalsContact O-N 3.1Å |
| 337 | P | 50.1 | Low | 48.4 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | -72.3 | 102.7 | 168.9 | 30 | -32.1 | 0 | 0 | 0 | 109.5 | S339 | P337-S339 PolarHBondContact O-N 2.93Å; P337-S339 PolarHBondContact O-OG 3.47Å |
| 338 | V | 42.3 | Very low | 47.4 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -70 | 83.6 | 167.2 | -178 | 0 | 0 | 0 | 0 | 108.1 | G336 S340 | G336-V338 PolarHBondContact O-N 2.86Å; G336-V338 VanDerWaalsContact O-N 3.1Å; V338-S340 PolarHBondContact O-N 3.5Å; V338-S340 VanDerWaalsContact O-N 3.16Å |
| 339 | S | 40 | Very low | 46.4 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | | | trans | -63 | 112.7 | -170 | -65.6 | 0 | 0 | 0 | 0 | 112 | P337 S341 | P337-S339 PolarHBondContact O-N 2.93Å; P337-S339 PolarHBondContact O-OG 3.47Å; S339-S341 PolarHBondContact O-N 3.12Å |
| 340 | S | 35.6 | Very low | 45.7 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -74.3 | 64.3 | 166.2 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | V338 | V338-S340 PolarHBondContact O-N 3.5Å; V338-S340 VanDerWaalsContact O-N 3.16Å |
| 341 | S | 41.3 | Very low | 44.8 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -134.4 | 78.1 | -178 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | S339 | S339-S341 PolarHBondContact O-N 3.12Š|
| 342 | I | 44.7 | Very low | 43.7 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -139.8 | 141.6 | 157.4 | 26.5 | 174.4 | 0 | 0 | 0 | 105.9 | | |
| 343 | F | 41.4 | Very low | 42.9 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 70.5 | 66.4 | -163.6 | -43.2 | -69.7 | 0 | 0 | 0 | 115.3 | | |
| 344 | L | 41.4 | Very low | 42.1 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -177.9 | 88.3 | 134.5 | -99.5 | 161.1 | 0 | 0 | 0 | 111.7 | | |
| 345 | Q | 38.5 | Very low | 41.3 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -132 | 100.4 | 148.6 | -72.8 | -176.5 | -48.9 | 0 | 0 | 104.6 | | |
| 346 | S | 44.7 | Very low | 40.9 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | | 64.3 | 81.9 | 75 | 77.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 347 | E | 37.7 | Very low | 40.6 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -46.9 | 128.5 | 151.6 | 171.2 | 177.4 | -144.8 | 0 | 0 | 110.6 | | |
| 348 | E | 42 | Very low | 40 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | 177.1 | 142.6 | 144.5 | -174.5 | 151.7 | -144.7 | 0 | 0 | 110.5 | | |
| 349 | K | 38.9 | Very low | 39.9 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | -99.4 | 143.2 | 165.6 | -80.5 | 178.9 | 175.9 | 174.4 | 0 | 107.7 | | |
| 350 | P | 42.9 | Very low | 40 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | | -147.8 | -172 | 94.4 | 38.8 | -21.5 | 0 | 0 | 0 | 115.8 | | |
| 351 | H | 37.6 | Very low | 40.2 | Very low | 159 Ų | 159 | 157.2 Ų | 157.2 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -78.5 | 153.9 | -166.6 | -61.2 | -94.5 | 0 | 0 | 0 | 115.8 | | |
| 352 | Q | 34.8 | Very low | 39.8 | Very low | 183 Ų | 183 | 162.3 Ų | 162.3 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | | 61.4 | 110.9 | 126.7 | -178.5 | -179.3 | -0.1 | 0 | 0 | 120.2 | | |
| 353 | A | 37 | Very low | 39.8 | Very low | 87 Ų | 87 | 160.3 Ų | 160.3 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | | | | 179.7 | 130.8 | 113.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 354 | Y | 39.4 | Very low | 39.8 | Very low | 219 Ų | 219 | 160.9 Ų | 160.9 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | 171.6 | 91.3 | 138.8 | -111.7 | -86.9 | 0 | 0 | 0 | 106.9 | | |
| 355 | K | 40.3 | Very low | 39.8 | Very low | 160 Ų | 160 | 160 Ų | 160 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | | | | 60.7 | 101.3 | 93 | -85.2 | -155.5 | 171.7 | -156.1 | 0 | 114.7 | E357 | K355-E357 WeakPolarHBondContact CD-OE1 3.27Å; K355-E357 VanDerWaalsContact CE-OE1 3.22Å; K355-E357 WeakPolarHBondContact CE-OE1 3.28Å; K355-E357 IonicContact NZ-OE1 2.83Å; K355-E357 PolarHBondContact NZ-OE1 3.21Å |
| 356 | Q | 42.1 | Very low | 40 | Very low | 201 Ų | 201 | 157.2 Ų | 157.2 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | | | trans | -131.7 | 143.8 | 135.3 | -164.9 | 167 | 7.5 | 0 | 0 | 108.3 | | |
| 357 | E | 39.8 | Very low | 40.3 | Very low | 134 Ų | 134 | 158.1 Ų | 158.1 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | | | trans | -117 | 157.4 | -166.3 | -72.2 | 170 | 176.7 | 0 | 0 | 109.5 | K355 | K355-E357 WeakPolarHBondContact CD-OE1 3.27Å; K355-E357 VanDerWaalsContact CE-OE1 3.22Å; K355-E357 WeakPolarHBondContact CE-OE1 3.28Å; K355-E357 IonicContact NZ-OE1 2.83Å; K355-E357 PolarHBondContact NZ-OE1 3.21Å |
| 358 | S | 38.3 | Very low | 40.4 | Very low | 91 Ų | 91 | 156.7 Ų | 156.7 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | cis | -169.4 | 169.1 | -10.8 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 359 | K | 40.6 | Very low | 40.4 | Very low | 191 Ų | 191 | 158.2 Ų | 158.2 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | | | trans | 69.8 | 151.2 | 168.9 | -55.1 | 171.6 | 178.9 | 172.4 | 0 | 115 | | |
| 360 | T | 40.5 | Very low | 40.7 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | cis | -148.1 | 145.4 | 20.4 | -44.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 361 | Q | 41.2 | Very low | 40.8 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | 66 | 144.6 | 157.8 | -85.6 | 160.7 | -29.4 | 0 | 0 | 123.2 | | |
| 362 | F | 31.9 | Very low | 41.4 | Very low | 203 Ų | 203 | 153.7 Ų | 153.7 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | trans | -128.3 | 179.5 | 173.6 | -94.8 | -70.8 | 0 | 0 | 0 | 106.5 | | |
| 363 | P | 45.4 | Very low | 41.6 | Very low | 104 Ų | 104 | 156.9 Ų | 156.9 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | cis | -150.4 | 176.5 | 27.4 | 44.2 | -23.4 | 0 | 0 | 0 | 120.1 | | |
| 364 | R | 40.4 | Very low | 41.7 | Very low | 216 Ų | 216 | 157.1 Ų | 157.1 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | trans | 65.3 | 157.7 | 155.7 | -83.6 | 170.4 | 169.3 | -128.3 | 5.2 | 117.5 | | |
| 365 | E | 41.8 | Very low | 41.8 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | cis | -143.2 | -174.8 | 11.4 | -147.2 | 145.3 | -124.7 | 0 | 0 | 115 | | |
| 366 | T | 42 | Very low | 41.7 | Very low | 128 Ų | 128 | 156.2 Ų | 156.2 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -73 | 151.8 | -157.8 | -41 | 0 | 0 | 0 | 0 | 118.1 | | |
| 367 | P | 51.5 | Low | 42 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -106.1 | 168.6 | 173.3 | 40.8 | -35.2 | 0 | 0 | 0 | 114.9 | | |
| 368 | D | 40.1 | Very low | 42.2 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -158.4 | 162.3 | 163.2 | -150.6 | -8.1 | 0 | 0 | 0 | 115.6 | | |
| 369 | R | 43 | Very low | 41.9 | Very low | 216 Ų | 216 | 157.1 Ų | 157.1 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | | | trans | 90.4 | 84.7 | 149.8 | -143.1 | 170.1 | -165.7 | -169.9 | 4 | 123.8 | | |
| 370 | T | 44.2 | Very low | 41.9 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | | 83.5 | 143 | 126.2 | -49.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 371 | V | 44.9 | Very low | 41.8 | Very low | 130 Ų | 130 | 155.6 Ų | 155.6 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | | | trans | -118.2 | -159.7 | -162.5 | -160.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 372 | P | 50 | Low | 41.7 | Very low | 115 Ų | 115 | 158.6 Ų | 158.6 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | | | | -105.4 | -176.5 | -101.1 | 42.2 | -28.6 | 0 | 0 | 0 | 116.4 | | |
| 373 | R | 38.7 | Very low | 42.1 | Very low | 251 Ų | 251 | 152.6 Ų | 152.6 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | | | | -161.4 | 157.1 | 120.9 | -148.1 | 161.5 | -175.7 | 160.8 | 1.7 | 113 | | |
| 374 | A | 39 | Very low | 41.9 | Very low | 91 Ų | 91 | 153.8 Ų | 153.8 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -101.9 | 156.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 375 | R | 41.3 | Very low | 41.9 | Very low | 253 Ų | 253 | 154.5 Ų | 154.5 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | | | trans | -158.7 | 164.6 | 150.3 | -110.2 | 169.1 | -173.4 | -158.7 | -0.9 | 111.5 | | |
| 376 | S | 39.5 | Very low | 41.9 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | -85.8 | 160.4 | -165.1 | 44.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 377 | P | 48.1 | Very low | 41.9 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | trans | -85.6 | 163.9 | -172.6 | 35.7 | -38.1 | 0 | 0 | 0 | 114.5 | | |
| 378 | P | 42.9 | Very low | 41.7 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | | -136.5 | 175.8 | 125.5 | 38.6 | -27.7 | 0 | 0 | 0 | 114.3 | | |
| 379 | F | 33.9 | Very low | 41.6 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | -66.8 | 151.7 | -180 | -66.8 | -103.4 | 0 | 0 | 0 | 113.9 | | |
| 380 | H | 40.6 | Very low | 41.5 | Very low | 178 Ų | 178 | 151 Ų | 151 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | | -175.4 | 132.9 | 127.3 | -103.8 | -64.3 | 0 | 0 | 0 | 115.3 | | |
| 381 | S | 37.2 | Very low | 41.3 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | | | trans | 62.4 | 127 | 137.7 | -51.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 382 | R | 38.9 | Very low | 41 | Very low | 246 Ų | 246 | 151.4 Ų | 151.4 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | | | | 139.5 | 128.1 | 107.1 | -171.1 | 175.9 | -69.9 | -126.4 | 0.5 | 116.3 | | |
| 383 | G | 40.8 | Very low | 40.4 | Very low | 77 Ų | 77 | 157 Ų | 157 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | 94.4 | 147.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 384 | S | 40.9 | Very low | 40.3 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | | | cis | -148.9 | 168.6 | -6.3 | -163.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 385 | R | 40.5 | Very low | 40.1 | Very low | 232 Ų | 232 | 158.3 Ų | 158.3 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | | | trans | -72.1 | 158 | -171.1 | -60.9 | 168.7 | 175 | 179.5 | -3.8 | 113.2 | | |
| 386 | V | 41.2 | Very low | 39.9 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | | 169.2 | 149.7 | 95.3 | 152.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 387 | V | 42.8 | Very low | 40 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | cis | -157.5 | 154 | -18.5 | 138.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 388 | P | 46.6 | Very low | 39.4 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | | | trans | -119.4 | 179.3 | -169.4 | 42.7 | -33.5 | 0 | 0 | 0 | 117.9 | | |
| 389 | S | 38.2 | Very low | 39.9 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | 84 | 151.4 | 168.9 | 83 | 0 | 0 | 0 | 0 | 116.8 | | |
| 390 | R | 40.6 | Very low | 40.4 | Very low | 222 Ų | 222 | 146.8 Ų | 146.8 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | cis | -144.7 | 140.4 | 18.1 | -79.1 | -172.5 | 175.1 | -153.9 | -2 | 115.1 | | |
| 391 | V | 40.7 | Very low | 40.3 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | | | trans | 66.5 | 155.4 | 133.4 | -174.1 | 0 | 0 | 0 | 0 | 121 | | |
| 392 | V | 39.6 | Very low | 40.4 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | | | trans | 97.5 | 94.2 | 169.5 | -164.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 393 | R | 36.2 | Very low | 40.4 | Very low | 233 Ų | 233 | 142.3 Ų | 142.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | 30.2 | 132.3 | 133.1 | -152.2 | 174.4 | -159.8 | 160 | 5.9 | 121.6 | | |
| 394 | P | 37.2 | Very low | 40.9 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -88.4 | 144.4 | 177.4 | 35.2 | -35.4 | 0 | 0 | 0 | 115.3 | | |
| 395 | R | 34.9 | Very low | 41.2 | Very low | 250 Ų | 250 | 145.7 Ų | 145.7 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | | | trans | -165.9 | 158.5 | 152.4 | -106.5 | 172 | -174.2 | -163.6 | -0.3 | 110.3 | | |
| 396 | S | 37.7 | Very low | 41.4 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -63.8 | 163.6 | 176.9 | 40.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 397 | P | 40.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | cis | -147.8 | -168.3 | 38.5 | 43.1 | -21.1 | 0 | 0 | 0 | 118.3 | | |
| 398 | S | 35.2 | Very low | 41 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -78.3 | -173.5 | 170.3 | -21.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 399 | P | 53.8 | Low | 40.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -125.3 | -152.2 | -9.5 | 34.3 | -11.4 | 0 | 0 | 0 | 111.7 | | |
| 400 | P | 44.2 | Very low | 40.5 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | | | | -156.1 | 150.7 | 96.5 | 38.9 | -19.8 | 0 | 0 | 0 | 119.3 | | |
| 401 | Q | 39.4 | Very low | 40.6 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | | | trans | 63.9 | 157.6 | 144.7 | -66.3 | -179.9 | 36.3 | 0 | 0 | 119.8 | | |
| 402 | Q | 39.8 | Very low | 40.6 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | cis | -145.1 | 166 | 9.8 | -137.1 | 161.6 | 46.4 | 0 | 0 | 111.3 | | |
| 403 | A | 37.9 | Very low | 40.5 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -125.7 | -174.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 404 | P | 52.2 | Low | 40.6 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | | -154 | 154.2 | 95.7 | 38.8 | -20.2 | 0 | 0 | 0 | 119.2 | | |
| 405 | N | 45.3 | Very low | 40.4 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | trans | 57.3 | 136.9 | 150.1 | -51.1 | -14.7 | 0 | 0 | 0 | 121 | | |
| 406 | G | 44.9 | Very low | 40.5 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | cis | 175.6 | 130 | -9.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 407 | S | 34.7 | Very low | 40.5 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | | 84 | 143.4 | 82.8 | -160.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 408 | P | 40.7 | Very low | 40.3 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | cis | -138.2 | -172.7 | -14.8 | 25.6 | 0.7 | 0 | 0 | 0 | 116.5 | | |
| 409 | H | 41.2 | Very low | 40.1 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | | | trans | 79.3 | 91 | 156.5 | -66.3 | -65.3 | 0 | 0 | 0 | 124.5 | | |
| 410 | N | 33.9 | Very low | 39.3 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | | 59.6 | 161.6 | 110 | -86.8 | -8.1 | 0 | 0 | 0 | 125 | | |
| 411 | P | 42.7 | Very low | 38.9 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | | | trans | -108.5 | -169.7 | -148.6 | 47.4 | -41.2 | 0 | 0 | 0 | 114 | | |
| 412 | P | 40.6 | Very low | 38.7 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | cis | -142.7 | -167.7 | 16 | 44.4 | -22.6 | 0 | 0 | 0 | 118.7 | | |
| 413 | Q | 37.7 | Very low | 38.4 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -56.3 | 165.6 | 168.2 | -87.7 | -161.6 | 27.2 | 0 | 0 | 113.9 | | |
| 414 | P | 37.8 | Very low | 38.8 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | cis | -142.6 | -164.4 | 32.5 | 43.9 | -23.4 | 0 | 0 | 0 | 117.8 | | |
| 415 | S | 34.4 | Very low | 37.9 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -55.6 | 146.6 | -172.5 | 55.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 416 | K | 36.4 | Very low | 37.6 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | | 171.4 | -179.4 | 118.1 | -92.6 | 167.8 | -177.5 | 177 | 0 | 110.5 | | |
| 417 | I | 37.5 | Very low | 37.6 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | | | trans | 73.9 | 154.8 | 164 | -68.4 | 164.6 | 0 | 0 | 0 | 115.9 | | |
| 418 | V | 35.4 | Very low | 37.6 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | | | cis | -178.1 | 135.4 | -46.5 | 115.8 | 0 | 0 | 0 | 0 | 108 | | |
| 419 | W | 31 | Very low | 37.4 | Very low | 240 Ų | 240 | 141.3 Ų | 141.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | 61.7 | 139.2 | 158.6 | -68.4 | 39.5 | 0 | 0 | 0 | 122.2 | | |
| 420 | R | 37.3 | Very low | 37.3 | Very low | 237 Ų | 237 | 139.3 Ų | 139.3 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | | | trans | -151.9 | 115.2 | 147.4 | -166.5 | -170.9 | -56.9 | -110.2 | 3.4 | 105.3 | | |
| 421 | R | 37 | Very low | 37.4 | Very low | 216 Ų | 216 | 135.2 Ų | 135.2 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | | | cis | 91.4 | 99.3 | 40.6 | -166.4 | 172.8 | -170.5 | -177.1 | 5.2 | 113.6 | | |
| 422 | S | 34.4 | Very low | 37.2 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | 85.6 | 110.2 | 142.5 | -68.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 423 | S | 32.9 | Very low | 37.2 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | | 79.3 | 160.4 | 107.6 | -59.1 | 0 | 0 | 0 | 0 | 121 | | |
| 424 | P | 47.6 | Very low | 37.4 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | cis | -144 | 179.2 | -33.7 | 38.5 | -20.6 | 0 | 0 | 0 | 116.6 | | |
| 425 | A | 33.6 | Very low | 37.4 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | | | trans | 73.9 | 155 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 426 | F | 37.7 | Very low | 37.6 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | | | cis | 163.6 | 178.5 | -29 | -99.5 | -46.4 | 0 | 0 | 0 | 108.1 | | |
| 427 | P | 45.4 | Very low | 37.5 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | | | cis | -139 | 178.1 | -32.1 | 37.2 | -18 | 0 | 0 | 0 | 116.7 | | |
| 428 | G | 35 | Very low | 37.5 | Very low | 86 Ų | 86 | 134 Ų | 134 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | | | trans | 88.3 | 150.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 429 | G | 36.8 | Very low | 37.6 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | | | cis | 141.5 | 156.1 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 430 | T | 38.2 | Very low | 37.7 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | cis | -174.1 | 153.3 | -18.5 | -4.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 431 | S | 36.1 | Very low | 37.7 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 47% | 0.469 | 71% | 0.705 | S | S | . | * | | | trans | 69.9 | 170.7 | 160.3 | -127 | 0 | 0 | 0 | 0 | 119.3 | K296 | K296-S431 WeakPolarHBondContact CD-OG 3.19Š|
| 432 | S | 38.9 | Very low | 37.8 | Very low | 73 Ų | 73 | 115.6 Ų | 115.6 | 51% | 0.51 | 69% | 0.694 | S | S | . | * | | | cis | -160.3 | 146.7 | -0.8 | -155.5 | 0 | 0 | 0 | 0 | 117 | K296 | K296-S432 PolarHBondContact NZ-OG 2.91Š|
