| 1 | M | 35.9 | Very low | 36.5 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 100% | 1.153 | 76% | 0.763 | S | S | * | * | | | | 0 | 128.5 | 0 | -65.1 | 112.2 | 176.5 | 0 | 0 | 106.6 | | |
| 2 | K | 34.2 | Very low | 36.3 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | | 50.7 | 123.9 | 81.2 | -67.7 | -167.2 | 175.3 | -174.1 | 0 | 112.2 | | |
| 3 | T | 36.8 | Very low | 36.1 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | cis | -166.4 | 158.5 | -2.1 | 13.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 4 | G | 34.4 | Very low | 36.1 | Very low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -87.2 | -148.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 5 | P | 62 | Low | 35.8 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | cis | -138.4 | -141 | -9.9 | 39.7 | -17.8 | 0 | 0 | 0 | 111.9 | | |
| 6 | V | 34.6 | Very low | 35.6 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | | | trans | 82.5 | 126.3 | 170.1 | -171.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 7 | E | 35.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | cis | 103.4 | 143.2 | 16.2 | -163.2 | -160.3 | -112.7 | 0 | 0 | 114.9 | | |
| 8 | K | 33.4 | Very low | 35.2 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | | | trans | 97.2 | 112.4 | 163.8 | -64.2 | -155.5 | 160.4 | 65.4 | 0 | 122.8 | | |
| 9 | D | 31.6 | Very low | 35.1 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | | 68.9 | 115.4 | 112.3 | -53.2 | -24.9 | 0 | 0 | 0 | 124.8 | | |
| 10 | L | 32 | Very low | 36 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | | 78.2 | 136.7 | 122.8 | -65.1 | 173.5 | 0 | 0 | 0 | 124.5 | | |
| 11 | S | 30.6 | Very low | 35.8 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | | | trans | 86 | 107.2 | 139.3 | 67.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 12 | E | 34.2 | Very low | 35.8 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | | | | 50.3 | 130.6 | 126.1 | -59.7 | 169.6 | 114.4 | 0 | 0 | 121.3 | | |
| 13 | K | 34.2 | Very low | 35.7 | Very low | 202 Ų | 202 | 138 Ų | 138 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | | | | -165.5 | 153.9 | 129.7 | -103.9 | 151.8 | -140.9 | 80.5 | 0 | 113.8 | | |
| 14 | D | 35.4 | Very low | 35.5 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | trans | -111.1 | 146.7 | -171.8 | -138.7 | -34 | 0 | 0 | 0 | 111.3 | | |
| 15 | S | 31.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 167.7 | 105.2 | 164.4 | 55.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 16 | T | 32.5 | Very low | 34.8 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | cis | 80.9 | 134.6 | 38.7 | -24.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 17 | I | 32.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 80.2 | 108.6 | 164.8 | -35.1 | 177.5 | 0 | 0 | 0 | 118.9 | | |
| 18 | K | 31.2 | Very low | 34.6 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | | 177.2 | 108.3 | 112.8 | -96.4 | -179 | -177.1 | 176.3 | 0 | 115.3 | | |
| 19 | D | 34.1 | Very low | 34.4 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -83.2 | 170.5 | 149.2 | -51.4 | -75.2 | 0 | 0 | 0 | 110 | | |
| 20 | P | 52.3 | Low | 34.4 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | | -155.8 | 150.9 | 77.1 | 40 | -19.8 | 0 | 0 | 0 | 118.8 | | |
| 21 | S | 32.9 | Very low | 34.4 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | 62.3 | 154.7 | 138.2 | 70.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 22 | D | 35.7 | Very low | 35.3 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | cis | -174.4 | 165.6 | -21.7 | -106.5 | -61.8 | 0 | 0 | 0 | 108.6 | | |
| 23 | K | 31.5 | Very low | 35.4 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | 117.9 | 101.6 | 149.8 | -65.9 | -178.2 | -177.7 | 171.8 | 0 | 120.8 | | |
| 24 | D | 33.1 | Very low | 35.4 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -54.3 | 168.4 | 130.5 | -88.8 | -54.6 | 0 | 0 | 0 | 113 | | |
| 25 | P | 49.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | cis | -149 | -173 | 33.4 | 43.9 | -23 | 0 | 0 | 0 | 118 | | |
| 26 | A | 30.9 | Very low | 35.3 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | | | trans | -100.9 | 160.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 27 | Q | 34.3 | Very low | 35.3 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | trans | 149.8 | 129.2 | 133.7 | -82.3 | -170.8 | 54.7 | 0 | 0 | 115.8 | | |
| 28 | K | 32 | Very low | 35.3 | Very low | 171 Ų | 171 | 139 Ų | 139 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 49.4 | 131.4 | 139.7 | -58.6 | 170.9 | -178.1 | 155.4 | 0 | 121.3 | | |
| 29 | S | 30.4 | Very low | 35.2 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | | 164.1 | 164.4 | 92.5 | 54.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 30 | A | 30.6 | Very low | 35.2 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | 86.8 | 122.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 31 | E | 31.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | -70.4 | 172.1 | 157.9 | -116.7 | -170.6 | -116.2 | 0 | 0 | 111.6 | K33 | E31-K33 IonicContact OE2-NZ 3.9Å; E31-K33 PolarHBondContact OE2-NZ 3.2Å |
| 32 | P | 50.9 | Low | 34.4 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | -154.2 | 169 | 46.6 | 43.4 | -21.7 | 0 | 0 | 0 | 120.8 | | |
| 33 | K | 34.9 | Very low | 34.5 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | 11.9 | 147.3 | 135.2 | -56.2 | 167.9 | 174.7 | 87.6 | 0 | 119.4 | E31 | E31-K33 IonicContact OE2-NZ 3.9Å; E31-K33 PolarHBondContact OE2-NZ 3.2Å |
| 34 | A | 34.5 | Very low | 34.5 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | cis | -169.8 | -149.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 35 | T | 32.7 | Very low | 34.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | cis | -169.2 | 154.9 | 12 | -154.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 36 | I | 33.4 | Very low | 33.5 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | 31.9 | 134.7 | 145 | -61 | 164.7 | 0 | 0 | 0 | 123 | | |
| 37 | I | 31.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | | -164.2 | 150.6 | 123.9 | -99.4 | 159.1 | 0 | 0 | 0 | 111.6 | | |
| 38 | Q | 33.4 | Very low | 34.6 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -120.6 | 161.1 | 178.8 | -61.6 | 172.2 | -47 | 0 | 0 | 111.3 | | |
| 39 | C | 28.4 | Very low | 34.5 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | | | trans | 171.5 | 170.7 | 131.5 | -94.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 40 | A | 33.3 | Very low | 34.7 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | | | trans | -129.3 | 169.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 41 | D | 33.5 | Very low | 34.6 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | | 166.5 | 145.2 | 122.6 | -96.9 | -40.6 | 0 | 0 | 0 | 117.8 | | |
| 42 | A | 34.9 | Very low | 34.7 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 63% | 0.628 | 76% | 0.758 | S | S | * | * | | | trans | 70.8 | 112.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 127.5 | | |
| 43 | K | 37.9 | Very low | 33.7 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | | 83.5 | 163.4 | 116.5 | -69.4 | 179.1 | -179.1 | 176.4 | 0 | 124.7 | | |
| 44 | T | 31.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | 83.1 | 148.8 | 165.1 | 71.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 45 | D | 29.8 | Very low | 33.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | cis | -159 | -169.9 | -22.8 | -107.6 | -41 | 0 | 0 | 0 | 112 | | |
| 46 | K | 32.3 | Very low | 32.9 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -143.9 | -157.2 | -174.9 | -57 | -172.2 | -179.3 | -177.1 | 0 | 110.3 | | |
| 47 | P | 55.8 | Low | 32.6 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | | | cis | -147.2 | -164.5 | -7.3 | 46.2 | -25.7 | 0 | 0 | 0 | 117.4 | | |
| 48 | I | 33.5 | Very low | 32.4 | Very low | 145 Ų | 145 | 139 Ų | 139 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | trans | 79.9 | 139.2 | 155.8 | -65 | 165.4 | 0 | 0 | 0 | 117.2 | T50 | I48-T50 HydrophobicContact CG2-CG2 4.43Š|
| 49 | I | 29.6 | Very low | 32.4 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | | -155.8 | 126.3 | 72.9 | -66.8 | 168.4 | 0 | 0 | 0 | 109.7 | | |
| 50 | T | 33.7 | Very low | 33.1 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | | | | 46.3 | 156.5 | 98.6 | 104 | 0 | 0 | 0 | 0 | 118.2 | I48 | I48-T50 HydrophobicContact CG2-CG2 4.43Š|
| 51 | D | 28.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | -151.5 | 157 | -4 | -93.1 | -53.9 | 0 | 0 | 0 | 107.1 | | |
| 52 | K | 33.6 | Very low | 33.2 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | cis | 111.3 | 106.8 | 8.6 | 173 | -146.4 | 178.1 | -172.9 | 0 | 114.4 | | |
| 53 | S | 29.9 | Very low | 32.9 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | trans | -163 | 156.3 | 168.1 | 63.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 54 | G | 28.3 | Very low | 32.6 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | | | trans | 164.8 | 143.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 55 | E | 28.7 | Very low | 32.4 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -166.2 | 138.6 | 169.4 | -104.5 | -168.7 | 98.3 | 0 | 0 | 109.3 | | |
| 56 | R | 29.1 | Very low | 32.5 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | | 61.6 | 148.4 | 95 | -66.4 | -177.9 | 164.5 | -101.6 | -0.2 | 114.8 | E58 | R56-E58 WeakPolarHBondContact CG-OE1 2.99Å; R56-E58 IonicContact CZ-OE1 2.57Å; R56-E58 IonicContact CZ-OE2 3.93Å; R56-E58 IonicContact NE-OE1 2.75Å; R56-E58 IonicContact NH1-OE1 2.65Å; R56-E58 PolarHBondContact NH1-OE1 2.93Å; R56-E58 IonicContact NH1-OE2 3.13Å; R56-E58 PolarHBondContact NH1-OE2 3.31Å |
| 57 | T | 26.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | | | cis | -146.8 | 166.9 | 19.1 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 58 | E | 27.2 | Very low | 31.2 | Very low | 133 Ų | 133 | 138 Ų | 138 | 62% | 0.621 | 74% | 0.739 | S | S | * | * | | | cis | -170.8 | -167.4 | -39.1 | -110.4 | 155.3 | -79.9 | 0 | 0 | 108.9 | R56 | R56-E58 WeakPolarHBondContact CG-OE1 2.99Å; R56-E58 IonicContact CZ-OE1 2.57Å; R56-E58 IonicContact CZ-OE2 3.93Å; R56-E58 IonicContact NE-OE1 2.75Å; R56-E58 IonicContact NH1-OE1 2.65Å; R56-E58 PolarHBondContact NH1-OE1 2.93Å; R56-E58 IonicContact NH1-OE2 3.13Å; R56-E58 PolarHBondContact NH1-OE2 3.31Å |
| 59 | A | 32.9 | Very low | 30.9 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | -81.5 | 168.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 60 | P | 44.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | | | | -144.9 | -169.3 | 107.1 | 40.3 | -24.9 | 0 | 0 | 0 | 116 | | |
| 61 | H | 33.3 | Very low | 30.6 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | | | trans | -100.1 | 146.6 | -160.6 | -103.5 | -121.9 | 0 | 0 | 0 | 117.2 | | |
| 62 | V | 33.8 | Very low | 31.4 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | | | trans | 82.8 | 130.2 | 133.9 | 168 | 0 | 0 | 0 | 0 | 122.6 | | |
| 63 | N | 30.5 | Very low | 31 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | 78.6 | 119.6 | 153.4 | -79.2 | -11.8 | 0 | 0 | 0 | 123.4 | | |
| 64 | K | 30.3 | Very low | 31 | Very low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | | | | 116.7 | 123.6 | 120.5 | -161.2 | 167.4 | -173.5 | 175.6 | 0 | 121.1 | | |
| 65 | D | 29 | Very low | 31.1 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | trans | 34 | 135.6 | 148.9 | -52 | -19.4 | 0 | 0 | 0 | 125.1 | | |
| 66 | K | 31.6 | Very low | 31.1 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | 73.6 | 158 | 135.1 | -82.1 | -172.6 | 176.8 | -167.8 | 0 | 120.3 | | |
| 67 | S | 29.1 | Very low | 31.1 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 50% | 0.497 | 73% | 0.731 | S | S | . | * | | | cis | -165.1 | 172.9 | -8 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 68 | E | 30.3 | Very low | 31.2 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | | | trans | 67.6 | 160.3 | 143.3 | -82.2 | 133.3 | -151.7 | 0 | 0 | 119.1 | | |
| 69 | S | 28.6 | Very low | 31.4 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | cis | -159.9 | 176.2 | -11.7 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 70 | G | 28.5 | Very low | 31.2 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | cis | -172.2 | -168.7 | 11 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 71 | T | 28.2 | Very low | 30.4 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 85% | 0.847 | 74% | 0.735 | S | S | * | * | | | trans | -87.8 | 178.3 | -172.5 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 72 | P | 44.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | | -147 | 160.8 | 93.6 | 39.8 | -25.4 | 0 | 0 | 0 | 116.1 | | |
| 73 | N | 25.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | | | trans | 60.8 | 125.4 | 150.8 | -74.3 | -24.1 | 0 | 0 | 0 | 118.6 | | |
| 74 | R | 29.5 | Very low | 29.8 | Very low | 206 Ų | 206 | 131.5 Ų | 131.5 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | | | cis | 107.9 | 146.2 | 40.9 | -101 | -170.2 | 176.2 | 160.7 | -5.7 | 107.9 | | |
| 75 | K | 30.2 | Very low | 29.9 | Very low | 170 Ų | 170 | 131 Ų | 131 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | | | trans | 66.8 | 158.1 | 158.9 | -80.9 | 174.8 | 159.4 | -74.6 | 0 | 113.3 | | |
| 76 | S | 28.9 | Very low | 29.9 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | | | cis | -179.2 | 161.3 | -7.7 | 40.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 77 | D | 29.4 | Very low | 29.9 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | | | cis | -167.5 | 158.1 | -16.7 | -83.4 | -26 | 0 | 0 | 0 | 102.4 | | |
| 78 | D | 29.9 | Very low | 30 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | | | trans | 61.1 | 157.5 | 152.1 | -66.8 | -159.1 | 0 | 0 | 0 | 119.5 | | |
| 79 | V | 31.7 | Very low | 30 | Very low | 122 Ų | 122 | 132 Ų | 132 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | | | cis | -141.4 | 170.5 | -0.3 | -126.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 80 | E | 27.6 | Very low | 30.2 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | | | trans | -38 | 172.5 | 148.6 | -44.8 | -171.3 | 132.6 | 0 | 0 | 114 | | |
| 81 | E | 28.1 | Very low | 30.3 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 77% | 0.771 | 72% | 0.719 | S | S | * | * | | | cis | -155.8 | -168 | 33.1 | -142.1 | -163.9 | 145 | 0 | 0 | 113.2 | | |
| 82 | V | 27.6 | Very low | 30.5 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | | | trans | -59.9 | 178.3 | 177.1 | -59 | 0 | 0 | 0 | 0 | 113.4 | | |
| 83 | S | 27.1 | Very low | 29.7 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | | | cis | -165.2 | 155.5 | 17.7 | -152.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 84 | S | 30.4 | Very low | 30.1 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | | | trans | 32.7 | 140 | 133.4 | 70.7 | 0 | 0 | 0 | 0 | 123.7 | | |
| 85 | E | 32.4 | Very low | 30 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | trans | 71.7 | 158.9 | 141 | -77.3 | -159.5 | 96.8 | 0 | 0 | 119.2 | | |
| 86 | N | 29.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | | | cis | -177.8 | 167.8 | -23.3 | -170.5 | -5.6 | 0 | 0 | 0 | 107 | | |
| 87 | R | 30.3 | Very low | 30.4 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | | | trans | 69.1 | 159.7 | 163.8 | -58.1 | 176.3 | 173.2 | -116.2 | 3.6 | 117.1 | | |
| 88 | Q | 31.8 | Very low | 30.2 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 59% | 0.593 | 75% | 0.753 | S | S | * | * | | | cis | -164.9 | 150 | -20.4 | -109.2 | 179.9 | -81 | 0 | 0 | 110.6 | | |
| 89 | D | 30.3 | Very low | 30.2 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | trans | 52 | 164 | 139.1 | -70.8 | -61.9 | 0 | 0 | 0 | 124.6 | | |
| 90 | V | 31.9 | Very low | 30.1 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | 91.9 | 92.4 | 155.2 | -162.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 91 | K | 32.1 | Very low | 30.1 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | | | trans | -32.3 | 140.1 | 150.9 | -54.3 | 172.7 | 177.9 | -175.5 | 0 | 114.4 | | |
| 92 | K | 31.3 | Very low | 30 | Very low | 194 Ų | 194 | 138 Ų | 138 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | -160.2 | 151.9 | 131 | -128.1 | 179.7 | 178.6 | -176 | 0 | 115.8 | | |
| 93 | D | 28.2 | Very low | 30.1 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | trans | -75.8 | 140.2 | 174.3 | -7.8 | -125.6 | 0 | 0 | 0 | 111.9 | | |
| 94 | S | 33.2 | Very low | 30.3 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | -166.8 | 119.7 | 145.9 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 95 | N | 28.9 | Very low | 30.3 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | trans | -81 | 172.8 | 157.8 | -168.9 | -2.9 | 0 | 0 | 0 | 109.5 | | |
| 96 | C | 26.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | trans | 73.5 | 134.5 | -169.1 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 97 | K | 39.4 | Very low | 30 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | cis | 64.2 | 70.7 | 48.7 | -61.7 | -174.8 | 177.4 | 177.8 | 0 | 112.2 | | |
| 98 | D | 26.1 | Very low | 30 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -118.4 | 151.5 | 165.5 | -130.7 | -34.6 | 0 | 0 | 0 | 110 | | |
| 99 | G | 30 | Very low | 29.9 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | 164.7 | 98.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 100 | T | 28.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -162.2 | 160.3 | 166.1 | -32.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 101 | I | 27.2 | Very low | 29.6 | Very low | 156 Ų | 156 | 140 Ų | 140 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | 75.7 | 140.5 | 162.3 | -57.7 | 176.7 | 0 | 0 | 0 | 116.4 | | |
| 102 | C | 27.7 | Very low | 29.2 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | cis | -168.2 | -177.8 | -27.8 | 73.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 103 | D | 29.3 | Very low | 28.9 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 49% | 0.487 | 76% | 0.76 | S | S | . | * | | | cis | -147.9 | 125.5 | -6.4 | 164.7 | -142.6 | 0 | 0 | 0 | 107.9 | R105 | D103-R105 VanDerWaalsContact OD1-CG 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.42Å; D103-R105 IonicContact OD1-CZ 3.66Å; D103-R105 IonicContact OD1-NE 2.86Å; D103-R105 PolarHBondContact OD1-NE 3.36Å; D103-R105 IonicContact OD1-NH2 3.54Å; D103-R105 WeakPolarHBondContact OD2-CG 3.34Å; D103-R105 PolarHBondContact OD2-N 3.47Å |
| 104 | S | 30.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | trans | -144.7 | 62.6 | 143.2 | 42.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 105 | R | 30.1 | Very low | 28.8 | Very low | 190 Ų | 190 | 132.4 Ų | 132.4 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | trans | 62.5 | 120.8 | 132.9 | -63.3 | -171.7 | -177.6 | -161.8 | -4.4 | 121.9 | D103 | D103-R105 VanDerWaalsContact OD1-CG 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.42Å; D103-R105 IonicContact OD1-CZ 3.66Å; D103-R105 IonicContact OD1-NE 2.86Å; D103-R105 PolarHBondContact OD1-NE 3.36Å; D103-R105 IonicContact OD1-NH2 3.54Å; D103-R105 WeakPolarHBondContact OD2-CG 3.34Å; D103-R105 PolarHBondContact OD2-N 3.47Å |
| 106 | L | 28.7 | Very low | 28.9 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | | | trans | 69.9 | 128.5 | 145.2 | -56.5 | 168.9 | 0 | 0 | 0 | 115.9 | | |
| 107 | T | 28 | Very low | 29.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | cis | -150.8 | 137.5 | -5.7 | 25 | 0 | 0 | 0 | 0 | 107 | | |
| 108 | G | 29.5 | Very low | 29 | Very low | 57 Ų | 57 | 130 Ų | 130 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | | | | 128.8 | 138.5 | 106.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 109 | E | 29.5 | Very low | 29.3 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | | 69.6 | 132.3 | 70 | -66.3 | 164.1 | 165.3 | 0 | 0 | 111.1 | | |