| 433 | A | 39.7 | Very low | 37.8 | Very low | 58 Ų | 58 | 113.4 Ų | 113.4 | 48% | 0.479 | 67% | 0.674 | S | S | . | * | | | trans | 63.2 | 173.2 | 143 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 434 | W | 41.5 | Very low | 38.1 | Very low | 218 Ų | 218 | 113 Ų | 113 | 83% | 0.826 | 67% | 0.667 | S | S | * | * | | | cis | -143.9 | 166.2 | 5.7 | -144 | -78.2 | 0 | 0 | 0 | 115.2 | | |
| 435 | E | 39 | Very low | 37.6 | Very low | 138 Ų | 138 | 113.9 Ų | 113.9 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | | | trans | -61.9 | 155.5 | -171.4 | -84.8 | 175.8 | 97.3 | 0 | 0 | 124 | | |
| 436 | N | 38.5 | Very low | 37.6 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 68% | 0.684 | 66% | 0.664 | S | S | * | * | | | | 45.2 | 138.2 | 115 | -138.8 | 0.4 | 0 | 0 | 0 | 120.3 | | |
| 437 | R | 35.1 | Very low | 37.4 | Very low | 197 Ų | 197 | 115.3 Ų | 115.3 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | | | | 175.1 | 161.9 | 74 | -127.9 | -178.9 | -176.9 | 156.1 | 0.9 | 114.7 | | |
| 438 | N | 37 | Very low | 36.9 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | | | trans | 70.9 | 163.1 | 157.2 | -51.5 | -17.7 | 0 | 0 | 0 | 120.3 | | |
| 439 | A | 36.2 | Very low | 36.9 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | | | cis | -174 | 151.5 | -42.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 440 | S | 33 | Very low | 37.4 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | | | trans | 73 | 149.5 | 160.1 | 47.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 441 | V | 37.4 | Very low | 37.3 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 58% | 0.576 | 67% | 0.668 | S | S | * | * | | | trans | 112.7 | 138.9 | 171.7 | -47.7 | 0 | 0 | 0 | 0 | 120.3 | D578 | V441-D578 HydrophobicContact CB-CB 4.46Å; V441-D578 HydrophobicContact CG2-CB 4.01Å |
| 442 | E | 40 | Very low | 38.4 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 59% | 0.589 | 68% | 0.683 | S | S | * | * | | | trans | -156.3 | 4.2 | -156.3 | -40 | 77.6 | 20 | 0 | 0 | 124.3 | S576 P577 | E442-S576 WeakPolarHBondContact OE1-CB 3.41Å; E442-S576 PolarHBondContact OE1-OG 2.76Å; E442-P577 CarbonylContact C-O 3.59Å; E442-P577 WeakPolarHBondContact CA-O 3.2Å; E442-P577 PolarHBondContact N-O 3.23Å |
| 443 | E | 35.3 | Very low | 39.3 | Very low | 40 Ų | 40 | 129.6 Ų | 129.6 | 19% | 0.187 | 70% | 0.695 | C | S | . | * | | | trans | -96.7 | 146.2 | -155.9 | -113.8 | -126.4 | 149 | 0 | 0 | 124.6 | R575 P577 | E443-R575 HydrophobicContact CG-CG 3.88Å; E443-R575 WeakPolarHBondContact OE1-CG 3.41Å; E443-R575 IonicContact OE1-CZ 3.27Å; E443-R575 IonicContact OE1-NE 2.88Å; E443-R575 PolarHBondContact OE1-NE 3.46Å; E443-R575 IonicContact OE1-NH2 2.8Å; E443-R575 IonicContact OE2-CZ 2.98Å; E443-R575 VanDerWaalsContact OE2-CZ 3.23Å; E443-R575 IonicContact OE2-NE 3.12Å; E443-R575 PolarHBondContact OE2-NE 2.91Å; E443-R575 VanDerWaalsContact OE2-NE 3.12Å; E443-R575 IonicContact OE2-NH2 3.99Å; E443-R575 PolarHBondContact OE2-NH2 2.97Å; E443-P577 HydrophobicContact CB-CB 3.69Å; E443-P577 HydrophobicContact CB-CG 3.77Å; E443-P577 HydrophobicContact CG-CG 4.25Å; E443-P577 PolarHBondContact N-O 3.22Å |
| 444 | V | 38.1 | Very low | 39.2 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 60% | 0.6 | 71% | 0.71 | S | S | * | * | | | trans | 8.2 | 131.5 | 136.4 | -179.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 445 | V | 37.8 | Very low | 39.4 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | | | | -158.6 | 118.3 | 112 | 145.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 446 | S | 33.6 | Very low | 40 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 57% | 0.573 | 72% | 0.719 | S | S | * | * | | | trans | 31.4 | 126.1 | 149.7 | -71.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 447 | R | 34 | Very low | 39.9 | Very low | 230 Ų | 230 | 132.3 Ų | 132.3 | 87% | 0.868 | 73% | 0.729 | S | S | * | * | | | | 64.7 | 103.9 | 128.7 | -56.6 | 167.6 | -166.3 | -115.6 | 5.4 | 120.2 | | |
| 448 | R | 34.7 | Very low | 39.9 | Very low | 248 Ų | 248 | 134.7 Ų | 134.7 | 94% | 0.936 | 74% | 0.738 | S | S | * | * | | | | -168.2 | 143 | 109.4 | -113.4 | 175 | 175.5 | 164.5 | -0.8 | 113.7 | | |
| 449 | T | 34.6 | Very low | 40.1 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | | | trans | -81.7 | 140.5 | 171.4 | -30.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 450 | P | 46.2 | Very low | 40.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | | | trans | -119.3 | 134.5 | 154.8 | 34.8 | -23.8 | 0 | 0 | 0 | 112 | | |
| 451 | S | 37.3 | Very low | 40.4 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 156.3 | 172 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 452 | P | 58.8 | Low | 40.5 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 158.3 | 167 | 28 | -34.1 | 0 | 0 | 0 | 112 | | |
| 453 | P | 58.3 | Low | 40.4 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 157.7 | -156.8 | 32.7 | -37.6 | 0 | 0 | 0 | 115.7 | | |
| 454 | P | 36.3 | Very low | 40.5 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 150.7 | 177 | 34.4 | -35.4 | 0 | 0 | 0 | 113.3 | | |
| 455 | L | 45.8 | Very low | 40.6 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 149 | 162.3 | -78.7 | 167.3 | 0 | 0 | 0 | 110.6 | | |
| 456 | P | 52.4 | Low | 40.6 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 144.5 | -165.5 | 30.1 | -35.9 | 0 | 0 | 0 | 113.9 | | |
| 457 | Q | 36.1 | Very low | 40.7 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81 | 150.7 | 167.5 | -64.1 | 174.4 | -27 | 0 | 0 | 110.9 | | |
| 458 | W | 35.6 | Very low | 41 | Very low | 246 Ų | 246 | 142.1 Ų | 142.1 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -138.2 | 130.8 | 140.4 | -129.2 | -18.9 | 0 | 0 | 0 | 111.5 | | |
| 459 | T | 40 | Very low | 40.8 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 64% | 0.638 | 80% | 0.801 | S | S | * | * | | | trans | -26.1 | 160.7 | 165.9 | 48 | 0 | 0 | 0 | 0 | 118.9 | | |
| 460 | Q | 38.9 | Very low | 41.1 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | cis | -179.3 | 129.1 | -14.9 | 174 | 172.7 | 7.7 | 0 | 0 | 106.7 | | |
| 461 | G | 37.9 | Very low | 40.5 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -164.7 | 40 | -163.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 462 | V | 38.2 | Very low | 40.3 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | 50.5 | 104.1 | 149 | -172.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 463 | A | 38.4 | Very low | 39.4 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 65 | 155.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 464 | R | 37.5 | Very low | 38.2 | Very low | 226 Ų | 226 | 139.1 Ų | 139.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | cis | -150.4 | 134.1 | 5.4 | -164.6 | -179.3 | -76.5 | -130.7 | 1.7 | 111.3 | | |
| 465 | V | 40.1 | Very low | 38 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | 28.7 | 126.1 | 151.6 | -175.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 466 | G | 37.2 | Very low | 37.5 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | 160.9 | 102.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 467 | N | 36.1 | Very low | 36.8 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -107.9 | 169.8 | 169.5 | -88.1 | -26.7 | 0 | 0 | 0 | 109.6 | | |
| 468 | P | 41.4 | Very low | 37 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | | | cis | -140.8 | -171.7 | -38.7 | 41.3 | -24.5 | 0 | 0 | 0 | 113.5 | | |
| 469 | C | 30.8 | Very low | 37.7 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | | | trans | 76 | 160.4 | 153.9 | -73.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 470 | P | 40 | Very low | 37.5 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -129.7 | 159.7 | -147 | 42 | -27.2 | 0 | 0 | 0 | 117.1 | | |
| 471 | E | 33.9 | Very low | 37.7 | Very low | 199 Ų | 199 | 138 Ų | 138 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | trans | -153.4 | 172.7 | 155.1 | -139 | 171.1 | 143.6 | 0 | 0 | 111.1 | | |
| 472 | A | 32.3 | Very low | 38.1 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | | | trans | -114.6 | -172.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 473 | P | 39.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | cis | -129.9 | -145.7 | -10.5 | 30.6 | -5.9 | 0 | 0 | 0 | 111.5 | | |
| 474 | L | 33.4 | Very low | 38.7 | Very low | 145 Ų | 145 | 143 Ų | 143 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | | | trans | 93.8 | 116.6 | 158.8 | -61.1 | 166.9 | 0 | 0 | 0 | 121.1 | | |
| 475 | V | 33.2 | Very low | 38.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | | | | 33.6 | 116.3 | 129.2 | -173 | 0 | 0 | 0 | 0 | 119.1 | | |
| 476 | W | 34.4 | Very low | 38.9 | Very low | 259 Ų | 259 | 137.3 Ų | 137.3 | 98% | 0.981 | 81% | 0.808 | S | S | * | * | | | trans | -86 | 145.3 | 162.2 | -74.8 | 77.4 | 0 | 0 | 0 | 112.2 | | |
| 477 | K | 37.5 | Very low | 39.1 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | | | trans | -119.6 | 153.2 | -171.3 | -158.4 | 174.3 | -175.7 | 179.2 | 0 | 111.1 | | |
| 478 | V | 40.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -64.9 | 140.5 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 479 | P | 50.1 | Low | 39.1 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -85 | 116.8 | -179.5 | 32.1 | -34.3 | 0 | 0 | 0 | 114.5 | | |
| 480 | N | 35.6 | Very low | 39.4 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | 34.4 | 126.4 | 132 | -52.9 | -30.4 | 0 | 0 | 0 | 121.6 | | |
| 481 | S | 44.3 | Very low | 39.1 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -138.3 | 157.5 | 138.2 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 482 | R | 45.3 | Very low | 39 | Very low | 252 Ų | 252 | 142.4 Ų | 142.4 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | | | trans | -145.4 | 138 | -156 | 163.2 | -177.2 | 163.7 | -172.2 | -4.7 | 113.3 | | |
| 483 | G | 48.6 | Very low | 39 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | 106.1 | 142.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 484 | G | 40.5 | Very low | 38.7 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | cis | -171.9 | 165.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 485 | D | 42.7 | Very low | 38.9 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | | | trans | 54.3 | 96.8 | 159.6 | -57.9 | -10.4 | 0 | 0 | 0 | 122.1 | | |
| 486 | A | 39.5 | Very low | 38.9 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | | | | 85.9 | 143.8 | 113.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 487 | V | 41.5 | Very low | 38.7 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 93% | 0.933 | 80% | 0.804 | S | S | * | * | | | trans | 64.9 | 127.2 | 172.4 | -167 | 0 | 0 | 0 | 0 | 115.3 | | |
| 488 | G | 37.8 | Very low | 38.3 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | 168.9 | -7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 489 | L | 40.5 | Very low | 37.8 | Very low | 171 Ų | 171 | 134 Ų | 134 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | 67.4 | 153.5 | 179.9 | -60.8 | 163.1 | 0 | 0 | 0 | 116 | | |
| 490 | S | 36.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | 32.2 | 95.7 | 167.3 | -58.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 491 | R | 32.3 | Very low | 36.9 | Very low | 227 Ų | 227 | 137.1 Ų | 137.1 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | | 40.2 | 100.3 | 53.6 | -81.3 | -171.2 | 179.1 | -175.3 | 0.3 | 110.8 | | |
| 492 | D | 33.7 | Very low | 36.4 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | cis | 62.4 | 79.8 | 32.9 | -145.9 | 26.8 | 0 | 0 | 0 | 111.2 | | |
| 493 | S | 30.7 | Very low | 35.9 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -171.3 | 147 | 168.8 | -69.1 | 0 | 0 | 0 | 0 | 105.5 | | |
| 494 | S | 33 | Very low | 35.6 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | cis | -150.8 | 132.7 | 16 | -22.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 495 | L | 39.7 | Very low | 35.7 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | | -58.2 | 140.5 | 128.1 | -69.6 | 165.5 | 0 | 0 | 0 | 106.3 | | |
| 496 | P | 32.2 | Very low | 35.8 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | | -153.1 | 164.7 | 97.3 | 42.9 | -26.6 | 0 | 0 | 0 | 116.1 | | |
| 497 | A | 29.3 | Very low | 36 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | | 45.6 | 129.1 | 128.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 498 | L | 30.6 | Very low | 35.8 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | | 62.4 | 123.5 | 122.3 | -60.7 | 174.6 | 0 | 0 | 0 | 120.4 | | |
| 499 | L | 28.4 | Very low | 35.9 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | 76.1 | 161.3 | 146.9 | -61.1 | 167.9 | 0 | 0 | 0 | 116.6 | | |
| 500 | P | 38.6 | Very low | 35.7 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | trans | -104.1 | 171.1 | -158.7 | 39.3 | -34.8 | 0 | 0 | 0 | 114.6 | | |
| 501 | R | 29.5 | Very low | 35.6 | Very low | 215 Ų | 215 | 136.5 Ų | 136.5 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | | | trans | 135 | 109.8 | 130.6 | -167.9 | 167.3 | -173.4 | -168.2 | -3.8 | 117.4 | | |
| 502 | E | 33.9 | Very low | 36.2 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | trans | 64 | 99.4 | 131.8 | -154.8 | 169.9 | -167.5 | 0 | 0 | 123.4 | | |
| 503 | A | 34.5 | Very low | 36.4 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | | | trans | 63.3 | 172 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 504 | P | 42.4 | Very low | 37.1 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | cis | -129.6 | -170.4 | -32.3 | 27.5 | -4.3 | 0 | 0 | 0 | 115.3 | | |
| 505 | H | 41.9 | Very low | 37.5 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | | | trans | -84.2 | 175.1 | -178.5 | -43.6 | -84.4 | 0 | 0 | 0 | 115.8 | | |
| 506 | P | 45.4 | Very low | 37.8 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | | -154.5 | 147 | 100.6 | 40.3 | -20.9 | 0 | 0 | 0 | 119 | | |
| 507 | I | 43 | Very low | 38.6 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | | | | 86.8 | 145.6 | 94 | -62.7 | 179.6 | 0 | 0 | 0 | 116.2 | P1009 | I507-P1009 HydrophobicContact CB-CG 4.13Å; I507-P1009 HydrophobicContact CD1-CG 4.45Å; I507-P1009 HydrophobicContact CG1-CG 3.75Å; I507-P1009 HydrophobicContact CG2-CG 3.93Å |
| 508 | E | 38.8 | Very low | 39.6 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 33% | 0.327 | 75% | 0.746 | S | S | . | * | | | cis | -110.2 | -109.9 | 2.7 | -166.2 | -159.7 | -148.4 | 0 | 0 | 114.2 | R510 P1009 | E508-R510 IonicContact OE1-CZ 2.63Å; E508-R510 VanDerWaalsContact OE1-CZ 3.27Å; E508-R510 IonicContact OE1-NE 2.84Å; E508-R510 PolarHBondContact OE1-NE 2.86Å; E508-R510 IonicContact OE1-NH2 3.57Å; E508-R510 PolarHBondContact OE1-NH2 3.3Å; E508-R510 WeakPolarHBondContact OE2-CG 3.44Å; E508-R510 IonicContact OE2-CZ 3.67Å; E508-R510 IonicContact OE2-NE 2.68Å; E508-R510 PolarHBondContact OE2-NE 3.47Å; E508-R510 VanDerWaalsContact OE2-NE 3.12Å; E508-P1009 HydrophobicContact CB-CG 4.4Å; E508-P1009 HydrophobicContact CG-CB 4.15Å; E508-P1009 HydrophobicContact CG-CG 4.07Å |
| 509 | T | 39.3 | Very low | 39.8 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | | | cis | -151.5 | -163.3 | 7.8 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 510 | R | 35.8 | Very low | 40.9 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | -135.6 | 128.9 | -154.1 | -72.6 | 178.5 | -168.8 | -160.4 | -3.2 | 120.7 | E508 | E508-R510 IonicContact OE1-CZ 2.63Å; E508-R510 VanDerWaalsContact OE1-CZ 3.27Å; E508-R510 IonicContact OE1-NE 2.84Å; E508-R510 PolarHBondContact OE1-NE 2.86Å; E508-R510 IonicContact OE1-NH2 3.57Å; E508-R510 PolarHBondContact OE1-NH2 3.3Å; E508-R510 WeakPolarHBondContact OE2-CG 3.44Å; E508-R510 IonicContact OE2-CZ 3.67Å; E508-R510 IonicContact OE2-NE 2.68Å; E508-R510 PolarHBondContact OE2-NE 3.47Å; E508-R510 VanDerWaalsContact OE2-NE 3.12Å |
| 511 | T | 34 | Very low | 41.4 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | | 31.3 | 165.6 | 107.1 | 52.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 512 | P | 45 | Very low | 42.2 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | cis | -145.1 | -162.2 | 26.3 | 45 | -22.7 | 0 | 0 | 0 | 119.1 | | |
| 513 | S | 38.2 | Very low | 42.5 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -131.7 | 177.5 | -163.6 | -26.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 514 | P | 46.8 | Very low | 42.8 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | | | trans | -106.5 | -176.8 | 143.9 | 38.5 | -29.1 | 0 | 0 | 0 | 111.5 | | |
| 515 | G | 39.8 | Very low | 42.6 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | cis | 166.9 | 151.2 | -10 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 516 | E | 47 | Very low | 42.4 | Very low | 187 Ų | 187 | 124.7 Ų | 124.7 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | | | trans | 59.1 | 147.5 | 164.2 | -57.5 | -162.1 | 110.3 | 0 | 0 | 123.5 | | |
| 517 | T | 49.9 | Very low | 42.1 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | | | | -172.3 | 170.3 | -51.4 | -92.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 518 | W | 48.6 | Very low | 42 | Very low | 227 Ų | 227 | 123.5 Ų | 123.5 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | trans | 87.3 | 147.3 | 172.5 | -49.9 | 98.9 | 0 | 0 | 0 | 117.1 | | |
| 519 | S | 35.5 | Very low | 41.9 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | cis | -166.6 | 134.9 | -39.2 | -105.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 520 | P | 51.9 | Low | 42.1 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -124.4 | 179.1 | -174.9 | 43.5 | -33.4 | 0 | 0 | 0 | 116.4 | | |
| 521 | V | 49.6 | Very low | 42.2 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | -155 | 148.7 | -178.6 | 140.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 522 | V | 44.8 | Very low | 42.4 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 62% | 0.618 | 77% | 0.766 | S | S | * | * | | | cis | -166.5 | 152.2 | -27.1 | 80.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 523 | Q | 41.7 | Very low | 42 | Very low | 186 Ų | 186 | 126.7 Ų | 126.7 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | 48.1 | 139.5 | 160.3 | -73.8 | 153.6 | 9.2 | 0 | 0 | 122.3 | | |
| 524 | G | 38.8 | Very low | 42 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | | | cis | 164.1 | 163.1 | -11.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 525 | A | 39.2 | Very low | 41.6 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 66.5 | 154.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 526 | S | 38.2 | Very low | 41.5 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | cis | -179.6 | 163.1 | -15.9 | -90.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 527 | T | 39.4 | Very low | 41 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | cis | -172.9 | 161.1 | -21.9 | 31 | 0 | 0 | 0 | 0 | 108.8 | | |
| 528 | A | 39.3 | Very low | 40.1 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | trans | 70.5 | 162.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 529 | L | 38.1 | Very low | 39.5 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | cis | -157.2 | -157.8 | -22.5 | -102.6 | 168.1 | 0 | 0 | 0 | 106.8 | | |
| 530 | H | 41.9 | Very low | 39.3 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | | | cis | -160.1 | -160.4 | 14.2 | -157.5 | -124.8 | 0 | 0 | 0 | 113.5 | | |
| 531 | Q | 38 | Very low | 38.6 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | trans | -94.4 | -179.9 | -173.3 | -82.3 | -171.6 | -50.3 | 0 | 0 | 115.5 | | |
| 532 | E | 39.3 | Very low | 38 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | cis | -173.5 | 177.9 | -24.1 | -176.1 | 163.5 | 131.4 | 0 | 0 | 109.5 | | |
| 533 | A | 35.9 | Very low | 37.9 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | | | trans | -74 | -165.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 534 | M | 38.5 | Very low | 38.3 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 77% | 0.768 | 74% | 0.736 | S | S | * | * | | | cis | -166.8 | 171.2 | 11 | -121.2 | -117.4 | 175.2 | 0 | 0 | 113.2 | | |
| 535 | N | 37.8 | Very low | 38.1 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | 74.4 | 150.1 | 152.5 | -70.7 | -36.4 | 0 | 0 | 0 | 124.3 | | |
| 536 | G | 37.7 | Very low | 38.6 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | | | trans | 96.2 | 103.5 | 168 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 537 | L | 36.2 | Very low | 38.7 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | cis | 89.6 | 126 | 33.3 | -141.7 | 170.7 | 0 | 0 | 0 | 114 | | |
| 538 | T | 32.7 | Very low | 38.8 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | | | trans | 92 | 112.5 | 161 | -9.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 539 | Q | 34.6 | Very low | 39.3 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | 56.7 | 167.4 | 143.5 | -68.5 | 175.8 | 65.2 | 0 | 0 | 118.3 | | |
| 540 | E | 30.8 | Very low | 39.5 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | cis | -154.4 | 177.8 | 6.9 | -144.7 | -177.2 | 119.3 | 0 | 0 | 111.2 | | |
| 541 | L | 37.9 | Very low | 39.4 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | | | trans | 74.6 | 123.2 | 153.3 | -70.3 | 161.8 | 0 | 0 | 0 | 123.6 | | |
| 542 | E | 38.1 | Very low | 39.8 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | trans | -73.2 | -164.7 | 156.5 | -136.7 | -142.4 | 126.6 | 0 | 0 | 110.2 | | |
| 543 | P | 41 | Very low | 39.7 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | cis | -138.2 | -141.4 | 9.5 | 35.7 | -7.1 | 0 | 0 | 0 | 114.6 | | |
| 544 | P | 50.3 | Low | 39.8 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 58% | 0.578 | 75% | 0.745 | S | S | * | * | | | | -138.1 | -158.2 | -97 | 45 | -25.4 | 0 | 0 | 0 | 117.2 | | |
| 545 | T | 34.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | 90.9 | 156.1 | 151.5 | 30.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 546 | P | 50.2 | Low | 39.3 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | | -143 | -152.8 | -122.4 | 46.5 | -24.7 | 0 | 0 | 0 | 116.6 | | |
| 547 | S | 39.5 | Very low | 39 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | 100.9 | 144.4 | 165.4 | -47.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 548 | A | 43.3 | Very low | 38.8 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | | | cis | -158.3 | -152.6 | -16.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 549 | P | 48.7 | Very low | 38.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | | -128.2 | -170.7 | -103.2 | 42.1 | -24.9 | 0 | 0 | 0 | 116.8 | | |
| 550 | A | 42.4 | Very low | 38.3 | Very low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | | | trans | 84.6 | 135.3 | 165 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 551 | T | 39.6 | Very low | 38.3 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | cis | 145 | 158.1 | -13.9 | 34.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 552 | P | 47 | Very low | 37.9 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | cis | -140.4 | -170.3 | -13.9 | 37.3 | -16 | 0 | 0 | 0 | 115.1 | | |
| 553 | E | 37.1 | Very low | 37.5 | Very low | 173 Ų | 173 | 125 Ų | 125 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | 67.4 | 135.8 | 157.9 | -56.7 | -158.7 | 162.5 | 0 | 0 | 120.1 | | |
| 554 | L | 37.6 | Very low | 37.2 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | cis | -153.1 | 132.5 | -5.2 | -120.4 | 170.2 | 0 | 0 | 0 | 109.8 | | |
| 555 | T | 31.1 | Very low | 36.3 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -146.7 | 142 | 179.5 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 556 | E | 35.2 | Very low | 36.3 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | | | trans | 8.9 | 122.7 | 162.2 | -57.2 | 173.6 | 162.2 | 0 | 0 | 121.1 | | |
| 557 | A | 31.9 | Very low | 35.5 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | -140.6 | 134.4 | 141.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 558 | L | 31.2 | Very low | 35.4 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | cis | 78 | 150.7 | 44.1 | -65.8 | 178.9 | 0 | 0 | 0 | 114.6 | | |
| 559 | C | 27.4 | Very low | 35.1 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | | | trans | 71.6 | 116.4 | -172.9 | -60.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 560 | L | 29.6 | Very low | 34.7 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | | | | 84.2 | 135.8 | 52.2 | -72.9 | 168.3 | 0 | 0 | 0 | 112.9 | | |
| 561 | L | 31 | Very low | 34.6 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | 68.3 | 158.8 | 169.1 | -58.9 | 152.8 | 0 | 0 | 0 | 115 | | |
| 562 | S | 29 | Very low | 34.5 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | cis | -171.3 | 130.3 | -28.8 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 563 | L | 30.9 | Very low | 34 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | 64.3 | 175.1 | 153.6 | -154.1 | 65 | 0 | 0 | 0 | 118.6 | | |
| 564 | E | 33 | Very low | 34 | Very low | 142 Ų | 142 | 132 Ų | 132 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | trans | 85.5 | 78.2 | 149 | -151.9 | 88.9 | -121.2 | 0 | 0 | 119.5 | | |
| 565 | N | 32.3 | Very low | 34.1 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | | 52.8 | 132.8 | 120.3 | -59.1 | -32.4 | 0 | 0 | 0 | 123.1 | | |
| 566 | A | 34.6 | Very low | 34 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | | | trans | 64.8 | 148.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 567 | G | 33.4 | Very low | 34.8 | Very low | 62 Ų | 62 | 123.1 Ų | 123.1 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | | | cis | 134.2 | 160.7 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 568 | I | 37.6 | Very low | 35.4 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 91% | 0.908 | 72% | 0.719 | S | S | * | * | | | trans | 74.7 | 140.4 | 176 | -52.4 | 169.5 | 0 | 0 | 0 | 114.2 | | |
| 569 | A | 36.8 | Very low | 35.9 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | cis | -174.7 | -172 | -28.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 570 | V | 40.1 | Very low | 36.7 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | | | trans | 73.1 | 138.7 | 148.3 | 154.7 | 0 | 0 | 0 | 0 | 117 | | |
| 571 | R | 39.4 | Very low | 36.9 | Very low | 237 Ų | 237 | 122.9 Ų | 122.9 | 89% | 0.894 | 72% | 0.717 | S | S | * | * | | | cis | -149.8 | 166.4 | -9.3 | -106.3 | 169.6 | -172.4 | -162.7 | 2 | 106.1 | | |
| 572 | G | 39.2 | Very low | 37.6 | Very low | 81 Ų | 81 | 120.9 Ų | 120.9 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | | | cis | 113.1 | 138.6 | 23 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 573 | G | 36.6 | Very low | 38.3 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | | | cis | 167 | -171.2 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 574 | Q | 37 | Very low | 38.4 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | | | trans | 76.4 | 163.1 | 165.3 | -51.1 | -64.2 | 32.9 | 0 | 0 | 119.3 | | |
| 575 | R | 38.4 | Very low | 38.8 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | | | cis | 169.5 | 143.5 | -24.5 | -162.7 | -166.3 | 176.2 | -132.5 | -7.7 | 108.2 | E443 | E443-R575 HydrophobicContact CG-CG 3.88Å; E443-R575 WeakPolarHBondContact OE1-CG 3.41Å; E443-R575 IonicContact OE1-CZ 3.27Å; E443-R575 IonicContact OE1-NE 2.88Å; E443-R575 PolarHBondContact OE1-NE 3.46Å; E443-R575 IonicContact OE1-NH2 2.8Å; E443-R575 IonicContact OE2-CZ 2.98Å; E443-R575 VanDerWaalsContact OE2-CZ 3.23Å; E443-R575 IonicContact OE2-NE 3.12Å; E443-R575 PolarHBondContact OE2-NE 2.91Å; E443-R575 VanDerWaalsContact OE2-NE 3.12Å; E443-R575 IonicContact OE2-NH2 3.99Å; E443-R575 PolarHBondContact OE2-NH2 2.97Å |
| 576 | S | 30 | Very low | 39.1 | Very low | 46 Ų | 46 | 128 Ų | 128 | 32% | 0.322 | 73% | 0.725 | S | S | . | * | | | cis | 85.2 | 0 | 22.1 | -42.9 | 0 | 0 | 0 | 0 | 113.6 | E442 | E442-S576 WeakPolarHBondContact OE1-CB 3.41Å; E442-S576 PolarHBondContact OE1-OG 2.76Å |
| 577 | P | 50.9 | Low | 39 | Very low | 53 Ų | 53 | 127 Ų | 127 | 34% | 0.344 | 71% | 0.712 | S | S | . | * | | | | 0 | 160.5 | 0 | 11.6 | 7.2 | 0 | 0 | 0 | 122.2 | E442 E443 | E442-P577 CarbonylContact C-O 3.59Å; E442-P577 WeakPolarHBondContact CA-O 3.2Å; E442-P577 PolarHBondContact N-O 3.23Å; E443-P577 HydrophobicContact CB-CB 3.69Å; E443-P577 HydrophobicContact CB-CG 3.77Å; E443-P577 HydrophobicContact CG-CG 4.25Å; E443-P577 PolarHBondContact N-O 3.22Å |
| 578 | D | 44.2 | Very low | 39.1 | Very low | 110 Ų | 110 | 132 Ų | 132 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | | | cis | -161.9 | -178.4 | -2.7 | -135.1 | -53.7 | 0 | 0 | 0 | 115.8 | V441 | V441-D578 HydrophobicContact CB-CB 4.46Å; V441-D578 HydrophobicContact CG2-CB 4.01Å |
| 579 | V | 42.5 | Very low | 39 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | | | trans | -154.8 | 151.3 | -159.6 | 68 | 0 | 0 | 0 | 0 | 121.9 | | |
| 580 | D | 44.4 | Very low | 38.9 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | | | trans | -162.3 | -172.6 | 162.1 | -157.6 | 6.4 | 0 | 0 | 0 | 118.4 | | |
| 581 | T | 34.1 | Very low | 38.6 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | | | trans | -150.9 | 176.3 | -158.5 | 43.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 582 | P | 46.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | | | trans | -132.2 | 176.9 | -165.1 | 46 | -34.2 | 0 | 0 | 0 | 121.8 | | |
| 583 | E | 42.8 | Very low | 38.4 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | | | trans | -142.7 | -178.3 | 165.4 | -129 | -128.7 | 91.9 | 0 | 0 | 117.7 | | |
| 584 | Q | 33.6 | Very low | 38.6 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | | | trans | -132 | -127.8 | -151.2 | -147 | -157.1 | -0.3 | 0 | 0 | 121.8 | | |
| 585 | P | 41.4 | Very low | 38.7 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 49% | 0.487 | 70% | 0.703 | S | S | . | * | | | | -123 | 166.9 | -120 | 34.8 | -15.9 | 0 | 0 | 0 | 120.5 | | |
| 586 | R | 37.1 | Very low | 38.7 | Very low | 226 Ų | 226 | 129.8 Ų | 129.8 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | | | | 157.3 | 121 | 123.8 | -86.9 | 167.7 | 177.3 | 144.3 | 0.9 | 119.8 | | |
| 587 | S | 32.7 | Very low | 39.1 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | | | trans | 59.3 | 139.2 | 130.8 | 72.6 | 0 | 0 | 0 | 0 | 126.8 | | |
| 588 | H | 35.5 | Very low | 38.3 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | 84.4 | 152.5 | 148.1 | -60.5 | -38.6 | 0 | 0 | 0 | 120 | | |
| 589 | L | 36.2 | Very low | 38.2 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | cis | -157 | -145.2 | -12.2 | -114.9 | 173 | 0 | 0 | 0 | 115.6 | | |
| 590 | T | 33.7 | Very low | 37.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | | | trans | -71.9 | 152.1 | -167.5 | -11.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 591 | S | 34.1 | Very low | 37.2 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -161.4 | 168 | 162.2 | -164.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 592 | T | 33.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | -161.3 | 174.3 | -171.7 | -18.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 593 | L | 42.4 | Very low | 37 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | 73.7 | 153.8 | 171.7 | -88 | 81.5 | 0 | 0 | 0 | 117.9 | | |
| 594 | D | 39.8 | Very low | 36.6 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | | | cis | -164.8 | 169.4 | -30 | -133.2 | -23.9 | 0 | 0 | 0 | 111.4 | | |
| 595 | D | 40 | Very low | 36.7 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 46.7 | 158 | 153 | -81.4 | -24.1 | 0 | 0 | 0 | 122.5 | | |
| 596 | D | 37.5 | Very low | 36.3 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | cis | -163.8 | 179.7 | -11.6 | 177.7 | 31.1 | 0 | 0 | 0 | 109.1 | | |
| 597 | V | 39 | Very low | 36.3 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | | | trans | 90.4 | 125.8 | 160.3 | -168 | 0 | 0 | 0 | 0 | 119.9 | | |
| 598 | C | 34.1 | Very low | 36.3 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -124 | 162.7 | 166.3 | -92.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 599 | P | 41.1 | Very low | 36.4 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | | | | -159.6 | -168.4 | 64.1 | 43.7 | -20.5 | 0 | 0 | 0 | 117.4 | | |
| 600 | E | 31.8 | Very low | 36.3 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | 38.1 | 146 | 144.9 | -72.1 | -178.4 | 126.5 | 0 | 0 | 121.8 | | |
| 601 | A | 34.3 | Very low | 36.6 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | | | cis | -163.8 | 172.4 | 29.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 602 | V | 40.6 | Very low | 36.9 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | | | trans | 63.2 | 134 | 162.9 | -164.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 603 | G | 36.3 | Very low | 37.2 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | | | cis | 159.1 | 156.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 604 | S | 33.9 | Very low | 37.3 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 98% | 0.979 | 81% | 0.805 | S | S | * | * | | | trans | 69.3 | 145.4 | 173.3 | -159.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 605 | G | 35.7 | Very low | 37.6 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | 142.4 | 47.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 606 | E | 34 | Very low | 37.7 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -79.1 | 125.1 | -176.2 | -176.7 | -176.1 | 163.4 | 0 | 0 | 114.3 | | |
| 607 | A | 35.5 | Very low | 38.5 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -163.7 | 133.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 608 | A | 33.8 | Very low | 39.1 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -107.8 | 151.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 609 | S | 36.4 | Very low | 40 | Very low | 126 Ų | 126 | 141 Ų | 141 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | | | trans | -156 | 85.1 | 158.7 | -161.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 610 | E | 35.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | | | trans | -77.7 | 137.3 | 176.5 | -79 | -154.3 | 108.1 | 0 | 0 | 112.5 | | |
| 611 | R | 39.7 | Very low | 41.2 | Very low | 230 Ų | 230 | 141.3 Ų | 141.3 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -72 | 138.6 | 173.4 | -79.6 | 177.5 | 166 | 165.9 | -5 | 111.7 | R613 | R611-R613 PolarHBondContact O-N 3.03Å; R611-R613 VanDerWaalsContact O-N 3.13Å |
| 612 | P | 39.9 | Very low | 42.3 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -68.4 | 110.8 | -179.7 | 27.7 | -34.7 | 0 | 0 | 0 | 112.1 | V614 | P612-V614 PolarHBondContact O-N 3.21Š|
| 613 | R | 40.9 | Very low | 43.2 | Very low | 215 Ų | 215 | 146.2 Ų | 146.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -82 | 93.8 | 174.4 | -72.6 | -179.3 | 174 | 153.1 | 0.7 | 111.2 | R611 T615 | R611-R613 PolarHBondContact O-N 3.03Å; R611-R613 VanDerWaalsContact O-N 3.13Å; R613-T615 PolarHBondContact O-N 3.03Å; R613-T615 PolarHBondContact O-OG1 3.19Å; R613-T615 VanDerWaalsContact O-OG1 3.07Å |
| 614 | V | 43.2 | Very low | 44.2 | Very low | 142 Ų | 142 | 150 Ų | 150 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -57.1 | 104.2 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | P612 | P612-V614 PolarHBondContact O-N 3.21Š|
| 615 | T | 45.8 | Very low | 45.1 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | trans | -94.5 | 112.3 | -173.8 | -64.4 | 0 | 0 | 0 | 0 | 110 | R613 P617 | R613-T615 PolarHBondContact O-N 3.03Å; R613-T615 PolarHBondContact O-OG1 3.19Å; R613-T615 VanDerWaalsContact O-OG1 3.07Å; T615-P617 WeakPolarHBondContact O-CD 3.41Å |
| 616 | I | 43.1 | Very low | 46.2 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 121 | 177.1 | -57 | 176.3 | 0 | 0 | 0 | 109.2 | R618 | I616-R618 PolarHBondContact O-N 3.23Š|
| 617 | P | 54.5 | Low | 47.2 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 118.9 | -177.1 | 26.2 | -33.6 | 0 | 0 | 0 | 110.2 | T615 | T615-P617 WeakPolarHBondContact O-CD 3.41Š|
| 618 | R | 52.1 | Low | 48.2 | Very low | 229 Ų | 229 | 148.8 Ų | 148.8 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 140.7 | 179.9 | -72.5 | -174.5 | 171.4 | 178.1 | -0.5 | 110.8 | I616 R620 | I616-R618 PolarHBondContact O-N 3.23Å; R618-R620 VanDerWaalsContact C-N 3.26Å; R618-R620 PolarHBondContact O-N 3.38Å |