| 110 | E | 28.4 | Very low | 29.4 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | | | cis | -167.3 | 165.1 | -5.2 | -130.7 | -174.6 | 146 | 0 | 0 | 109.3 | | |
| 111 | S | 26.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | 60.4 | -168.3 | 158.4 | 83 | 0 | 0 | 0 | 0 | 113.4 | | |
| 112 | G | 24.6 | Very low | 29.7 | Very low | 54 Ų | 54 | 132.2 Ų | 132.2 | 56% | 0.557 | 72% | 0.721 | S | S | * | * | | | cis | 132.5 | 126.5 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 113 | D | 25.1 | Very low | 29.7 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | | | trans | 58.9 | 155.8 | 161 | -64.8 | -51.1 | 0 | 0 | 0 | 122 | | |
| 114 | E | 27.8 | Very low | 29.7 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | | | trans | -38.6 | 143.3 | 166.1 | -44.4 | 177.2 | 128.4 | 0 | 0 | 114.1 | | |
| 115 | N | 32 | Very low | 29.7 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | | | | -173.3 | 110.9 | 113.2 | -98.8 | -70.7 | 0 | 0 | 0 | 112.7 | Q117 | N115-Q117 WeakPolarHBondContact OD1-CG 3.47Š|
| 116 | N | 29.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | S | Bend | | -126.7 | 128.3 | 88.2 | -87.1 | -69.7 | 0 | 0 | 0 | 106.7 | | |
| 117 | Q | 32 | Very low | 29.5 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | | | | 50 | 111.5 | 76.8 | -55.4 | -161.2 | 19.2 | 0 | 0 | 111.1 | N115 | N115-Q117 WeakPolarHBondContact OD1-CG 3.47Š|
| 118 | T | 37.6 | Very low | 29.6 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | cis | -147.8 | 127.6 | 7.7 | 22.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 119 | K | 32.9 | Very low | 29.8 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | | | | 76.5 | 145.4 | 68.7 | -169.8 | 175.1 | -178.1 | 171.1 | 0 | 112.5 | | |
| 120 | M | 31.2 | Very low | 29.9 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | | | trans | 79.4 | 141.2 | -178.1 | -37.6 | -89.7 | 48.4 | 0 | 0 | 113.7 | | |
| 121 | Q | 32.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 136 Ų | 136 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | | | cis | -175.8 | 159.1 | -40.1 | -122.4 | -175.8 | -14.5 | 0 | 0 | 107.2 | | |
| 122 | T | 28.5 | Very low | 29.8 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | trans | 46.6 | 107.6 | 150.2 | 60.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 123 | D | 27.8 | Very low | 30.2 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | | | | 97.8 | 159.2 | 78.6 | -83.4 | -59.7 | 0 | 0 | 0 | 113.6 | | |
| 124 | E | 30.9 | Very low | 30.6 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | 67.8 | 139.6 | 164.4 | -66.2 | -157.5 | 102.1 | 0 | 0 | 121.6 | | |
| 125 | K | 30.3 | Very low | 30.4 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | trans | 67.9 | 136.3 | 155.2 | -64.9 | 147.1 | -170.7 | 154.4 | 0 | 115.7 | | |
| 126 | N | 26 | Very low | 30.2 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | cis | 72.3 | 137.2 | 40.4 | -162.6 | 25.6 | 0 | 0 | 0 | 114.3 | | |
| 127 | S | 28 | Very low | 30.3 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 50% | 0.497 | 72% | 0.723 | S | S | . | * | | | trans | 54.8 | 112.4 | 166.2 | 58.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 128 | E | 29.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | | 73.2 | 150.7 | 126.7 | -62.3 | -178.2 | 97.9 | 0 | 0 | 118.8 | | |
| 129 | Q | 34.4 | Very low | 30.6 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | | | cis | -163.7 | 176.4 | -0.8 | -126.2 | -173.6 | 44.3 | 0 | 0 | 111.5 | | |
| 130 | K | 31.6 | Very low | 30.4 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | | | trans | 77.9 | 142.1 | 171.7 | -60.4 | 176.8 | 179.9 | 175 | 0 | 116.6 | | |
| 131 | S | 26.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | cis | -132 | 140.7 | -3.4 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 132 | C | 27.6 | Very low | 30.9 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | | | | 47.6 | 116.9 | 81.5 | -146.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 133 | E | 32.1 | Very low | 31 | Very low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | cis | -136.9 | 164.8 | 34.1 | -68.1 | 178.4 | 114.6 | 0 | 0 | 111.8 | | |
| 134 | Q | 32.8 | Very low | 31.2 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | | | cis | -150 | 163.7 | -10.6 | -118.1 | 173.8 | 52.9 | 0 | 0 | 109.2 | | |
| 135 | T | 25 | Very low | 31.4 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | | | trans | -51.5 | 159.7 | 177.3 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 136 | D | 28.2 | Very low | 31.4 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | | | cis | -145.4 | 173.5 | 44.6 | -98.7 | -62.5 | 0 | 0 | 0 | 117.4 | | |
| 137 | K | 30.7 | Very low | 31.7 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | | | trans | -110.9 | 175.8 | -174.2 | -109.6 | -159.4 | 173.2 | -178.9 | 0 | 113.2 | | |
| 138 | P | 50.5 | Low | 32.8 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | trans | -101.3 | 179.6 | -158.8 | 41.6 | -39.9 | 0 | 0 | 0 | 114.6 | | |
| 139 | S | 24.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | 146.7 | 146.2 | 144.8 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 140 | S | 29.8 | Very low | 32.8 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | -56.9 | 172.8 | 156.9 | -47.8 | 0 | 0 | 0 | 0 | 112 | | |
| 141 | P | 45.5 | Very low | 32.6 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | cis | -147.9 | -176 | 17.3 | 44.5 | -24.5 | 0 | 0 | 0 | 118.8 | | |
| 142 | A | 28.4 | Very low | 32.7 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | 75.6 | 127.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 143 | E | 31.5 | Very low | 32.7 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | | | trans | 37.7 | 138.5 | 143 | -67.6 | -154 | 102.8 | 0 | 0 | 121.5 | | |
| 144 | K | 30.8 | Very low | 32.6 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 68% | 0.683 | 75% | 0.751 | S | S | * | * | | | cis | -171.4 | 127.3 | 47.1 | -134.9 | 144.1 | -170.5 | 144.6 | 0 | 114.9 | | |
| 145 | K | 36 | Very low | 32.5 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | 39.6 | 116.4 | 137.7 | -55.4 | -177.3 | -176.9 | -174.8 | 0 | 122.3 | | |
| 146 | K | 29.4 | Very low | 32.7 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | | | | 152.1 | 149.8 | 120.5 | -87.7 | -180 | 178.8 | -177.8 | 0 | 111.4 | | |
| 147 | S | 33.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | cis | 171.9 | 176.5 | -17 | 57.4 | 0 | 0 | 0 | 0 | 108 | | |
| 148 | P | 50.5 | Low | 32.7 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | | | cis | -135.5 | -165.8 | -7.7 | 33.2 | -9.4 | 0 | 0 | 0 | 115.1 | | |
| 149 | K | 31.3 | Very low | 31.7 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | 84.4 | 121.1 | 164.8 | -63.5 | -167.7 | 165 | -78.9 | 0 | 117.4 | | |
| 150 | E | 32.2 | Very low | 32 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | | 88.5 | 131.5 | 50.1 | -77.2 | 173.9 | 165.6 | 0 | 0 | 112 | | |
| 151 | T | 27.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | cis | -134.5 | 169.7 | -1.6 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 152 | G | 27.8 | Very low | 31.1 | Very low | 61 Ų | 61 | 143.5 Ų | 143.5 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | | | | 70.3 | 134.9 | 63 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 153 | S | 27.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | cis | -166.6 | 169.7 | 7.5 | -73.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 154 | K | 30.3 | Very low | 31 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | | | trans | -67.3 | 158.7 | 164.2 | -66.7 | -176 | 175.4 | -173 | 0 | 113.2 | | |
| 155 | R | 30.7 | Very low | 30.8 | Very low | 224 Ų | 224 | 146 Ų | 146 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | | | trans | -175.3 | 133.8 | 141.7 | -100 | 148.8 | -164.7 | -123.7 | -0.6 | 110.8 | | |
| 156 | K | 29.5 | Very low | 30.6 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 67% | 0.665 | 75% | 0.749 | S | S | * | * | | | | 66.1 | 145.4 | 91.9 | -69.3 | -166 | 164.9 | -80.6 | 0 | 113.5 | | |
| 157 | E | 27.4 | Very low | 31.1 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | | | cis | -178.3 | 154.2 | -16.2 | -108.9 | 153.3 | -159.5 | 0 | 0 | 106.8 | | |
| 158 | E | 30.8 | Very low | 31.6 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | 60.7 | 154.3 | 156.5 | -73.7 | 168.8 | -179 | 0 | 0 | 118.2 | | |
| 159 | E | 31.1 | Very low | 30.5 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | cis | -156.3 | 173 | -11.3 | -145.4 | -158.9 | 158.9 | 0 | 0 | 110.7 | | |
| 160 | V | 30.3 | Very low | 30.4 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | 30.1 | 128.9 | 164.2 | -82.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 161 | S | 26.8 | Very low | 30.4 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | | 167.2 | 130 | 97.4 | 48.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 162 | L | 30.5 | Very low | 30.8 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | 52.4 | 105.1 | 135.2 | -59 | 177.6 | 0 | 0 | 0 | 124.3 | | |
| 163 | T | 26.8 | Very low | 31 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | | 80.8 | 147.3 | 122.8 | -34.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 164 | I | 29.2 | Very low | 31.2 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | | | trans | 110.5 | 107.5 | 154.5 | -57 | -176 | 0 | 0 | 0 | 118.9 | | |
| 165 | K | 27.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | 48.3 | 126.2 | 142.5 | -70 | 173.7 | 160.6 | -87.9 | 0 | 124.3 | | |
| 166 | E | 31.9 | Very low | 31 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | | 50 | 133.6 | 124.6 | -57.6 | 174.5 | 115.4 | 0 | 0 | 122.2 | | |
| 167 | P | 38.7 | Very low | 31.9 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 158.6 | 172.3 | 37.4 | -35.2 | 0 | 0 | 0 | 113.5 | | |
| 168 | P | 43.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 140 | 177.2 | 32.9 | -34.3 | 0 | 0 | 0 | 113.5 | | |
| 169 | S | 28.8 | Very low | 32 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 166.4 | 164.7 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 170 | E | 29.4 | Very low | 31.9 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | | 178.8 | 140.6 | 107.1 | -84.4 | -140.7 | 131.5 | 0 | 0 | 111.8 | K172 | E170-K172 WeakPolarHBondContact OE1-CE 3.01Å; E170-K172 IonicContact OE1-NZ 2.72Å; E170-K172 PolarHBondContact OE1-NZ 3.16Å |
| 171 | N | 31 | Very low | 31.8 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | | | trans | -148.1 | 120.8 | 167.4 | -131.5 | -8.6 | 0 | 0 | 0 | 108.4 | | |
| 172 | K | 37 | Very low | 31.9 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | | | trans | -150.8 | 152.7 | -173.5 | -79.4 | 171.7 | -179.3 | 165.3 | 0 | 107.7 | E170 | E170-K172 WeakPolarHBondContact OE1-CE 3.01Å; E170-K172 IonicContact OE1-NZ 2.72Å; E170-K172 PolarHBondContact OE1-NZ 3.16Å |
| 173 | K | 30.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 65% | 0.648 | 75% | 0.75 | S | S | * | * | | | cis | -157.4 | 138.2 | 17 | -137.9 | 173.2 | -172.6 | -78 | 0 | 112.2 | | |
| 174 | E | 32.2 | Very low | 32.1 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | | | trans | 29.4 | 147.2 | 132.4 | -57.7 | 158.9 | -135.3 | 0 | 0 | 123.7 | | |
| 175 | I | 29.6 | Very low | 32.2 | Very low | 161 Ų | 161 | 139 Ų | 139 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | | 179.3 | 144.4 | 104.1 | -89.3 | 164 | 0 | 0 | 0 | 111.4 | | |
| 176 | S | 28.3 | Very low | 32.4 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -116.3 | 158 | -174.4 | -44.7 | 0 | 0 | 0 | 0 | 115 | | |
| 177 | P | 48.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -147.4 | 179.1 | 133.2 | 39.1 | -24.2 | 0 | 0 | 0 | 113.9 | | |
| 178 | D | 30.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | | | cis | -173.4 | 125 | -39.8 | -176.1 | 23.3 | 0 | 0 | 0 | 109.8 | | |
| 179 | K | 29.6 | Very low | 30.9 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | 65.8 | 152.1 | 173.1 | -31.6 | -170.3 | -167.8 | -169.2 | 0 | 118.1 | | |
| 180 | G | 27.5 | Very low | 30.8 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | | | cis | 157.3 | 162.7 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 181 | K | 28.4 | Very low | 30.7 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | | | trans | 86.8 | 165.6 | 173 | -101.6 | -177.3 | 172.3 | -73.8 | 0 | 120.3 | | |
| 182 | E | 30.6 | Very low | 30.4 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | -118.5 | -169.9 | -155.1 | -59.9 | 149.2 | 120.2 | 0 | 0 | 113.8 | | |
| 183 | D | 29.9 | Very low | 30 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | | | trans | 87.7 | 101.3 | 164.2 | -62.7 | -38.6 | 0 | 0 | 0 | 121.5 | | |
| 184 | D | 31.1 | Very low | 29.9 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | | 75.9 | 146.1 | 115.7 | -153.8 | -124.4 | 0 | 0 | 0 | 125.4 | | |
| 185 | S | 30.9 | Very low | 29.9 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | | | trans | 54.8 | 120.3 | 155.9 | -76.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 186 | Q | 31 | Very low | 29.9 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | | | trans | 15.6 | 130.3 | 131.8 | -52.7 | -177.9 | 1.6 | 0 | 0 | 120.3 | | |
| 187 | K | 26.2 | Very low | 29.9 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | | | | 166.2 | 161.3 | 100.7 | -173.9 | 163.3 | 178.4 | -178.1 | 0 | 113.5 | | |
| 188 | S | 28.1 | Very low | 29.2 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | | | trans | -63.1 | 144.8 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 189 | E | 30.3 | Very low | 29.1 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 52.6 | 131.9 | 137 | -61.1 | -179 | 142.4 | 0 | 0 | 121.9 | | |
| 190 | I | 26.7 | Very low | 28.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | | | | -176 | 173.5 | 116.3 | -90 | 155.6 | 0 | 0 | 0 | 108.7 | | |
| 191 | T | 26.4 | Very low | 29 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | trans | -119.6 | 177.6 | -148.2 | 53.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 192 | D | 25.8 | Very low | 28.9 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | 82 | 120.6 | 147.5 | -56.2 | -39.2 | 0 | 0 | 0 | 124.2 | | |
| 193 | E | 28.2 | Very low | 28.7 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | | | trans | 58.5 | 161.9 | 135.8 | -54.9 | -149.8 | 128.3 | 0 | 0 | 121.9 | | |
| 194 | E | 28.9 | Very low | 28.4 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | | | cis | -126.3 | -169.9 | 4.6 | -159.3 | -102.2 | 106.5 | 0 | 0 | 110.7 | Q196 | E194-Q196 WeakPolarHBondContact OE1-CG 3.35Å; E194-Q196 PolarHBondContact OE1-N 2.6Å; E194-Q196 WeakPolarHBondContact OE2-CG 3.5Å; E194-Q196 PolarHBondContact OE2-NE2 3.43Å |
| 195 | A | 30.3 | Very low | 29.2 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | -130.9 | -81 | -175 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 196 | Q | 30.7 | Very low | 29.1 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 59% | 0.589 | 76% | 0.755 | S | S | * | * | | | trans | 60.3 | 140 | -163.3 | -53.9 | -176.2 | 34.8 | 0 | 0 | 114.2 | E194 | E194-Q196 WeakPolarHBondContact OE1-CG 3.35Å; E194-Q196 PolarHBondContact OE1-N 2.6Å; E194-Q196 WeakPolarHBondContact OE2-CG 3.5Å; E194-Q196 PolarHBondContact OE2-NE2 3.43Å |
| 197 | K | 28.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 68% | 0.683 | 75% | 0.752 | S | S | * | * | | | cis | -156.9 | 169.6 | 10.7 | -113.4 | 154.4 | -177.4 | 144.5 | 0 | 106.5 | | |
| 198 | Q | 33.5 | Very low | 29.4 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | | | cis | -159.4 | 166 | 17.6 | -145.8 | 146.8 | 15.9 | 0 | 0 | 111.3 | | |
| 199 | N | 27.8 | Very low | 29.6 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | | | trans | -92.5 | 151.6 | -169.8 | -45.4 | -25.6 | 0 | 0 | 0 | 114.6 | | |
| 200 | K | 26.9 | Very low | 29.8 | Very low | 207 Ų | 207 | 137.4 Ų | 137.4 | 90% | 0.9 | 75% | 0.748 | S | S | * | * | | | | -164.3 | 178.8 | 123.9 | -118.3 | -176.1 | 177.8 | -170.9 | 0 | 114.8 | | |
| 201 | T | 28.3 | Very low | 30.1 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | | | trans | -131.6 | 170.1 | -153.2 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 202 | E | 26.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | 95.7 | 126.6 | 158.3 | -60.5 | 177.4 | -167.9 | 0 | 0 | 120.7 | | |
| 203 | S | 26.4 | Very low | 30.6 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | 61.8 | 120.2 | 151 | 58.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 204 | S | 24.6 | Very low | 30.6 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | | | trans | -70.5 | -179.7 | 149.8 | -26.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 205 | P | 47.5 | Very low | 30.7 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | | | cis | -133.4 | -174.1 | -3 | 42.7 | -26.6 | 0 | 0 | 0 | 113.9 | | |
| 206 | T | 28.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | | | | 178.5 | 138 | 124.9 | 24.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 207 | N | 30.9 | Very low | 30.5 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | | | trans | 48.4 | 141.9 | 137.4 | -55.1 | -13 | 0 | 0 | 0 | 121.7 | | |
| 208 | S | 31.9 | Very low | 30.4 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | cis | -168.2 | -177.3 | -11.6 | 56.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 209 | S | 33.2 | Very low | 30.4 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | | | cis | -145.9 | 179 | 15.7 | -50.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 210 | K | 34.3 | Very low | 30.5 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | | | cis | 70.2 | 140.5 | 24.8 | -94.8 | -176.7 | 161.3 | -74 | 0 | 116.1 | | |
| 211 | E | 33.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 59% | 0.589 | 72% | 0.721 | S | S | * | * | | | cis | -81.3 | -135.2 | -13.3 | -64.8 | -59.8 | -19.2 | 0 | 0 | 109.4 | | |
| 212 | S | 32.3 | Very low | 30.7 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | cis | -164.2 | 142.9 | -7.2 | 31.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 213 | E | 29.8 | Very low | 30.9 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | | | cis | 101.9 | 123.6 | 25.2 | -75.9 | -79.5 | 60.7 | 0 | 0 | 111.9 | | |
| 214 | S | 29 | Very low | 30.9 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | | | cis | -149.4 | 176.5 | -0.3 | -146.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 215 | S | 29.9 | Very low | 31 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | | | cis | -156.2 | 121.7 | 15.4 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 216 | K | 29.7 | Very low | 30.2 | Very low | 141 Ų | 141 | 132 Ų | 132 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | | | | 80.9 | 140.1 | 96 | -78.4 | -166.7 | 173.5 | -72.4 | 0 | 116.2 | | |
| 217 | E | 27.2 | Very low | 30.2 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 59% | 0.593 | 74% | 0.742 | S | S | * | * | | | cis | -174.4 | 171.7 | -17.8 | -138.5 | 168.1 | -147.8 | 0 | 0 | 112.7 | | |
| 218 | M | 26.3 | Very low | 30 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 62% | 0.621 | 74% | 0.736 | S | S | * | * | | | trans | 70.9 | 148.4 | 158.4 | -64.9 | -67.7 | 101.7 | 0 | 0 | 117.8 | E220 | M218-E220 HydrophobicContact SD-CG 3.66Š|
| 219 | P | 34.5 | Very low | 29.7 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 84% | 0.844 | 74% | 0.744 | S | S | * | * | | | | -125.9 | 155.6 | 76.5 | 39 | -31.6 | 0 | 0 | 0 | 116.1 | | |
| 220 | E | 29.7 | Very low | 29.7 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | | | trans | -103.8 | 171.3 | 169.8 | -71.2 | -166.3 | 106.7 | 0 | 0 | 113 | M218 | M218-E220 HydrophobicContact SD-CG 3.66Š|