| 619 | P | 51.7 | Low | 49.1 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -75.8 | 71.3 | -175.1 | 31.5 | -37.1 | 0 | 0 | 0 | 112.3 | | |
| 620 | R | 47.1 | Very low | 49.6 | Very low | 225 Ų | 225 | 152 Ų | 152 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | | | trans | -148.7 | 52 | 179.2 | -76.3 | -163.1 | 174.5 | 162.5 | -0.8 | 114.3 | R618 | R618-R620 VanDerWaalsContact C-N 3.26Å; R618-R620 PolarHBondContact O-N 3.38Å |
| 621 | D | 52.1 | Low | 50.1 | Low | 75 Ų | 75 | 146.6 Ų | 146.6 | 40% | 0.401 | 72% | 0.72 | S | S | . | * | | | trans | -162.3 | 79.4 | 141.5 | -156.6 | -21.8 | 0 | 0 | 0 | 111.7 | R623 K624 M625 | D621-R623 PolarHBondContact O-N 2.94Å; D621-R623 WeakPolarHBondContact OD1-CB 3.49Å; D621-R623 PolarHBondContact OD1-N 2.97Å; D621-K624 HydrophobicContact CB-CB 4.02Å; D621-K624 HydrophobicContact CB-CD 4.22Å; D621-K624 HydrophobicContact CB-CG 4.21Å; D621-K624 PolarHBondContact O-N 3.26Å; D621-K624 PolarHBondContact OD1-N 2.84Å; D621-K624 WeakPolarHBondContact OD2-CD 3.43Å; D621-K624 WeakPolarHBondContact OD2-CE 3.35Å; D621-K624 VanDerWaalsContact OD2-CG 3.25Å; D621-K624 WeakPolarHBondContact OD2-CG 3.39Å; D621-K624 IonicContact OD2-NZ 3.62Å; D621-M625 PolarHBondContact O-N 2.85Å |
| 622 | V | 57.7 | Low | 50.4 | Low | 110 Ų | 110 | 140.4 Ų | 140.4 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -59.8 | -25.2 | 176.3 | -89 | 0 | 0 | 0 | 0 | 112.8 | M625 V626 | V622-M625 HydrophobicContact CG1-CE 4.49Å; V622-V626 WeakPolarHBondContact O-CG2 3.19Å; V622-V626 PolarHBondContact O-N 3.29Å |
| 623 | R | 58.2 | Low | 50.5 | Low | 225 Ų | 225 | 140.1 Ų | 140.1 | 85% | 0.849 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -74.6 | -23.6 | 174.9 | -77.5 | -177.2 | 167.1 | -177.8 | -4.4 | 113.2 | D621 | D621-R623 PolarHBondContact O-N 2.94Å; D621-R623 WeakPolarHBondContact OD1-CB 3.49Å; D621-R623 PolarHBondContact OD1-N 2.97Å |
| 624 | K | 57.4 | Low | 50.6 | Low | 143 Ų | 143 | 138.2 Ų | 138.2 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -84.3 | -39.7 | 169 | -73.1 | -179.7 | -173 | -177.7 | 0 | 112.6 | D621 V626 K627 T628 | D621-K624 HydrophobicContact CB-CB 4.02Å; D621-K624 HydrophobicContact CB-CD 4.22Å; D621-K624 HydrophobicContact CB-CG 4.21Å; D621-K624 PolarHBondContact O-N 3.26Å; D621-K624 PolarHBondContact OD1-N 2.84Å; D621-K624 WeakPolarHBondContact OD2-CD 3.43Å; D621-K624 WeakPolarHBondContact OD2-CE 3.35Å; D621-K624 VanDerWaalsContact OD2-CG 3.25Å; D621-K624 WeakPolarHBondContact OD2-CG 3.39Å; D621-K624 IonicContact OD2-NZ 3.62Å; K624-V626 PolarHBondContact O-N 2.85Å; K624-K627 CarbonylContact O-C 3.55Å; K624-K627 WeakPolarHBondContact O-CA 3.16Å; K624-K627 WeakPolarHBondContact O-CB 3.25Å; K624-K627 PolarHBondContact O-N 3.32Å; K624-T628 PolarHBondContact O-N 3.1Å; K624-T628 VanDerWaalsContact O-N 3.08Å; K624-T628 PolarHBondContact O-OG1 2.86Å |
| 625 | M | 52.2 | Low | 51.2 | Low | 116 Ų | 116 | 137.1 Ų | 137.1 | 57% | 0.571 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -59.8 | -46.6 | -178.9 | -161.5 | 166.6 | 76.3 | 0 | 0 | 111.7 | D621 V622 K627 T628 T629 | D621-M625 PolarHBondContact O-N 2.85Å; V622-M625 HydrophobicContact CG1-CE 4.49Å; M625-K627 PolarHBondContact O-N 2.82Å; M625-T628 PolarHBondContact O-N 3.16Å; M625-T628 PolarHBondContact O-OG1 2.9Å; M625-T629 WeakPolarHBondContact O-CB 3.18Å; M625-T629 PolarHBondContact O-N 3.16Å; M625-T629 PolarHBondContact O-OG1 2.76Å |
| 626 | V | 59.1 | Low | 51.1 | Low | 96 Ų | 96 | 136.1 Ų | 136.1 | 58% | 0.582 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -60.5 | -30 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | V622 K624 | V622-V626 WeakPolarHBondContact O-CG2 3.19Å; V622-V626 PolarHBondContact O-N 3.29Å; K624-V626 PolarHBondContact O-N 2.85Å |
| 627 | K | 55.8 | Low | 50.9 | Low | 179 Ų | 179 | 132.7 Ų | 132.7 | 78% | 0.778 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -78.3 | -17.1 | 177.5 | -169 | 169.8 | 179.6 | 177.8 | 0 | 113.6 | K624 M625 | K624-K627 CarbonylContact O-C 3.55Å; K624-K627 WeakPolarHBondContact O-CA 3.16Å; K624-K627 WeakPolarHBondContact O-CB 3.25Å; K624-K627 PolarHBondContact O-N 3.32Å; M625-K627 PolarHBondContact O-N 2.82Å |
| 628 | T | 55.6 | Low | 50.3 | Low | 99 Ų | 99 | 133.4 Ų | 133.4 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -102.9 | -27.1 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | K624 M625 Y630 | K624-T628 PolarHBondContact O-N 3.1Å; K624-T628 VanDerWaalsContact O-N 3.08Å; K624-T628 PolarHBondContact O-OG1 2.86Å; M625-T628 PolarHBondContact O-N 3.16Å; M625-T628 PolarHBondContact O-OG1 2.9Å; T628-Y630 PolarHBondContact O-N 3.31Å |
| 629 | T | 53.8 | Low | 49.8 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -75.9 | -18.3 | -175.1 | -62 | 0 | 0 | 0 | 0 | 114.3 | M625 | M625-T629 WeakPolarHBondContact O-CB 3.18Å; M625-T629 PolarHBondContact O-N 3.16Å; M625-T629 PolarHBondContact O-OG1 2.76Å |
| 630 | Y | 46.9 | Very low | 48.9 | Very low | 199 Ų | 199 | 125.4 Ų | 125.4 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 18.7 | 179 | -72.4 | -77.8 | 0 | 0 | 0 | 114.4 | T628 P632 | T628-Y630 PolarHBondContact O-N 3.31Å; Y630-P632 WeakPolarHBondContact O-CD 3.23Å |
| 631 | A | 45.4 | Very low | 48.4 | Very low | 59 Ų | 59 | 120.7 Ų | 120.7 | 49% | 0.488 | 70% | 0.701 | S | S | . | * | | | trans | -92.4 | 114.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S633 | A631-S633 PolarHBondContact O-N 3.2Å; A631-S633 VanDerWaalsContact O-N 3.15Å |
| 632 | P | 45.3 | Very low | 47.4 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | | | trans | -72 | 108.6 | 169.9 | -8.1 | 24.9 | 0 | 0 | 0 | 108.2 | Y630 F634 | Y630-P632 WeakPolarHBondContact O-CD 3.23Å; P632-F634 HydrophobicContact CB-CD2 4.15Å; P632-F634 HydrophobicContact CB-CE2 3.79Å; P632-F634 HydrophobicContact CB-CZ 4.38Å; P632-F634 HydrophobicContact CG-CE2 4.34Å; P632-F634 WeakPolarHBondContact O-CD2 3.48Å; P632-F634 PolarHBondContact O-N 3.41Å |
| 633 | S | 43.1 | Very low | 46.7 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | | | trans | -72.8 | 74.9 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | A631 | A631-S633 PolarHBondContact O-N 3.2Å; A631-S633 VanDerWaalsContact O-N 3.15Å |
| 634 | F | 42.6 | Very low | 46 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 77% | 0.768 | 72% | 0.724 | S | S | * | * | | | trans | -60.6 | 129.5 | 166.4 | -68.6 | -78.2 | 0 | 0 | 0 | 109.1 | P632 A636 | P632-F634 HydrophobicContact CB-CD2 4.15Å; P632-F634 HydrophobicContact CB-CE2 3.79Å; P632-F634 HydrophobicContact CB-CZ 4.38Å; P632-F634 HydrophobicContact CG-CE2 4.34Å; P632-F634 WeakPolarHBondContact O-CD2 3.48Å; P632-F634 PolarHBondContact O-N 3.41Å; F634-A636 PolarHBondContact O-N 2.87Å |
| 635 | P | 55.9 | Low | 45.1 | Very low | 119 Ų | 119 | 115.5 Ų | 115.5 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | | | trans | -63.3 | 131 | 172.7 | 27.1 | -33.1 | 0 | 0 | 0 | 108.9 | G637 | P635-G637 PolarHBondContact O-N 3.47Å; P635-G637 VanDerWaalsContact O-N 3.09Å |
| 636 | A | 44.5 | Very low | 44.9 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -65.9 | 111.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F634 T638 | F634-A636 PolarHBondContact O-N 2.87Å; A636-T638 PolarHBondContact O-N 2.75Å |
| 637 | G | 38.2 | Very low | 44.3 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | trans | -62.5 | 122 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P635 | P635-G637 PolarHBondContact O-N 3.47Å; P635-G637 VanDerWaalsContact O-N 3.09Å |
| 638 | T | 42.6 | Very low | 43.3 | Very low | 134 Ų | 134 | 112.5 Ų | 112.5 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -62 | 125.4 | -176.4 | -43.5 | 0 | 0 | 0 | 0 | 111.3 | A636 G640 | A636-T638 PolarHBondContact O-N 2.75Å; T638-G640 PolarHBondContact O-N 2.66Å |
| 639 | P | 40.7 | Very low | 42.8 | Very low | 127 Ų | 127 | 115.5 Ų | 115.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | -78.1 | 95.9 | -179.3 | 30.5 | -34 | 0 | 0 | 0 | 112.1 | | |
| 640 | G | 33.4 | Very low | 42.3 | Very low | 67 Ų | 67 | 116.6 Ų | 116.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | 92 | 125.3 | 153 | 0 | 0 | 0 | 0 | 0 | 118 | T638 | T638-G640 PolarHBondContact O-N 2.66Š|
| 641 | S | 35.2 | Very low | 41.7 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | | -177.4 | 155.1 | 114.9 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 642 | G | 32.5 | Very low | 41.4 | Very low | 75 Ų | 75 | 114.1 Ų | 114.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | 69.4 | 86.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 643 | L | 42 | Very low | 41.2 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -117.9 | 102.7 | 168.4 | -150.5 | 174.9 | 0 | 0 | 0 | 109.4 | | |
| 644 | P | 43.5 | Very low | 41 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 132.5 | 170.8 | 33.2 | -30.1 | 0 | 0 | 0 | 110.3 | | |
| 645 | A | 38.9 | Very low | 40.8 | Very low | 89 Ų | 89 | 115.6 Ų | 115.6 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 143.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 646 | P | 48.9 | Very low | 39.9 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 159.9 | 158.1 | 33.8 | -32.8 | 0 | 0 | 0 | 110.7 | | |
| 647 | P | 45.9 | Very low | 39.4 | Very low | 120 Ų | 120 | 117 Ų | 117 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 163.1 | -171.7 | 32.2 | -36.7 | 0 | 0 | 0 | 113.6 | | |
| 648 | A | 34.9 | Very low | 39.7 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -109.1 | 125.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 649 | D | 44.7 | Very low | 39.4 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | -90.5 | 158.2 | 168.5 | -79 | -51.8 | 0 | 0 | 0 | 111.3 | | |
| 650 | T | 42.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 121 Ų | 121 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -112.6 | 144.9 | -153.5 | 45.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 651 | C | 35.3 | Very low | 39.5 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | 62.1 | 139.4 | 143 | -64.2 | 0 | 0 | 0 | 0 | 122 | | |
| 652 | G | 37.4 | Very low | 39.3 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | 103.9 | 138 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 653 | E | 42.5 | Very low | 39.7 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | cis | -153.7 | 177.1 | -9.1 | -165.9 | 159.8 | 86.9 | 0 | 0 | 108.7 | | |
| 654 | D | 39.1 | Very low | 39.6 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -63 | 158.3 | -176.8 | -59.8 | -90.5 | 0 | 0 | 0 | 114.9 | | |
| 655 | G | 36.9 | Very low | 39 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -166.5 | 16.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 656 | D | 37.3 | Very low | 39 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | | | trans | 56.2 | -176.5 | 163.5 | -153 | 5.4 | 0 | 0 | 0 | 119 | | |
| 657 | A | 35.4 | Very low | 38.3 | Very low | 76 Ų | 76 | 138 Ų | 138 | 63% | 0.628 | 81% | 0.81 | S | S | * | * | | | trans | -86.8 | 151.5 | -161.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 658 | S | 43 | Very low | 37.9 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | | -167.5 | 158.4 | 95.2 | -85.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 659 | K | 37.6 | Very low | 38.5 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -18.7 | 146.7 | 161.1 | -58.4 | 152.2 | -174.4 | 166.4 | 0 | 114.5 | | |
| 660 | T | 33.7 | Very low | 38.6 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | | -173 | 152.5 | 89.4 | -78.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 661 | H | 41.1 | Very low | 39 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | 53.3 | 101.9 | 170.3 | -71.2 | -48.9 | 0 | 0 | 0 | 120.6 | | |
| 662 | K | 32 | Very low | 39.3 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 119.4 | 160.3 | 178.4 | -178.8 | -177.7 | 179.8 | 0 | 108.8 | | |
| 663 | L | 40.6 | Very low | 39.5 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 151.7 | 167.6 | -76.4 | 172.2 | 0 | 0 | 0 | 110.4 | | |
| 664 | P | 39.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 138.9 | -169.3 | 29.2 | -34.8 | 0 | 0 | 0 | 112.3 | L666 | P664-L666 PolarHBondContact O-N 3.49Š|
| 665 | A | 32.7 | Very low | 40 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 122.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | E667 | A665-E667 PolarHBondContact O-N 2.76Š|
| 666 | L | 37.9 | Very low | 40.3 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.6 | 173 | -158.9 | 80.6 | 0 | 0 | 0 | 108.2 | P664 S668 | P664-L666 PolarHBondContact O-N 3.49Å; L666-S668 PolarHBondContact O-N 2.86Å |
| 667 | E | 33.2 | Very low | 41 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.2 | 178.1 | -69 | -172.8 | 125.2 | 0 | 0 | 110.4 | A665 | A665-E667 PolarHBondContact O-N 2.76Š|
| 668 | S | 37.8 | Very low | 41.6 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.6 | 170.5 | -48.5 | 0 | 0 | 0 | 0 | 109 | L666 A670 | L666-S668 PolarHBondContact O-N 2.86Å; S668-A670 PolarHBondContact O-N 3.42Å |
| 669 | P | 47.9 | Very low | 42.1 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.2 | 172.9 | 25.9 | -33.4 | 0 | 0 | 0 | 109.1 | | |
| 670 | A | 46.5 | Very low | 42.9 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 136.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S668 A672 | S668-A670 PolarHBondContact O-N 3.42Å; A670-A672 PolarHBondContact O-N 2.8Å |
| 671 | P | 52.5 | Low | 43.8 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | -57.2 | 113.4 | 179.4 | -25.8 | 34.9 | 0 | 0 | 0 | 110.9 | H673 | P671-H673 PolarHBondContact O-CD2 2.87Å; P671-H673 PolarHBondContact O-N 2.9Å; P671-H673 VanDerWaalsContact O-N 3.07Å |
| 672 | A | 41.5 | Very low | 44.3 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 55% | 0.545 | 75% | 0.753 | S | S | . | * | | | trans | -63.7 | 113 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109 | A670 Y674 | A670-A672 PolarHBondContact O-N 2.8Å; A672-Y674 HydrophobicContact CB-CD2 3.84Å; A672-Y674 HydrophobicContact CB-CE2 3.48Å; A672-Y674 VanDerWaalsContact CB-CE2 3.48Å; A672-Y674 WeakPolarHBondContact O-CD2 3.38Å; A672-Y674 PolarHBondContact O-N 2.76Å |
| 673 | H | 40.7 | Very low | 45.4 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | | | trans | -71.9 | 75 | 178.7 | -77.7 | -90.2 | 0 | 0 | 0 | 110.7 | P671 T675 | P671-H673 PolarHBondContact O-CD2 2.87Å; P671-H673 PolarHBondContact O-N 2.9Å; P671-H673 VanDerWaalsContact O-N 3.07Å; H673-T675 PolarHBondContact O-N 2.76Å |
| 674 | Y | 42.8 | Very low | 46.3 | Very low | 209 Ų | 209 | 134 Ų | 134 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | | | trans | -68.9 | 80.5 | 170.3 | -71.8 | -75.4 | 0 | 0 | 0 | 110.4 | A672 S676 | A672-Y674 HydrophobicContact CB-CD2 3.84Å; A672-Y674 HydrophobicContact CB-CE2 3.48Å; A672-Y674 VanDerWaalsContact CB-CE2 3.48Å; A672-Y674 WeakPolarHBondContact O-CD2 3.38Å; A672-Y674 PolarHBondContact O-N 2.76Å; Y674-S676 VanDerWaalsContact C-N 3.27Å; Y674-S676 PolarHBondContact O-N 3.39Å |
| 675 | T | 50.3 | Low | 47.3 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -69.3 | 90.6 | 159.2 | 53.3 | 0 | 0 | 0 | 0 | 107.7 | H673 I677 | H673-T675 PolarHBondContact O-N 2.76Å; T675-I677 PolarHBondContact O-N 2.69Å |
| 676 | S | 42.5 | Very low | 49.1 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | | | trans | -69 | 81.5 | 169.6 | 61 | 0 | 0 | 0 | 0 | 109.1 | Y674 F678 | Y674-S676 VanDerWaalsContact C-N 3.27Å; Y674-S676 PolarHBondContact O-N 3.39Å; S676-F678 PolarHBondContact O-N 3.23Å |
| 677 | I | 51.7 | Low | 50.5 | Low | 142 Ų | 142 | 132.1 Ų | 132.1 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | | | trans | -61.8 | 95.2 | 157.1 | -53.7 | 175.1 | 0 | 0 | 0 | 104.8 | T675 L679 | T675-I677 PolarHBondContact O-N 2.69Å; I677-L679 PolarHBondContact O-N 2.97Å |
| 678 | F | 48.9 | Very low | 51.3 | Low | 174 Ų | 174 | 130 Ų | 130 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | | | trans | -64.5 | 92.5 | 163 | -79.3 | -82 | 0 | 0 | 0 | 106.6 | S676 K680 | S676-F678 PolarHBondContact O-N 3.23Å; F678-K680 PolarHBondContact O-N 3.43Å |
| 679 | L | 52.9 | Low | 52.9 | Low | 133 Ų | 133 | 130.2 Ų | 130.2 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | | | trans | -58.4 | 101.7 | 156.3 | -155.8 | 70 | 0 | 0 | 0 | 104.2 | I677 D681 | I677-L679 PolarHBondContact O-N 2.97Å; L679-D681 WeakPolarHBondContact CD2-OD1 3.4Å; L679-D681 PolarHBondContact O-N 3.01Å |
| 680 | K | 54.5 | Low | 53.5 | Low | 150 Ų | 150 | 134.9 Ų | 134.9 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | | | trans | -75.2 | 78.2 | 178.7 | -168 | 94.4 | 170 | -164.8 | 0 | 104.8 | F678 F682 | F678-K680 PolarHBondContact O-N 3.43Å; K680-F682 VanDerWaalsContact C-N 3.35Å; K680-F682 WeakPolarHBondContact O-CD2 3.22Å; K680-F682 WeakPolarHBondContact O-CE2 3.44Å; K680-F682 PolarHBondContact O-N 3.06Å |
| 681 | D | 52.4 | Low | 54.1 | Low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | | | trans | -56 | 104.8 | 176.6 | -70.5 | -25.6 | 0 | 0 | 0 | 106.7 | L679 L683 | L679-D681 WeakPolarHBondContact CD2-OD1 3.4Å; L679-D681 PolarHBondContact O-N 3.01Å; D681-L683 PolarHBondContact O-N 3.02Å |
| 682 | F | 51.5 | Low | 54.5 | Low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.803 | 71% | 0.711 | S | S | * | * | | | trans | -70.8 | 89.6 | -176.2 | -73.4 | -89.7 | 0 | 0 | 0 | 106.9 | K680 P684 | K680-F682 VanDerWaalsContact C-N 3.35Å; K680-F682 WeakPolarHBondContact O-CD2 3.22Å; K680-F682 WeakPolarHBondContact O-CE2 3.44Å; K680-F682 PolarHBondContact O-N 3.06Å; F682-P684 VanDerWaalsContact O-N 3.13Å |
| 683 | L | 56.4 | Low | 55.6 | Low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | | | trans | -46 | 123 | 158.5 | -67.4 | 179 | 0 | 0 | 0 | 106.1 | D681 V685 | D681-L683 PolarHBondContact O-N 3.02Å; L683-V685 PolarHBondContact O-N 2.94Å; L683-V685 VanDerWaalsContact O-N 3.13Å |
| 684 | P | 58.5 | Low | 56.2 | Low | 109 Ų | 109 | 139.3 Ų | 139.3 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | | | trans | -57.4 | 126 | -172.3 | 21.9 | -32.7 | 0 | 0 | 0 | 108.3 | F682 V686 | F682-P684 VanDerWaalsContact O-N 3.13Å; P684-V686 VanDerWaalsContact C-N 3.34Å; P684-V686 PolarHBondContact O-N 3.33Å |
| 685 | V | 60.7 | Low | 56.9 | Low | 129 Ų | 129 | 134.4 Ų | 134.4 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | | | trans | -63.1 | 101.4 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 106.6 | L683 P687 | L683-V685 PolarHBondContact O-N 2.94Å; L683-V685 VanDerWaalsContact O-N 3.13Å; V685-P687 WeakPolarHBondContact O-CD 3.4Å |
| 686 | V | 70.9 | Confident | 56.6 | Low | 121 Ų | 121 | 134.5 Ų | 134.5 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | | | trans | -71.2 | 108.7 | 172.3 | 179.3 | 0 | 0 | 0 | 0 | 105.8 | P684 H688 | P684-V686 VanDerWaalsContact C-N 3.34Å; P684-V686 PolarHBondContact O-N 3.33Å; V686-H688 PolarHBondContact O-N 3.08Å |
| 687 | P | 67.1 | Low | 56.6 | Low | 89 Ų | 89 | 138.1 Ų | 138.1 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | | | trans | -61.8 | 136.9 | -179.1 | 27.3 | -34.3 | 0 | 0 | 0 | 108.6 | V685 | V685-P687 WeakPolarHBondContact O-CD 3.4Š|
| 688 | H | 48.8 | Very low | 56.1 | Low | 140 Ų | 140 | 140.1 Ų | 140.1 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | | | trans | -64.4 | 144.4 | 176.5 | -90.9 | -59.3 | 0 | 0 | 0 | 109.6 | V686 Y690 E691 | V686-H688 PolarHBondContact O-N 3.08Å; H688-Y690 PolarHBondContact O-N 2.84Å; H688-E691 HydrophobicContact CB-CB 4.25Å; H688-E691 PolarHBondContact N-OE2 2.84Å; H688-E691 VanDerWaalsContact O-CB 3.3Å; H688-E691 WeakPolarHBondContact O-CB 3.45Å; H688-E691 PolarHBondContact O-N 2.89Å |
| 689 | P | 72.7 | Confident | 55.8 | Low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 11 | -176.6 | 28.4 | -36.3 | 0 | 0 | 0 | 115.1 | | |
| 690 | Y | 60.7 | Low | 55.3 | Low | 218 Ų | 218 | 136.4 Ų | 136.4 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 2.6 | 173.8 | -63.2 | -78 | 0 | 0 | 0 | 112.6 | H688 | H688-Y690 PolarHBondContact O-N 2.84Š|
| 691 | E | 57.4 | Low | 54.8 | Low | 121 Ų | 121 | 134.5 Ų | 134.5 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | | | trans | -90.9 | 110.7 | -178.9 | -166.9 | 161 | -143.6 | 0 | 0 | 108.9 | H688 | H688-E691 HydrophobicContact CB-CB 4.25Å; H688-E691 PolarHBondContact N-OE2 2.84Å; H688-E691 VanDerWaalsContact O-CB 3.3Å; H688-E691 WeakPolarHBondContact O-CB 3.45Å; H688-E691 PolarHBondContact O-N 2.89Å |
| 692 | S | 60.6 | Low | 54.8 | Low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.1 | -178.5 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | E694 | S692-E694 PolarHBondContact O-N 2.95Š|
| 693 | P | 66.5 | Low | 54.2 | Low | 130 Ų | 130 | 136.2 Ų | 136.2 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122.6 | -175.1 | 25 | -34.2 | 0 | 0 | 0 | 111.8 | | |
| 694 | E | 51.9 | Low | 53.5 | Low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.6 | 174.3 | -171.2 | 172.9 | -139.4 | 0 | 0 | 110 | S692 S696 | S692-E694 PolarHBondContact O-N 2.95Å; E694-S696 PolarHBondContact O-N 2.79Å |
| 695 | P | 58.8 | Low | 52.6 | Low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | | | trans | -74.1 | 111.6 | -175.3 | 28.1 | -33.9 | 0 | 0 | 0 | 111.9 | L697 | P695-L697 PolarHBondContact O-N 3.46Å; P695-L697 VanDerWaalsContact O-N 3.1Å |
| 696 | S | 42.5 | Very low | 51.7 | Low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -74.2 | 95.5 | -178.6 | 45.7 | 0 | 0 | 0 | 0 | 113.1 | E694 H698 | E694-S696 PolarHBondContact O-N 2.79Å; S696-H698 VanDerWaalsContact C-N 3.32Å; S696-H698 PolarHBondContact O-N 3.17Å |
| 697 | L | 43.7 | Very low | 50.3 | Low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | -75.8 | 73.4 | 176.7 | -66 | 177.5 | 0 | 0 | 0 | 112.6 | P695 | P695-L697 PolarHBondContact O-N 3.46Å; P695-L697 VanDerWaalsContact O-N 3.1Å |
| 698 | H | 41.3 | Very low | 49 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | | | trans | -151.7 | 71.5 | 172.8 | -121.6 | -76.6 | 0 | 0 | 0 | 114.6 | S696 | S696-H698 VanDerWaalsContact C-N 3.32Å; S696-H698 PolarHBondContact O-N 3.17Å |
| 699 | A | 41.9 | Very low | 48.7 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -139.1 | 133.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 700 | T | 42.7 | Very low | 47.4 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -96.2 | 133.9 | -168 | 47.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 701 | P | 44.6 | Very low | 46.9 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | -76.5 | 160.8 | 165 | 33.7 | -34.4 | 0 | 0 | 0 | 111.7 | | |
| 702 | K | 50.8 | Low | 46.5 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -137.7 | 104.3 | -165.9 | -172.8 | 176.8 | 178.3 | -176.4 | 0 | 115.3 | | |
| 703 | D | 40.3 | Very low | 46.1 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | | | trans | 75 | 157.3 | 143.6 | -136.1 | -19 | 0 | 0 | 0 | 121.6 | | |
| 704 | A | 40.2 | Very low | 45 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | 66.2 | 139.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 705 | S | 40.7 | Very low | 44.9 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | cis | -167 | 164.2 | -16.6 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 706 | Q | 42 | Very low | 44.4 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | trans | 63.2 | 102.6 | 155.7 | -62.5 | -67 | -6.4 | 0 | 0 | 122.3 | | |
| 707 | S | 41.8 | Very low | 44.5 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | | -178.4 | 93.6 | 119.4 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 708 | S | 38.9 | Very low | 44.9 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 35.9 | 112.9 | 132.4 | 59.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 709 | G | 43.5 | Very low | 45.1 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -171.6 | 35.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 710 | V | 45.4 | Very low | 45.5 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | 44.2 | 106.7 | 164.8 | -170.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 711 | P | 48.5 | Very low | 45.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -101.3 | 161.7 | 180 | 38.8 | -35 | 0 | 0 | 0 | 115.3 | | |
| 712 | R | 50.9 | Low | 46.4 | Very low | 249 Ų | 249 | 139.8 Ų | 139.8 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | | | trans | -146.4 | 78.2 | 170.6 | -156.9 | 168.5 | -173.6 | 146.2 | 0.9 | 117.4 | | |
| 713 | R | 51.3 | Low | 46.2 | Very low | 249 Ų | 249 | 139.8 Ų | 139.8 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | | | trans | 56.6 | 151.7 | 150.7 | -69.9 | -169.9 | 171.5 | -166.7 | -3.5 | 121.6 | | |
| 714 | R | 43.2 | Very low | 46.7 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 56% | 0.558 | 78% | 0.778 | S | S | * | * | | | trans | -106.8 | 163.4 | -177.9 | -55.9 | 173.3 | -179.4 | -103.6 | 12 | 111.6 | H34 | H34-R714 VanDerWaalsContact CB-NH1 3.25Å; H34-R714 PolarHBondContact CD2-NH1 3.08Å |
| 715 | A | 50.1 | Low | 47.2 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -169.1 | 153.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 716 | E | 49.1 | Very low | 47.4 | Very low | 152 Ų | 152 | 144 Ų | 144 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | | | cis | -166.3 | 157.8 | -32.1 | -116.5 | 166.5 | -116.2 | 0 | 0 | 104 | | |
| 717 | N | 43.6 | Very low | 47.8 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | -43.5 | 136.7 | -178.6 | 50.2 | -59.5 | 0 | 0 | 0 | 116.8 | | |
| 718 | S | 51.7 | Low | 48.4 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -141.2 | 145.1 | 159.3 | -169.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 719 | T | 46.6 | Very low | 49 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -88.6 | 156 | -175.9 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 720 | A | 49.4 | Very low | 49.3 | Very low | 88 Ų | 88 | 151.5 Ų | 151.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 91.5 | 129.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 721 | K | 47.4 | Very low | 49.9 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 33.1 | 126.3 | 151.3 | -61.9 | -179.9 | 179.5 | 177.8 | 0 | 119.6 | F723 | K721-F723 HydrophobicContact CD-CD2 4.25Å; K721-F723 HydrophobicContact CG-CD2 4.17Å |
| 722 | P | 58.6 | Low | 49.6 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | | -113.8 | 99.1 | 127.3 | 33.5 | -28.5 | 0 | 0 | 0 | 111.5 | | |
| 723 | F | 46.2 | Very low | 49 | Very low | 191 Ų | 191 | 139 Ų | 139 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | trans | -99.5 | 74.9 | 158.3 | -87.6 | -78.7 | 0 | 0 | 0 | 108.4 | K721 | K721-F723 HydrophobicContact CD-CD2 4.25Å; K721-F723 HydrophobicContact CG-CD2 4.17Å |
| 724 | A | 52.5 | Low | 48.7 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | | | trans | -159.3 | 124.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 725 | R | 48.8 | Very low | 48.6 | Very low | 250 Ų | 250 | 131.8 Ų | 131.8 | 94% | 0.943 | 75% | 0.749 | S | S | * | * | | | trans | 68.7 | 150.1 | 174.6 | -48.7 | 154.2 | 86.5 | 163.8 | 4.3 | 112.5 | | |
| 726 | S | 45.6 | Very low | 48.3 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | cis | -133.1 | 162.9 | 3.4 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | I728 | S726-I728 PolarHBondContact O-N 2.84Š|
| 727 | E | 51.9 | Low | 47.9 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | | | trans | -62.1 | 115.7 | 172.5 | 179.6 | 179.9 | -115.4 | 0 | 0 | 110.8 | R729 | E727-R729 VanDerWaalsContact C-N 3.31Å; E727-R729 HydrophobicContact CG-CG 4.1Å; E727-R729 PolarHBondContact O-N 2.89Å; E727-R729 IonicContact OE2-CZ 3.61Å; E727-R729 IonicContact OE2-NE 3.61Å; E727-R729 PolarHBondContact OE2-NE 3.34Å; E727-R729 IonicContact OE2-NH2 3.57Å; E727-R729 PolarHBondContact OE2-NH2 2.91Å |
| 728 | I | 53.2 | Low | 47.6 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -74.5 | 84.7 | 177.4 | -54.2 | 178.1 | 0 | 0 | 0 | 109.3 | S726 L730 | S726-I728 PolarHBondContact O-N 2.84Å; I728-L730 HydrophobicContact CG2-CD2 4.11Å; I728-L730 PolarHBondContact O-N 3.38Å |
| 729 | R | 50.9 | Low | 47 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -72.2 | 91.8 | 171.1 | -67.8 | -169.7 | -179.9 | -160.8 | -5.2 | 110.2 | E727 P731 | E727-R729 VanDerWaalsContact C-N 3.31Å; E727-R729 HydrophobicContact CG-CG 4.1Å; E727-R729 PolarHBondContact O-N 2.89Å; E727-R729 IonicContact OE2-CZ 3.61Å; E727-R729 IonicContact OE2-NE 3.61Å; E727-R729 PolarHBondContact OE2-NE 3.34Å; E727-R729 IonicContact OE2-NH2 3.57Å; E727-R729 PolarHBondContact OE2-NH2 2.91Å; R729-P731 WeakPolarHBondContact O-CD 3.27Å |
| 730 | L | 51.3 | Low | 46.7 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -60.7 | 128.1 | 168.3 | -63 | 177.1 | 0 | 0 | 0 | 109.9 | I728 G732 | I728-L730 HydrophobicContact CG2-CD2 4.11Å; I728-L730 PolarHBondContact O-N 3.38Å; L730-G732 PolarHBondContact O-N 3.07Å |
| 731 | P | 56.8 | Low | 46.3 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -65.9 | 93.3 | 174.7 | -24.6 | 36.3 | 0 | 0 | 0 | 112.2 | R729 | R729-P731 WeakPolarHBondContact O-CD 3.27Š|
| 732 | G | 42.5 | Very low | 46 | Very low | 72 Ų | 72 | 149.8 Ų | 149.8 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -60.7 | 139.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L730 | L730-G732 PolarHBondContact O-N 3.07Š|
| 733 | A | 38.6 | Very low | 45.1 | Very low | 63 Ų | 63 | 149.9 Ų | 149.9 | 52% | 0.521 | 77% | 0.772 | S | S | . | * | | | trans | -80.3 | 127.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 734 | L | 45.4 | Very low | 45.1 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | -127.5 | 127.1 | 156.1 | -72.3 | 176.4 | 0 | 0 | 0 | 108.3 | | |
| 735 | A | 40.1 | Very low | 44.5 | Very low | 70 Ų | 70 | 147.8 Ų | 147.8 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | | | trans | -90.4 | 158.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 736 | F | 44.4 | Very low | 44.3 | Very low | 216 Ų | 216 | 141.6 Ų | 141.6 | 95% | 0.947 | 76% | 0.763 | S | S | * | * | | | trans | 162 | 146.5 | 135.1 | -85.1 | -57 | 0 | 0 | 0 | 110.9 | | |
| 737 | G | 40.5 | Very low | 44.2 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 89.5 | 90.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 738 | Q | 38 | Very low | 43.9 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | | | trans | -83.1 | 136.9 | 149.5 | -72.2 | -177.4 | -12.8 | 0 | 0 | 110 | | |
| 739 | R | 39.1 | Very low | 43.5 | Very low | 250 Ų | 250 | 153.9 Ų | 153.9 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | | | trans | -156.2 | 165.1 | 146.8 | -136.6 | 172.3 | -177.9 | -106.7 | 1.1 | 110.7 | | |
| 740 | R | 39.9 | Very low | 43.1 | Very low | 215 Ų | 215 | 147.5 Ų | 147.5 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -141 | 162.3 | -159.7 | -159.9 | -169 | -162.8 | -166.8 | 7.2 | 111.1 | | |
| 741 | E | 41.3 | Very low | 43 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | | | trans | 74.8 | 131.9 | 158.2 | -128.4 | 172.6 | 111.3 | 0 | 0 | 115.9 | | |
| 742 | K | 40.8 | Very low | 42.2 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | | -168.7 | -176.7 | 52 | -149.2 | 141.7 | -172.9 | 145 | 0 | 113 | | |
| 743 | T | 39.4 | Very low | 42.2 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -143.9 | -175.2 | -174.4 | 0.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 744 | P | 47.2 | Very low | 42.5 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | cis | -141.2 | -157.1 | -0.9 | 42.6 | -20.9 | 0 | 0 | 0 | 116.3 | | |
| 745 | S | 38.9 | Very low | 42.2 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | 99.4 | 147.1 | 156.3 | 82.8 | 0 | 0 | 0 | 0 | 119 | | |
| 746 | V | 43.9 | Very low | 42.3 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | cis | -159 | 145.9 | -14.2 | 122 | 0 | 0 | 0 | 0 | 112.8 | | |
| 747 | Q | 43.4 | Very low | 42.1 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 19.5 | 135.4 | 158.8 | -52.1 | 177.5 | 62.8 | 0 | 0 | 122 | | |
| 748 | R | 45.9 | Very low | 42.3 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | | -168.2 | 145.4 | 76.3 | -126.7 | -175.6 | -174.2 | -149.1 | 3.3 | 115.7 | | |
| 749 | R | 45.2 | Very low | 42.5 | Very low | 242 Ų | 242 | 149.1 Ų | 149.1 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | trans | -27.9 | 141.1 | 157.4 | 176.4 | -165.6 | -66.7 | -132.3 | 2.5 | 114.9 | | |
| 750 | G | 42.8 | Very low | 42.4 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | cis | 125.9 | 173.4 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 751 | P | 48.5 | Very low | 42.6 | Very low | 138 Ų | 138 | 138 Ų | 138 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | | | cis | -127.7 | 174.1 | -18 | 42.6 | -27.7 | 0 | 0 | 0 | 114.6 | | |
| 752 | G | 39.7 | Very low | 42.4 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | | | trans | 130 | 144.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 753 | G | 42.9 | Very low | 42.5 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 90 | 95.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 754 | E | 45.3 | Very low | 42.8 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | 40.4 | 106.5 | 135.3 | -68.4 | 154.2 | -116 | 0 | 0 | 121.9 | | |
| 755 | N | 39.7 | Very low | 42.7 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | 72.5 | 113.5 | 134.9 | -144.8 | 28.9 | 0 | 0 | 0 | 121.1 | | |
| 756 | P | 42.1 | Very low | 43.2 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | | | trans | -86.7 | -177.6 | 166.1 | 41.6 | -37.2 | 0 | 0 | 0 | 111 | | |
| 757 | D | 38.6 | Very low | 43.7 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | cis | -129.2 | 144.1 | 12.3 | -78.7 | -72.9 | 0 | 0 | 0 | 112.4 | | |
| 758 | A | 44.8 | Very low | 44.1 | Very low | 88 Ų | 88 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -126.3 | 121.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 759 | E | 42.3 | Very low | 44 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | | 93.4 | 163.6 | 105 | -170.6 | 165.5 | -147.5 | 0 | 0 | 112.4 | | |
| 760 | A | 38.2 | Very low | 44.2 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | | | trans | -135.9 | 147.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 761 | Q | 42.8 | Very low | 44.5 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | 154.9 | 117.3 | 130.3 | -82 | 161 | 103.9 | 0 | 0 | 115.9 | | |
| 762 | R | 37.1 | Very low | 44 | Very low | 213 Ų | 213 | 143.1 Ų | 143.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 68.6 | 156.3 | 131.6 | -59 | 174.2 | -179.9 | -92.5 | 0 | 122.3 | | |
| 763 | L | 44.6 | Very low | 44.7 | Very low | 160 Ų | 160 | 145 Ų | 145 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | 76.5 | 156.7 | 166.1 | -61.1 | 121 | 0 | 0 | 0 | 118.3 | | |
| 764 | V | 44.4 | Very low | 44.8 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | cis | 176.7 | 126.8 | -49.7 | 139.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 765 | R | 45.5 | Very low | 44.5 | Very low | 252 Ų | 252 | 144.1 Ų | 144.1 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | | | trans | -177.6 | 179.8 | 146 | -110.4 | 175.5 | 172.6 | 134.1 | -0.4 | 115 | | |
| 766 | D | 50.4 | Low | 44.5 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -147.3 | -172.3 | -160.4 | -150.8 | 14.7 | 0 | 0 | 0 | 107.4 | | |
| 767 | P | 53.7 | Low | 44.3 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 57% | 0.571 | 79% | 0.79 | S | S | * | * | | | cis | -134.9 | -163.1 | -15.9 | 31.6 | -7 | 0 | 0 | 0 | 114 | | |
| 768 | E | 50.8 | Low | 44.4 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | | 149.7 | 142.8 | 129.1 | -81.4 | 170 | -165 | 0 | 0 | 117.8 | | |
| 769 | G | 44.8 | Very low | 44 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | 121.9 | 71.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 770 | R | 49.6 | Very low | 43.7 | Very low | 252 Ų | 252 | 141.3 Ų | 141.3 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | | | trans | 61.2 | 158.5 | 152 | -58.5 | -175.2 | 172.8 | -135.8 | -2.4 | 118.9 | | |
| 771 | T | 48.9 | Very low | 43.6 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | cis | -132.6 | 152.4 | 7.1 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 772 | S | 37.5 | Very low | 43.2 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -106.8 | -155.4 | 170.5 | -35.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 773 | P | 55.3 | Low | 43 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | cis | -88.9 | -151.4 | -2.8 | 40 | -36.4 | 0 | 0 | 0 | 112.4 | | |