| 221 | K | 29.9 | Very low | 29.6 | Very low | 202 Ų | 202 | 128.5 Ų | 128.5 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | | | trans | -138.1 | 100.5 | 170.7 | -178.3 | -174.2 | 179.8 | 179.5 | 0 | 112 | | |
| 222 | Q | 29.9 | Very low | 29.8 | Very low | 187 Ų | 187 | 126.9 Ų | 126.9 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -174.6 | 140.5 | 164.6 | -106.8 | -174.9 | 83 | 0 | 0 | 108 | | |
| 223 | T | 30 | Very low | 29.4 | Very low | 101 Ų | 101 | 128 Ų | 128 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | cis | -147.8 | 172.1 | 3 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 224 | K | 27.8 | Very low | 29.3 | Very low | 205 Ų | 205 | 124.4 Ų | 124.4 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | | | trans | 77.7 | 144.2 | 159.5 | -60.2 | 177.1 | -175.5 | 178.2 | 0 | 119.9 | | |
| 225 | G | 25.6 | Very low | 29.3 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | trans | 118.3 | 81.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 226 | A | 31.3 | Very low | 29.2 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | | | trans | -65.1 | 163.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 227 | A | 27.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | | | trans | 80.1 | 146.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 228 | G | 27.3 | Very low | 30.5 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | 108.9 | 110.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 229 | D | 26.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 126 Ų | 126 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | | | trans | 41.3 | 155 | 133.2 | -68.6 | -102.8 | 0 | 0 | 0 | 124.8 | | |
| 230 | A | 33.1 | Very low | 30.6 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | -73.7 | 173.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 231 | P | 32.3 | Very low | 30.6 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | | | cis | -140 | -162.8 | 22.1 | 42.8 | -22.2 | 0 | 0 | 0 | 114.5 | | |
| 232 | A | 37.4 | Very low | 30.5 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | trans | -79.9 | 143.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 233 | D | 23.2 | Very low | 30.4 | Very low | 132 Ų | 132 | 123 Ų | 123 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | | | trans | -144 | 163.3 | 152 | -164.7 | 13.5 | 0 | 0 | 0 | 109.3 | P249 | D233-P249 WeakPolarHBondContact OD1-CD 3.31Å; D233-P249 VanDerWaalsContact OD1-CG 3.23Å; D233-P249 WeakPolarHBondContact OD1-CG 3.31Å |
| 234 | C | 27.7 | Very low | 30.6 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 47% | 0.466 | 71% | 0.713 | S | S | . | * | | | trans | -128.4 | 167.9 | -161.7 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | P249 | C234-P249 HydrophobicContact CB-CB 3.99Å; C234-P249 HydrophobicContact CB-CG 4.01Å |
| 235 | S | 30 | Very low | 30.7 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | | | trans | 67 | 122.6 | 158 | -58.9 | 0 | 0 | 0 | 0 | 118.8 | G247 S248 | S235-G247 WeakPolarHBondContact CB-O 3.41Å; S235-G247 PolarHBondContact OG-O 3.13Å; S235-S248 PolarHBondContact OG-N 3.22Å |
| 236 | R | 26.6 | Very low | 30.9 | Very low | 165 Ų | 165 | 112.4 Ų | 112.4 | 62% | 0.623 | 67% | 0.67 | S | S | * | * | | | | -167.6 | 104.7 | 128.4 | -106.3 | 155.5 | -176.3 | -102.1 | -20.9 | 112.1 | D245 G246 | R236-D245 WeakPolarHBondContact CG-OD2 3.25Å; R236-D245 VanDerWaalsContact CZ-CG 3.43Å; R236-D245 IonicContact CZ-OD1 2.57Å; R236-D245 IonicContact CZ-OD2 3.02Å; R236-D245 IonicContact NE-OD2 2.87Å; R236-D245 IonicContact NH1-OD1 2.74Å; R236-D245 PolarHBondContact NH1-OD1 2.69Å; R236-D245 IonicContact NH1-OD2 2.7Å; R236-D245 PolarHBondContact NH1-OD2 3.42Å; R236-D245 IonicContact NH2-OD1 2.62Å; R236-D245 PolarHBondContact NH2-OD1 3.19Å; R236-D245 IonicContact NH2-OD2 2.77Å; R236-G246 VanDerWaalsContact CZ-O 3.29Å; R236-G246 PolarHBondContact NE-O 2.71Å; R236-G246 VanDerWaalsContact NE-O 3.09Å; R236-G246 PolarHBondContact NH2-O 2.9Å |
| 237 | K | 53.2 | Low | 30.6 | Very low | 194 Ų | 194 | 109.6 Ų | 109.6 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | | | trans | -86 | 132.9 | 155.9 | -78 | -175.4 | 177.2 | 179.2 | 0 | 108.4 | | |
| 238 | P | 31.7 | Very low | 30.7 | Very low | 89 Ų | 89 | 109 Ų | 109 | 58% | 0.578 | 64% | 0.64 | S | S | * | * | | | trans | -124.7 | 145.2 | 146.5 | 35.1 | -25.9 | 0 | 0 | 0 | 112.3 | | |
| 239 | E | 32.8 | Very low | 31.6 | Very low | 96 Ų | 96 | 108.7 Ų | 108.7 | 45% | 0.449 | 63% | 0.626 | S | S | . | * | | | trans | -73.6 | 155.3 | -178 | -55.6 | 146.5 | 80.6 | 0 | 0 | 113.7 | R242 N243 G244 | E239-R242 PolarHBondContact OE1-N 2.97Å; E239-N243 PolarHBondContact OE1-N 3.11Å; E239-N243 WeakPolarHBondContact OE2-CA 3.21Å; E239-N243 PolarHBondContact OE2-N 3.12Å; E239-G244 VanDerWaalsContact OE2-CA 3.24Å; E239-G244 WeakPolarHBondContact OE2-CA 3.44Å; E239-G244 PolarHBondContact OE2-N 2.78Å |
| 240 | Q | 30.6 | Very low | 32.4 | Very low | 184 Ų | 184 | 106 Ų | 106 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | S | Bend | | -128.6 | 132.4 | 112.4 | -61.3 | -173.3 | 11.4 | 0 | 0 | 106.5 | | |
| 241 | V | 28.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 109.9 Ų | 109.9 | 78% | 0.782 | 62% | 0.62 | S | S | * | * | S | Bend | cis | -116.8 | 125.9 | 13.5 | 174.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 242 | R | 28.5 | Very low | 32.2 | Very low | 196 Ų | 196 | 113 Ų | 113 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | S | Bend | cis | -160.3 | 77.1 | 26.1 | -153.7 | 179.9 | -163 | -146.3 | 5.2 | 116.1 | E239 | E239-R242 PolarHBondContact OE1-N 2.97Š|
| 243 | N | 26.6 | Very low | 31.9 | Very low | 128 Ų | 128 | 112 Ų | 112 | 68% | 0.684 | 62% | 0.624 | S | S | * | * | | | trans | 67.5 | 122.5 | 162.5 | -30.9 | -29.1 | 0 | 0 | 0 | 116.5 | E239 | E239-N243 PolarHBondContact OE1-N 3.11Å; E239-N243 WeakPolarHBondContact OE2-CA 3.21Å; E239-N243 PolarHBondContact OE2-N 3.12Å |
| 244 | G | 34.9 | Very low | 32.4 | Very low | 43 Ų | 43 | 110.5 Ų | 110.5 | 44% | 0.443 | 63% | 0.629 | S | S | . | * | | | cis | 164.9 | 146.9 | -13.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E239 | E239-G244 VanDerWaalsContact OE2-CA 3.24Å; E239-G244 WeakPolarHBondContact OE2-CA 3.44Å; E239-G244 PolarHBondContact OE2-N 2.78Å |
| 245 | D | 30 | Very low | 32.9 | Very low | 90 Ų | 90 | 119 Ų | 119 | 48% | 0.481 | 65% | 0.652 | S | S | . | * | | | trans | 72.2 | 142.9 | 166.5 | -159.3 | -123.6 | 0 | 0 | 0 | 117.3 | R236 | R236-D245 WeakPolarHBondContact CG-OD2 3.25Å; R236-D245 VanDerWaalsContact CZ-CG 3.43Å; R236-D245 IonicContact CZ-OD1 2.57Å; R236-D245 IonicContact CZ-OD2 3.02Å; R236-D245 IonicContact NE-OD2 2.87Å; R236-D245 IonicContact NH1-OD1 2.74Å; R236-D245 PolarHBondContact NH1-OD1 2.69Å; R236-D245 IonicContact NH1-OD2 2.7Å; R236-D245 PolarHBondContact NH1-OD2 3.42Å; R236-D245 IonicContact NH2-OD1 2.62Å; R236-D245 PolarHBondContact NH2-OD1 3.19Å; R236-D245 IonicContact NH2-OD2 2.77Å |
| 246 | G | 29 | Very low | 33.1 | Very low | 31 Ų | 31 | 126.6 Ų | 126.6 | 32% | 0.32 | 67% | 0.67 | S | S | . | * | | | cis | 166.7 | 112.6 | -14.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R236 | R236-G246 VanDerWaalsContact CZ-O 3.29Å; R236-G246 PolarHBondContact NE-O 2.71Å; R236-G246 VanDerWaalsContact NE-O 3.09Å; R236-G246 PolarHBondContact NH2-O 2.9Å |
| 247 | G | 26.2 | Very low | 33.3 | Very low | 45 Ų | 45 | 130.6 Ų | 130.6 | 46% | 0.464 | 69% | 0.685 | S | S | . | * | | | trans | 171.9 | -176.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | S235 | S235-G247 WeakPolarHBondContact CB-O 3.41Å; S235-G247 PolarHBondContact OG-O 3.13Å |
| 248 | S | 29 | Very low | 32.3 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | | | cis | -164.4 | 164.3 | -20.8 | -83.1 | 0 | 0 | 0 | 0 | 109.7 | S235 | S235-S248 PolarHBondContact OG-N 3.22Š|
| 249 | P | 46 | Very low | 32.4 | Very low | 57 Ų | 57 | 135 Ų | 135 | 37% | 0.37 | 70% | 0.696 | S | S | . | * | | | trans | -95.7 | -163.2 | 171.9 | 42.3 | -35.8 | 0 | 0 | 0 | 111 | D233 C234 | D233-P249 WeakPolarHBondContact OD1-CD 3.31Å; D233-P249 VanDerWaalsContact OD1-CG 3.23Å; D233-P249 WeakPolarHBondContact OD1-CG 3.31Å; C234-P249 HydrophobicContact CB-CB 3.99Å; C234-P249 HydrophobicContact CB-CG 4.01Å |
| 250 | P | 43.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | | | cis | -141.8 | -178.5 | 3.2 | 43.7 | -24.4 | 0 | 0 | 0 | 118.6 | | |
| 251 | Q | 30.1 | Very low | 33.6 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | | | trans | 79.5 | 145.5 | 143.9 | -120.7 | 174.6 | -13.2 | 0 | 0 | 123.6 | | |
| 252 | E | 31 | Very low | 33.7 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | | | trans | 55.8 | 166.1 | 169.9 | -51.5 | -159.4 | 138.4 | 0 | 0 | 116.6 | | |
| 253 | G | 31.3 | Very low | 33.9 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | | | cis | 174.4 | 158.5 | -8.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 254 | A | 33.8 | Very low | 34.3 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | | | cis | -159.9 | -162.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 255 | R | 36.8 | Very low | 34.3 | Very low | 247 Ų | 247 | 141 Ų | 141 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | | | trans | -139.3 | 149.8 | 167.6 | -71.7 | -171.5 | 177.7 | -161.2 | -1 | 111.3 | | |
| 256 | R | 34.1 | Very low | 34.3 | Very low | 225 Ų | 225 | 145.9 Ų | 145.9 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | | | trans | -126.8 | 139 | 174.4 | -74.1 | -174.4 | 177.3 | -101.2 | 3.9 | 113 | | |
| 257 | R | 31.6 | Very low | 34.4 | Very low | 249 Ų | 249 | 148.6 Ų | 148.6 | 94% | 0.94 | 76% | 0.758 | S | S | * | * | | | trans | -134 | 138.2 | 151.9 | -78.4 | -173.6 | 173.7 | -134.7 | 1.6 | 105.6 | | |
| 258 | N | 32.5 | Very low | 34.8 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | -106.9 | 140.7 | -179.4 | -71.2 | -3 | 0 | 0 | 0 | 111.1 | | |
| 259 | R | 32.7 | Very low | 34.9 | Very low | 234 Ų | 234 | 153.5 Ų | 153.5 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | trans | -139.4 | 131.1 | 166.4 | 173.6 | -176.6 | 177.7 | 175.9 | 2.9 | 106.9 | | |
| 260 | P | 44.4 | Very low | 34.1 | Very low | 119 Ų | 119 | 158 Ų | 158 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -77.8 | 142.6 | 176.1 | 30.7 | -33.1 | 0 | 0 | 0 | 112 | | |
| 261 | P | 44 | Very low | 33.4 | Very low | 130 Ų | 130 | 162.8 Ų | 162.8 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | trans | -110.3 | -174.8 | 172.6 | 41.4 | -33.5 | 0 | 0 | 0 | 112.6 | | |
| 262 | A | 32 | Very low | 33.4 | Very low | 94 Ų | 94 | 161.7 Ų | 161.7 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | -112.4 | 151 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 263 | H | 32.1 | Very low | 33.4 | Very low | 132 Ų | 132 | 159.7 Ų | 159.7 | 61% | 0.611 | 77% | 0.772 | S | S | * | * | | | trans | 56.5 | 125.4 | 141.5 | 168.1 | -75.1 | 0 | 0 | 0 | 122.3 | R265 | H263-R265 PolarHBondContact CE1-NE 2.94Š|
| 264 | R | 35.6 | Very low | 33.3 | Very low | 225 Ų | 225 | 168 Ų | 168 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | | | trans | -172.8 | 131.4 | 140.1 | -96.6 | 149.2 | -165.7 | -110.4 | 1.9 | 108.4 | | |
| 265 | R | 33.8 | Very low | 33.2 | Very low | 201 Ų | 201 | 171.9 Ų | 171.9 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | | | | 72.2 | 150.5 | 70.1 | -71.9 | -170.4 | -172.8 | -172.3 | 2.9 | 114.5 | H263 | H263-R265 PolarHBondContact CE1-NE 2.94Š|
| 266 | R | 30.5 | Very low | 32.8 | Very low | 193 Ų | 193 | 162.9 Ų | 162.9 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | cis | -100.6 | -127.5 | 11.8 | -145.9 | -172.2 | -157.5 | -48.9 | 14 | 112.3 | E268 | R266-E268 WeakPolarHBondContact CD-OE2 3.47Å; R266-E268 WeakPolarHBondContact CG-OE2 3.49Å; R266-E268 IonicContact CZ-OE1 3.36Å; R266-E268 IonicContact CZ-OE2 2.69Å; R266-E268 IonicContact NE-OE1 3.54Å; R266-E268 PolarHBondContact NE-OE1 3.31Å; R266-E268 IonicContact NE-OE2 2.85Å; R266-E268 PolarHBondContact NE-OE2 3.04Å; R266-E268 IonicContact NH1-OE1 3.12Å; R266-E268 PolarHBondContact NH1-OE1 2.94Å; R266-E268 IonicContact NH1-OE2 3.38Å; R266-E268 PolarHBondContact NH1-OE2 3.48Å; R266-E268 IonicContact NH2-OE1 3.61Å; R266-E268 PolarHBondContact NH2-OE1 3.04Å |
| 267 | A | 32 | Very low | 32.5 | Very low | 89 Ų | 89 | 159.2 Ų | 159.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | cis | -167.9 | 169 | -4.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 268 | E | 33.6 | Very low | 32.6 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 48% | 0.481 | 75% | 0.75 | S | S | . | * | | | cis | -170.8 | 154.1 | -37.8 | -155 | 69.6 | -179.9 | 0 | 0 | 111 | R266 | R266-E268 WeakPolarHBondContact CD-OE2 3.47Å; R266-E268 WeakPolarHBondContact CG-OE2 3.49Å; R266-E268 IonicContact CZ-OE1 3.36Å; R266-E268 IonicContact CZ-OE2 2.69Å; R266-E268 IonicContact NE-OE1 3.54Å; R266-E268 PolarHBondContact NE-OE1 3.31Å; R266-E268 IonicContact NE-OE2 2.85Å; R266-E268 PolarHBondContact NE-OE2 3.04Å; R266-E268 IonicContact NH1-OE1 3.12Å; R266-E268 PolarHBondContact NH1-OE1 2.94Å; R266-E268 IonicContact NH1-OE2 3.38Å; R266-E268 PolarHBondContact NH1-OE2 3.48Å; R266-E268 IonicContact NH2-OE1 3.61Å; R266-E268 PolarHBondContact NH2-OE1 3.04Å |
| 269 | L | 32.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | 72.8 | 147.6 | 164.4 | -52.5 | -178 | 0 | 0 | 0 | 119.8 | | |
| 270 | Q | 28.7 | Very low | 32.5 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | | | cis | -169.1 | 163.8 | -28.2 | -163.2 | 165.9 | 19.6 | 0 | 0 | 110.2 | | |
| 271 | R | 29.2 | Very low | 32.2 | Very low | 209 Ų | 209 | 148.5 Ų | 148.5 | 79% | 0.789 | 75% | 0.745 | S | S | * | * | | | trans | 92.3 | 123.5 | 177.3 | -56 | 178.1 | -167.9 | -81.5 | 1.3 | 113.3 | | |
| 272 | E | 30.3 | Very low | 32 | Very low | 148 Ų | 148 | 149 Ų | 149 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | cis | 98.8 | 103.2 | 41.3 | -76.3 | 172.9 | 133.5 | 0 | 0 | 112.4 | | |
| 273 | D | 30.6 | Very low | 32 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | | | trans | 36.5 | 115.1 | 145.8 | -47.4 | -9.7 | 0 | 0 | 0 | 120.4 | | |
| 274 | R | 29.9 | Very low | 32.2 | Very low | 246 Ų | 246 | 151.6 Ų | 151.6 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | | | | -174.5 | 160.5 | 94.3 | -101.7 | -177.8 | 174.9 | -145.1 | -6.1 | 116.8 | | |
| 275 | H | 31.1 | Very low | 32.1 | Very low | 183 Ų | 183 | 144 Ų | 144 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | | | trans | -74 | 151.7 | 176.9 | -164.1 | -52 | 0 | 0 | 0 | 113.4 | | |
| 276 | G | 28.7 | Very low | 32.2 | Very low | 58 Ų | 58 | 146.2 Ų | 146.2 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | | | trans | 115.4 | 114.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 277 | D | 26.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | | 79.4 | 131.7 | 63.8 | -81.7 | -49.8 | 0 | 0 | 0 | 115.1 | | |
| 278 | S | 33.1 | Very low | 32.3 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | 76.2 | 150.1 | 156.8 | -62.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 279 | E | 30.1 | Very low | 32.5 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 70.4 | 91.8 | 138.2 | 71 | -162 | 84.8 | 0 | 0 | 123.7 | | |
| 280 | S | 34.2 | Very low | 32.8 | Very low | 98 Ų | 98 | 157 Ų | 157 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | | 62.2 | 133.6 | 119.5 | 68.4 | 0 | 0 | 0 | 0 | 124 | | |
| 281 | D | 37.3 | Very low | 33.6 | Very low | 154 Ų | 154 | 155.4 Ų | 155.4 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | 48.8 | 108.3 | 139.9 | -77.5 | -56.2 | 0 | 0 | 0 | 121.9 | | |
| 282 | T | 39.8 | Very low | 34.3 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | -133.3 | 82.5 | 149.2 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 283 | N | 32.1 | Very low | 34.7 | Very low | 137 Ų | 137 | 155.8 Ų | 155.8 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -15.5 | 127.6 | 149.4 | 155.6 | 46.6 | 0 | 0 | 0 | 117.8 | G285 | N283-G285 PolarHBondContact OD1-N 3.06Š|
| 284 | T | 37.5 | Very low | 35 | Very low | 142 Ų | 142 | 156 Ų | 156 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | | | trans | -137.9 | 78 | 143.5 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 285 | G | 33.5 | Very low | 35.3 | Very low | 65 Ų | 65 | 149.9 Ų | 149.9 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | trans | -83.8 | -170.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | N283 | N283-G285 PolarHBondContact OD1-N 3.06Š|
| 286 | R | 34.8 | Very low | 35.8 | Very low | 249 Ų | 249 | 151.7 Ų | 151.7 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | trans | -142.2 | 150.6 | 161.7 | -140.2 | 172.7 | -172 | 176.9 | 2.6 | 109.8 | | |
| 287 | C | 30.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 155.1 Ų | 155.1 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -132.5 | 167.5 | -162.8 | -75.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 288 | L | 33.5 | Very low | 36.8 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | 81 | 140 | 172.3 | -48.4 | 172.5 | 0 | 0 | 0 | 114.1 | | |
| 289 | R | 39.2 | Very low | 37 | Very low | 247 Ų | 247 | 159.1 Ų | 159.1 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | cis | -122 | 162.5 | 20.7 | -70.6 | 176.4 | 167.9 | 172.1 | -3.9 | 114.4 | | |
| 290 | R | 37 | Very low | 37.2 | Very low | 233 Ų | 233 | 160.5 Ų | 160.5 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | | | trans | -109 | 151.9 | 174.8 | -63.8 | 174.3 | 173 | 171.9 | -4 | 111.2 | | |
| 291 | S | 45.2 | Very low | 37.2 | Very low | 119 Ų | 119 | 160.3 Ų | 160.3 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | | | trans | -148.2 | 115.9 | 144.1 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 292 | P | 45.1 | Very low | 37 | Very low | 109 Ų | 109 | 159.7 Ų | 159.7 | 71% | 0.708 | 83% | 0.833 | S | S | * | * | | | trans | -101.8 | 136.3 | 176.4 | 34.8 | -29.1 | 0 | 0 | 0 | 112.1 | | |
| 293 | R | 38.8 | Very low | 36.7 | Very low | 256 Ų | 256 | 161.2 Ų | 161.2 | 97% | 0.966 | 83% | 0.83 | S | S | * | * | | | trans | -134.2 | 136.8 | 157.6 | -80.5 | -174.1 | 172 | 157 | -1.6 | 109 | | |
| 294 | I | 36.8 | Very low | 36.9 | Very low | 150 Ų | 150 | 160.7 Ų | 160.7 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | | | trans | -131.4 | 137.2 | -172.5 | -60.4 | 170.3 | 0 | 0 | 0 | 108.4 | | |
| 295 | S | 36.3 | Very low | 36.7 | Very low | 117 Ų | 117 | 161.5 Ų | 161.5 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -147.4 | 91.2 | 155.7 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 296 | R | 40.6 | Very low | 36.5 | Very low | 222 Ų | 222 | 164.9 Ų | 164.9 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 130 | 168.7 | -81.8 | 177 | 153.2 | 176.5 | -8.2 | 109.4 | | |
| 297 | P | 40.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 160.9 Ų | 160.9 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 141.1 | 164.5 | -19 | 32.5 | 0 | 0 | 0 | 110.7 | | |
| 298 | T | 37.2 | Very low | 36.6 | Very low | 131 Ų | 131 | 163.5 Ų | 163.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 137.2 | -179.7 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 299 | Q | 37.1 | Very low | 36.4 | Very low | 195 Ų | 195 | 162.7 Ų | 162.7 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 133.8 | 166.7 | -71.6 | 179 | -21.6 | 0 | 0 | 109.6 | | |
| 300 | K | 34.7 | Very low | 35.9 | Very low | 200 Ų | 200 | 158 Ų | 158 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -84.5 | 115.3 | 175 | -72.1 | -178.3 | 177.6 | 177.6 | 0 | 110 | | |