| 774 | L | 43.6 | Very low | 42.6 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | cis | -156.3 | 160.9 | 3.8 | -165.9 | 60.9 | 0 | 0 | 0 | 108.3 | | |
| 775 | G | 39.3 | Very low | 42.3 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | cis | -168.8 | -81.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 776 | G | 39.5 | Very low | 41.8 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 176.5 | -172.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 777 | A | 37.9 | Very low | 40.9 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | cis | -170.4 | 167.4 | -13.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 778 | R | 41.9 | Very low | 40.1 | Very low | 232 Ų | 232 | 132.4 Ų | 132.4 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | trans | 67.1 | 163.9 | 155.2 | -72.8 | 156.5 | -175.5 | -116.7 | 1.5 | 117.7 | | |
| 779 | T | 36.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | | | cis | -153.9 | 174 | -37.5 | 18.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 780 | S | 36.2 | Very low | 39 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -68.2 | 167.2 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 781 | T | 34.9 | Very low | 38.5 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | | | trans | 107 | 120.6 | 137.4 | -11.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 782 | Q | 34.7 | Very low | 38.1 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | 73.7 | 150.5 | 139.5 | -100.4 | -179.5 | 5.5 | 0 | 0 | 124.6 | | |
| 783 | C | 33.2 | Very low | 38.6 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 64% | 0.635 | 77% | 0.774 | S | S | * | * | | | trans | 64.7 | 99 | 144.6 | -66.1 | 0 | 0 | 0 | 0 | 122 | | |
| 784 | S | 36.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | | 62.2 | 150.1 | 127.6 | 52.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 785 | P | 38.1 | Very low | 37.9 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -97.3 | 147.8 | -169.7 | 37.6 | -33.8 | 0 | 0 | 0 | 114.1 | | |
| 786 | L | 36.2 | Very low | 38.1 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -151.6 | 151.1 | 153.8 | -157.6 | 59.8 | 0 | 0 | 0 | 111 | | |
| 787 | E | 31.5 | Very low | 37.9 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | trans | 9.1 | 123.4 | 163.7 | -68.7 | 154.1 | -177.9 | 0 | 0 | 119.7 | | |
| 788 | S | 35 | Very low | 37.9 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | | 82.8 | 142.5 | 58.5 | -69.6 | 0 | 0 | 0 | 0 | 115 | | |
| 789 | T | 35.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | 80.6 | 131.7 | 169.8 | -32.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 790 | G | 37 | Very low | 37.8 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | | | cis | 144.8 | 123.7 | -19.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 791 | T | 40.7 | Very low | 37.8 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | trans | -170.1 | 136.7 | 162 | 28.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 792 | R | 40.6 | Very low | 37.7 | Very low | 231 Ų | 231 | 132 Ų | 132 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | cis | -133.9 | 165.7 | -9.8 | -92.3 | -169.1 | 79 | 175.9 | 3.8 | 110.9 | | |
| 793 | P | 46.6 | Very low | 38 | Very low | 99 Ų | 99 | 129 Ų | 129 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | -100.6 | -166.5 | -166.7 | 0.1 | 25.7 | 0 | 0 | 0 | 112.8 | | |
| 794 | P | 44.9 | Very low | 37.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | cis | -125.6 | 164.8 | 10.3 | 45.7 | -31.1 | 0 | 0 | 0 | 114.8 | | |
| 795 | R | 39.9 | Very low | 37.8 | Very low | 226 Ų | 226 | 130.6 Ų | 130.6 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | cis | 69 | 155.4 | 36.9 | -83.9 | -164.5 | -179 | -161 | 3.6 | 114.9 | | |
| 796 | P | 42.5 | Very low | 37.6 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | cis | -128.1 | 178.5 | -27.5 | 38 | -22.2 | 0 | 0 | 0 | 112.7 | | |
| 797 | G | 36.9 | Very low | 37.7 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | 167.6 | 71.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 798 | S | 37.1 | Very low | 37.9 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -103.4 | 173.6 | 166.9 | -28.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 799 | P | 42.7 | Very low | 38.2 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | cis | -133.6 | -162 | -17.2 | 33.1 | -10.9 | 0 | 0 | 0 | 112.6 | | |
| 800 | Q | 33.4 | Very low | 38 | Very low | 182 Ų | 182 | 131.5 Ų | 131.5 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | 85 | 152.1 | 140.2 | -163.2 | 170 | -0.4 | 0 | 0 | 120.2 | | |
| 801 | A | 35.9 | Very low | 38.3 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | 72.1 | 132.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 802 | C | 31.9 | Very low | 38.3 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -70.4 | 152.2 | 156.2 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 803 | P | 42.7 | Very low | 38.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | | -150.2 | 156.2 | 93.7 | 39.2 | -23.2 | 0 | 0 | 0 | 116.9 | | |
| 804 | N | 30.8 | Very low | 38.2 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | | 12.1 | 152.8 | 123.4 | -37.6 | -7 | 0 | 0 | 0 | 119.6 | | |
| 805 | S | 33.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | 88.5 | 128.9 | 176.7 | -37.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 806 | S | 34 | Very low | 37.6 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | cis | 69.2 | 155 | 39.6 | 95.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 807 | L | 37.9 | Very low | 37.6 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | 83.4 | 141.6 | -149.6 | -58.9 | 169 | 0 | 0 | 0 | 111.9 | | |
| 808 | R | 35.7 | Very low | 37.8 | Very low | 234 Ų | 234 | 133 Ų | 133 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | cis | -169.3 | 123.3 | -4.4 | 161.7 | -166.3 | -150 | -177.6 | 8.2 | 110.8 | | |
| 809 | A | 41.6 | Very low | 37.8 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -171.9 | 124.5 | 134.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 810 | A | 32.4 | Very low | 37.8 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | trans | -144.8 | 175.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | | |
| 811 | P | 42.8 | Very low | 38 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | cis | -138 | -163.9 | 9.5 | 43 | -23.6 | 0 | 0 | 0 | 114.4 | | |
| 812 | E | 39.9 | Very low | 38.1 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | 45.8 | 117.1 | 147.7 | -70.8 | 159.3 | 122 | 0 | 0 | 120.8 | | |
| 813 | L | 43.4 | Very low | 38.3 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | | | | -164 | 154.8 | 97.5 | -101 | 165.7 | 0 | 0 | 0 | 113.7 | | |
| 814 | E | 41.7 | Very low | 38.3 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -27.5 | 166.9 | 158.9 | -70.8 | -163.1 | 77.3 | 0 | 0 | 119.5 | | |
| 815 | T | 35.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | | | cis | -166.9 | 149 | -10.4 | -94.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 816 | P | 37.3 | Very low | 38.5 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -97.6 | 146.4 | -162.8 | 35.9 | -36 | 0 | 0 | 0 | 116.6 | | |
| 817 | L | 41.8 | Very low | 38.9 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | trans | -161.1 | 158 | 156.5 | -146.8 | 70.2 | 0 | 0 | 0 | 114.1 | | |
| 818 | V | 42.7 | Very low | 38.9 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | 73.2 | 116.8 | 164.2 | -168.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 819 | A | 37 | Very low | 38.7 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | | | trans | -108.5 | 173.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 820 | P | 41.8 | Very low | 39.1 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | cis | -146.7 | -150.5 | 24 | 43.9 | -21.3 | 0 | 0 | 0 | 115.3 | | |
| 821 | A | 38.4 | Very low | 39.4 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | trans | 88.4 | 75.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 822 | T | 36.7 | Very low | 38.8 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | | 44.6 | 91.5 | 122.2 | -44.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 823 | A | 37.5 | Very low | 39.4 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -163.3 | 114.3 | 138.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 824 | V | 42.3 | Very low | 38.8 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -127.5 | 113.6 | 170.7 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 825 | Q | 41 | Very low | 39.1 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -85.6 | 154.8 | 166 | -61.7 | -177.6 | 57.6 | 0 | 0 | 109.5 | | |
| 826 | A | 28 | Very low | 39.2 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -107.5 | 118.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 827 | P | 41.6 | Very low | 39.1 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | -90.7 | 119.9 | 159 | 2.7 | 17.6 | 0 | 0 | 0 | 108.9 | | |
| 828 | L | 38.8 | Very low | 39.1 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | | 93.9 | 143.5 | 80 | -81.8 | 168.8 | 0 | 0 | 0 | 113.4 | | |
| 829 | L | 30.5 | Very low | 38.8 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 73% | 0.728 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 143.2 | -167.5 | -176.5 | 76.9 | 0 | 0 | 0 | 111.5 | | |
| 830 | P | 49.8 | Very low | 38.8 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 134.9 | 160.3 | -7 | 26.8 | 0 | 0 | 0 | 112.4 | | |
| 831 | D | 38.9 | Very low | 38.7 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 163 | -172 | -78.2 | -62.2 | 0 | 0 | 0 | 116.5 | | |
| 832 | H | 30.6 | Very low | 39.3 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 142.5 | 168.9 | -83.3 | -85.4 | 0 | 0 | 0 | 113 | | |
| 833 | P | 51.9 | Low | 39.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 137.4 | 152 | 33.9 | -28.8 | 0 | 0 | 0 | 111.6 | | |
| 834 | A | 32 | Very low | 39.7 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 167 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 835 | T | 46.5 | Very low | 39.3 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -147.2 | 141.8 | 169.8 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 836 | A | 38.5 | Very low | 39 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | -50.7 | 139.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 837 | A | 35.7 | Very low | 39.5 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | cis | 86.8 | 116.3 | 43.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 838 | R | 40.6 | Very low | 39.1 | Very low | 258 Ų | 258 | 134.8 Ų | 134.8 | 97% | 0.974 | 82% | 0.821 | S | S | * | * | | | trans | -154.5 | 143.4 | 155.2 | -145.6 | 171.9 | -172.1 | 121.4 | 1.3 | 109.8 | | |
| 839 | A | 36 | Very low | 39.2 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -99.9 | 153.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 840 | A | 37.3 | Very low | 40.1 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | trans | -140.3 | 133.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 841 | A | 40.4 | Very low | 39.9 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -95 | 139.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 842 | P | 51 | Low | 40.3 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 140 | 171.3 | 32.3 | -33.1 | 0 | 0 | 0 | 111.9 | | |
| 843 | F | 43.9 | Very low | 40.6 | Very low | 199 Ų | 199 | 128.3 Ų | 128.3 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 138.3 | 178.3 | -72 | -97.4 | 0 | 0 | 0 | 112.5 | | |
| 844 | P | 38.2 | Very low | 39.9 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 127.5 | 169.6 | 34.3 | -30.2 | 0 | 0 | 0 | 112.4 | | |
| 845 | R | 34.1 | Very low | 40.1 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | | | trans | -161.3 | 143.8 | 160.4 | -144.9 | 173 | 180 | 94.8 | -6.8 | 114 | | |
| 846 | A | 36 | Very low | 39.8 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | 63.2 | 110.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 847 | A | 36.7 | Very low | 39.7 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | -108.4 | 114.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 848 | S | 34.8 | Very low | 39.6 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -170 | 43.5 | 165.7 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 849 | A | 40.5 | Very low | 39.5 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -150.5 | 140.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 850 | P | 49 | Very low | 39.5 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 147.3 | 174.4 | 30.7 | -34.5 | 0 | 0 | 0 | 111.3 | T852 | P850-T852 PolarHBondContact O-N 2.68Š|
| 851 | P | 45.5 | Very low | 39.3 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 131.7 | -179.3 | 28.1 | -33.7 | 0 | 0 | 0 | 111.2 | | |
| 852 | T | 46.3 | Very low | 38.8 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 116.1 | 165.6 | -58.7 | 0 | 0 | 0 | 0 | 108.9 | P850 R854 | P850-T852 PolarHBondContact O-N 2.68Å; T852-R854 PolarHBondContact O-N 2.83Å |
| 853 | D | 38.6 | Very low | 37.9 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 130.2 | -173.2 | -132.7 | -27.1 | 0 | 0 | 0 | 112.1 | | |
| 854 | R | 37.3 | Very low | 37.4 | Very low | 221 Ų | 221 | 139.6 Ų | 139.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -157.5 | 100.3 | 177.7 | -87 | -165.8 | 174.1 | -169 | 0.3 | 110.7 | T852 | T852-R854 PolarHBondContact O-N 2.83Š|
| 855 | L | 36 | Very low | 37.4 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -135.7 | 143 | 148.2 | -75.5 | -179.4 | 0 | 0 | 0 | 110.3 | | |
| 856 | P | 39.9 | Very low | 37.4 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | | | trans | -113.6 | -175.1 | -175.5 | 43.6 | -35.2 | 0 | 0 | 0 | 112.5 | | |
| 857 | P | 36.6 | Very low | 37.4 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | trans | -106.3 | 151.5 | 139 | 35 | -30 | 0 | 0 | 0 | 111.2 | | |
| 858 | A | 32.7 | Very low | 37.8 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -94.9 | 144.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 859 | S | 38.4 | Very low | 38.6 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -164.7 | 140.6 | 145.7 | -85.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 860 | S | 36.9 | Very low | 39.3 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | 41.7 | 112.4 | 157.8 | 59.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 861 | L | 31.6 | Very low | 39.9 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 94% | 0.937 | 78% | 0.784 | S | S | * | * | | | trans | 24.9 | 112 | 141.6 | -65.3 | 84.1 | 0 | 0 | 0 | 118.8 | | |
| 862 | G | 30.5 | Very low | 41.2 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | trans | -177 | 97.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R864 | G862-R864 PolarHBondContact O-N 2.86Š|
| 863 | R | 31.6 | Very low | 43 | Very low | 257 Ų | 257 | 126.3 Ų | 126.3 | 97% | 0.97 | 75% | 0.747 | S | S | * | * | | | trans | -59.6 | 90.2 | 173.5 | 177 | -173.4 | 177.7 | -122 | 9.2 | 111.6 | | |
| 864 | R | 34.2 | Very low | 45.3 | Very low | 241 Ų | 241 | 122.8 Ų | 122.8 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | | | trans | -89.2 | 123.2 | -176.3 | -154.1 | 170.7 | -166.2 | 163 | 5.4 | 112.6 | G862 | G862-R864 PolarHBondContact O-N 2.86Š|
| 865 | P | 37.4 | Very low | 47.7 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | | | trans | -80.5 | 165.4 | -178 | 32.8 | -36.2 | 0 | 0 | 0 | 113.2 | G867 | P865-G867 PolarHBondContact O-N 3.15Š|
| 866 | P | 33.9 | Very low | 50.3 | Low | 144 Ų | 144 | 113.4 Ų | 113.4 | 94% | 0.935 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -71.4 | 90.6 | 177.6 | 30 | -35.4 | 0 | 0 | 0 | 111.5 | | |
| 867 | G | 36.4 | Very low | 52.7 | Low | 64 Ų | 64 | 110.2 Ų | 110.2 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | | | trans | -163.2 | 63.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | P865 A869 | P865-G867 PolarHBondContact O-N 3.15Å; G867-A869 PolarHBondContact O-N 2.91Å |
| 868 | A | 45.5 | Very low | 55.3 | Low | 107 Ų | 107 | 110.1 Ų | 110.1 | 88% | 0.884 | 68% | 0.677 | S | S | * | * | | | trans | -71.1 | 90.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 869 | A | 50.9 | Low | 57.9 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | | | trans | -58.4 | 150.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110 | G867 A871 | G867-A869 PolarHBondContact O-N 2.91Å; A869-A871 PolarHBondContact O-N 2.81Å |
| 870 | P | 55.2 | Low | 60.3 | Low | 71 Ų | 71 | 111.5 Ų | 111.5 | 46% | 0.461 | 66% | 0.661 | S | S | . | * | | | trans | -62.1 | 135.7 | 178 | 27.9 | -34.9 | 0 | 0 | 0 | 110.4 | G872 E887 | P870-G872 PolarHBondContact O-N 3.35Å; P870-E887 HydrophobicContact CB-CG 3.88Å; P870-E887 VanDerWaalsContact CB-OE1 3.22Å; P870-E887 WeakPolarHBondContact CB-OE1 3.32Å; P870-E887 HydrophobicContact CG-CG 4.28Å |
| 871 | A | 61.8 | Low | 63 | Low | 82 Ų | 82 | 108.5 Ų | 108.5 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | | | trans | -78.4 | 65 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A869 A888 | A869-A871 PolarHBondContact O-N 2.81Å; A871-A888 WeakPolarHBondContact O-CB 3.28Å |
| 872 | G | 73.6 | Confident | 65.7 | Low | 20 Ų | 20 | 107.6 Ų | 107.6 | 21% | 0.206 | 63% | 0.63 | C | S | . | * | | | trans | -69.4 | 149 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P870 V886 | P870-G872 PolarHBondContact O-N 3.35Å; G872-V886 CarbonylContact C-O 3.55Å; G872-V886 WeakPolarHBondContact CA-O 3.48Å |
| 873 | K | 83 | Confident | 68.7 | Low | 155 Ų | 155 | 112.7 Ų | 112.7 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 142.4 | 173.6 | -65.5 | -175.9 | 179.7 | -177.8 | 0 | 108.8 | V886 | K873-V886 PolarHBondContact N-O 2.98Å; K873-V886 PolarHBondContact O-N 2.92Å |
| 874 | V | 87 | Confident | 71.5 | Confident | 87 Ų | 87 | 106 Ų | 106 | 53% | 0.527 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.2 | 163.7 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | Y883 Y884 F885 | V874-Y883 HydrophobicContact CG1-CD1 3.82Å; V874-Y883 HydrophobicContact CG1-CG 4.41Å; V874-Y884 WeakPolarHBondContact CA-O 3.47Å; V874-F885 HydrophobicContact CG2-CD2 4Å |
| 875 | L | 88.9 | Confident | 74.2 | Confident | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 142.2 | 166.3 | -58.2 | -176.3 | 0 | 0 | 0 | 107.9 | Y884 V886 | L875-Y884 PolarHBondContact N-O 2.83Å; L875-Y884 PolarHBondContact O-N 2.81Å; L875-V886 HydrophobicContact CD1-CG2 3.84Å; L875-V886 HydrophobicContact CG-CG2 4.12Å |
| 876 | V | 89.6 | Confident | 76.5 | Confident | 76 Ų | 76 | 99.5 Ų | 99.5 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.9 | 165.9 | -171.9 | 0 | 0 | 0 | 0 | 106.4 | R882 Y883 | V876-R882 WeakPolarHBondContact CA-O 3.18Å; V876-Y883 HydrophobicContact CG2-CD1 3.66Å; V876-Y883 HydrophobicContact CG2-CE1 3.49Å; V876-Y883 VanDerWaalsContact CG2-CE1 3.49Å; V876-Y883 HydrophobicContact CG2-CG 4.33Å |
| 877 | D | 91.5 | Very high | 78.9 | Confident | 43 Ų | 43 | 96.5 Ų | 96.5 | 23% | 0.23 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -71.1 | 120.7 | 168.2 | 166.7 | 25.5 | 0 | 0 | 0 | 108.9 | E879 S880 G881 R882 Y884 | D877-E879 VanDerWaalsContact C-N 3.26Å; D877-E879 PolarHBondContact O-N 3.31Å; D877-E879 PolarHBondContact OD1-N 3.35Å; D877-S880 WeakPolarHBondContact OD2-CB 3.47Å; D877-S880 PolarHBondContact OD2-N 3.19Å; D877-S880 PolarHBondContact OD2-OG 2.87Å; D877-G881 WeakPolarHBondContact O-CA 3.05Å; D877-G881 PolarHBondContact O-N 3.39Å; D877-R882 PolarHBondContact N-O 3.3Å; D877-Y884 HydrophobicContact CB-CD2 4Å; D877-Y884 HydrophobicContact CB-CE2 3.69Å |
| 878 | P | 91.7 | Very high | 80.7 | Confident | 123 Ų | 123 | 95.8 Ų | 95.8 | 80% | 0.799 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.2 | -179.9 | 29.9 | -36.2 | 0 | 0 | 0 | 113.6 | | |
| 879 | E | 86 | Confident | 81.7 | Confident | 184 Ų | 184 | 96.7 Ų | 96.7 | 86% | 0.86 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -45.7 | -177.2 | -63.2 | -172.6 | 173.7 | 0 | 0 | 112.1 | D877 | D877-E879 VanDerWaalsContact C-N 3.26Å; D877-E879 PolarHBondContact O-N 3.31Å; D877-E879 PolarHBondContact OD1-N 3.35Å |
| 880 | S | 89.9 | Confident | 82.5 | Confident | 55 Ų | 55 | 98.2 Ų | 98.2 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.9 | 178 | 73.4 | 0 | 0 | 0 | 0 | 115.2 | D877 R882 | D877-S880 WeakPolarHBondContact OD2-CB 3.47Å; D877-S880 PolarHBondContact OD2-N 3.19Å; D877-S880 PolarHBondContact OD2-OG 2.87Å; S880-R882 PolarHBondContact O-N 2.85Å; S880-R882 WeakPolarHBondContact OG-CB 3.4Å; S880-R882 WeakPolarHBondContact OG-CD 3.47Å; S880-R882 VanDerWaalsContact OG-CG 3.27Å; S880-R882 WeakPolarHBondContact OG-CG 3.4Å; S880-R882 PolarHBondContact OG-N 2.95Å |
| 881 | G | 92.5 | Very high | 83.2 | Confident | 42 Ų | 42 | 103 Ų | 103 | 43% | 0.433 | 54% | 0.541 | S | S | . | . | | | trans | 67.1 | 8.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D877 | D877-G881 WeakPolarHBondContact O-CA 3.05Å; D877-G881 PolarHBondContact O-N 3.39Å |
| 882 | R | 89.7 | Confident | 83.8 | Confident | 161 Ų | 161 | 102.6 Ų | 102.6 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | | | trans | -84.3 | 145.1 | -172.8 | -66.7 | 174.6 | -178.2 | -164.1 | -1.4 | 112.1 | V876 D877 S880 Y884 | V876-R882 WeakPolarHBondContact CA-O 3.18Å; D877-R882 PolarHBondContact N-O 3.3Å; S880-R882 PolarHBondContact O-N 2.85Å; S880-R882 WeakPolarHBondContact OG-CB 3.4Å; S880-R882 WeakPolarHBondContact OG-CD 3.47Å; S880-R882 VanDerWaalsContact OG-CG 3.27Å; S880-R882 WeakPolarHBondContact OG-CG 3.4Å; S880-R882 PolarHBondContact OG-N 2.95Å; R882-Y884 HydrophobicContact CB-CD2 4.32Å; R882-Y884 HydrophobicContact CB-CE2 3.59Å; R882-Y884 WeakPolarHBondContact O-CD2 3.46Å |
| 883 | Y | 92.7 | Very high | 83.8 | Confident | 179 Ų | 179 | 109 Ų | 109 | 70% | 0.702 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 114.1 | -178.5 | -67.3 | -104.4 | 0 | 0 | 0 | 110.3 | V874 V876 | V874-Y883 HydrophobicContact CG1-CD1 3.82Å; V874-Y883 HydrophobicContact CG1-CG 4.41Å; V876-Y883 HydrophobicContact CG2-CD1 3.66Å; V876-Y883 HydrophobicContact CG2-CE1 3.49Å; V876-Y883 VanDerWaalsContact CG2-CE1 3.49Å; V876-Y883 HydrophobicContact CG2-CG 4.33Å |
| 884 | Y | 90.9 | Very high | 83.8 | Confident | 116 Ų | 116 | 106.5 Ų | 106.5 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.9 | -179.5 | -67.4 | -85.9 | 0 | 0 | 0 | 110.9 | V874 L875 D877 R882 V886 | V874-Y884 WeakPolarHBondContact CA-O 3.47Å; L875-Y884 PolarHBondContact N-O 2.83Å; L875-Y884 PolarHBondContact O-N 2.81Å; D877-Y884 HydrophobicContact CB-CD2 4Å; D877-Y884 HydrophobicContact CB-CE2 3.69Å; R882-Y884 HydrophobicContact CB-CD2 4.32Å; R882-Y884 HydrophobicContact CB-CE2 3.59Å; R882-Y884 WeakPolarHBondContact O-CD2 3.46Å; Y884-V886 PolarHBondContact O-N 2.86Å |
| 885 | F | 90.4 | Very high | 83.8 | Confident | 135 Ų | 135 | 109.5 Ų | 109.5 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.7 | 173.5 | -174.9 | -89.5 | 0 | 0 | 0 | 110.4 | V874 E887 | V874-F885 HydrophobicContact CG2-CD2 4Å; F885-E887 HydrophobicContact CE1-CB 4.49Å |
| 886 | V | 86.3 | Confident | 83.9 | Confident | 70 Ų | 70 | 109.7 Ų | 109.7 | 42% | 0.424 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 109.6 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | G872 K873 L875 Y884 A888 | G872-V886 CarbonylContact C-O 3.55Å; G872-V886 WeakPolarHBondContact CA-O 3.48Å; K873-V886 PolarHBondContact N-O 2.98Å; K873-V886 PolarHBondContact O-N 2.92Å; L875-V886 HydrophobicContact CD1-CG2 3.84Å; L875-V886 HydrophobicContact CG-CG2 4.12Å; Y884-V886 PolarHBondContact O-N 2.86Å; V886-A888 PolarHBondContact O-N 2.89Å |
| 887 | E | 82.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 109.5 Ų | 109.5 | 37% | 0.374 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 128 | 171.5 | -171 | 171.5 | 162.9 | 0 | 0 | 109.9 | P870 F885 | P870-E887 HydrophobicContact CB-CG 3.88Å; P870-E887 VanDerWaalsContact CB-OE1 3.22Å; P870-E887 WeakPolarHBondContact CB-OE1 3.32Å; P870-E887 HydrophobicContact CG-CG 4.28Å; F885-E887 HydrophobicContact CE1-CB 4.49Å |
| 888 | A | 74.2 | Confident | 84.2 | Confident | 50 Ų | 50 | 112.9 Ų | 112.9 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 133.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A871 V886 R890 | A871-A888 WeakPolarHBondContact O-CB 3.28Å; V886-A888 PolarHBondContact O-N 2.89Å; A888-R890 PolarHBondContact O-N 2.99Å; A888-R890 VanDerWaalsContact O-N 3.15Å |
| 889 | P | 67.8 | Low | 84.3 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 81% | 0.812 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 121 | 178.9 | -29.6 | 36 | 0 | 0 | 0 | 112.4 | Q891 | P889-Q891 PolarHBondContact O-N 2.85Š|
| 890 | R | 67 | Low | 84.7 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | | | trans | -75.4 | 111.9 | -176.9 | -52 | -177.4 | 85.6 | -133.7 | 1.2 | 108.2 | A888 P912 S913 | A888-R890 PolarHBondContact O-N 2.99Å; A888-R890 VanDerWaalsContact O-N 3.15Å; R890-P912 HydrophobicContact CB-CB 3.68Å; R890-P912 HydrophobicContact CB-CG 3.99Å; R890-P912 WeakPolarHBondContact O-CG 3.14Å; R890-S913 PolarHBondContact NH1-O 3.33Å; R890-S913 VanDerWaalsContact NH1-O 3.08Å |
| 891 | Q | 70.8 | Confident | 84.7 | Confident | 170 Ų | 170 | 111.6 Ų | 111.6 | 79% | 0.794 | 54% | 0.543 | S | S | * | . | | | trans | -51.9 | 136.8 | -178.7 | -72.1 | 176.7 | -33.4 | 0 | 0 | 111.7 | P889 | P889-Q891 PolarHBondContact O-N 2.85Š|
| 892 | P | 73 | Confident | 84.7 | Confident | 75 Ų | 75 | 112.5 Ų | 112.5 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | | | trans | -62 | 148.8 | 173.7 | 28.5 | -34.8 | 0 | 0 | 0 | 110.1 | L909 | P892-L909 HydrophobicContact CB-CD2 4.09Å; P892-L909 HydrophobicContact CG-CD2 3.89Å |
| 893 | R | 73.8 | Confident | 84.9 | Confident | 155 Ų | 155 | 107 Ų | 107 | 59% | 0.585 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 102.6 | -177.8 | -79.1 | 179.2 | 158 | 177.6 | -9.6 | 110 | R895 L910 S913 | R893-R895 PolarHBondContact O-N 3.37Å; R893-L910 PolarHBondContact N-O 3.46Å; R893-L910 WeakPolarHBondContact O-CB 3.27Å; R893-L910 PolarHBondContact O-N 3.42Å; R893-S913 PolarHBondContact NH1-OG 3.2Å |
| 894 | L | 82.6 | Confident | 84.8 | Confident | 102 Ų | 102 | 104.9 Ų | 104.9 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 127.6 | 159.7 | -74 | 163.2 | 0 | 0 | 0 | 109.1 | E907 V908 L909 | L894-E907 HydrophobicContact CD2-CB 4.21Å; L894-V908 WeakPolarHBondContact CA-O 3.45Å; L894-L909 HydrophobicContact CD2-CD2 3.74Å; L894-L909 HydrophobicContact CD2-CG 3.68Å; L894-L909 HydrophobicContact CG-CD2 3.89Å; L894-L909 HydrophobicContact CG-CG 4.37Å |
| 895 | R | 86.9 | Confident | 85 | Confident | 150 Ų | 150 | 106.9 Ų | 106.9 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.3 | 166.8 | -67.7 | -174.1 | 66.2 | -156.8 | 0.2 | 109 | R893 L897 V908 L910 | R893-R895 PolarHBondContact O-N 3.37Å; R895-L897 PolarHBondContact O-N 3.29Å; R895-V908 PolarHBondContact N-O 3.02Å; R895-V908 PolarHBondContact O-N 3.09Å; R895-L910 HydrophobicContact CB-CD1 3.97Å; R895-L910 HydrophobicContact CG-CD1 3.99Å |
| 896 | L | 92.7 | Very high | 85.1 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 121.1 | 170.1 | -161.7 | 72.1 | 0 | 0 | 0 | 109.2 | Y905 V906 E907 | L896-Y905 HydrophobicContact CD2-CD1 4.02Å; L896-Y905 HydrophobicContact CD2-CG 4.05Å; L896-Y905 HydrophobicContact CG-CD1 3.98Å; L896-Y905 HydrophobicContact CG-CG 4.2Å; L896-V906 WeakPolarHBondContact CA-O 3.45Å; L896-E907 HydrophobicContact CD1-CG 3.55Å |
| 897 | L | 92.4 | Very high | 85.4 | Confident | 72 Ų | 72 | 106.4 Ų | 106.4 | 38% | 0.377 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.7 | 178 | -62.8 | -178.8 | 0 | 0 | 0 | 109.3 | R895 Y905 V906 V908 | R895-L897 PolarHBondContact O-N 3.29Å; L897-Y905 CarbonylContact O-C 3.49Å; L897-Y905 WeakPolarHBondContact O-CA 3.22Å; L897-V906 PolarHBondContact N-O 3.24Å; L897-V906 PolarHBondContact O-N 3.29Å; L897-V908 HydrophobicContact CD1-CB 4.14Å; L897-V908 HydrophobicContact CD1-CG2 3.97Å; L897-V908 HydrophobicContact CG-CG2 4.4Å |
| 898 | F | 93.5 | Very high | 85.8 | Confident | 114 Ų | 114 | 105.1 Ų | 105.1 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 121.6 | 174.7 | -177.2 | -97.3 | 0 | 0 | 0 | 109.6 | P900 G903 Y905 | F898-P900 HydrophobicContact CE1-CB 4.36Å; F898-G903 VanDerWaalsContact CE2-O 3.27Å; F898-G903 WeakPolarHBondContact CE2-O 3.41Å; F898-Y905 HydrophobicContact CB-CD1 4.04Å; F898-Y905 HydrophobicContact CB-CE1 3.76Å; F898-Y905 HydrophobicContact CD2-CD1 4.36Å; F898-Y905 HydrophobicContact CD2-CD2 4.33Å; F898-Y905 HydrophobicContact CD2-CE1 4.13Å; F898-Y905 HydrophobicContact CD2-CE2 4.09Å; F898-Y905 HydrophobicContact CD2-CG 4.46Å; F898-Y905 AromaticContact CD2-CZ 3.99Å; F898-Y905 HydrophobicContact CG-CE1 4.44Å |
| 899 | D | 94.6 | Very high | 86.4 | Confident | 52 Ų | 52 | 108.3 Ų | 108.3 | 28% | 0.278 | 55% | 0.547 | S | S | . | . | | | trans | -92.1 | 119.3 | 171.5 | 167.4 | 35.6 | 0 | 0 | 0 | 109.8 | E901 S902 G903 Q904 V906 | D899-E901 VanDerWaalsContact C-N 3.3Å; D899-E901 PolarHBondContact O-N 2.88Å; D899-E901 PolarHBondContact OD1-N 2.73Å; D899-S902 WeakPolarHBondContact OD2-CB 3.45Å; D899-S902 PolarHBondContact OD2-N 2.84Å; D899-S902 PolarHBondContact OD2-OG 2.81Å; D899-G903 VanDerWaalsContact O-CA 3.28Å; D899-G903 WeakPolarHBondContact O-CA 3.17Å; D899-G903 PolarHBondContact O-N 2.73Å; D899-Q904 PolarHBondContact N-O 2.73Å; D899-V906 HydrophobicContact CB-CG2 3.93Å |
| 900 | P | 93.4 | Very high | 87 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 73% | 0.727 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.2 | 178.5 | 32.7 | -36.9 | 0 | 0 | 0 | 114.5 | F898 | F898-P900 HydrophobicContact CE1-CB 4.36Š|
| 901 | E | 91.6 | Very high | 87.3 | Confident | 171 Ų | 171 | 104.5 Ų | 104.5 | 80% | 0.799 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -51.3 | 177.8 | -168.9 | 176.6 | 147.4 | 0 | 0 | 111.5 | D899 | D899-E901 VanDerWaalsContact C-N 3.3Å; D899-E901 PolarHBondContact O-N 2.88Å; D899-E901 PolarHBondContact OD1-N 2.73Å |
| 902 | S | 90.7 | Very high | 87.2 | Confident | 61 Ų | 61 | 98.9 Ų | 98.9 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -21.8 | 172.7 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | D899 Q904 | D899-S902 WeakPolarHBondContact OD2-CB 3.45Å; D899-S902 PolarHBondContact OD2-N 2.84Å; D899-S902 PolarHBondContact OD2-OG 2.81Å; S902-Q904 PolarHBondContact O-N 3.34Å; S902-Q904 PolarHBondContact OG-N 3.39Å |
| 903 | G | 93.8 | Very high | 86.6 | Confident | 45 Ų | 45 | 98 Ų | 98 | 46% | 0.464 | 51% | 0.507 | S | S | . | . | | | trans | 69.7 | 12.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F898 D899 | F898-G903 VanDerWaalsContact CE2-O 3.27Å; F898-G903 WeakPolarHBondContact CE2-O 3.41Å; D899-G903 VanDerWaalsContact O-CA 3.28Å; D899-G903 WeakPolarHBondContact O-CA 3.17Å; D899-G903 PolarHBondContact O-N 2.73Å |
| 904 | Q | 91.8 | Very high | 85.9 | Confident | 134 Ų | 134 | 96.2 Ų | 96.2 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -106.4 | 174.1 | -176.7 | -61.6 | -171.2 | 1.5 | 0 | 0 | 112.5 | D899 S902 | D899-Q904 PolarHBondContact N-O 2.73Å; S902-Q904 PolarHBondContact O-N 3.34Å; S902-Q904 PolarHBondContact OG-N 3.39Å |
| 905 | Y | 95 | Very high | 84.3 | Confident | 159 Ų | 159 | 93.7 Ų | 93.7 | 62% | 0.624 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.9 | 175.2 | -84.4 | -73.4 | 0 | 0 | 0 | 109.6 | L896 L897 F898 | L896-Y905 HydrophobicContact CD2-CD1 4.02Å; L896-Y905 HydrophobicContact CD2-CG 4.05Å; L896-Y905 HydrophobicContact CG-CD1 3.98Å; L896-Y905 HydrophobicContact CG-CG 4.2Å; L897-Y905 CarbonylContact O-C 3.49Å; L897-Y905 WeakPolarHBondContact O-CA 3.22Å; F898-Y905 HydrophobicContact CB-CD1 4.04Å; F898-Y905 HydrophobicContact CB-CE1 3.76Å; F898-Y905 HydrophobicContact CD2-CD1 4.36Å; F898-Y905 HydrophobicContact CD2-CD2 4.33Å; F898-Y905 HydrophobicContact CD2-CE1 4.13Å; F898-Y905 HydrophobicContact CD2-CE2 4.09Å; F898-Y905 HydrophobicContact CD2-CG 4.46Å; F898-Y905 AromaticContact CD2-CZ 3.99Å; F898-Y905 HydrophobicContact CG-CE1 4.44Å |
| 906 | V | 93.1 | Very high | 82.5 | Confident | 67 Ų | 67 | 92.4 Ų | 92.4 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.3 | -175.8 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | L896 L897 D899 V908 | L896-V906 WeakPolarHBondContact CA-O 3.45Å; L897-V906 PolarHBondContact N-O 3.24Å; L897-V906 PolarHBondContact O-N 3.29Å; D899-V906 HydrophobicContact CB-CG2 3.93Å; V906-V908 HydrophobicContact CG1-CG2 4.49Å |
| 907 | E | 92.3 | Very high | 80.2 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.1 | 173.9 | -70 | -159.8 | 176.1 | 0 | 0 | 111.7 | L894 L896 | L894-E907 HydrophobicContact CD2-CB 4.21Å; L896-E907 HydrophobicContact CD1-CG 3.55Å |
| 908 | V | 90.4 | Very high | 77.7 | Confident | 53 Ų | 53 | 98.9 Ų | 98.9 | 32% | 0.321 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121 | 179.7 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | L894 R895 L897 V906 L910 | L894-V908 WeakPolarHBondContact CA-O 3.45Å; R895-V908 PolarHBondContact N-O 3.02Å; R895-V908 PolarHBondContact O-N 3.09Å; L897-V908 HydrophobicContact CD1-CB 4.14Å; L897-V908 HydrophobicContact CD1-CG2 3.97Å; L897-V908 HydrophobicContact CG-CG2 4.4Å; V906-V908 HydrophobicContact CG1-CG2 4.49Å; V908-L910 HydrophobicContact CG1-CD2 4.4Å; V908-L910 HydrophobicContact CG1-CG 4.27Å; V908-L910 PolarHBondContact O-N 3.1Å |
| 909 | L | 86.7 | Confident | 75.1 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 101.1 | 170.4 | -77.1 | 154.1 | 0 | 0 | 0 | 110 | P892 L894 | P892-L909 HydrophobicContact CB-CD2 4.09Å; P892-L909 HydrophobicContact CG-CD2 3.89Å; L894-L909 HydrophobicContact CD2-CD2 3.74Å; L894-L909 HydrophobicContact CD2-CG 3.68Å; L894-L909 HydrophobicContact CG-CD2 3.89Å; L894-L909 HydrophobicContact CG-CG 4.37Å |
| 910 | L | 80.5 | Confident | 72.5 | Confident | 58 Ų | 58 | 104 Ų | 104 | 30% | 0.304 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 142.1 | 175.5 | -71.6 | 160.9 | 0 | 0 | 0 | 111.4 | R893 R895 V908 | R893-L910 PolarHBondContact N-O 3.46Å; R893-L910 WeakPolarHBondContact O-CB 3.27Å; R893-L910 PolarHBondContact O-N 3.42Å; R895-L910 HydrophobicContact CB-CD1 3.97Å; R895-L910 HydrophobicContact CG-CD1 3.99Å; V908-L910 HydrophobicContact CG1-CD2 4.4Å; V908-L910 HydrophobicContact CG1-CG 4.27Å; V908-L910 PolarHBondContact O-N 3.1Å |
| 911 | P | 74.1 | Confident | 69.7 | Low | 103 Ų | 103 | 110.3 Ų | 110.3 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | | | trans | -59.8 | 149.8 | 176.5 | 25.3 | -34.1 | 0 | 0 | 0 | 111.1 | S913 | P911-S913 PolarHBondContact O-N 3.3Š|
| 912 | P | 68.2 | Low | 67.4 | Low | 52 Ų | 52 | 109.7 Ų | 109.7 | 34% | 0.338 | 59% | 0.586 | S | S | . | * | | | trans | -68.7 | 88.8 | -173.8 | 29.5 | -37.9 | 0 | 0 | 0 | 111.6 | R890 | R890-P912 HydrophobicContact CB-CB 3.68Å; R890-P912 HydrophobicContact CB-CG 3.99Å; R890-P912 WeakPolarHBondContact O-CG 3.14Å |
| 913 | S | 61.6 | Low | 65 | Low | 55 Ų | 55 | 113 Ų | 113 | 39% | 0.385 | 61% | 0.606 | S | S | . | * | | | trans | -39.7 | 127.5 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | R890 R893 P911 S915 | R890-S913 PolarHBondContact NH1-O 3.33Å; R890-S913 VanDerWaalsContact NH1-O 3.08Å; R893-S913 PolarHBondContact NH1-OG 3.2Å; P911-S913 PolarHBondContact O-N 3.3Å; S913-S915 PolarHBondContact O-N 3.45Å |
| 914 | P | 58.1 | Low | 62.3 | Low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | | | trans | -57.5 | 125.9 | 177.1 | 24 | -33 | 0 | 0 | 0 | 108.8 | P916 | P914-P916 WeakPolarHBondContact O-CD 3.43Š|
| 915 | S | 50.1 | Low | 59.8 | Low | 48 Ų | 48 | 118.1 Ų | 118.1 | 34% | 0.336 | 62% | 0.624 | S | S | . | * | | | trans | -70.6 | 125.9 | -171.9 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | S913 S917 R918 | S913-S915 PolarHBondContact O-N 3.45Å; S915-S917 WeakPolarHBondContact CB-OG 2.84Å; S915-S917 PolarHBondContact O-N 3.25Å; S915-S917 PolarHBondContact OG-OG 3.24Å; S915-R918 PolarHBondContact O-N 2.99Å |
| 916 | P | 48.2 | Very low | 57 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 81% | 0.805 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -2.5 | 176.8 | 27.9 | -35 | 0 | 0 | 0 | 113.2 | P914 R918 | P914-P916 WeakPolarHBondContact O-CD 3.43Å; P916-R918 VanDerWaalsContact C-N 3.31Å |