| 301 | A | 33.3 | Very low | 35.6 | Very low | 93 Ų | 93 | 154.3 Ų | 154.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -68.5 | 146.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 302 | V | 34 | Very low | 35 | Very low | 141 Ų | 141 | 156 Ų | 156 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | trans | -107 | 109.6 | 163.5 | 174.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 303 | E | 33 | Very low | 35.1 | Very low | 175 Ų | 175 | 156.2 Ų | 156.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -104.3 | 127.8 | -178.2 | -171.4 | -175.1 | 164.4 | 0 | 0 | 110.5 | | |
| 304 | V | 36.7 | Very low | 35.3 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -127.5 | 94.5 | 166.4 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 305 | Q | 32.4 | Very low | 35.1 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 25.8 | 128.6 | 146.2 | -55.1 | -179.8 | 1.8 | 0 | 0 | 118.3 | | |
| 306 | E | 29.5 | Very low | 35.4 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | | -172.3 | 131.5 | 89.1 | -89.6 | -156.9 | 159.5 | 0 | 0 | 113.3 | | |
| 307 | K | 35.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 146 Ų | 146 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | 52.8 | 148 | 140.8 | -57.1 | 165.3 | -167.5 | 155 | 0 | 121.1 | | |
| 308 | K | 33.8 | Very low | 34.5 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | | | cis | -178.7 | 141.1 | -21.8 | -169.4 | -171.1 | 172.8 | -158.5 | 0 | 108.2 | | |
| 309 | M | 29 | Very low | 34.2 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | 65.9 | 143.8 | 175.6 | -63.6 | 129.5 | 63 | 0 | 0 | 114.1 | | |
| 310 | E | 28.9 | Very low | 33.7 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | cis | -158.2 | -171 | -8.6 | -116.1 | -165.7 | -46.6 | 0 | 0 | 106.9 | | |
| 311 | K | 30.6 | Very low | 33.6 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | | | cis | -153.9 | -157.6 | 16.2 | -147.5 | 156.2 | -178.1 | 68.3 | 0 | 111.9 | | |
| 312 | L | 31.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | | | trans | -156.8 | 178.1 | -174.8 | -81 | 178.6 | 0 | 0 | 0 | 108.2 | | |
| 313 | P | 47.7 | Very low | 33.3 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | cis | -127.3 | -146.4 | -22.9 | 32.7 | -8 | 0 | 0 | 0 | 108.9 | | |
| 314 | P | 43.6 | Very low | 33.1 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | | | cis | -137.8 | 171.1 | -6.6 | 44.1 | -25.8 | 0 | 0 | 0 | 118.7 | | |
| 315 | T | 32.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | | | trans | -83.8 | -170.9 | 159.8 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 316 | P | 42.3 | Very low | 32.8 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 59% | 0.591 | 69% | 0.687 | S | S | * | * | | | | -163 | 175.2 | 83 | 45.3 | -24.8 | 0 | 0 | 0 | 119.5 | | |
| 317 | F | 27.6 | Very low | 32.8 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | | | trans | 71.9 | 146.7 | 149.4 | -63 | -37.9 | 0 | 0 | 0 | 121.5 | | |
| 318 | A | 33.5 | Very low | 32.5 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 55% | 0.554 | 69% | 0.687 | S | S | * | * | | | cis | -168.9 | 162.1 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 319 | Q | 31.7 | Very low | 32.2 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | | | trans | 69.4 | 156.4 | 145.1 | -78.2 | 170.6 | -76.2 | 0 | 0 | 119.7 | | |
| 320 | D | 27.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 57% | 0.567 | 69% | 0.689 | S | S | * | * | | | cis | -158 | 164.9 | 2.2 | -125.2 | -25.7 | 0 | 0 | 0 | 113.7 | | |
| 321 | H | 30.8 | Very low | 32.3 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | | | trans | 49.4 | 151.5 | 151.4 | -78.7 | -68.7 | 0 | 0 | 0 | 122 | | |
| 322 | D | 30.6 | Very low | 32.2 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | | | cis | -174.8 | 162.4 | -19 | -151.8 | -11.5 | 0 | 0 | 0 | 110.5 | | |
| 323 | K | 30.6 | Very low | 32 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | trans | 64.2 | 155.3 | 157.6 | -69.5 | 176.5 | -177.8 | 87 | 0 | 119.8 | | |
| 324 | D | 30.2 | Very low | 31.1 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 58% | 0.578 | 71% | 0.708 | S | S | * | * | | | cis | -158.5 | 149.9 | -7 | -123.9 | -47.6 | 0 | 0 | 0 | 111.5 | | |
| 325 | Q | 31.4 | Very low | 30.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | | | trans | 62.5 | 145.9 | 151.5 | -77.4 | 155.6 | 64.1 | 0 | 0 | 120.5 | | |
| 326 | D | 30 | Very low | 30.3 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 58% | 0.578 | 70% | 0.699 | S | S | * | * | | | cis | -161.3 | 159.3 | 3.9 | -140.9 | -18.5 | 0 | 0 | 0 | 114.9 | | |
| 327 | K | 30.3 | Very low | 29.8 | Very low | 153 Ų | 153 | 145 Ų | 145 | 67% | 0.665 | 70% | 0.704 | S | S | * | * | | | trans | 65.4 | 114.4 | 158.3 | -67.9 | 176 | -179.4 | 71.2 | 0 | 119.7 | | |
| 328 | K | 28.1 | Very low | 29.8 | Very low | 159 Ų | 159 | 143 Ų | 143 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | | 79.3 | 138.3 | 84.9 | -79.1 | 179.5 | 142.5 | -107 | 0 | 113.8 | | |
| 329 | E | 28.1 | Very low | 29.6 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | | | cis | -152.5 | 143.3 | -5.6 | -96.6 | 149.7 | 143.5 | 0 | 0 | 105.9 | | |
| 330 | E | 30.4 | Very low | 29.5 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | | | | 51.9 | 136 | 80 | -73.9 | 179.5 | 173.7 | 0 | 0 | 115.5 | | |
| 331 | E | 28.9 | Very low | 29.6 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | | | cis | -109.1 | -100.9 | 11 | -164.1 | 157.7 | -156.5 | 0 | 0 | 116.2 | | |
| 332 | E | 28.4 | Very low | 29.4 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | | | cis | -158.5 | -178.2 | 6.3 | -160 | 170.3 | -135.7 | 0 | 0 | 110.9 | | |
| 333 | E | 28.5 | Very low | 29.5 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | | | trans | -99.3 | 175.9 | -168.9 | -94.8 | -177.4 | 174.2 | 0 | 0 | 115.6 | | |
| 334 | E | 29.4 | Very low | 29.7 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | | | cis | -162.6 | -175.3 | -30.2 | -140.5 | -162.8 | -170.8 | 0 | 0 | 109.6 | | |
| 335 | E | 30.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | | | trans | 4.9 | 162.7 | 157.5 | -68.5 | -148.7 | 138.8 | 0 | 0 | 124.6 | | |
| 336 | K | 27.3 | Very low | 30.3 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | cis | -155.7 | -178.6 | 4.4 | -135.3 | -178.7 | -176.9 | 83.5 | 0 | 111.8 | | |
| 337 | A | 30.5 | Very low | 30.4 | Very low | 86 Ų | 86 | 152.4 Ų | 152.4 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | -102.6 | 170.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 338 | D | 29.1 | Very low | 30.5 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | | | | 106.5 | 156.9 | 127.8 | -131 | -27 | 0 | 0 | 0 | 123.3 | | |
| 339 | V | 28.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | | | trans | 72.1 | 96.8 | 159.3 | -167.1 | 0 | 0 | 0 | 0 | 123.3 | | |
| 340 | K | 29.9 | Very low | 31 | Very low | 185 Ų | 185 | 153.3 Ų | 153.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | | 15.7 | 121.7 | 128 | -72.9 | 173.8 | 178.2 | 167.5 | 0 | 123.2 | | |
| 341 | T | 29.3 | Very low | 30.9 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | | | | 38.1 | 139.5 | 125.7 | 67.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 342 | V | 27.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | | | | 179.1 | 120.2 | 128 | 141.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 343 | Q | 31.7 | Very low | 30.9 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | | | trans | 53.8 | 146.4 | 142.6 | -55.3 | 177.6 | 18.1 | 0 | 0 | 127.7 | | |
| 344 | K | 34.8 | Very low | 30.8 | Very low | 170 Ų | 170 | 144 Ų | 144 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | | | | 107.9 | 105.9 | 129.5 | -91.6 | 153 | 177.7 | 152.3 | 0 | 124 | | |
| 345 | K | 31 | Very low | 30.8 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | | | | 62.7 | 174 | 126 | -96.6 | 179.9 | -179.4 | 177.8 | 0 | 120.3 | | |
| 346 | P | 42.7 | Very low | 30.7 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | | | cis | -139.5 | 167.5 | -8.7 | 37.3 | -17.9 | 0 | 0 | 0 | 119.4 | | |
| 347 | K | 32.1 | Very low | 31.3 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | trans | 65.5 | 158 | 149.5 | -74.5 | 173.3 | 163.8 | -92.3 | 0 | 118.8 | | |
| 348 | E | 32.5 | Very low | 31.5 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 56% | 0.556 | 75% | 0.745 | S | S | * | * | | | cis | -170.2 | -179 | -8.9 | -106.5 | 171.8 | 162.8 | 0 | 0 | 108 | | |
| 349 | K | 34.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | cis | -170.3 | 159.8 | 6.6 | -125.7 | 157.6 | -172.8 | 149.5 | 0 | 111.7 | | |
| 350 | K | 32.3 | Very low | 32.3 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | | | trans | 67 | 153.7 | 154 | -75 | -166.8 | 174.1 | -165.8 | 0 | 119.5 | | |
| 351 | A | 28 | Very low | 32.1 | Very low | 73 Ų | 73 | 143 Ų | 143 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | | | cis | -169.9 | 151.9 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 352 | D | 26.8 | Very low | 32.5 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | 45.1 | 156.4 | 145.1 | -63.3 | -82.8 | 0 | 0 | 0 | 122.1 | | |
| 353 | Q | 31.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | cis | -161.2 | 145.4 | 0.9 | -124.6 | 154.6 | 47.7 | 0 | 0 | 112.3 | | |
| 354 | E | 26.6 | Very low | 32.8 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | | 51.7 | 138.4 | 126.6 | -165.3 | 168.6 | -141.4 | 0 | 0 | 125 | | |
| 355 | G | 28 | Very low | 32.7 | Very low | 76 Ų | 76 | 155.7 Ų | 155.7 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | trans | 162.8 | 118.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 356 | Q | 29.1 | Very low | 32.7 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -109.6 | 178.3 | 162.7 | -81.3 | -100.3 | -18.4 | 0 | 0 | 108.9 | | |
| 357 | P | 40.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | cis | -147.9 | -158.8 | 20.6 | 44.9 | -22 | 0 | 0 | 0 | 117 | | |
| 358 | K | 34.6 | Very low | 31.9 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | -93.7 | 158.6 | 173.4 | -55.5 | 173.7 | -178.4 | 177 | 0 | 113.1 | | |
| 359 | P | 43 | Very low | 31.8 | Very low | 127 Ų | 127 | 162.5 Ų | 162.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | | -155.1 | 161.8 | 119.7 | 37.1 | -17.9 | 0 | 0 | 0 | 120.8 | | |
| 360 | K | 30.6 | Very low | 31.7 | Very low | 213 Ų | 213 | 159.7 Ų | 159.7 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | | | trans | -46.1 | 153.8 | 169.5 | -50.7 | 144.2 | -177.7 | 173.6 | 0 | 115.4 | | |
| 361 | G | 27.4 | Very low | 31.5 | Very low | 72 Ų | 72 | 157 Ų | 157 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | cis | 134 | 172.3 | 27 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 362 | R | 36.3 | Very low | 31.6 | Very low | 230 Ų | 230 | 159.6 Ų | 159.6 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | 77.3 | 158.3 | 171.6 | -77.7 | 177.7 | 159.4 | -174.3 | -4.5 | 117.8 | | |
| 363 | K | 32.4 | Very low | 32 | Very low | 146 Ų | 146 | 164.7 Ų | 164.7 | 64% | 0.635 | 79% | 0.787 | S | S | * | * | | | cis | -165.2 | 144.4 | 16.2 | -133.2 | 167.9 | -176.6 | 176 | 0 | 114.3 | | |
| 364 | R | 34.4 | Very low | 31.9 | Very low | 225 Ų | 225 | 162.8 Ų | 162.8 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | | | trans | 68.2 | 153.9 | 154.6 | -71.6 | 169.7 | 174 | -169.5 | -4.2 | 119.2 | | |
| 365 | R | 32.8 | Very low | 32.1 | Very low | 225 Ų | 225 | 163.1 Ų | 163.1 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | | | cis | -125.7 | -134.2 | 2.8 | -143.2 | -173.5 | 171.2 | 159.8 | -2.9 | 111 | | |
| 366 | R | 30.8 | Very low | 32.3 | Very low | 217 Ų | 217 | 170 Ų | 170 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | | | cis | -133.5 | -123.5 | -3.7 | -158.8 | -154.5 | 167.1 | 155.2 | -3.5 | 112.7 | | |
| 367 | T | 31.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 168.7 Ų | 168.7 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | trans | -176.5 | 162.4 | -163.9 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 368 | R | 26.3 | Very low | 32.1 | Very low | 187 Ų | 187 | 173 Ų | 173 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | cis | -177.9 | 140.1 | -7.3 | 168.3 | -176 | -175.5 | 162.1 | 4.8 | 105.3 | | |
| 369 | W | 29.3 | Very low | 31.8 | Very low | 217 Ų | 217 | 171.7 Ų | 171.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | | 175.2 | -175.5 | 91.4 | -127.4 | -51.7 | 0 | 0 | 0 | 109.9 | | |
| 370 | S | 33.2 | Very low | 30.8 | Very low | 90 Ų | 90 | 171.2 Ų | 171.2 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | trans | -135.2 | 146.2 | -174.9 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 371 | N | 28.3 | Very low | 30.6 | Very low | 143 Ų | 143 | 165.6 Ų | 165.6 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | trans | 178.5 | 135.9 | 133.1 | -97.5 | 8.6 | 0 | 0 | 0 | 116.7 | | |
| 372 | T | 30.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 168.3 Ų | 168.3 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | 28.2 | 130.7 | 142.5 | 59.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 373 | R | 33.8 | Very low | 30.6 | Very low | 239 Ų | 239 | 163.4 Ų | 163.4 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | | | trans | -59.3 | 161 | 162 | -89.8 | 177.3 | 163.9 | 165.6 | -6 | 115.1 | | |
| 374 | T | 29.9 | Very low | 30.9 | Very low | 111 Ų | 111 | 164.4 Ų | 164.4 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | | | | 168.2 | 168.1 | 126.5 | 36.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 375 | R | 31.7 | Very low | 30.8 | Very low | 194 Ų | 194 | 160.2 Ų | 160.2 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | | | cis | -167.6 | 164.1 | 2.4 | -120.1 | 154.3 | -167.1 | 143.1 | -5.5 | 109.1 | | |
| 376 | R | 32.7 | Very low | 30.9 | Very low | 222 Ų | 222 | 156.9 Ų | 156.9 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | | | trans | 73.1 | 154.7 | 148.8 | -76 | 169 | -177.2 | 176.1 | -1.2 | 117.5 | | |
| 377 | K | 30.9 | Very low | 30.7 | Very low | 150 Ų | 150 | 153 Ų | 153 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | | | cis | 175.6 | 137.8 | -0.3 | 160.9 | 93 | 157.9 | -177.7 | 0 | 113.6 | | |
| 378 | R | 32.3 | Very low | 30.7 | Very low | 208 Ų | 208 | 152.7 Ų | 152.7 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | 69.6 | 168.7 | 164.9 | -71.9 | 171 | 172.6 | 168 | -4 | 116.3 | | |
| 379 | K | 28.5 | Very low | 30.8 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 70% | 0.704 | 73% | 0.729 | S | S | * | * | | | cis | -151 | -179.7 | 16.8 | -173.2 | 51 | -174.7 | 150.7 | 0 | 112.2 | | |
| 380 | N | 22 | Very low | 30.8 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | | | trans | -43.9 | 175.1 | 170.8 | -61.3 | 37.9 | 0 | 0 | 0 | 116 | | |
| 381 | S | 27.9 | Very low | 30.5 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | cis | -167.4 | 173.7 | 37.3 | 53 | 0 | 0 | 0 | 0 | 115.4 | | |
| 382 | D | 30.1 | Very low | 30.5 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | | | trans | 28.2 | 145.5 | 133.2 | -48.8 | -178.6 | 0 | 0 | 0 | 119.2 | | |
| 383 | D | 31.7 | Very low | 30.4 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | | | cis | -175.6 | -173.4 | -8.9 | -105.8 | -51.2 | 0 | 0 | 0 | 109 | | |
| 384 | E | 38.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | | | trans | 77.6 | 93.9 | 164.3 | -46 | -77.1 | 122.8 | 0 | 0 | 119.4 | | |
| 385 | D | 33.6 | Very low | 30.2 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | | 21.7 | 141.6 | 126.1 | -58.7 | -111.2 | 0 | 0 | 0 | 124.3 | | |
| 386 | E | 35 | Very low | 30.4 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | 49.3 | 111.9 | 138.6 | -59.3 | -65.5 | 128.3 | 0 | 0 | 120.3 | | |
| 387 | N | 27.1 | Very low | 30.2 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | | 80.8 | 107.6 | 65.5 | 176.5 | 25.5 | 0 | 0 | 0 | 115.1 | | |
| 388 | S | 30.6 | Very low | 30.4 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | | | trans | -168 | 157.7 | 154.1 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 389 | E | 28.7 | Very low | 30.4 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | 62.9 | 75.6 | 158.2 | 72.2 | -165.2 | 149.9 | 0 | 0 | 120.8 | | |
| 390 | E | 28.8 | Very low | 30.7 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | | 35.5 | 144.8 | 117.2 | 76.7 | -150.7 | 86.2 | 0 | 0 | 124.4 | | |
| 391 | S | 27.1 | Very low | 31.3 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | 94.8 | 120.9 | 147.3 | -56.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 392 | L | 29 | Very low | 31.9 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | | | trans | 65.9 | 139.2 | 153.3 | -55.4 | 163.4 | 0 | 0 | 0 | 116 | | |
| 393 | S | 28.1 | Very low | 32.2 | Very low | 98 Ų | 98 | 151 Ų | 151 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | cis | -159.5 | 156.3 | 18.7 | 51.8 | 0 | 0 | 0 | 0 | 112 | | |
| 394 | E | 29.9 | Very low | 32.9 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 23.6 | 162.3 | 139.2 | -62.6 | 167.4 | 142.5 | 0 | 0 | 123.4 | | |
| 395 | E | 29.8 | Very low | 33.5 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 83.9 | 94.2 | 171 | -50 | -55.4 | 102.9 | 0 | 0 | 120.1 | | |
| 396 | E | 35.8 | Very low | 34.1 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | trans | 6.7 | 116.6 | 136.1 | -56.8 | -84 | 139.5 | 0 | 0 | 120.2 | | |
| 397 | E | 27.8 | Very low | 34.7 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | | | | -160.5 | 156 | 124.7 | -165.9 | 159.9 | -166.2 | 0 | 0 | 110 | | |
| 398 | S | 34.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -112 | 125.9 | -172.6 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 399 | E | 32.5 | Very low | 36.6 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | | | trans | -132.1 | 138.2 | 157.3 | -65 | -163.2 | 150.4 | 0 | 0 | 109.6 | | |
| 400 | E | 35.2 | Very low | 37.9 | Very low | 147 Ų | 147 | 140 Ų | 140 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | | | trans | -99.5 | 116.1 | -179.3 | -64.2 | -172.7 | -176.6 | 0 | 0 | 110.3 | R756 | E400-R756 IonicContact OE1-CZ 3.97Å; E400-R756 IonicContact OE1-NH1 3.1Å; E400-R756 PolarHBondContact OE1-NH1 3.46Å; E400-R756 IonicContact OE1-NH2 3.96Å; E400-R756 PolarHBondContact OE1-NH2 3.17Å; E400-R756 IonicContact OE2-CZ 2.74Å; E400-R756 IonicContact OE2-NH1 3.19Å; E400-R756 PolarHBondContact OE2-NH1 2.84Å; E400-R756 IonicContact OE2-NH2 3.42Å; E400-R756 PolarHBondContact OE2-NH2 3.2Å |
| 401 | E | 34.3 | Very low | 39 | Very low | 195 Ų | 195 | 136.8 Ų | 136.8 | 91% | 0.911 | 70% | 0.704 | S | S | * | * | | | trans | -113 | 162.3 | 169.2 | -69.5 | -125.5 | 131.4 | 0 | 0 | 111.8 | | |
| 402 | D | 41.1 | Very low | 40.1 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 84% | 0.84 | 70% | 0.699 | S | S | * | * | | | trans | -102.8 | 94.4 | -156.7 | -175.1 | 27 | 0 | 0 | 0 | 112 | | |
| 403 | D | 36.7 | Very low | 41.5 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | | | trans | -95 | 101.6 | -176.7 | -165.4 | -3.8 | 0 | 0 | 0 | 112.7 | | |
| 404 | S | 46.7 | Very low | 43 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | -135.6 | 15.9 | -173.1 | -154.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 405 | D | 50.2 | Low | 44.3 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 58% | 0.583 | 67% | 0.668 | S | S | * | * | | | trans | -111.3 | -12.5 | -170.3 | -140.9 | -86.5 | 0 | 0 | 0 | 115.1 | D407 | D405-D407 PolarHBondContact O-N 2.87Š|
| 406 | E | 46.1 | Very low | 45.5 | Very low | 98 Ų | 98 | 138 Ų | 138 | 46% | 0.458 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -71.5 | -29.4 | -172.4 | -75.1 | -55.6 | 114.1 | 0 | 0 | 115.7 | Y408 K409 | E406-Y408 VanDerWaalsContact C-N 3.25Å; E406-Y408 PolarHBondContact O-N 2.75Å; E406-K409 WeakPolarHBondContact O-CB 3.39Å; E406-K409 PolarHBondContact O-N 3.44Å; E406-K409 VanDerWaalsContact O-N 3.09Å; E406-K409 IonicContact OE1-NZ 2.72Å; E406-K409 PolarHBondContact OE1-NZ 3.25Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 IonicContact OE2-NZ 2.96Å; E406-K409 PolarHBondContact OE2-NZ 2.75Å |