| 917 | S | 44.8 | Very low | 54.6 | Low | 102 Ų | 102 | 120.9 Ų | 120.9 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -15.1 | 169.6 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | S915 | S915-S917 WeakPolarHBondContact CB-OG 2.84Å; S915-S917 PolarHBondContact O-N 3.25Å; S915-S917 PolarHBondContact OG-OG 3.24Å |
| 918 | R | 40.6 | Very low | 52.1 | Low | 203 Ų | 203 | 118.6 Ų | 118.6 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | | | trans | -99 | 72.6 | 170.7 | -163.4 | 178.9 | -170.3 | -179.1 | 3 | 109.7 | S915 P916 | S915-R918 PolarHBondContact O-N 2.99Å; P916-R918 VanDerWaalsContact C-N 3.31Å |
| 919 | Q | 37 | Very low | 49.8 | Very low | 157 Ų | 157 | 124.8 Ų | 124.8 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | | | trans | -54.8 | 135.5 | 162 | -71.4 | -175.5 | -59.3 | 0 | 0 | 108.7 | R921 | Q919-R921 PolarHBondContact O-N 3.05Š|
| 920 | P | 40.5 | Very low | 47.2 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | | | trans | -65.6 | 108.3 | 170.2 | 27.2 | -32.2 | 0 | 0 | 0 | 108.4 | Q922 | P920-Q922 PolarHBondContact O-N 3.38Š|
| 921 | R | 35.8 | Very low | 45.1 | Very low | 245 Ų | 245 | 126.4 Ų | 126.4 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | | | trans | -74.8 | 70.5 | 170.6 | -77 | -173.6 | 172.3 | -179.9 | -3.1 | 110 | Q919 | Q919-R921 PolarHBondContact O-N 3.05Š|
| 922 | Q | 42.5 | Very low | 43.1 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | trans | -94 | 121.4 | 154.3 | -79.3 | -170.6 | -37.3 | 0 | 0 | 108.2 | P920 Y924 | P920-Q922 PolarHBondContact O-N 3.38Å; Q922-Y924 PolarHBondContact O-N 3.07Å; Q922-Y924 VanDerWaalsContact O-N 3.12Å |
| 923 | P | 39.3 | Very low | 41.5 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | | | trans | -83.3 | 85.5 | -178.1 | 33.4 | -34 | 0 | 0 | 0 | 110.9 | A925 | P923-A925 PolarHBondContact O-N 3Š|
| 924 | Y | 38.1 | Very low | 40.3 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | -84.5 | 106.6 | 157.3 | -90.1 | -79.6 | 0 | 0 | 0 | 108.9 | Q922 P926 | Q922-Y924 PolarHBondContact O-N 3.07Å; Q922-Y924 VanDerWaalsContact O-N 3.12Å; Y924-P926 WeakPolarHBondContact O-CD 3.38Å |
| 925 | A | 38.6 | Very low | 39.9 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | | | trans | -73 | 125.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P923 L927 | P923-A925 PolarHBondContact O-N 3Å; A925-L927 VanDerWaalsContact C-N 3.29Å; A925-L927 HydrophobicContact CB-CG 4.49Å; A925-L927 PolarHBondContact O-N 3.01Å; A925-L927 VanDerWaalsContact O-N 3.08Å |
| 926 | P | 36.5 | Very low | 39.8 | Very low | 133 Ų | 133 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -85 | 71.3 | 173.4 | 34.9 | -33.8 | 0 | 0 | 0 | 110.5 | Y924 | Y924-P926 WeakPolarHBondContact O-CD 3.38Š|
| 927 | L | 43.9 | Very low | 39.6 | Very low | 151 Ų | 151 | 140 Ų | 140 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -104.7 | 108.8 | 170.6 | -65.9 | 176.7 | 0 | 0 | 0 | 108.3 | A925 | A925-L927 VanDerWaalsContact C-N 3.29Å; A925-L927 HydrophobicContact CB-CG 4.49Å; A925-L927 PolarHBondContact O-N 3.01Å; A925-L927 VanDerWaalsContact O-N 3.08Å |
| 928 | A | 38.4 | Very low | 39.4 | Very low | 80 Ų | 80 | 146.4 Ų | 146.4 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | | | | 79.8 | 87.6 | 104.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 929 | L | 42.2 | Very low | 39.6 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | | | | 85.9 | 92.6 | 88.1 | -82.8 | 162.7 | 0 | 0 | 0 | 112.5 | | |
| 930 | G | 32.2 | Very low | 39.8 | Very low | 68 Ų | 68 | 138.5 Ų | 138.5 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | trans | -144.6 | 133.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 931 | P | 36.1 | Very low | 39.7 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | | | trans | -92.6 | 139.4 | -171.9 | 34.1 | -33.7 | 0 | 0 | 0 | 114.1 | | |
| 932 | G | 32.4 | Very low | 39.9 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | trans | 101.8 | 158.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 933 | L | 34.5 | Very low | 39.7 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | cis | -139.8 | 148.3 | -7.2 | -72.3 | 172.2 | 0 | 0 | 0 | 109.3 | | |
| 934 | Y | 36.5 | Very low | 40 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 136.2 | 165.9 | -100.5 | -102.6 | 0 | 0 | 0 | 109.7 | P936 | Y934-P936 WeakPolarHBondContact O-CD 3.31Š|
| 935 | P | 50.9 | Low | 39.9 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 123.6 | 163.2 | 29.9 | -31.1 | 0 | 0 | 0 | 109.6 | | |
| 936 | P | 46.9 | Very low | 40 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 155.6 | -178 | 34.9 | -35 | 0 | 0 | 0 | 112.6 | Y934 | Y934-P936 WeakPolarHBondContact O-CD 3.31Š|
| 937 | A | 44.2 | Very low | 39.8 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | -144.7 | 133.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 938 | Y | 41.2 | Very low | 39.9 | Very low | 238 Ų | 238 | 125.4 Ų | 125.4 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 65.9 | 87.5 | 176.1 | -52.2 | -76.2 | 0 | 0 | 0 | 117.6 | | |
| 939 | G | 44.3 | Very low | 39.6 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 165.3 | 132.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 940 | P | 41.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -121 | 158.7 | -153.5 | 43.6 | -34.2 | 0 | 0 | 0 | 118.5 | | |
| 941 | I | 37.3 | Very low | 39.6 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | | | trans | 92 | 133.9 | 151.3 | -68.4 | 153.1 | 0 | 0 | 0 | 120.6 | | |
| 942 | S | 41.5 | Very low | 39.4 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | 74.4 | 117 | 165.1 | -66.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 943 | G | 37.5 | Very low | 39.6 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -94.3 | -150.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 944 | P | 45.9 | Very low | 39.5 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | cis | -136 | -179.7 | 31.7 | 42 | -25.1 | 0 | 0 | 0 | 117.1 | | |
| 945 | S | 36.2 | Very low | 39.4 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | trans | 57.8 | 122.6 | 160.6 | 44.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 946 | L | 39.4 | Very low | 38.7 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | | 70.7 | 135.6 | 59.1 | -62.7 | 169.6 | 0 | 0 | 0 | 112.6 | | |
| 947 | S | 34 | Very low | 38.1 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | cis | -152.1 | 175.8 | 18 | -106 | 0 | 0 | 0 | 0 | 114.4 | | |
| 948 | P | 44.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | -114.2 | 177.3 | -173.4 | 42.8 | -34.2 | 0 | 0 | 0 | 116.1 | | |
| 949 | L | 32.3 | Very low | 37.6 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 172.3 | 140.3 | 150.7 | -109.1 | 60.8 | 0 | 0 | 0 | 106.7 | | |
| 950 | S | 35.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | | 70.9 | 147.8 | 53.8 | -54.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 951 | P | 39.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | cis | -134 | -155.6 | -44.3 | 40.6 | -23.5 | 0 | 0 | 0 | 112.1 | | |
| 952 | N | 31.2 | Very low | 37.1 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | 100.3 | 155.7 | 157.3 | -153.5 | 13.5 | 0 | 0 | 0 | 120.4 | | |
| 953 | L | 35.6 | Very low | 36.9 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | 84 | 152.4 | 169.7 | -55.5 | -178.2 | 0 | 0 | 0 | 120.3 | | |
| 954 | S | 32.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -142.7 | 154.3 | -152.8 | -60.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 955 | A | 34.9 | Very low | 37 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | 53.9 | 110.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 956 | L | 37.4 | Very low | 37 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 98% | 0.979 | 80% | 0.795 | S | S | * | * | | | trans | 172.7 | 150.3 | 137.8 | -97.2 | 144.5 | 0 | 0 | 0 | 107.7 | | |
| 957 | G | 32.7 | Very low | 36.8 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | | | cis | -175.5 | 134.5 | -8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 958 | S | 34.5 | Very low | 36.8 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | 39.7 | 125 | 148 | 59.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 959 | L | 40.5 | Very low | 36.6 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | | | trans | -141 | 162 | 142.3 | -95.7 | -180 | 0 | 0 | 0 | 111.3 | | |
| 960 | Q | 38.1 | Very low | 37.1 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | trans | -130.6 | 167.2 | -156 | -76.9 | -174.5 | -3.6 | 0 | 0 | 111.6 | | |
| 961 | L | 34.5 | Very low | 37.1 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | | | cis | -157.8 | -135.5 | -1.5 | -119.1 | 171 | 0 | 0 | 0 | 105.4 | | |
| 962 | P | 39.9 | Very low | 37.3 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | | | cis | -128.2 | 115.6 | -38.9 | 24 | -1.4 | 0 | 0 | 0 | 114.2 | | |
| 963 | W | 37.4 | Very low | 37.7 | Very low | 252 Ų | 252 | 133.2 Ų | 133.2 | 96% | 0.955 | 79% | 0.792 | S | S | * | * | | | trans | -169.3 | 85.9 | 143.1 | 47.1 | -86.6 | 0 | 0 | 0 | 111.8 | | |
| 964 | A | 37.6 | Very low | 37.8 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -146.7 | 135.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 965 | P | 48.8 | Very low | 38.2 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -70.3 | 145.7 | 166.4 | -13.2 | 29.1 | 0 | 0 | 0 | 110.7 | A967 | P965-A967 PolarHBondContact O-N 2.98Š|
| 966 | E | 36.1 | Very low | 38.5 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -54.9 | 129.6 | 161.2 | -76.9 | 172.7 | 105.6 | 0 | 0 | 109.2 | | |
| 967 | A | 34.1 | Very low | 38.4 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | | 69.7 | 90.4 | 61.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P965 | P965-A967 PolarHBondContact O-N 2.98Š|
| 968 | G | 35.2 | Very low | 39 | Very low | 66 Ų | 66 | 144.1 Ų | 144.1 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | -144.1 | 114.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | L970 | G968-L970 PolarHBondContact O-N 3.26Š|
| 969 | P | 38.6 | Very low | 39 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -81.3 | 105.7 | -178 | 30.9 | -31.6 | 0 | 0 | 0 | 109.9 | | |
| 970 | L | 43.8 | Very low | 38.8 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -123.4 | 102.2 | 173.3 | -94.6 | 167.3 | 0 | 0 | 0 | 111.6 | G968 G972 | G968-L970 PolarHBondContact O-N 3.26Å; L970-G972 PolarHBondContact O-N 3.3Å; L970-G972 VanDerWaalsContact O-N 3.15Å |
| 971 | E | 36 | Very low | 38.8 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -19.5 | 104.6 | 147.3 | -154.8 | 62.5 | -142.6 | 0 | 0 | 112.8 | | |
| 972 | G | 44.1 | Very low | 39.2 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | -114.5 | 23.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L970 Y974 | L970-G972 PolarHBondContact O-N 3.3Å; L970-G972 VanDerWaalsContact O-N 3.15Å; G972-Y974 PolarHBondContact O-N 3.29Å |
| 973 | M | 39.9 | Very low | 38.8 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | | | trans | -78.4 | 67.9 | -174.8 | -84.1 | -74.5 | -71.2 | 0 | 0 | 113.7 | | |
| 974 | Y | 36 | Very low | 38.7 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -154.2 | 141.3 | 165.9 | -67.3 | -48.4 | 0 | 0 | 0 | 110.3 | G972 | G972-Y974 PolarHBondContact O-N 3.29Š|
| 975 | Y | 41.5 | Very low | 38.6 | Very low | 195 Ų | 195 | 131 Ų | 131 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | cis | -144.8 | 139.7 | -19.6 | -100.4 | 165 | 0 | 0 | 0 | 105.2 | | |
| 976 | M | 40.8 | Very low | 38.2 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | | | | 78.1 | 150 | 59.1 | -70.1 | -63.7 | 173.3 | 0 | 0 | 114.5 | | |
| 977 | P | 36.8 | Very low | 38.2 | Very low | 100 Ų | 100 | 127 Ų | 127 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | -106.8 | 161.9 | -137.2 | 39.9 | -36.6 | 0 | 0 | 0 | 115.2 | S979 | P977-S979 PolarHBondContact O-N 3.37Š|
| 978 | L | 44.2 | Very low | 38.6 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 96% | 0.963 | 78% | 0.777 | S | S | * | * | | | trans | -93.2 | 77.9 | 171.9 | -73.6 | 170.3 | 0 | 0 | 0 | 111.7 | | |
| 979 | S | 36 | Very low | 38.6 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -128.9 | 102.4 | 167.2 | -70.2 | 0 | 0 | 0 | 0 | 109.9 | P977 | P977-S979 PolarHBondContact O-N 3.37Š|
| 980 | G | 35.2 | Very low | 38.5 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 84.4 | 151 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 981 | T | 37.2 | Very low | 38.1 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | cis | -144.2 | 170.8 | -9.4 | 60 | 0 | 0 | 0 | 0 | 109.6 | | |
| 982 | P | 43 | Very low | 38.2 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -129.3 | 130.5 | 130.8 | 35.1 | -28.5 | 0 | 0 | 0 | 113 | | |
| 983 | S | 31.9 | Very low | 38.4 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 63.1 | 131.8 | 164.5 | -153.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 984 | P | 35.5 | Very low | 38.3 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -81.7 | 126.6 | 171.5 | 32.7 | -32.1 | 0 | 0 | 0 | 112.1 | | |
| 985 | A | 35.2 | Very low | 38.4 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -143.1 | 132.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 986 | P | 41.5 | Very low | 38.1 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -80 | 164.2 | -169 | 32 | -36 | 0 | 0 | 0 | 113.9 | | |
| 987 | P | 35.1 | Very low | 38.2 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | trans | -87.1 | 141.6 | -163.5 | 33.3 | -36 | 0 | 0 | 0 | 115.1 | | |
| 988 | M | 42.2 | Very low | 38.3 | Very low | 171 Ų | 171 | 118.8 Ų | 118.8 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | -125 | 103.4 | 153.7 | -67.2 | -71.1 | -76.4 | 0 | 0 | 105.2 | | |
| 989 | L | 36.1 | Very low | 38.3 | Very low | 126 Ų | 126 | 115.5 Ų | 115.5 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | | 65.2 | 140.1 | 68 | -63.1 | 178.2 | 0 | 0 | 0 | 113.8 | | |
| 990 | F | 37.4 | Very low | 38.3 | Very low | 175 Ų | 175 | 116.8 Ų | 116.8 | 77% | 0.768 | 76% | 0.762 | S | S | * | * | | | trans | 70.6 | 94 | 174.9 | -61 | -74.3 | 0 | 0 | 0 | 118.6 | | |
| 991 | C | 35.4 | Very low | 38.4 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | | 64.6 | 134.9 | 116.7 | -62.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 992 | A | 37.9 | Very low | 38.7 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -74.7 | 150.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 993 | P | 47.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -92.4 | 132.6 | 146.1 | 33.1 | -27.7 | 0 | 0 | 0 | 110.4 | | |
| 994 | P | 38.9 | Very low | 38.8 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -84.4 | 179.5 | 170.2 | 36.7 | -35.8 | 0 | 0 | 0 | 111.7 | | |
| 995 | S | 36.7 | Very low | 39 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 63 | 95.9 | 158.2 | -59.6 | 0 | 0 | 0 | 0 | 117.6 | S997 | S995-S997 VanDerWaalsContact C-N 3.29Å; S995-S997 PolarHBondContact O-N 3.41Å |
| 996 | S | 36.6 | Very low | 39.2 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 97% | 0.965 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 87.2 | 154.6 | -179.6 | 0 | 0 | 0 | 0 | 110 | | |
| 997 | S | 41.2 | Very low | 39.3 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | -99.8 | 123.9 | 162.1 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | S995 | S995-S997 VanDerWaalsContact C-N 3.29Å; S995-S997 PolarHBondContact O-N 3.41Å |
| 998 | G | 40.4 | Very low | 39.3 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | trans | -70 | -174.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 999 | P | 43.6 | Very low | 39.6 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | | | cis | -143.2 | 170.7 | 25.5 | 44.6 | -27.1 | 0 | 0 | 0 | 117.4 | | |
| 1000 | I | 35.3 | Very low | 39.9 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | trans | 50.3 | 114.6 | 133.7 | -66.1 | 168.9 | 0 | 0 | 0 | 120.1 | | |
| 1001 | Q | 38.9 | Very low | 40 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | | | trans | 63.5 | 154.9 | 143.8 | -72.3 | 178 | -31.3 | 0 | 0 | 119.9 | | |
| 1002 | S | 42.1 | Very low | 40.2 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | cis | -169.4 | 169.9 | -16 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1003 | S | 37 | Very low | 40.4 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | 109.8 | 133.4 | 135.1 | 83.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1004 | K | 39.9 | Very low | 39.9 | Very low | 211 Ų | 211 | 122.6 Ų | 122.6 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | | | trans | 74.6 | 134.8 | 148.8 | -71.3 | 174.4 | 176.6 | -179.8 | 0 | 121.6 | | |
| 1005 | G | 39.9 | Very low | 40 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | 117.2 | 95.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1006 | S | 39.2 | Very low | 40.2 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | cis | 70.3 | 119.2 | 48.5 | -158.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1007 | V | 43.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | cis | -153.8 | 169.3 | 5.2 | 104.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1008 | F | 36.4 | Very low | 40.4 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -32.8 | 169.5 | 168.2 | -77 | -79.9 | 0 | 0 | 0 | 118.8 | | |
| 1009 | P | 47.5 | Very low | 40.4 | Very low | 42 Ų | 42 | 130.5 Ų | 130.5 | 27% | 0.273 | 75% | 0.747 | S | S | . | * | | | cis | -142 | 153.1 | 21.3 | 39.6 | -19.8 | 0 | 0 | 0 | 120 | I507 E508 | I507-P1009 HydrophobicContact CB-CG 4.13Å; I507-P1009 HydrophobicContact CD1-CG 4.45Å; I507-P1009 HydrophobicContact CG1-CG 3.75Å; I507-P1009 HydrophobicContact CG2-CG 3.93Å; E508-P1009 HydrophobicContact CB-CG 4.4Å; E508-P1009 HydrophobicContact CG-CB 4.15Å; E508-P1009 HydrophobicContact CG-CG 4.07Å |
| 1010 | L | 42.3 | Very low | 40.1 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 100% | 1.031 | 75% | 0.747 | S | S | * | * | | | | -155.1 | 0 | 117.5 | -114.4 | 170 | 0 | 0 | 0 | 109.2 | | |