| 407 | D | 47.5 | Very low | 46.4 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -57.7 | -39.1 | -179.6 | 179.7 | 45.1 | 0 | 0 | 0 | 112.2 | D405 K409 V410 | D405-D407 PolarHBondContact O-N 2.87Å; D407-K409 PolarHBondContact O-N 3.34Å; D407-K409 VanDerWaalsContact O-N 3.13Å; D407-V410 PolarHBondContact O-N 2.94Å |
| 408 | Y | 46.5 | Very low | 47.8 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 50% | 0.502 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -59.6 | -26.4 | 179 | 141.6 | -105.7 | 0 | 0 | 0 | 113.7 | E406 R412 | E406-Y408 VanDerWaalsContact C-N 3.25Å; E406-Y408 PolarHBondContact O-N 2.75Å; Y408-R412 PolarHBondContact OH-NH1 3.24Å |
| 409 | K | 51.6 | Low | 48.8 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 47% | 0.47 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.1 | -36.3 | 174.9 | -85.5 | 162.8 | 168 | 170.2 | 0 | 112.9 | E406 D407 S413 | E406-K409 WeakPolarHBondContact O-CB 3.39Å; E406-K409 PolarHBondContact O-N 3.44Å; E406-K409 VanDerWaalsContact O-N 3.09Å; E406-K409 IonicContact OE1-NZ 2.72Å; E406-K409 PolarHBondContact OE1-NZ 3.25Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 IonicContact OE2-NZ 2.96Å; E406-K409 PolarHBondContact OE2-NZ 2.75Å; D407-K409 PolarHBondContact O-N 3.34Å; D407-K409 VanDerWaalsContact O-N 3.13Å; K409-S413 PolarHBondContact O-N 3.11Å; K409-S413 PolarHBondContact O-OG 3.44Å |
| 410 | V | 55.6 | Low | 49.8 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 41% | 0.406 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.5 | -48.7 | -172.5 | -173.3 | 0 | 0 | 0 | 0 | 110 | D407 R412 S413 R414 | D407-V410 PolarHBondContact O-N 2.94Å; V410-R412 VanDerWaalsContact C-N 3.29Å; V410-R412 PolarHBondContact O-N 2.75Å; V410-S413 WeakPolarHBondContact O-CB 3.45Å; V410-S413 PolarHBondContact O-N 3.45Å; V410-S413 VanDerWaalsContact O-N 3.09Å; V410-R414 PolarHBondContact O-N 3.2Å |
| 411 | E | 53.6 | Low | 50.7 | Low | 104 Ų | 104 | 137.3 Ų | 137.3 | 49% | 0.486 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -59.5 | -40.6 | 179.5 | -153.6 | -137.6 | 151.6 | 0 | 0 | 111.7 | S413 R414 K415 | E411-S413 PolarHBondContact O-N 2.75Å; E411-R414 PolarHBondContact O-N 3.33Å; E411-K415 PolarHBondContact O-N 2.85Å; E411-K415 IonicContact OE1-NZ 3.9Å; E411-K415 PolarHBondContact OE1-NZ 2.88Å |
| 412 | R | 50.2 | Low | 51.6 | Low | 148 Ų | 148 | 133.7 Ų | 133.7 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.5 | -25.9 | 179.5 | -161.6 | 171.9 | -167.3 | 162.8 | 6 | 113.4 | Y408 V410 | Y408-R412 PolarHBondContact OH-NH1 3.24Å; V410-R412 VanDerWaalsContact C-N 3.29Å; V410-R412 PolarHBondContact O-N 2.75Å |
| 413 | S | 57 | Low | 51.9 | Low | 77 Ų | 77 | 136.6 Ų | 136.6 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -81.3 | -43.4 | 176 | -59 | 0 | 0 | 0 | 0 | 111.3 | K409 V410 E411 K415 R416 R417 | K409-S413 PolarHBondContact O-N 3.11Å; K409-S413 PolarHBondContact O-OG 3.44Å; V410-S413 WeakPolarHBondContact O-CB 3.45Å; V410-S413 PolarHBondContact O-N 3.45Å; V410-S413 VanDerWaalsContact O-N 3.09Å; E411-S413 PolarHBondContact O-N 2.75Å; S413-K415 VanDerWaalsContact C-N 3.34Å; S413-K415 PolarHBondContact O-N 2.9Å; S413-R416 PolarHBondContact O-N 3.2Å; S413-R416 VanDerWaalsContact O-N 3.08Å; S413-R417 PolarHBondContact O-N 2.85Å |
| 414 | R | 59.3 | Low | 52.4 | Low | 166 Ų | 166 | 140 Ų | 140 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -54.2 | -47.8 | 170.5 | -67.9 | 173 | 175.4 | 147.6 | -2.7 | 111.1 | V410 E411 R416 R417 | V410-R414 PolarHBondContact O-N 3.2Å; E411-R414 PolarHBondContact O-N 3.33Å; R414-R416 PolarHBondContact O-N 3.2Å; R414-R417 PolarHBondContact O-N 2.91Å; R414-R417 VanDerWaalsContact O-N 3.12Å |
| 415 | K | 57.6 | Low | 52.5 | Low | 135 Ų | 135 | 139.5 Ų | 139.5 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.8 | -18.8 | 176.7 | -129 | 87 | 168.3 | -170.3 | 0 | 115.2 | E411 S413 | E411-K415 PolarHBondContact O-N 2.85Å; E411-K415 IonicContact OE1-NZ 3.9Å; E411-K415 PolarHBondContact OE1-NZ 2.88Å; S413-K415 VanDerWaalsContact C-N 3.34Å; S413-K415 PolarHBondContact O-N 2.9Å |
| 416 | R | 54.8 | Low | 52.3 | Low | 204 Ų | 204 | 139.1 Ų | 139.1 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -92.7 | -29.3 | 177.5 | -83.3 | -178.6 | 165.7 | 177.9 | -3.9 | 113.6 | S413 R414 | S413-R416 PolarHBondContact O-N 3.2Å; S413-R416 VanDerWaalsContact O-N 3.08Å; R414-R416 PolarHBondContact O-N 3.2Å |
| 417 | R | 56 | Low | 52.1 | Low | 215 Ų | 215 | 142.2 Ų | 142.2 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.7 | -48.3 | 175.8 | -94.3 | -178.5 | 170.7 | 149.2 | -3 | 111.6 | S413 R414 R419 N420 R421 | S413-R417 PolarHBondContact O-N 2.85Å; R414-R417 PolarHBondContact O-N 2.91Å; R414-R417 VanDerWaalsContact O-N 3.12Å; R417-R419 PolarHBondContact O-N 2.92Å; R417-N420 PolarHBondContact O-N 3.43Å; R417-R421 PolarHBondContact O-N 2.89Å |
| 418 | N | 56.9 | Low | 52 | Low | 113 Ų | 113 | 141.7 Ų | 141.7 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -53.3 | -49.5 | -177.5 | -111 | 43.7 | 0 | 0 | 0 | 113.4 | N420 R421 E422 | N418-N420 PolarHBondContact O-N 3.22Å; N418-R421 PolarHBondContact O-N 3.01Å; N418-E422 PolarHBondContact O-N 3.44Å; N418-E422 VanDerWaalsContact O-N 3.12Å |
| 419 | R | 55.7 | Low | 52.1 | Low | 190 Ų | 190 | 141 Ų | 141 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.5 | -9.3 | 179.4 | -90.1 | -174.3 | 175.5 | 170.1 | 2.2 | 116.1 | R417 E422 | R417-R419 PolarHBondContact O-N 2.92Å; R419-E422 VanDerWaalsContact CA-OE2 3.24Å; R419-E422 WeakPolarHBondContact CA-OE2 3.41Å; R419-E422 WeakPolarHBondContact CG-OE2 3.32Å; R419-E422 PolarHBondContact N-OE2 3.31Å |
| 420 | N | 52.8 | Low | 52.1 | Low | 114 Ų | 114 | 142.9 Ų | 142.9 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -105.3 | -9.1 | 175.8 | -145.2 | 88.7 | 0 | 0 | 0 | 112.7 | R417 N418 | R417-N420 PolarHBondContact O-N 3.43Å; N418-N420 PolarHBondContact O-N 3.22Å |
| 421 | R | 54.8 | Low | 51.6 | Low | 184 Ų | 184 | 144.7 Ų | 144.7 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -86.7 | -47.1 | 167 | -159.3 | 173.7 | -171 | 171.3 | 3.4 | 110.2 | R417 N418 R423 R424 | R417-R421 PolarHBondContact O-N 2.89Å; N418-R421 PolarHBondContact O-N 3.01Å; R421-R423 PolarHBondContact O-N 3.02Å; R421-R424 PolarHBondContact O-N 3.43Å |
| 422 | E | 52.3 | Low | 51.8 | Low | 119 Ų | 119 | 145.3 Ų | 145.3 | 56% | 0.556 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -7.8 | 172.7 | -65.6 | 171.6 | 89.3 | 0 | 0 | 115.3 | N418 R419 | N418-E422 PolarHBondContact O-N 3.44Å; N418-E422 VanDerWaalsContact O-N 3.12Å; R419-E422 VanDerWaalsContact CA-OE2 3.24Å; R419-E422 WeakPolarHBondContact CA-OE2 3.41Å; R419-E422 WeakPolarHBondContact CG-OE2 3.32Å; R419-E422 PolarHBondContact N-OE2 3.31Å |
| 423 | R | 48.3 | Very low | 51.6 | Low | 218 Ų | 218 | 143.7 Ų | 143.7 | 82% | 0.823 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 11.2 | 179.9 | -83.6 | -176.4 | 164.2 | -106.7 | -7.8 | 114.1 | R421 | R421-R423 PolarHBondContact O-N 3.02Š|
| 424 | R | 47 | Very low | 51.6 | Low | 210 Ų | 210 | 147.9 Ų | 147.9 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -29.8 | 174.5 | -76.6 | -173.5 | 161.3 | -142.8 | -4.9 | 113.6 | R421 S426 | R421-R424 PolarHBondContact O-N 3.43Å; R424-S426 PolarHBondContact O-N 3.39Å |
| 425 | S | 47.8 | Very low | 51.6 | Low | 97 Ų | 97 | 147.7 Ų | 147.7 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 46.9 | -179.2 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 426 | S | 46.1 | Very low | 51.6 | Low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.1 | 18.4 | -177.8 | -51.3 | 0 | 0 | 0 | 0 | 115 | R424 | R424-S426 PolarHBondContact O-N 3.39Š|
| 427 | D | 42.3 | Very low | 51.9 | Low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -137.4 | 26.5 | -177.7 | -146 | -120.9 | 0 | 0 | 0 | 112.3 | | |
| 428 | S | 45.1 | Very low | 52.1 | Low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | -132.3 | 98 | 171.2 | -167.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 429 | S | 50.3 | Low | 52.2 | Low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | | | trans | -159.6 | 39 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 430 | T | 50.4 | Low | 52.7 | Low | 146 Ų | 146 | 134 Ų | 134 | 90% | 0.896 | 73% | 0.734 | S | S | * | * | | | trans | -144.2 | 60.8 | 176.7 | 63 | 0 | 0 | 0 | 0 | 113.8 | | |
| 431 | S | 45.9 | Very low | 53.8 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | trans | -148.7 | 115.1 | 153.5 | -158.6 | 0 | 0 | 0 | 0 | 105.5 | | |
| 432 | S | 56.5 | Low | 55.2 | Low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | | | | 71.2 | 45.6 | 54.1 | -164.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 433 | D | 47.2 | Very low | 57 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | | | trans | -111.2 | 105.4 | 167.8 | -156.8 | -84.8 | 0 | 0 | 0 | 108.5 | L436 | D433-L436 VanDerWaalsContact OD1-CD1 3.26Å; D433-L436 WeakPolarHBondContact OD1-CD1 3.4Å; D433-L436 WeakPolarHBondContact OD1-CG 3.27Å |
| 434 | D | 55.9 | Low | 58.9 | Low | 164 Ų | 164 | 113.8 Ų | 113.8 | 88% | 0.877 | 66% | 0.658 | S | S | * | * | | | trans | -156.3 | 16.5 | -172.8 | -130.2 | -41.5 | 0 | 0 | 0 | 109.9 | | |
| 435 | D | 59.2 | Low | 60.8 | Low | 163 Ų | 163 | 108.1 Ų | 108.1 | 87% | 0.872 | 64% | 0.64 | S | S | * | * | | | trans | -151.8 | 21.6 | -165.8 | -126.7 | -33.7 | 0 | 0 | 0 | 112.1 | | |
| 436 | L | 59.3 | Low | 62.8 | Low | 121 Ų | 121 | 106 Ų | 106 | 63% | 0.634 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 141.6 | 166.9 | -72.5 | -179.7 | 0 | 0 | 0 | 110 | D433 | D433-L436 VanDerWaalsContact OD1-CD1 3.26Å; D433-L436 WeakPolarHBondContact OD1-CD1 3.4Å; D433-L436 WeakPolarHBondContact OD1-CG 3.27Å |
| 437 | P | 61 | Low | 64.7 | Low | 98 Ų | 98 | 103.8 Ų | 103.8 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 160.5 | 174.6 | 30.7 | -35.6 | 0 | 0 | 0 | 110.9 | N439 | P437-N439 PolarHBondContact O-N 3.27Š|
| 438 | P | 60.1 | Low | 66.7 | Low | 109 Ų | 109 | 100 Ų | 100 | 71% | 0.708 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 135.9 | 171.4 | -24.7 | 34.6 | 0 | 0 | 0 | 111.5 | D440 | P438-D440 PolarHBondContact O-N 3.29Š|
| 439 | N | 58.3 | Low | 68.5 | Low | 145 Ų | 145 | 97.5 Ų | 97.5 | 78% | 0.775 | 58% | 0.578 | S | S | * | * | | | trans | -72.1 | 82.2 | 172.4 | -77.5 | -22.2 | 0 | 0 | 0 | 109.7 | P437 D441 | P437-N439 PolarHBondContact O-N 3.27Å; N439-D441 PolarHBondContact O-N 3.21Å |
| 440 | D | 66.1 | Low | 69.8 | Low | 96 Ų | 96 | 96.4 Ų | 96.4 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | | | trans | -69.8 | 68.8 | 163.8 | -73.1 | -40.2 | 0 | 0 | 0 | 109 | P438 P442 P449 | P438-D440 PolarHBondContact O-N 3.29Å; D440-P442 WeakPolarHBondContact O-CD 3.17Å; D440-P442 VanDerWaalsContact O-N 3.12Å; D440-P449 HydrophobicContact CB-CB 4.31Å |
| 441 | D | 76.6 | Confident | 71.2 | Confident | 54 Ų | 54 | 94.8 Ų | 94.8 | 29% | 0.289 | 55% | 0.545 | S | S | . | . | | | trans | -60.1 | 112.1 | -171.2 | -131.3 | -69.2 | 0 | 0 | 0 | 110.6 | N439 C443 K444 | N439-D441 PolarHBondContact O-N 3.21Å; D441-C443 PolarHBondContact O-N 3.31Å; D441-K444 IonicContact OD1-NZ 2.84Å; D441-K444 PolarHBondContact OD1-NZ 2.9Å |
| 442 | P | 84.5 | Confident | 72.8 | Confident | 54 Ų | 54 | 92.9 Ų | 92.9 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | | | trans | -69.2 | 136.1 | -166.5 | 26.3 | -34.4 | 0 | 0 | 0 | 111 | D440 K444 | D440-P442 WeakPolarHBondContact O-CD 3.17Å; D440-P442 VanDerWaalsContact O-N 3.12Å; P442-K444 PolarHBondContact O-N 3.47Å; P442-K444 VanDerWaalsContact O-N 3.09Å |
| 443 | C | 89.5 | Confident | 74 | Confident | 0 Ų | 0 | 92.9 Ų | 92.9 | 0% | 0 | 52% | 0.518 | C | S | . | . | | | trans | -50.9 | 116.3 | -176.8 | 165.4 | 0 | 0 | 0 | 0 | 111.9 | D441 H445 C446 G447 L448 G464 H466 | D441-C443 PolarHBondContact O-N 3.31Å; C443-H445 PolarHBondContact O-N 2.74Å; C443-C446 PolarHBondContact O-N 2.9Å; C443-C446 VanDerWaalsContact SG-SG 3.69Å; C443-G447 PolarHBondContact O-N 2.98Å; C443-L448 PolarHBondContact N-O 3.28Å; C443-G464 CarbonylContact C-O 3.52Å; C443-G464 VanDerWaalsContact CA-O 3.26Å; C443-G464 WeakPolarHBondContact CA-O 3.42Å; C443-H466 WeakPolarHBondContact CB-CE1 3.39Å; C443-H466 WeakPolarHBondContact CB-ND1 3.49Å; C443-H466 PolarHBondContact SG-N 2.85Å; C443-H466 PolarHBondContact SG-ND1 3.31Å |
| 444 | K | 88.1 | Confident | 75.9 | Confident | 102 Ų | 102 | 90.8 Ų | 90.8 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.5 | -171.7 | -51.9 | -54.1 | -171.4 | -160.3 | 0 | 113.5 | D441 P442 S463 G464 Y465 | D441-K444 IonicContact OD1-NZ 2.84Å; D441-K444 PolarHBondContact OD1-NZ 2.9Å; P442-K444 PolarHBondContact O-N 3.47Å; P442-K444 VanDerWaalsContact O-N 3.09Å; K444-S463 WeakPolarHBondContact CE-OG 3.18Å; K444-G464 PolarHBondContact N-O 3.23Å; K444-Y465 HydrophobicContact CB-CE1 4.15Å; K444-Y465 HydrophobicContact CB-CE2 4.36Å; K444-Y465 HydrophobicContact CG-CE2 4.31Å |
| 445 | H | 87.4 | Confident | 77.5 | Confident | 92 Ų | 92 | 84.3 Ų | 84.3 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -30.3 | 174.9 | -179.3 | -58.1 | 0 | 0 | 0 | 113 | C443 Y465 C469 R471 | C443-H445 PolarHBondContact O-N 2.74Å; H445-Y465 HydrophobicContact CB-CD1 4.17Å; H445-Y465 HydrophobicContact CB-CE1 4.4Å; H445-C469 HydrophobicContact CB-CB 3.97Å; H445-C469 PolarHBondContact CD2-O 2.74Å; H445-R471 PolarHBondContact NE2-NH2 3Å; H445-R471 VanDerWaalsContact NE2-NH2 3.16Å |
| 446 | C | 88.9 | Confident | 78.9 | Confident | 52 Ų | 52 | 77 Ų | 77 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -7.7 | -174.7 | 72.8 | 0 | 0 | 0 | 0 | 115.8 | C443 L448 H466 | C443-C446 PolarHBondContact O-N 2.9Å; C443-C446 VanDerWaalsContact SG-SG 3.69Å; C446-L448 VanDerWaalsContact C-N 3.26Å; C446-L448 PolarHBondContact O-N 3.26Å; C446-H466 PolarHBondContact SG-CE1 3.42Å; C446-H466 PolarHBondContact SG-ND1 3.04Å; C446-H466 VanDerWaalsContact SG-ND1 3.43Å |
| 447 | G | 85.9 | Confident | 80.5 | Confident | 54 Ų | 54 | 76 Ų | 76 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | | | trans | 67.5 | 19.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C443 | C443-G447 PolarHBondContact O-N 2.98Š|
| 448 | L | 84.6 | Confident | 82 | Confident | 84 Ų | 84 | 71.3 Ų | 71.3 | 44% | 0.44 | 40% | 0.396 | S | S | . | . | | | trans | -119.3 | 136.7 | -176.4 | -60.3 | 173.4 | 0 | 0 | 0 | 110.5 | C443 C446 N450 H466 | C443-L448 PolarHBondContact N-O 3.28Å; C446-L448 VanDerWaalsContact C-N 3.26Å; C446-L448 PolarHBondContact O-N 3.26Å; L448-N450 HydrophobicContact CB-CB 4.32Å; L448-N450 PolarHBondContact O-N 2.94Å; L448-H466 PolarHBondContact O-CE1 2.79Å; L448-H466 VanDerWaalsContact O-CE1 3.23Å; L448-H466 PolarHBondContact O-NE2 3.27Å |
| 449 | P | 81.8 | Confident | 83.5 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 41% | 0.409 | 39% | 0.386 | S | S | . | . | | | trans | -88.5 | 37.3 | 171.3 | 38.2 | -36.2 | 0 | 0 | 0 | 111.6 | D440 | D440-P449 HydrophobicContact CB-CB 4.31Š|
| 450 | N | 78.9 | Confident | 85.1 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | | | trans | -94.9 | 119.3 | -173 | -72.8 | -16.7 | 0 | 0 | 0 | 110.5 | L448 H466 | L448-N450 HydrophobicContact CB-CB 4.32Å; L448-N450 PolarHBondContact O-N 2.94Å; N450-H466 PolarHBondContact O-CE1 3.3Å; N450-H466 PolarHBondContact O-NE2 3.18Å |
| 451 | H | 79.2 | Confident | 86.3 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | | | trans | 71.3 | 64.6 | -170.3 | -57.6 | -80.7 | 0 | 0 | 0 | 113.6 | E453 L454 I455 | H451-E453 VanDerWaalsContact C-OE2 3.31Å; H451-E453 VanDerWaalsContact CA-OE2 3.24Å; H451-E453 WeakPolarHBondContact CA-OE2 3.07Å; H451-E453 IonicContact CE1-OE1 2.98Å; H451-E453 IonicContact CG-OE1 3.42Å; H451-E453 IonicContact ND1-OE1 2.9Å; H451-E453 PolarHBondContact ND1-OE1 2.99Å; H451-E453 PolarHBondContact O-N 3.41Å; H451-L454 HydrophobicContact CB-CB 4.15Å; H451-L454 HydrophobicContact CB-CD1 4.12Å; H451-L454 HydrophobicContact CB-CG 4.28Å; H451-L454 PolarHBondContact O-N 3.14Å; H451-I455 PolarHBondContact O-N 3.43Å |
| 452 | P | 80.2 | Confident | 87 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -57.1 | -27.6 | 172.6 | 26.5 | -35.1 | 0 | 0 | 0 | 112.4 | L454 I455 | P452-L454 PolarHBondContact O-N 3.13Å; P452-L454 VanDerWaalsContact O-N 3.13Å; P452-I455 PolarHBondContact O-N 2.91Å |
| 453 | E | 82.1 | Confident | 87.2 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -67.8 | -5.5 | 173.6 | 77.9 | -72.8 | 178.4 | 0 | 0 | 114.7 | H451 | H451-E453 VanDerWaalsContact C-OE2 3.31Å; H451-E453 VanDerWaalsContact CA-OE2 3.24Å; H451-E453 WeakPolarHBondContact CA-OE2 3.07Å; H451-E453 IonicContact CE1-OE1 2.98Å; H451-E453 IonicContact CG-OE1 3.42Å; H451-E453 IonicContact ND1-OE1 2.9Å; H451-E453 PolarHBondContact ND1-OE1 2.99Å; H451-E453 PolarHBondContact O-N 3.41Å |
| 454 | L | 85.6 | Confident | 87.3 | Confident | 70 Ų | 70 | 65.9 Ų | 65.9 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -122.3 | 10.1 | 175.2 | -62.1 | 177.8 | 0 | 0 | 0 | 112.9 | H451 P452 H466 T467 | H451-L454 HydrophobicContact CB-CB 4.15Å; H451-L454 HydrophobicContact CB-CD1 4.12Å; H451-L454 HydrophobicContact CB-CG 4.28Å; H451-L454 PolarHBondContact O-N 3.14Å; P452-L454 PolarHBondContact O-N 3.13Å; P452-L454 VanDerWaalsContact O-N 3.13Å; L454-H466 CarbonylContact O-C 3.49Å; L454-H466 VanDerWaalsContact O-CA 3.29Å; L454-H466 WeakPolarHBondContact O-CA 3.43Å; L454-T467 PolarHBondContact O-N 2.8Å |
| 455 | I | 89.4 | Confident | 87.5 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 14% | 0.138 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126 | 172.5 | -66.8 | 178.4 | 0 | 0 | 0 | 109.6 | H451 P452 L457 G464 H466 | H451-I455 PolarHBondContact O-N 3.43Å; P452-I455 PolarHBondContact O-N 2.91Å; I455-L457 HydrophobicContact CG2-CD2 4.15Å; I455-G464 VanDerWaalsContact CG2-CA 3.49Å; I455-H466 WeakPolarHBondContact CG1-CD2 3.4Å |
| 456 | L | 89.9 | Confident | 87.7 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.4 | 163.1 | -56.1 | -175.7 | 0 | 0 | 0 | 109 | G464 Y465 T467 L470 L474 I477 P478 W482 | L456-G464 CarbonylContact O-C 3.59Å; L456-G464 VanDerWaalsContact O-CA 3.3Å; L456-G464 WeakPolarHBondContact O-CA 3.44Å; L456-Y465 PolarHBondContact N-O 3.35Å; L456-Y465 PolarHBondContact O-N 2.93Å; L456-T467 HydrophobicContact CD1-CG2 4.14Å; L456-T467 HydrophobicContact CD2-CG2 4.12Å; L456-T467 HydrophobicContact CG-CG2 3.94Å; L456-L470 HydrophobicContact CD1-CD1 4.07Å; L456-L474 HydrophobicContact CD1-CD1 3.87Å; L456-I477 HydrophobicContact CD2-CB 4.09Å; L456-I477 HydrophobicContact CD2-CG1 3.86Å; L456-I477 HydrophobicContact CD2-CG2 3.72Å; L456-P478 HydrophobicContact CD1-CG 4.08Å; L456-W482 HydrophobicContact CB-CD2 3.98Å; L456-W482 HydrophobicContact CB-CE3 3.57Å; L456-W482 HydrophobicContact CB-CH2 4.35Å; L456-W482 HydrophobicContact CB-CZ3 3.76Å; L456-W482 HydrophobicContact CD1-CD2 3.8Å; L456-W482 HydrophobicContact CD1-CE3 4.27Å; L456-W482 HydrophobicContact CD1-CG 4.07Å; L456-W482 HydrophobicContact CD1-CZ2 4.32Å |
| 457 | L | 91.6 | Very high | 87.8 | Confident | 99 Ų | 99 | 56.8 Ų | 56.8 | 52% | 0.518 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 142.4 | 167.7 | -57.6 | 179.1 | 0 | 0 | 0 | 108.8 | I455 | I455-L457 HydrophobicContact CG2-CD2 4.15Š|
| 458 | C | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 120.1 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | S460 C461 D462 S463 W482 C484 | C458-S460 PolarHBondContact O-N 3.35Å; C458-S460 PolarHBondContact SG-OG 3.23Å; C458-C461 PolarHBondContact O-N 2.95Å; C458-C461 VanDerWaalsContact O-N 3.07Å; C458-D462 WeakPolarHBondContact O-CA 3.25Å; C458-D462 PolarHBondContact O-N 3.38Å; C458-S463 PolarHBondContact N-O 3.12Å; C458-W482 WeakPolarHBondContact CA-O 3.07Å; C458-W482 HydrophobicContact CB-CE3 4.29Å; C458-W482 HydrophobicContact CB-CZ3 4Å; C458-C484 HydrophobicContact CB-CB 3.87Å; C458-C484 PolarHBondContact SG-N 3.44Å; C458-C484 PolarHBondContact SG-SG 3.22Å |
| 459 | D | 92.4 | Very high | 88.3 | Confident | 93 Ų | 93 | 55 Ų | 55 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 10.3 | -173.6 | -57.6 | -55.1 | 0 | 0 | 0 | 115.8 | E481 W482 F483 | D459-E481 VanDerWaalsContact OD2-CA 3.29Å; D459-E481 WeakPolarHBondContact OD2-CA 3.26Å; D459-W482 PolarHBondContact N-O 2.85Å; D459-W482 PolarHBondContact OD2-N 2.91Å; D459-F483 HydrophobicContact CB-CD1 4.49Å; D459-F483 HydrophobicContact CB-CE1 3.93Å |
| 460 | S | 91.1 | Very high | 88.7 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 43% | 0.427 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | -2.2 | 178.6 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | C458 C487 | C458-S460 PolarHBondContact O-N 3.35Å; C458-S460 PolarHBondContact SG-OG 3.23Å; S460-C487 WeakPolarHBondContact OG-CB 3.44Å; S460-C487 PolarHBondContact OG-SG 3.4Å |
| 461 | C | 91.6 | Very high | 89.1 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 34% | 0.338 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.9 | 15.6 | 177.9 | 66.1 | 0 | 0 | 0 | 0 | 114 | C458 S463 C487 | C458-C461 PolarHBondContact O-N 2.95Å; C458-C461 VanDerWaalsContact O-N 3.07Å; C461-S463 WeakPolarHBondContact O-CB 3.35Å; C461-S463 PolarHBondContact O-N 2.63Å; C461-S463 PolarHBondContact O-OG 2.87Å; C461-C487 PolarHBondContact SG-SG 2.79Å |
| 462 | D | 90.8 | Very high | 89.6 | Confident | 121 Ų | 121 | 57.9 Ų | 57.9 | 65% | 0.647 | 32% | 0.318 | S | S | * | . | | | trans | 46.7 | 17.8 | 178.8 | -52.9 | -37.2 | 0 | 0 | 0 | 115.5 | C458 G464 | C458-D462 WeakPolarHBondContact O-CA 3.25Å; C458-D462 PolarHBondContact O-N 3.38Å; D462-G464 PolarHBondContact O-N 2.83Å |
| 463 | S | 89.7 | Confident | 90 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | | | trans | -88.3 | 120.3 | -165.6 | -76.2 | 0 | 0 | 0 | 0 | 110.7 | K444 C458 C461 Y465 | K444-S463 WeakPolarHBondContact CE-OG 3.18Å; C458-S463 PolarHBondContact N-O 3.12Å; C461-S463 WeakPolarHBondContact O-CB 3.35Å; C461-S463 PolarHBondContact O-N 2.63Å; C461-S463 PolarHBondContact O-OG 2.87Å; S463-Y465 WeakPolarHBondContact O-CD2 3.46Å |
| 464 | G | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | | | trans | -63.5 | 137.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C443 K444 I455 L456 D462 | C443-G464 CarbonylContact C-O 3.52Å; C443-G464 VanDerWaalsContact CA-O 3.26Å; C443-G464 WeakPolarHBondContact CA-O 3.42Å; K444-G464 PolarHBondContact N-O 3.23Å; I455-G464 VanDerWaalsContact CG2-CA 3.49Å; L456-G464 CarbonylContact O-C 3.59Å; L456-G464 VanDerWaalsContact O-CA 3.3Å; L456-G464 WeakPolarHBondContact O-CA 3.44Å; D462-G464 PolarHBondContact O-N 2.83Å |
| 465 | Y | 91.8 | Very high | 90.3 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 12% | 0.122 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 129 | 167.4 | -68.4 | -99.5 | 0 | 0 | 0 | 110 | K444 H445 L456 S463 T467 L470 W482 C484 | K444-Y465 HydrophobicContact CB-CE1 4.15Å; K444-Y465 HydrophobicContact CB-CE2 4.36Å; K444-Y465 HydrophobicContact CG-CE2 4.31Å; H445-Y465 HydrophobicContact CB-CD1 4.17Å; H445-Y465 HydrophobicContact CB-CE1 4.4Å; L456-Y465 PolarHBondContact N-O 3.35Å; L456-Y465 PolarHBondContact O-N 2.93Å; S463-Y465 WeakPolarHBondContact O-CD2 3.46Å; Y465-T467 PolarHBondContact O-N 3.5Å; Y465-L470 HydrophobicContact CD1-CD2 4.19Å; Y465-L470 HydrophobicContact CG-CD2 4.26Å; Y465-W482 AromaticContact CD2-CH2 3.68Å; Y465-W482 HydrophobicContact CD2-CH2 3.68Å; Y465-W482 AromaticContact CD2-CZ3 3.9Å; Y465-W482 HydrophobicContact CD2-CZ3 3.9Å; Y465-W482 AromaticContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CZ3 4.41Å; Y465-C484 HydrophobicContact CD2-CB 3.6Å; Y465-C484 HydrophobicContact CE1-CB 4.48Å; Y465-C484 HydrophobicContact CE2-CB 3.21Å; Y465-C484 HydrophobicContact CG-CB 4.4Å |
| 466 | H | 92.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 138.9 | 170 | -54.5 | 128.2 | 0 | 0 | 0 | 110.3 | C443 C446 L448 N450 L454 I455 A468 C469 L470 | C443-H466 WeakPolarHBondContact CB-CE1 3.39Å; C443-H466 WeakPolarHBondContact CB-ND1 3.49Å; C443-H466 PolarHBondContact SG-N 2.85Å; C443-H466 PolarHBondContact SG-ND1 3.31Å; C446-H466 PolarHBondContact SG-CE1 3.42Å; C446-H466 PolarHBondContact SG-ND1 3.04Å; C446-H466 VanDerWaalsContact SG-ND1 3.43Å; L448-H466 PolarHBondContact O-CE1 2.79Å; L448-H466 VanDerWaalsContact O-CE1 3.23Å; L448-H466 PolarHBondContact O-NE2 3.27Å; N450-H466 PolarHBondContact O-CE1 3.3Å; N450-H466 PolarHBondContact O-NE2 3.18Å; L454-H466 CarbonylContact O-C 3.49Å; L454-H466 VanDerWaalsContact O-CA 3.29Å; L454-H466 WeakPolarHBondContact O-CA 3.43Å; I455-H466 WeakPolarHBondContact CG1-CD2 3.4Å; H466-A468 PolarHBondContact O-N 3.35Å; H466-A468 VanDerWaalsContact O-N 3.15Å; H466-C469 HydrophobicContact CB-CB 4.01Å; H466-C469 PolarHBondContact ND1-SG 2.99Å; H466-C469 WeakPolarHBondContact O-CA 3.38Å; H466-C469 PolarHBondContact O-N 2.68Å; H466-L470 PolarHBondContact O-N 3.48Å |
| 467 | T | 90.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 5% | 0.049 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -47.7 | -42.2 | 170.3 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | L454 L456 Y465 C469 L470 P473 L474 I477 | L454-T467 PolarHBondContact O-N 2.8Å; L456-T467 HydrophobicContact CD1-CG2 4.14Å; L456-T467 HydrophobicContact CD2-CG2 4.12Å; L456-T467 HydrophobicContact CG-CG2 3.94Å; Y465-T467 PolarHBondContact O-N 3.5Å; T467-C469 PolarHBondContact O-N 2.95Å; T467-L470 PolarHBondContact O-N 3.16Å; T467-P473 WeakPolarHBondContact O-CA 3.44Å; T467-L474 WeakPolarHBondContact CB-O 3.41Å; T467-L474 HydrophobicContact CG2-CB 4.4Å; T467-L474 PolarHBondContact O-N 3.2Å; T467-I477 HydrophobicContact CG2-CG1 4.42Å |
| 468 | A | 89.8 | Confident | 89.9 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 61% | 0.612 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -76.8 | -10.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H466 | H466-A468 PolarHBondContact O-N 3.35Å; H466-A468 VanDerWaalsContact O-N 3.15Å |
| 469 | C | 90.8 | Very high | 89.6 | Confident | 25 Ų | 25 | 75 Ų | 75 | 17% | 0.169 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -91.9 | -8.4 | 173.7 | -71.3 | 0 | 0 | 0 | 0 | 113.2 | H445 H466 T467 | H445-C469 HydrophobicContact CB-CB 3.97Å; H445-C469 PolarHBondContact CD2-O 2.74Å; H466-C469 HydrophobicContact CB-CB 4.01Å; H466-C469 PolarHBondContact ND1-SG 2.99Å; H466-C469 WeakPolarHBondContact O-CA 3.38Å; H466-C469 PolarHBondContact O-N 2.68Å; T467-C469 PolarHBondContact O-N 2.95Å |
| 470 | L | 89.6 | Confident | 89.5 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -75.4 | 163.7 | 174 | -60.4 | 174.3 | 0 | 0 | 0 | 111.4 | L456 Y465 H466 T467 P472 P473 L474 W482 P485 | L456-L470 HydrophobicContact CD1-CD1 4.07Å; Y465-L470 HydrophobicContact CD1-CD2 4.19Å; Y465-L470 HydrophobicContact CG-CD2 4.26Å; H466-L470 PolarHBondContact O-N 3.48Å; T467-L470 PolarHBondContact O-N 3.16Å; L470-P472 CarbonylContact C-O 3.52Å; L470-P472 CarbonylContact O-C 3.59Å; L470-P473 VanDerWaalsContact O-CA 3.28Å; L470-P473 WeakPolarHBondContact O-CA 3.37Å; L470-P473 VanDerWaalsContact O-N 3.17Å; L470-L474 HydrophobicContact CD1-CD1 3.62Å; L470-L474 HydrophobicContact CD1-CG 3.86Å; L470-W482 HydrophobicContact CD1-CH2 4.25Å; L470-W482 HydrophobicContact CD1-CZ2 3.48Å; L470-W482 VanDerWaalsContact CD1-CZ2 3.48Å; L470-W482 HydrophobicContact CD2-CH2 3.9Å; L470-W482 HydrophobicContact CD2-CZ2 3.59Å; L470-W482 HydrophobicContact CG-CZ2 4.18Å; L470-P485 HydrophobicContact CD2-CG 4.31Å |
| 471 | R | 88.5 | Confident | 89.5 | Confident | 202 Ų | 202 | 78.3 Ų | 78.3 | 76% | 0.762 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -135 | 110.7 | 176 | -63.4 | -173.7 | -164 | 162.6 | 11.8 | 108.9 | H445 | H445-R471 PolarHBondContact NE2-NH2 3Å; H445-R471 VanDerWaalsContact NE2-NH2 3.16Å |
| 472 | P | 88.4 | Confident | 89.5 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 71% | 0.714 | 43% | 0.431 | S | S | * | . | S | Bend | cis | -60.2 | 150.3 | -6.3 | 28.4 | -36 | 0 | 0 | 0 | 112.3 | L470 | L470-P472 CarbonylContact C-O 3.52Å; L470-P472 CarbonylContact O-C 3.59Å |
| 473 | P | 89.1 | Confident | 89.6 | Confident | 82 Ų | 82 | 74 Ų | 74 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 132.3 | 175.4 | 28.8 | -33.9 | 0 | 0 | 0 | 109.7 | T467 L470 | T467-P473 WeakPolarHBondContact O-CA 3.44Å; L470-P473 VanDerWaalsContact O-CA 3.28Å; L470-P473 WeakPolarHBondContact O-CA 3.37Å; L470-P473 VanDerWaalsContact O-N 3.17Å |
| 474 | L | 88.6 | Confident | 89.8 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 138.9 | 176.8 | -59.9 | -177.2 | 0 | 0 | 0 | 109.8 | L456 T467 L470 P478 | L456-L474 HydrophobicContact CD1-CD1 3.87Å; T467-L474 WeakPolarHBondContact CB-O 3.41Å; T467-L474 HydrophobicContact CG2-CB 4.4Å; T467-L474 PolarHBondContact O-N 3.2Å; L470-L474 HydrophobicContact CD1-CD1 3.62Å; L470-L474 HydrophobicContact CD1-CG 3.86Å; L474-P478 HydrophobicContact CD1-CG 4.3Å |
| 475 | M | 85.5 | Confident | 89.8 | Confident | 190 Ų | 190 | 76.1 Ų | 76.1 | 94% | 0.936 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -95.4 | -13.2 | 176.5 | -65.1 | -161.4 | 72.4 | 0 | 0 | 113.4 | | |
| 476 | V | 86.9 | Confident | 89.8 | Confident | 113 Ų | 113 | 77.7 Ų | 77.7 | 69% | 0.685 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -140.4 | 150.5 | -179.2 | -166.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 477 | I | 87.9 | Confident | 89.9 | Confident | 90 Ų | 90 | 77.6 Ų | 77.6 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 128.2 | 166.9 | -64.6 | 178 | 0 | 0 | 0 | 107.5 | L456 T467 | L456-I477 HydrophobicContact CD2-CB 4.09Å; L456-I477 HydrophobicContact CD2-CG1 3.86Å; L456-I477 HydrophobicContact CD2-CG2 3.72Å; T467-I477 HydrophobicContact CG2-CG1 4.42Å |
| 478 | P | 88.4 | Confident | 90.1 | Very high | 47 Ų | 47 | 82.3 Ų | 82.3 | 31% | 0.305 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 145.1 | 177.4 | 29.2 | -32.8 | 0 | 0 | 0 | 110.8 | L456 L474 W482 | L456-P478 HydrophobicContact CD1-CG 4.08Å; L474-P478 HydrophobicContact CD1-CG 4.3Å; P478-W482 HydrophobicContact CG-CB 4.15Å; P478-W482 HydrophobicContact CG-CG 4.03Å |
| 479 | D | 86.3 | Confident | 90.3 | Very high | 170 Ų | 170 | 84.7 Ų | 84.7 | 91% | 0.909 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -80.5 | 130.6 | 173.1 | -64.9 | -53.4 | 0 | 0 | 0 | 110.4 | | |
| 480 | G | 89.4 | Confident | 90.5 | Very high | 69 Ų | 69 | 89.8 Ų | 89.8 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 97.8 | -158.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 481 | E | 91.7 | Very high | 90.7 | Very high | 155 Ų | 155 | 91.7 Ų | 91.7 | 72% | 0.724 | 49% | 0.486 | S | S | * | . | | | trans | -68.3 | 138.3 | 179.9 | -65.9 | 174 | -166.9 | 0 | 0 | 111.5 | D459 F483 | D459-E481 VanDerWaalsContact OD2-CA 3.29Å; D459-E481 WeakPolarHBondContact OD2-CA 3.26Å; E481-F483 HydrophobicContact CB-CE2 4.14Å; E481-F483 HydrophobicContact CB-CZ 4.21Å |
| 482 | W | 92.6 | Very high | 91 | Very high | 35 Ų | 35 | 86.6 Ų | 86.6 | 13% | 0.133 | 47% | 0.473 | C | S | . | . | | | trans | -128.6 | 122.8 | 176.5 | -175 | 74.8 | 0 | 0 | 0 | 112.5 | L456 C458 D459 Y465 L470 P478 C484 | L456-W482 HydrophobicContact CB-CD2 3.98Å; L456-W482 HydrophobicContact CB-CE3 3.57Å; L456-W482 HydrophobicContact CB-CH2 4.35Å; L456-W482 HydrophobicContact CB-CZ3 3.76Å; L456-W482 HydrophobicContact CD1-CD2 3.8Å; L456-W482 HydrophobicContact CD1-CE3 4.27Å; L456-W482 HydrophobicContact CD1-CG 4.07Å; L456-W482 HydrophobicContact CD1-CZ2 4.32Å; C458-W482 WeakPolarHBondContact CA-O 3.07Å; C458-W482 HydrophobicContact CB-CE3 4.29Å; C458-W482 HydrophobicContact CB-CZ3 4Å; D459-W482 PolarHBondContact N-O 2.85Å; D459-W482 PolarHBondContact OD2-N 2.91Å; Y465-W482 AromaticContact CD2-CH2 3.68Å; Y465-W482 HydrophobicContact CD2-CH2 3.68Å; Y465-W482 AromaticContact CD2-CZ3 3.9Å; Y465-W482 HydrophobicContact CD2-CZ3 3.9Å; Y465-W482 AromaticContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CZ3 4.41Å; L470-W482 HydrophobicContact CD1-CH2 4.25Å; L470-W482 HydrophobicContact CD1-CZ2 3.48Å; L470-W482 VanDerWaalsContact CD1-CZ2 3.48Å; L470-W482 HydrophobicContact CD2-CH2 3.9Å; L470-W482 HydrophobicContact CD2-CZ2 3.59Å; L470-W482 HydrophobicContact CG-CZ2 4.18Å; P478-W482 HydrophobicContact CG-CB 4.15Å; P478-W482 HydrophobicContact CG-CG 4.03Å; W482-C484 VanDerWaalsContact CH2-CA 3.43Å; W482-C484 HydrophobicContact CH2-CB 3.47Å; W482-C484 VanDerWaalsContact CH2-CB 3.47Å; W482-C484 HydrophobicContact CZ2-CB 4.22Å; W482-C484 HydrophobicContact CZ3-CB 3.8Å |
| 483 | F | 93 | Very high | 91.3 | Very high | 46 Ų | 46 | 83.3 Ų | 83.3 | 20% | 0.202 | 45% | 0.452 | C | S | . | . | | | trans | -107.4 | 129.6 | 175.4 | -56.4 | -68.5 | 0 | 0 | 0 | 110.7 | D459 E481 Q488 Q491 | D459-F483 HydrophobicContact CB-CD1 4.49Å; D459-F483 HydrophobicContact CB-CE1 3.93Å; E481-F483 HydrophobicContact CB-CE2 4.14Å; E481-F483 HydrophobicContact CB-CZ 4.21Å; F483-Q488 HydrophobicContact CB-CB 4.24Å; F483-Q491 VanDerWaalsContact CD1-NE2 3.29Å; F483-Q491 VanDerWaalsContact CE1-NE2 3.33Å |
| 484 | C | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 45% | 0.451 | C | S | . | . | | | trans | -66.4 | 154.3 | 174.4 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | C458 Y465 W482 P486 C487 Q488 | C458-C484 HydrophobicContact CB-CB 3.87Å; C458-C484 PolarHBondContact SG-N 3.44Å; C458-C484 PolarHBondContact SG-SG 3.22Å; Y465-C484 HydrophobicContact CD2-CB 3.6Å; Y465-C484 HydrophobicContact CE1-CB 4.48Å; Y465-C484 HydrophobicContact CE2-CB 3.21Å; Y465-C484 HydrophobicContact CG-CB 4.4Å; W482-C484 VanDerWaalsContact CH2-CA 3.43Å; W482-C484 HydrophobicContact CH2-CB 3.47Å; W482-C484 VanDerWaalsContact CH2-CB 3.47Å; W482-C484 HydrophobicContact CZ2-CB 4.22Å; W482-C484 HydrophobicContact CZ3-CB 3.8Å; C484-P486 VanDerWaalsContact C-CD 3.46Å; C484-P486 VanDerWaalsContact O-N 3.13Å; C484-C487 PolarHBondContact O-N 3.16Å; C484-Q488 PolarHBondContact O-N 3.46Å |
| 485 | P | 91.9 | Very high | 92 | Very high | 64 Ų | 64 | 86.4 Ų | 86.4 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -48.1 | -42.6 | -175.2 | -30.1 | 35.8 | 0 | 0 | 0 | 116.5 | L470 H489 | L470-P485 HydrophobicContact CD2-CG 4.31Å; P485-H489 VanDerWaalsContact O-CB 3.27Å; P485-H489 WeakPolarHBondContact O-CB 3.08Å; P485-H489 PolarHBondContact O-N 2.86Å |
| 486 | P | 92.7 | Very high | 92.5 | Very high | 64 Ų | 64 | 82.1 Ų | 82.1 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.4 | -26.6 | 177.1 | 28.1 | -35.3 | 0 | 0 | 0 | 113.9 | C484 K490 | C484-P486 VanDerWaalsContact C-CD 3.46Å; C484-P486 VanDerWaalsContact O-N 3.13Å; P486-K490 VanDerWaalsContact O-CG 3.31Å; P486-K490 WeakPolarHBondContact O-CG 3.11Å; P486-K490 PolarHBondContact O-N 2.83Å |
| 487 | C | 94.2 | Very high | 93 | Very high | 14 Ų | 14 | 82.2 Ų | 82.2 | 10% | 0.095 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -81.2 | -39.9 | 174.2 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | S460 C461 C484 H489 K490 Q491 | S460-C487 WeakPolarHBondContact OG-CB 3.44Å; S460-C487 PolarHBondContact OG-SG 3.4Å; C461-C487 PolarHBondContact SG-SG 2.79Å; C484-C487 PolarHBondContact O-N 3.16Å; C487-H489 VanDerWaalsContact C-N 3.28Å; C487-H489 PolarHBondContact O-N 2.81Å; C487-K490 PolarHBondContact O-N 3.39Å; C487-Q491 WeakPolarHBondContact O-CG 3.34Å; C487-Q491 PolarHBondContact O-N 2.72Å |
| 488 | Q | 93.5 | Very high | 93.4 | Very high | 107 Ų | 107 | 83.3 Ų | 83.3 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 171.4 | -169.3 | -179 | 26 | 0 | 0 | 111 | F483 C484 L492 | F483-Q488 HydrophobicContact CB-CB 4.24Å; C484-Q488 PolarHBondContact O-N 3.46Å; Q488-L492 HydrophobicContact CG-CD1 4.41Å; Q488-L492 VanDerWaalsContact O-CG 3.3Å; Q488-L492 WeakPolarHBondContact O-CG 3.43Å; Q488-L492 PolarHBondContact O-N 3.3Å; Q488-L492 VanDerWaalsContact O-N 3.11Å |
| 489 | H | 94.1 | Very high | 93.9 | Very high | 123 Ų | 123 | 86.6 Ų | 86.6 | 57% | 0.569 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 175.1 | -178.6 | 27.9 | 0 | 0 | 0 | 112.5 | P485 C487 L492 C493 | P485-H489 VanDerWaalsContact O-CB 3.27Å; P485-H489 WeakPolarHBondContact O-CB 3.08Å; P485-H489 PolarHBondContact O-N 2.86Å; C487-H489 VanDerWaalsContact C-N 3.28Å; C487-H489 PolarHBondContact O-N 2.81Å; H489-L492 PolarHBondContact O-N 2.72Å; H489-C493 PolarHBondContact CE1-SG 2.96Å; H489-C493 PolarHBondContact O-N 3.33Å; H489-C493 PolarHBondContact O-SG 2.92Å; H489-C493 VanDerWaalsContact O-SG 3.39Å |
| 490 | K | 94.8 | Very high | 94.4 | Very high | 133 Ų | 133 | 84 Ų | 84 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -56.7 | -54.5 | 174.4 | -75.8 | 171 | 179.4 | -174.5 | 0 | 111.6 | P486 C487 L492 C493 D494 | P486-K490 VanDerWaalsContact O-CG 3.31Å; P486-K490 WeakPolarHBondContact O-CG 3.11Å; P486-K490 PolarHBondContact O-N 2.83Å; C487-K490 PolarHBondContact O-N 3.39Å; K490-L492 PolarHBondContact O-N 2.75Å; K490-L492 VanDerWaalsContact O-N 3.07Å; K490-C493 CarbonylContact O-C 3.56Å; K490-C493 WeakPolarHBondContact O-CA 3.34Å; K490-C493 WeakPolarHBondContact O-CB 3.44Å; K490-C493 PolarHBondContact O-N 3.02Å; K490-D494 VanDerWaalsContact C-OD2 3.3Å; K490-D494 PolarHBondContact O-N 2.96Å; K490-D494 VanDerWaalsContact O-OD2 3.09Å |
| 491 | Q | 93.7 | Very high | 94.8 | Very high | 53 Ų | 53 | 86.9 Ų | 86.9 | 25% | 0.248 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.3 | -29.9 | 178.4 | -69.8 | -177.9 | 16.5 | 0 | 0 | 113.3 | F483 C487 D494 K495 | F483-Q491 VanDerWaalsContact CD1-NE2 3.29Å; F483-Q491 VanDerWaalsContact CE1-NE2 3.33Å; C487-Q491 WeakPolarHBondContact O-CG 3.34Å; C487-Q491 PolarHBondContact O-N 2.72Å; Q491-D494 WeakPolarHBondContact CA-OD2 3.45Å; Q491-K495 WeakPolarHBondContact O-CB 3.5Å; Q491-K495 VanDerWaalsContact O-CD 3.28Å; Q491-K495 WeakPolarHBondContact O-CD 3.34Å; Q491-K495 WeakPolarHBondContact O-CG 3.32Å; Q491-K495 PolarHBondContact O-N 3.25Å |
| 492 | L | 94.6 | Very high | 95.1 | Very high | 95 Ų | 95 | 84.1 Ų | 84.1 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -75.2 | -39.2 | 174.2 | -71.6 | 168.3 | 0 | 0 | 0 | 112.1 | Q488 H489 K490 L496 | Q488-L492 HydrophobicContact CG-CD1 4.41Å; Q488-L492 VanDerWaalsContact O-CG 3.3Å; Q488-L492 WeakPolarHBondContact O-CG 3.43Å; Q488-L492 PolarHBondContact O-N 3.3Å; Q488-L492 VanDerWaalsContact O-N 3.11Å; H489-L492 PolarHBondContact O-N 2.72Å; K490-L492 PolarHBondContact O-N 2.75Å; K490-L492 VanDerWaalsContact O-N 3.07Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 WeakPolarHBondContact O-CD1 3.28Å; L492-L496 VanDerWaalsContact O-CG 3.22Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 3.39Å |
| 493 | C | 95.6 | Very high | 95.4 | Very high | 41 Ų | 41 | 87.7 Ų | 87.7 | 28% | 0.277 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 171.1 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | H489 K490 K495 L496 E497 | H489-C493 PolarHBondContact CE1-SG 2.96Å; H489-C493 PolarHBondContact O-N 3.33Å; H489-C493 PolarHBondContact O-SG 2.92Å; H489-C493 VanDerWaalsContact O-SG 3.39Å; K490-C493 CarbonylContact O-C 3.56Å; K490-C493 WeakPolarHBondContact O-CA 3.34Å; K490-C493 WeakPolarHBondContact O-CB 3.44Å; K490-C493 PolarHBondContact O-N 3.02Å; C493-K495 VanDerWaalsContact C-N 3.28Å; C493-K495 PolarHBondContact O-N 3.37Å; C493-L496 PolarHBondContact O-N 2.89Å; C493-E497 WeakPolarHBondContact O-CG 3.28Å; C493-E497 PolarHBondContact O-N 2.94Å |
| 494 | D | 95.6 | Very high | 95.6 | Very high | 94 Ų | 94 | 89.3 Ų | 89.3 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -54.7 | -44.9 | -179.6 | -53 | -34.1 | 0 | 0 | 0 | 110.9 | K490 Q491 E497 E498 | K490-D494 VanDerWaalsContact C-OD2 3.3Å; K490-D494 PolarHBondContact O-N 2.96Å; K490-D494 VanDerWaalsContact O-OD2 3.09Å; Q491-D494 WeakPolarHBondContact CA-OD2 3.45Å; D494-E497 PolarHBondContact O-N 3.24Å; D494-E498 PolarHBondContact O-N 3.04Å |
| 495 | K | 95.8 | Very high | 95.8 | Very high | 111 Ų | 111 | 91.9 Ų | 91.9 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.6 | -32.3 | 177 | -72.9 | 168.9 | -174.3 | 170 | 0 | 113.7 | Q491 C493 Q499 | Q491-K495 WeakPolarHBondContact O-CB 3.5Å; Q491-K495 VanDerWaalsContact O-CD 3.28Å; Q491-K495 WeakPolarHBondContact O-CD 3.34Å; Q491-K495 WeakPolarHBondContact O-CG 3.32Å; Q491-K495 PolarHBondContact O-N 3.25Å; C493-K495 VanDerWaalsContact C-N 3.28Å; C493-K495 PolarHBondContact O-N 3.37Å; K495-Q499 WeakPolarHBondContact O-CB 3.47Å; K495-Q499 VanDerWaalsContact O-CG 3.28Å; K495-Q499 WeakPolarHBondContact O-CG 3.36Å; K495-Q499 PolarHBondContact O-N 3.38Å |
| 496 | L | 97.3 | Very high | 96.1 | Very high | 100 Ų | 100 | 92.2 Ų | 92.2 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73 | -38.6 | 174.4 | -74.4 | 167.9 | 0 | 0 | 0 | 111.3 | L492 C493 E498 Q499 L500 | L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 WeakPolarHBondContact O-CD1 3.28Å; L492-L496 VanDerWaalsContact O-CG 3.22Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 3.39Å; C493-L496 PolarHBondContact O-N 2.89Å; L496-E498 VanDerWaalsContact C-N 3.35Å; L496-Q499 PolarHBondContact O-N 3.32Å; L496-L500 WeakPolarHBondContact O-CB 3.16Å; L496-L500 VanDerWaalsContact O-CG 3.29Å; L496-L500 WeakPolarHBondContact O-CG 3.24Å; L496-L500 PolarHBondContact O-N 3.3Å |
| 497 | E | 96.5 | Very high | 96.3 | Very high | 115 Ų | 115 | 94.1 Ų | 94.1 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 174.2 | -71.7 | 178.9 | -154.5 | 0 | 0 | 111.7 | C493 D494 Q501 | C493-E497 WeakPolarHBondContact O-CG 3.28Å; C493-E497 PolarHBondContact O-N 2.94Å; D494-E497 PolarHBondContact O-N 3.24Å; E497-Q501 VanDerWaalsContact O-CG 3.3Å; E497-Q501 WeakPolarHBondContact O-CG 3.3Å; E497-Q501 PolarHBondContact O-N 2.97Å; E497-Q501 PolarHBondContact O-NE2 3.37Å; E497-Q501 VanDerWaalsContact O-NE2 3.13Å |
| 498 | E | 97.3 | Very high | 96.5 | Very high | 113 Ų | 113 | 98.3 Ų | 98.3 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 170.9 | -176.1 | -175.9 | -175.9 | 0 | 0 | 112 | D494 L496 L500 Q501 N502 | D494-E498 PolarHBondContact O-N 3.04Å; L496-E498 VanDerWaalsContact C-N 3.35Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 3.31Å; E498-Q501 PolarHBondContact O-N 2.57Å; E498-N502 WeakPolarHBondContact O-CB 3.46Å; E498-N502 PolarHBondContact O-N 3.25Å; E498-N502 PolarHBondContact O-ND2 3.13Å |
| 499 | Q | 97.9 | Very high | 96.7 | Very high | 117 Ų | 117 | 99.3 Ų | 99.3 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.1 | -77.4 | 177.5 | 0.6 | 0 | 0 | 112.4 | K495 L496 N502 L503 | K495-Q499 WeakPolarHBondContact O-CB 3.47Å; K495-Q499 VanDerWaalsContact O-CG 3.28Å; K495-Q499 WeakPolarHBondContact O-CG 3.36Å; K495-Q499 PolarHBondContact O-N 3.38Å; L496-Q499 PolarHBondContact O-N 3.32Å; Q499-N502 PolarHBondContact O-N 3.32Å; Q499-L503 WeakPolarHBondContact O-CG 3.29Å; Q499-L503 PolarHBondContact O-N 3.47Å |
| 500 | L | 97.4 | Very high | 96.8 | Very high | 114 Ų | 114 | 100.1 Ų | 100.1 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 174.4 | -73.4 | 169.6 | 0 | 0 | 0 | 111.2 | L496 E498 N502 L503 D504 | L496-L500 WeakPolarHBondContact O-CB 3.16Å; L496-L500 VanDerWaalsContact O-CG 3.29Å; L496-L500 WeakPolarHBondContact O-CG 3.24Å; L496-L500 PolarHBondContact O-N 3.3Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 3.31Å; L500-N502 VanDerWaalsContact C-N 3.31Å; L500-N502 PolarHBondContact O-N 3.24Å; L500-L503 PolarHBondContact O-N 3.45Å; L500-D504 WeakPolarHBondContact O-CB 3.49Å; L500-D504 PolarHBondContact O-N 2.76Å |
| 501 | Q | 97.9 | Very high | 97 | Very high | 130 Ų | 130 | 97.4 Ų | 97.4 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.2 | -39.6 | 176.5 | -75.2 | 171 | 70.2 | 0 | 0 | 112.6 | E497 E498 D504 A505 | E497-Q501 VanDerWaalsContact O-CG 3.3Å; E497-Q501 WeakPolarHBondContact O-CG 3.3Å; E497-Q501 PolarHBondContact O-N 2.97Å; E497-Q501 PolarHBondContact O-NE2 3.37Å; E497-Q501 VanDerWaalsContact O-NE2 3.13Å; E498-Q501 PolarHBondContact O-N 2.57Å; Q501-D504 WeakPolarHBondContact O-CB 3.38Å; Q501-D504 PolarHBondContact O-N 2.69Å; Q501-A505 WeakPolarHBondContact O-CB 3.44Å; Q501-A505 PolarHBondContact O-N 3.38Å |
| 502 | N | 97.8 | Very high | 97.1 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69 | -39 | 177.4 | -75.4 | -32.2 | 0 | 0 | 0 | 112.7 | E498 Q499 L500 S506 | E498-N502 WeakPolarHBondContact O-CB 3.46Å; E498-N502 PolarHBondContact O-N 3.25Å; E498-N502 PolarHBondContact O-ND2 3.13Å; Q499-N502 PolarHBondContact O-N 3.32Å; L500-N502 VanDerWaalsContact C-N 3.31Å; L500-N502 PolarHBondContact O-N 3.24Å; N502-S506 VanDerWaalsContact O-CB 3.28Å; N502-S506 WeakPolarHBondContact O-CB 3.38Å; N502-S506 PolarHBondContact O-N 3.04Å |
| 503 | L | 98.1 | Very high | 97.1 | Very high | 110 Ų | 110 | 98.9 Ų | 98.9 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 171.4 | -71.5 | 173.2 | 0 | 0 | 0 | 111.4 | Q499 L500 S506 L507 | Q499-L503 WeakPolarHBondContact O-CG 3.29Å; Q499-L503 PolarHBondContact O-N 3.47Å; L500-L503 PolarHBondContact O-N 3.45Å; L503-S506 WeakPolarHBondContact O-CB 3.29Å; L503-S506 PolarHBondContact O-N 3.41Å; L503-L507 WeakPolarHBondContact O-CG 3.39Å; L503-L507 PolarHBondContact O-N 3.01Å |
| 504 | D | 97.8 | Very high | 97.1 | Very high | 80 Ų | 80 | 102.4 Ų | 102.4 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.7 | -125.1 | 33.9 | 0 | 0 | 0 | 111.7 | L500 Q501 L507 K508 | L500-D504 WeakPolarHBondContact O-CB 3.49Å; L500-D504 PolarHBondContact O-N 2.76Å; Q501-D504 WeakPolarHBondContact O-CB 3.38Å; Q501-D504 PolarHBondContact O-N 2.69Å; D504-L507 PolarHBondContact O-N 3.05Å; D504-K508 VanDerWaalsContact O-CB 3.24Å; D504-K508 WeakPolarHBondContact O-CB 3.46Å; D504-K508 VanDerWaalsContact O-CD 3.29Å; D504-K508 WeakPolarHBondContact O-CD 3.24Å; D504-K508 WeakPolarHBondContact O-CG 3.29Å; D504-K508 PolarHBondContact O-N 3.23Å; D504-K508 IonicContact OD2-NZ 2.63Å; D504-K508 PolarHBondContact OD2-NZ 3.01Å |
| 505 | A | 97.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 103.2 Ų | 103.2 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q501 K508 K509 | Q501-A505 WeakPolarHBondContact O-CB 3.44Å; Q501-A505 PolarHBondContact O-N 3.38Å; A505-K508 CarbonylContact O-C 3.51Å; A505-K508 PolarHBondContact O-N 2.85Å; A505-K509 WeakPolarHBondContact O-CB 3.48Å; A505-K509 PolarHBondContact O-N 3.34Å |
| 506 | S | 97.6 | Very high | 97 | Very high | 72 Ų | 72 | 104 Ų | 104 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | N502 L503 K508 K509 K510 | N502-S506 VanDerWaalsContact O-CB 3.28Å; N502-S506 WeakPolarHBondContact O-CB 3.38Å; N502-S506 PolarHBondContact O-N 3.04Å; L503-S506 WeakPolarHBondContact O-CB 3.29Å; L503-S506 PolarHBondContact O-N 3.41Å; S506-K508 PolarHBondContact O-N 3.36Å; S506-K509 PolarHBondContact O-N 2.89Å; S506-K509 VanDerWaalsContact O-N 3.16Å; S506-K510 WeakPolarHBondContact O-CB 3.28Å; S506-K510 PolarHBondContact O-N 2.84Å |
| 507 | L | 97.6 | Very high | 96.8 | Very high | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 173.6 | -70.5 | 174.4 | 0 | 0 | 0 | 111.2 | L503 D504 K509 K510 E511 | L503-L507 WeakPolarHBondContact O-CG 3.39Å; L503-L507 PolarHBondContact O-N 3.01Å; D504-L507 PolarHBondContact O-N 3.05Å; L507-K509 VanDerWaalsContact C-N 3.3Å; L507-K509 PolarHBondContact O-N 3.42Å; L507-K510 WeakPolarHBondContact O-CB 3.46Å; L507-K510 PolarHBondContact O-N 3.13Å; L507-E511 VanDerWaalsContact O-CB 3.32Å; L507-E511 WeakPolarHBondContact O-CB 3.18Å; L507-E511 PolarHBondContact O-N 2.94Å |
| 508 | K | 97.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 105.5 Ų | 105.5 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -26.5 | 176.1 | -72.7 | 163.6 | -174.4 | 166.5 | 0 | 112.8 | D504 A505 S506 R512 | D504-K508 VanDerWaalsContact O-CB 3.24Å; D504-K508 WeakPolarHBondContact O-CB 3.46Å; D504-K508 VanDerWaalsContact O-CD 3.29Å; D504-K508 WeakPolarHBondContact O-CD 3.24Å; D504-K508 WeakPolarHBondContact O-CG 3.29Å; D504-K508 PolarHBondContact O-N 3.23Å; D504-K508 IonicContact OD2-NZ 2.63Å; D504-K508 PolarHBondContact OD2-NZ 3.01Å; A505-K508 CarbonylContact O-C 3.51Å; A505-K508 PolarHBondContact O-N 2.85Å; S506-K508 PolarHBondContact O-N 3.36Å; K508-R512 VanDerWaalsContact O-CG 3.31Å; K508-R512 WeakPolarHBondContact O-CG 3.46Å; K508-R512 PolarHBondContact O-N 3.3Å; K508-R512 PolarHBondContact O-NH1 3.27Å |
| 509 | K | 97.6 | Very high | 96.4 | Very high | 128 Ų | 128 | 107.4 Ų | 107.4 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -78.7 | -41.6 | 172.6 | -155.8 | 165.8 | -169.8 | 168.8 | 0 | 110.3 | A505 S506 L507 R512 A513 D872 | A505-K509 WeakPolarHBondContact O-CB 3.48Å; A505-K509 PolarHBondContact O-N 3.34Å; S506-K509 PolarHBondContact O-N 2.89Å; S506-K509 VanDerWaalsContact O-N 3.16Å; L507-K509 VanDerWaalsContact C-N 3.3Å; L507-K509 PolarHBondContact O-N 3.42Å; K509-R512 PolarHBondContact O-N 3.44Å; K509-A513 WeakPolarHBondContact O-CB 3.47Å; K509-A513 PolarHBondContact O-N 3.44Å; K509-D872 IonicContact NZ-OD2 2.7Å; K509-D872 PolarHBondContact NZ-OD2 2.82Å |
| 510 | K | 96.8 | Very high | 96 | Very high | 139 Ų | 139 | 105.5 Ų | 105.5 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -50 | 174.4 | -176.3 | -176.6 | 176.4 | -173.2 | 0 | 112.1 | S506 L507 R512 A513 E514 | S506-K510 WeakPolarHBondContact O-CB 3.28Å; S506-K510 PolarHBondContact O-N 2.84Å; L507-K510 WeakPolarHBondContact O-CB 3.46Å; L507-K510 PolarHBondContact O-N 3.13Å; K510-R512 PolarHBondContact O-N 3.12Å; K510-A513 CarbonylContact O-C 3.33Å; K510-A513 WeakPolarHBondContact O-CA 3.3Å; K510-A513 WeakPolarHBondContact O-CB 3.22Å; K510-A513 PolarHBondContact O-N 3.12Å; K510-E514 WeakPolarHBondContact O-CB 3.11Å; K510-E514 PolarHBondContact O-N 2.87Å |
| 511 | E | 97.7 | Very high | 95.6 | Very high | 77 Ų | 77 | 105.4 Ų | 105.4 | 36% | 0.36 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 178.9 | -171.7 | -135.4 | -154.9 | 0 | 0 | 111.9 | L507 E514 R515 | L507-E511 VanDerWaalsContact O-CB 3.32Å; L507-E511 WeakPolarHBondContact O-CB 3.18Å; L507-E511 PolarHBondContact O-N 2.94Å; E511-E514 PolarHBondContact O-N 3.03Å; E511-R515 PolarHBondContact O-N 3.42Å; E511-R515 IonicContact OE1-CZ 3.87Å; E511-R515 IonicContact OE1-NH1 3.64Å; E511-R515 PolarHBondContact OE1-NH1 3.05Å; E511-R515 IonicContact OE1-NH2 3.52Å; E511-R515 PolarHBondContact OE1-NH2 3.01Å; E511-R515 IonicContact OE2-CZ 3.85Å; E511-R515 IonicContact OE2-NH1 2.9Å; E511-R515 PolarHBondContact OE2-NH1 3.09Å |
| 512 | R | 97.2 | Very high | 95.2 | Very high | 141 Ų | 141 | 104.7 Ų | 104.7 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 171 | -75.4 | 175.7 | 178.8 | 80.8 | -11.8 | 112.4 | K508 K509 K510 R516 | K508-R512 VanDerWaalsContact O-CG 3.31Å; K508-R512 WeakPolarHBondContact O-CG 3.46Å; K508-R512 PolarHBondContact O-N 3.3Å; K508-R512 PolarHBondContact O-NH1 3.27Å; K509-R512 PolarHBondContact O-N 3.44Å; K510-R512 PolarHBondContact O-N 3.12Å; R512-R516 VanDerWaalsContact O-CG 3.26Å; R512-R516 WeakPolarHBondContact O-CG 3.48Å; R512-R516 PolarHBondContact O-N 3.28Å; R512-R516 VanDerWaalsContact O-N 3.12Å |
| 513 | A | 94.9 | Very high | 95 | Very high | 37 Ų | 37 | 103.7 Ų | 103.7 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K509 K510 R516 K517 | K509-A513 WeakPolarHBondContact O-CB 3.47Å; K509-A513 PolarHBondContact O-N 3.44Å; K510-A513 CarbonylContact O-C 3.33Å; K510-A513 WeakPolarHBondContact O-CA 3.3Å; K510-A513 WeakPolarHBondContact O-CB 3.22Å; K510-A513 PolarHBondContact O-N 3.12Å; A513-R516 WeakPolarHBondContact O-CB 3.44Å; A513-R516 PolarHBondContact O-N 3.39Å; A513-K517 WeakPolarHBondContact O-CG 3.42Å; A513-K517 PolarHBondContact O-N 3.09Å |
| 514 | E | 95.6 | Very high | 94.2 | Very high | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -49.9 | 175.5 | -177.2 | 153.2 | -127.5 | 0 | 0 | 111.9 | K510 E511 R516 K517 E518 | K510-E514 WeakPolarHBondContact O-CB 3.11Å; K510-E514 PolarHBondContact O-N 2.87Å; E511-E514 PolarHBondContact O-N 3.03Å; E514-R516 PolarHBondContact O-N 3.08Å; E514-R516 VanDerWaalsContact O-N 3.16Å; E514-K517 CarbonylContact O-C 3.41Å; E514-K517 WeakPolarHBondContact O-CA 3.46Å; E514-K517 WeakPolarHBondContact O-CB 3.4Å; E514-K517 PolarHBondContact O-N 2.85Å; E514-E518 WeakPolarHBondContact O-CB 3.38Å; E514-E518 PolarHBondContact O-N 2.57Å |
| 515 | R | 96.6 | Very high | 93.1 | Very high | 110 Ų | 110 | 101.6 Ų | 101.6 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -21.3 | 171.7 | -66.2 | -163.2 | -172.2 | 104.2 | 5.7 | 113.2 | E511 R519 | E511-R515 PolarHBondContact O-N 3.42Å; E511-R515 IonicContact OE1-CZ 3.87Å; E511-R515 IonicContact OE1-NH1 3.64Å; E511-R515 PolarHBondContact OE1-NH1 3.05Å; E511-R515 IonicContact OE1-NH2 3.52Å; E511-R515 PolarHBondContact OE1-NH2 3.01Å; E511-R515 IonicContact OE2-CZ 3.85Å; E511-R515 IonicContact OE2-NH1 2.9Å; E511-R515 PolarHBondContact OE2-NH1 3.09Å; R515-R519 WeakPolarHBondContact O-CD 3.4Å; R515-R519 WeakPolarHBondContact O-CG 3.38Å; R515-R519 PolarHBondContact O-N 2.87Å; R515-R519 PolarHBondContact O-NE 3.44Å |
| 516 | R | 92.4 | Very high | 91.4 | Very high | 127 Ų | 127 | 100.6 Ų | 100.6 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.7 | -47 | 166.9 | -71.5 | 165.2 | 178.3 | 137.7 | -16.7 | 110.8 | R512 A513 E514 R519 L520 D870 | R512-R516 VanDerWaalsContact O-CG 3.26Å; R512-R516 WeakPolarHBondContact O-CG 3.48Å; R512-R516 PolarHBondContact O-N 3.28Å; R512-R516 VanDerWaalsContact O-N 3.12Å; A513-R516 WeakPolarHBondContact O-CB 3.44Å; A513-R516 PolarHBondContact O-N 3.39Å; E514-R516 PolarHBondContact O-N 3.08Å; E514-R516 VanDerWaalsContact O-N 3.16Å; R516-R519 PolarHBondContact O-N 2.99Å; R516-L520 VanDerWaalsContact O-CD1 3.25Å; R516-L520 WeakPolarHBondContact O-CD1 3.27Å; R516-L520 PolarHBondContact O-N 3.43Å; R516-L520 VanDerWaalsContact O-N 3.14Å; R516-D870 IonicContact NH2-OD2 2.9Å |
| 517 | K | 93.2 | Very high | 89.6 | Confident | 137 Ų | 137 | 101.3 Ų | 101.3 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.8 | -49.6 | 175.9 | -68.8 | 172.4 | -177.5 | 178.9 | 0 | 112.3 | A513 E514 R519 L520 I521 | A513-K517 WeakPolarHBondContact O-CG 3.42Å; A513-K517 PolarHBondContact O-N 3.09Å; E514-K517 CarbonylContact O-C 3.41Å; E514-K517 WeakPolarHBondContact O-CA 3.46Å; E514-K517 WeakPolarHBondContact O-CB 3.4Å; E514-K517 PolarHBondContact O-N 2.85Å; K517-R519 VanDerWaalsContact C-N 3.31Å; K517-R519 PolarHBondContact O-N 3.44Å; K517-L520 WeakPolarHBondContact O-CA 3.31Å; K517-L520 WeakPolarHBondContact O-CB 3.48Å; K517-L520 PolarHBondContact O-N 2.75Å; K517-I521 WeakPolarHBondContact O-CG1 3.3Å; K517-I521 PolarHBondContact O-N 3.18Å |
| 518 | E | 92.4 | Very high | 88 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -53.4 | -46.6 | 177 | -171.7 | -139.9 | 149.5 | 0 | 0 | 111.5 | E514 L520 I521 Y522 | E514-E518 WeakPolarHBondContact O-CB 3.38Å; E514-E518 PolarHBondContact O-N 2.57Å; E518-L520 VanDerWaalsContact C-N 3.34Å; E518-L520 PolarHBondContact O-N 3.11Å; E518-I521 PolarHBondContact O-N 2.99Å; E518-Y522 WeakPolarHBondContact O-CB 3.48Å; E518-Y522 PolarHBondContact O-N 3.39Å |
| 519 | R | 93.1 | Very high | 86.1 | Confident | 154 Ų | 154 | 104 Ų | 104 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -34.2 | 175.5 | -69.5 | 165.6 | -163.3 | 174.8 | 3.4 | 113.1 | R515 R516 K517 V523 | R515-R519 WeakPolarHBondContact O-CD 3.4Å; R515-R519 WeakPolarHBondContact O-CG 3.38Å; R515-R519 PolarHBondContact O-N 2.87Å; R515-R519 PolarHBondContact O-NE 3.44Å; R516-R519 PolarHBondContact O-N 2.99Å; K517-R519 VanDerWaalsContact C-N 3.31Å; K517-R519 PolarHBondContact O-N 3.44Å; R519-V523 WeakPolarHBondContact O-CB 3.42Å; R519-V523 WeakPolarHBondContact O-CG2 3.24Å; R519-V523 PolarHBondContact O-N 3.23Å; R519-V523 VanDerWaalsContact O-N 3.13Å |
| 520 | L | 89.2 | Confident | 84.3 | Confident | 76 Ų | 76 | 104 Ų | 104 | 40% | 0.398 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -46.3 | 174.1 | -97.5 | 74.3 | 0 | 0 | 0 | 111.2 | R516 K517 E518 V523 G524 I525 V527 | R516-L520 VanDerWaalsContact O-CD1 3.25Å; R516-L520 WeakPolarHBondContact O-CD1 3.27Å; R516-L520 PolarHBondContact O-N 3.43Å; R516-L520 VanDerWaalsContact O-N 3.14Å; K517-L520 WeakPolarHBondContact O-CA 3.31Å; K517-L520 WeakPolarHBondContact O-CB 3.48Å; K517-L520 PolarHBondContact O-N 2.75Å; E518-L520 VanDerWaalsContact C-N 3.34Å; E518-L520 PolarHBondContact O-N 3.11Å; L520-V523 PolarHBondContact O-N 3.07Å; L520-G524 PolarHBondContact O-N 3.21Å; L520-I525 CarbonylContact C-O 3.58Å; L520-I525 CarbonylContact O-C 3.33Å; L520-I525 PolarHBondContact O-N 2.99Å; L520-V527 HydrophobicContact CD2-CG2 4.11Å |
| 521 | I | 88.3 | Confident | 82.6 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.6 | -50.7 | 175.8 | -65.8 | 163.3 | 0 | 0 | 0 | 110.1 | K517 E518 V523 G524 | K517-I521 WeakPolarHBondContact O-CG1 3.3Å; K517-I521 PolarHBondContact O-N 3.18Å; E518-I521 PolarHBondContact O-N 2.99Å; I521-V523 VanDerWaalsContact C-N 3.26Å; I521-V523 PolarHBondContact O-N 3.25Å; I521-G524 WeakPolarHBondContact O-CA 3.22Å; I521-G524 PolarHBondContact O-N 2.84Å |
| 522 | Y | 90.8 | Very high | 80.1 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -29 | 177.9 | -175 | -93.5 | 0 | 0 | 0 | 113.8 | E518 G524 D855 R856 I858 | E518-Y522 WeakPolarHBondContact O-CB 3.48Å; E518-Y522 PolarHBondContact O-N 3.39Å; Y522-G524 PolarHBondContact O-N 2.9Å; Y522-D855 PolarHBondContact OH-OD2 3.33Å; Y522-R856 VanDerWaalsContact CZ-NH1 3.33Å; Y522-R856 PolarHBondContact OH-NH1 2.74Å; Y522-I858 WeakPolarHBondContact OH-CD1 3.19Å |
| 523 | V | 93.3 | Very high | 77.8 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.8 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | R519 L520 I521 I525 | R519-V523 WeakPolarHBondContact O-CB 3.42Å; R519-V523 WeakPolarHBondContact O-CG2 3.24Å; R519-V523 PolarHBondContact O-N 3.23Å; R519-V523 VanDerWaalsContact O-N 3.13Å; L520-V523 PolarHBondContact O-N 3.07Å; I521-V523 VanDerWaalsContact C-N 3.26Å; I521-V523 PolarHBondContact O-N 3.25Å; V523-I525 HydrophobicContact CG1-CD1 3.78Å; V523-I525 HydrophobicContact CG1-CG1 4.08Å |
| 524 | G | 81.2 | Confident | 75.4 | Confident | 67 Ų | 67 | 105.7 Ų | 105.7 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 24.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L520 I521 Y522 | L520-G524 PolarHBondContact O-N 3.21Å; I521-G524 WeakPolarHBondContact O-CA 3.22Å; I521-G524 PolarHBondContact O-N 2.84Å; Y522-G524 PolarHBondContact O-N 2.9Å |
| 525 | I | 75.1 | Confident | 73.3 | Confident | 80 Ų | 80 | 106.6 Ų | 106.6 | 41% | 0.41 | 56% | 0.56 | S | S | . | * | | | trans | -118.1 | 74.7 | 178.3 | -53.1 | 173.3 | 0 | 0 | 0 | 107.1 | L520 V523 I530 | L520-I525 CarbonylContact C-O 3.58Å; L520-I525 CarbonylContact O-C 3.33Å; L520-I525 PolarHBondContact O-N 2.99Å; V523-I525 HydrophobicContact CG1-CD1 3.78Å; V523-I525 HydrophobicContact CG1-CG1 4.08Å; I525-I530 HydrophobicContact CG2-CD1 3.79Å |
| 526 | S | 61.4 | Low | 70.9 | Confident | 33 Ų | 33 | 109.9 Ų | 109.9 | 23% | 0.231 | 58% | 0.58 | C | S | . | * | | | trans | -69.6 | 141.8 | 168.2 | 85.7 | 0 | 0 | 0 | 0 | 109.2 | E528 N529 | S526-E528 VanDerWaalsContact C-N 3.3Å; S526-E528 WeakPolarHBondContact CB-OE2 3.31Å; S526-E528 PolarHBondContact O-N 2.88Å; S526-E528 PolarHBondContact OG-OE2 3.3Å; S526-N529 PolarHBondContact O-N 2.97Å |
| 527 | V | 60.2 | Low | 68.6 | Low | 87 Ų | 87 | 110 Ų | 110 | 53% | 0.527 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -71.9 | -33.9 | -168.9 | -179 | 0 | 0 | 0 | 0 | 109.8 | L520 N529 I530 | L520-V527 HydrophobicContact CD2-CG2 4.11Å; V527-N529 PolarHBondContact O-N 3.39Å; V527-I530 PolarHBondContact O-N 2.77Å |
| 528 | E | 62.4 | Low | 66.2 | Low | 133 Ų | 133 | 113 Ų | 113 | 62% | 0.621 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -55.5 | -33.6 | 174.7 | -36.5 | 77.6 | -107.9 | 0 | 0 | 112.7 | S526 I530 I531 | S526-E528 VanDerWaalsContact C-N 3.3Å; S526-E528 WeakPolarHBondContact CB-OE2 3.31Å; S526-E528 PolarHBondContact O-N 2.88Å; S526-E528 PolarHBondContact OG-OE2 3.3Å; E528-I530 VanDerWaalsContact C-N 3.31Å; E528-I530 PolarHBondContact O-N 3.07Å; E528-I531 CarbonylContact O-C 3.46Å; E528-I531 PolarHBondContact O-N 2.99Å; E528-I531 VanDerWaalsContact O-O 3.12Å |
| 529 | N | 58 | Low | 63.7 | Low | 129 Ų | 129 | 116.5 Ų | 116.5 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -83.3 | -5.9 | -172.4 | -143.4 | -3.2 | 0 | 0 | 0 | 113.7 | S526 V527 | S526-N529 PolarHBondContact O-N 2.97Å; V527-N529 PolarHBondContact O-N 3.39Å |
| 530 | I | 60.6 | Low | 61 | Low | 128 Ų | 128 | 117.4 Ų | 117.4 | 66% | 0.656 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -30 | 172.2 | -64.6 | 179.4 | 0 | 0 | 0 | 111 | I525 V527 E528 | I525-I530 HydrophobicContact CG2-CD1 3.79Å; V527-I530 PolarHBondContact O-N 2.77Å; E528-I530 VanDerWaalsContact C-N 3.31Å; E528-I530 PolarHBondContact O-N 3.07Å |
| 531 | I | 60.2 | Low | 58.2 | Low | 125 Ų | 125 | 122 Ų | 122 | 64% | 0.641 | 65% | 0.654 | S | S | * | * | | | trans | -114.9 | 82.5 | 174.2 | -51 | 179.1 | 0 | 0 | 0 | 108.6 | E528 P533 | E528-I531 CarbonylContact O-C 3.46Å; E528-I531 PolarHBondContact O-N 2.99Å; E528-I531 VanDerWaalsContact O-O 3.12Å; I531-P533 WeakPolarHBondContact O-CD 3.48Å |
| 532 | T | 45.3 | Very low | 55.9 | Low | 89 Ų | 89 | 123.1 Ų | 123.1 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | | | trans | -72.4 | 115.8 | 152.6 | 40.4 | 0 | 0 | 0 | 0 | 107.6 | S534 | T532-S534 PolarHBondContact O-N 2.82Å; T532-S534 PolarHBondContact O-OG 2.62Å |
| 533 | P | 49.8 | Very low | 53.2 | Low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | | | trans | -71.1 | 73.7 | 167.3 | 32 | -34.9 | 0 | 0 | 0 | 108.2 | I531 V535 | I531-P533 WeakPolarHBondContact O-CD 3.48Å; P533-V535 PolarHBondContact O-N 3.19Å |
| 534 | S | 44.5 | Very low | 50.3 | Low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | | | trans | -79.9 | 43.9 | -171.7 | 37.9 | 0 | 0 | 0 | 0 | 112.5 | T532 | T532-S534 PolarHBondContact O-N 2.82Å; T532-S534 PolarHBondContact O-OG 2.62Å |
| 535 | V | 50.5 | Low | 48.4 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | | | trans | -136.5 | 92 | 163.8 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | P533 | P533-V535 PolarHBondContact O-N 3.19Š|
| 536 | E | 47.1 | Very low | 46.6 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | | | trans | -68.4 | 142.2 | 171.2 | -66.6 | 174.9 | 140.6 | 0 | 0 | 110.7 | | |
| 537 | V | 44.8 | Very low | 45.7 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | trans | 44.3 | 101.7 | 148.9 | -173.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 538 | E | 41.8 | Very low | 44.7 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | | | | -135.2 | 117.8 | 118.6 | -76.9 | -160.6 | 155.3 | 0 | 0 | 109.4 | | |
| 539 | Q | 40.3 | Very low | 43.8 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | -111.1 | 164.7 | 159.1 | -76.2 | -170.4 | -6.9 | 0 | 0 | 108.7 | | |
| 540 | E | 36.2 | Very low | 42.9 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | 67.1 | 83.8 | -179.3 | -56.6 | -164.9 | 173.5 | 0 | 0 | 117.9 | | |
| 541 | K | 31.1 | Very low | 41.9 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | | -178.4 | 140.3 | 100.9 | -97.9 | 157.4 | -172.1 | 164.6 | 0 | 114.7 | E543 | K541-E543 PolarHBondContact O-N 3.03Š|
| 542 | P | 39.6 | Very low | 41.2 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -85.8 | 88 | 165.7 | 34.1 | -31.4 | 0 | 0 | 0 | 110.7 | | |
| 543 | E | 33.1 | Very low | 41.3 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -117.4 | 103.3 | 177.6 | -164.6 | 159.8 | -151.8 | 0 | 0 | 114.1 | K541 | K541-E543 PolarHBondContact O-N 3.03Š|
| 544 | V | 33.8 | Very low | 41 | Very low | 122 Ų | 122 | 162 Ų | 162 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | 28.5 | 123.5 | 146.5 | -170.1 | 0 | 0 | 0 | 0 | 119.5 | I546 | V544-I546 PolarHBondContact O-N 3.38Å; V544-I546 VanDerWaalsContact O-N 3.16Å |
| 545 | V | 41.1 | Very low | 40.7 | Very low | 131 Ų | 131 | 162.8 Ų | 162.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | -52.6 | 112.3 | 172.2 | -179.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 546 | I | 37.3 | Very low | 40.8 | Very low | 154 Ų | 154 | 165 Ų | 165 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -132.5 | 125.5 | 154.4 | -58.3 | -177.2 | 0 | 0 | 0 | 109.6 | V544 | V544-I546 PolarHBondContact O-N 3.38Å; V544-I546 VanDerWaalsContact O-N 3.16Å |
| 547 | K | 43.1 | Very low | 40.6 | Very low | 184 Ų | 184 | 161.8 Ų | 161.8 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | -85.5 | 134.3 | 169 | -61.8 | 174.5 | 179.7 | 177.1 | 0 | 109.2 | | |
| 548 | E | 37.8 | Very low | 40.2 | Very low | 164 Ų | 164 | 167.9 Ų | 167.9 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | | -164.4 | 174.2 | 128 | -110.4 | -163.9 | 160.5 | 0 | 0 | 115.7 | | |
| 549 | K | 44.3 | Very low | 40.4 | Very low | 170 Ų | 170 | 161.6 Ų | 161.6 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | -79.2 | 159.1 | -164.7 | -39.3 | 101.6 | 179.1 | 174.7 | 0 | 113 | | |
| 550 | K | 38.9 | Very low | 40.5 | Very low | 178 Ų | 178 | 164 Ų | 164 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | | | | 162.9 | 118.7 | 101.8 | -173.2 | 167 | -174.4 | 177.7 | 0 | 117 | | |
| 551 | E | 39.3 | Very low | 40.8 | Very low | 160 Ų | 160 | 166.6 Ų | 166.6 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | trans | 41.8 | 103.4 | 145 | -57.8 | 177.8 | 140.1 | 0 | 0 | 123.3 | | |
| 552 | A | 44.5 | Very low | 41.7 | Very low | 92 Ų | 92 | 162.6 Ų | 162.6 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | | 59.6 | 135.1 | 114.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 553 | K | 48.2 | Very low | 42.4 | Very low | 215 Ų | 215 | 163.6 Ų | 163.6 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | -148.9 | 157.7 | 141.8 | -101.7 | 132.8 | -172.7 | 171.5 | 0 | 111.6 | | |
| 554 | R | 44.2 | Very low | 43.5 | Very low | 252 Ų | 252 | 165.9 Ų | 165.9 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | | | trans | -112.7 | 135.6 | -164.6 | -64.4 | 156.5 | 66.2 | -166.6 | 6.4 | 113.1 | | |
| 555 | S | 38.6 | Very low | 44.4 | Very low | 121 Ų | 121 | 164.5 Ų | 164.5 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -167 | 140.9 | 163.3 | 170.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 556 | K | 52.4 | Low | 45.4 | Very low | 182 Ų | 182 | 167.3 Ų | 167.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | cis | -148.7 | 132.2 | -17.3 | 177.7 | 78.4 | 172.1 | -166 | 0 | 106.8 | | |
| 557 | S | 41.4 | Very low | 46.9 | Very low | 110 Ų | 110 | 169 Ų | 169 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -75.4 | 127.7 | -170.2 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 558 | W | 38 | Very low | 47.5 | Very low | 258 Ų | 258 | 166.7 Ų | 166.7 | 98% | 0.977 | 82% | 0.816 | S | S | * | * | | | trans | -123.2 | 132.9 | 151 | -80.3 | 68.1 | 0 | 0 | 0 | 108.2 | | |
| 559 | G | 44.6 | Very low | 48.3 | Very low | 68 Ų | 68 | 163.2 Ų | 163.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | -161.2 | 163.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 560 | R | 43 | Very low | 49.1 | Very low | 232 Ų | 232 | 158.1 Ų | 158.1 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | | | trans | 85.9 | 129.9 | -166.2 | -58.8 | 179.3 | 178.2 | -84.5 | 1.6 | 113.3 | | |
| 561 | R | 42.6 | Very low | 50 | Low | 229 Ų | 229 | 157.9 Ų | 157.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | cis | -131.9 | 128 | -0.2 | -63.8 | 89.6 | 177.6 | -79 | 4.7 | 111.7 | | |
| 562 | S | 49.3 | Very low | 51.6 | Low | 87 Ų | 87 | 158.3 Ų | 158.3 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | | | trans | -141.8 | 137.7 | 139.6 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | R564 | S562-R564 PolarHBondContact OG-N 2.94Å; S562-R564 PolarHBondContact OG-O 3.41Å |
| 563 | T | 54.6 | Low | 52.1 | Low | 157 Ų | 157 | 160.2 Ų | 160.2 | 96% | 0.963 | 77% | 0.769 | S | S | * | * | | | trans | -110.1 | 1.4 | 171.8 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 564 | R | 57.3 | Low | 53.3 | Low | 217 Ų | 217 | 154.4 Ų | 154.4 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -83.8 | 120.4 | 157 | -169 | 172.9 | -173.9 | 175 | 1 | 106.4 | S562 K566 | S562-R564 PolarHBondContact OG-N 2.94Å; S562-R564 PolarHBondContact OG-O 3.41Å; R564-K566 PolarHBondContact O-N 2.97Å |
| 565 | A | 51.8 | Low | 54.8 | Low | 94 Ų | 94 | 146.3 Ų | 146.3 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | K567 | A565-K567 PolarHBondContact O-N 3.08Š|
| 566 | K | 62.8 | Low | 56.4 | Low | 190 Ų | 190 | 143.4 Ų | 143.4 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 118.2 | 163.3 | -73.4 | -167 | 168.8 | -161 | 0 | 106.1 | R564 T568 | R564-K566 PolarHBondContact O-N 2.97Å; K566-T568 PolarHBondContact O-N 3.25Å |
| 567 | K | 68.4 | Low | 57.9 | Low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.8 | 154.7 | -71 | -173.7 | 177.3 | -175.3 | 0 | 105.8 | A565 I569 | A565-K567 PolarHBondContact O-N 3.08Å; K567-I569 VanDerWaalsContact C-N 3.3Å; K567-I569 HydrophobicContact CB-CG1 4.32Å; K567-I569 PolarHBondContact O-N 3.33Å |
| 568 | T | 55.3 | Low | 59.8 | Low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 67% | 0.667 | S | S | * | * | | | trans | -81.2 | 88.3 | 164.5 | 44.6 | 0 | 0 | 0 | 0 | 106.1 | K566 S570 | K566-T568 PolarHBondContact O-N 3.25Å; T568-S570 PolarHBondContact O-N 3.36Å |
| 569 | I | 55.1 | Low | 62.1 | Low | 91 Ų | 91 | 129.2 Ų | 129.2 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | | | trans | -64.9 | 128.1 | 173.9 | -48.3 | 173.3 | 0 | 0 | 0 | 106.6 | K567 F576 | K567-I569 VanDerWaalsContact C-N 3.3Å; K567-I569 HydrophobicContact CB-CG1 4.32Å; K567-I569 PolarHBondContact O-N 3.33Å; I569-F576 HydrophobicContact CB-CE2 4.44Å; I569-F576 HydrophobicContact CB-CZ 4.12Å; I569-F576 HydrophobicContact CD1-CE1 4.31Å; I569-F576 HydrophobicContact CD1-CZ 4.3Å; I569-F576 HydrophobicContact CG2-CD2 4.2Å; I569-F576 HydrophobicContact CG2-CE1 4.17Å; I569-F576 HydrophobicContact CG2-CE2 3.53Å; I569-F576 HydrophobicContact CG2-CZ 3.52Å |
| 570 | S | 61.4 | Low | 63.8 | Low | 63 Ų | 63 | 130.4 Ų | 130.4 | 44% | 0.441 | 63% | 0.629 | S | S | . | * | | | trans | -74.9 | 135.2 | 173.3 | -28.2 | 0 | 0 | 0 | 0 | 107.4 | T568 R572 E575 | T568-S570 PolarHBondContact O-N 3.36Å; S570-R572 PolarHBondContact O-N 2.82Å; S570-E575 WeakPolarHBondContact CB-OE2 3.38Å; S570-E575 PolarHBondContact N-OE2 3.39Å; S570-E575 VanDerWaalsContact N-OE2 3.13Å; S570-E575 PolarHBondContact OG-OE2 2.91Å |
| 571 | Y | 58.4 | Low | 65.9 | Low | 173 Ų | 173 | 125.4 Ų | 125.4 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | | | trans | -83.4 | 73.4 | 171.2 | -141.9 | -76.1 | 0 | 0 | 0 | 109.9 | F573 F576 | Y571-F573 HydrophobicContact CD1-CE2 4.45Å; Y571-F573 HydrophobicContact CE1-CD2 4.18Å; Y571-F573 AromaticContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CZ 4.09Å; Y571-F576 HydrophobicContact CD2-CD2 4.33Å; Y571-F576 AromaticContact CD2-CE2 3.5Å; Y571-F576 HydrophobicContact CD2-CE2 3.5Å; Y571-F576 AromaticContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CE2-CD2 4.3Å; Y571-F576 AromaticContact CE2-CE2 3.71Å; Y571-F576 HydrophobicContact CE2-CE2 3.71Å; Y571-F576 AromaticContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CG-CE2 4.06Å |
| 572 | R | 71.6 | Confident | 67.9 | Low | 169 Ų | 169 | 121.6 Ų | 121.6 | 64% | 0.638 | 61% | 0.608 | S | S | * | * | | | trans | -103.3 | 142.1 | 146.6 | -75.3 | -162.6 | 166.9 | 91.8 | 0.6 | 106.8 | S570 D574 E575 | S570-R572 PolarHBondContact O-N 2.82Å; R572-D574 VanDerWaalsContact C-N 3.27Å; R572-D574 WeakPolarHBondContact CB-OD2 3.45Å; R572-D574 WeakPolarHBondContact CD-OD2 3.26Å; R572-D574 PolarHBondContact O-N 2.92Å; R572-E575 PolarHBondContact O-N 3.43Å |
| 573 | F | 56.2 | Low | 69.7 | Low | 131 Ų | 131 | 120 Ų | 120 | 58% | 0.575 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -43.7 | -179.8 | -88.3 | -97.8 | 0 | 0 | 0 | 110.2 | Y571 E575 F576 D577 | Y571-F573 HydrophobicContact CD1-CE2 4.45Å; Y571-F573 HydrophobicContact CE1-CD2 4.18Å; Y571-F573 AromaticContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CZ 4.09Å; F573-E575 VanDerWaalsContact C-N 3.31Å; F573-E575 PolarHBondContact O-N 3.42Å; F573-E575 VanDerWaalsContact O-N 3.11Å; F573-F576 CarbonylContact O-C 3.58Å; F573-F576 WeakPolarHBondContact O-CA 3.47Å; F573-F576 WeakPolarHBondContact O-CB 3.28Å; F573-F576 PolarHBondContact O-N 2.82Å; F573-D577 VanDerWaalsContact O-CG 3.3Å; F573-D577 PolarHBondContact O-N 2.87Å; F573-D577 VanDerWaalsContact O-OD2 3.06Å |
| 574 | D | 72.2 | Confident | 71.2 | Confident | 94 Ų | 94 | 117 Ų | 117 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -46.1 | -40.2 | 172.1 | 18.1 | -53.2 | 0 | 0 | 0 | 114.9 | R572 F576 E578 | R572-D574 VanDerWaalsContact C-N 3.27Å; R572-D574 WeakPolarHBondContact CB-OD2 3.45Å; R572-D574 WeakPolarHBondContact CD-OD2 3.26Å; R572-D574 PolarHBondContact O-N 2.92Å; D574-F576 VanDerWaalsContact C-N 3.31Å; D574-F576 PolarHBondContact O-N 3.3Å; D574-E578 VanDerWaalsContact O-CB 3.31Å; D574-E578 WeakPolarHBondContact O-CB 3.26Å; D574-E578 VanDerWaalsContact O-CG 3.25Å; D574-E578 WeakPolarHBondContact O-CG 3.19Å; D574-E578 PolarHBondContact O-N 2.89Å |
| 575 | E | 76.8 | Confident | 72.5 | Confident | 81 Ų | 81 | 112.5 Ų | 112.5 | 38% | 0.379 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -78.4 | -11 | 177 | -157.9 | -169.6 | 154.5 | 0 | 0 | 113.4 | S570 R572 F573 A579 | S570-E575 WeakPolarHBondContact CB-OE2 3.38Å; S570-E575 PolarHBondContact N-OE2 3.39Å; S570-E575 VanDerWaalsContact N-OE2 3.13Å; S570-E575 PolarHBondContact OG-OE2 2.91Å; R572-E575 PolarHBondContact O-N 3.43Å; F573-E575 VanDerWaalsContact C-N 3.31Å; F573-E575 PolarHBondContact O-N 3.42Å; F573-E575 VanDerWaalsContact O-N 3.11Å; E575-A579 WeakPolarHBondContact O-CB 3.31Å |
| 576 | F | 71.4 | Confident | 73.8 | Confident | 61 Ų | 61 | 115.1 Ų | 115.1 | 27% | 0.268 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -95.6 | -41.2 | 172.3 | -81.8 | -88.2 | 0 | 0 | 0 | 111.9 | I569 Y571 F573 D574 A579 I580 | I569-F576 HydrophobicContact CB-CE2 4.44Å; I569-F576 HydrophobicContact CB-CZ 4.12Å; I569-F576 HydrophobicContact CD1-CE1 4.31Å; I569-F576 HydrophobicContact CD1-CZ 4.3Å; I569-F576 HydrophobicContact CG2-CD2 4.2Å; I569-F576 HydrophobicContact CG2-CE1 4.17Å; I569-F576 HydrophobicContact CG2-CE2 3.53Å; I569-F576 HydrophobicContact CG2-CZ 3.52Å; Y571-F576 HydrophobicContact CD2-CD2 4.33Å; Y571-F576 AromaticContact CD2-CE2 3.5Å; Y571-F576 HydrophobicContact CD2-CE2 3.5Å; Y571-F576 AromaticContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CE2-CD2 4.3Å; Y571-F576 AromaticContact CE2-CE2 3.71Å; Y571-F576 HydrophobicContact CE2-CE2 3.71Å; Y571-F576 AromaticContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CG-CE2 4.06Å; F573-F576 CarbonylContact O-C 3.58Å; F573-F576 WeakPolarHBondContact O-CA 3.47Å; F573-F576 WeakPolarHBondContact O-CB 3.28Å; F573-F576 PolarHBondContact O-N 2.82Å; D574-F576 VanDerWaalsContact C-N 3.31Å; D574-F576 PolarHBondContact O-N 3.3Å; F576-A579 CarbonylContact O-C 3.44Å; F576-A579 WeakPolarHBondContact O-CA 3.24Å; F576-A579 WeakPolarHBondContact O-CB 3.29Å; F576-A579 PolarHBondContact O-N 3.22Å; F576-A579 VanDerWaalsContact O-N 3.12Å; F576-I580 VanDerWaalsContact O-CG1 3.31Å; F576-I580 WeakPolarHBondContact O-CG1 3.49Å; F576-I580 PolarHBondContact O-N 3.47Å |
| 577 | D | 84.1 | Confident | 74.6 | Confident | 67 Ų | 67 | 111.9 Ų | 111.9 | 36% | 0.358 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.6 | -44.5 | -175.2 | -54.1 | -35.5 | 0 | 0 | 0 | 109.9 | F573 A579 I580 E581 | F573-D577 VanDerWaalsContact O-CG 3.3Å; F573-D577 PolarHBondContact O-N 2.87Å; F573-D577 VanDerWaalsContact O-OD2 3.06Å; D577-A579 PolarHBondContact O-N 3.23Å; D577-A579 VanDerWaalsContact O-N 3.11Å; D577-I580 PolarHBondContact O-N 3.24Å; D577-E581 WeakPolarHBondContact O-CG 3.37Å; D577-E581 PolarHBondContact O-N 2.82Å |
| 578 | E | 81.6 | Confident | 75.1 | Confident | 135 Ų | 135 | 107.9 Ų | 107.9 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -52.9 | -34.2 | 166.4 | -74.4 | 179.3 | -174.8 | 0 | 0 | 112.5 | D574 E582 | D574-E578 VanDerWaalsContact O-CB 3.31Å; D574-E578 WeakPolarHBondContact O-CB 3.26Å; D574-E578 VanDerWaalsContact O-CG 3.25Å; D574-E578 WeakPolarHBondContact O-CG 3.19Å; D574-E578 PolarHBondContact O-N 2.89Å; E578-E582 WeakPolarHBondContact O-CB 3.45Å; E578-E582 PolarHBondContact O-N 3.35Å |
| 579 | A | 85.6 | Confident | 75.9 | Confident | 50 Ų | 50 | 107.4 Ų | 107.4 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -87 | -13.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | E575 F576 D577 A583 | E575-A579 WeakPolarHBondContact O-CB 3.31Å; F576-A579 CarbonylContact O-C 3.44Å; F576-A579 WeakPolarHBondContact O-CA 3.24Å; F576-A579 WeakPolarHBondContact O-CB 3.29Å; F576-A579 PolarHBondContact O-N 3.22Å; F576-A579 VanDerWaalsContact O-N 3.12Å; D577-A579 PolarHBondContact O-N 3.23Å; D577-A579 VanDerWaalsContact O-N 3.11Å; A579-A583 WeakPolarHBondContact O-CB 3.39Å |
| 580 | I | 81.5 | Confident | 76.4 | Confident | 92 Ų | 92 | 110.5 Ų | 110.5 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -83.7 | -45.1 | 168.3 | -72.7 | 162 | 0 | 0 | 0 | 108.3 | F576 D577 A583 I584 | F576-I580 VanDerWaalsContact O-CG1 3.31Å; F576-I580 WeakPolarHBondContact O-CG1 3.49Å; F576-I580 PolarHBondContact O-N 3.47Å; D577-I580 PolarHBondContact O-N 3.24Å; I580-A583 PolarHBondContact O-N 2.79Å; I580-I584 HydrophobicContact CG2-CD1 3.7Å; I580-I584 HydrophobicContact CG2-CG1 4.48Å; I580-I584 WeakPolarHBondContact O-CG1 3.35Å; I580-I584 PolarHBondContact O-N 3.49Å |
| 581 | E | 86.4 | Confident | 76.5 | Confident | 128 Ų | 128 | 111.3 Ų | 111.3 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.4 | -50.7 | 172.7 | -70 | 172.5 | -161.7 | 0 | 0 | 112 | D577 A583 I584 E585 | D577-E581 WeakPolarHBondContact O-CG 3.37Å; D577-E581 PolarHBondContact O-N 2.82Å; E581-A583 PolarHBondContact O-N 3.46Å; E581-I584 PolarHBondContact O-N 2.88Å; E581-E585 WeakPolarHBondContact O-CB 3.22Å; E581-E585 PolarHBondContact O-N 3.21Å |
| 582 | E | 84.7 | Confident | 76.4 | Confident | 148 Ų | 148 | 111.1 Ų | 111.1 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.1 | -36.3 | 176.3 | -174.7 | -178.5 | -142.2 | 0 | 0 | 111.7 | E578 E586 | E578-E582 WeakPolarHBondContact O-CB 3.45Å; E578-E582 PolarHBondContact O-N 3.35Å; E582-E586 PolarHBondContact O-N 3.48Å |
| 583 | A | 85.8 | Confident | 75.4 | Confident | 53 Ų | 53 | 106 Ų | 106 | 44% | 0.438 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.4 | -39.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A579 I580 E581 E586 D587 | A579-A583 WeakPolarHBondContact O-CB 3.39Å; I580-A583 PolarHBondContact O-N 2.79Å; E581-A583 PolarHBondContact O-N 3.46Å; A583-E586 PolarHBondContact O-N 3.46Å; A583-D587 PolarHBondContact O-N 2.79Å |
| 584 | I | 86.9 | Confident | 75.5 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.6 | -41.1 | 174.5 | -69.2 | 167.5 | 0 | 0 | 0 | 109.8 | I580 E581 E586 D587 I588 | I580-I584 HydrophobicContact CG2-CD1 3.7Å; I580-I584 HydrophobicContact CG2-CG1 4.48Å; I580-I584 WeakPolarHBondContact O-CG1 3.35Å; I580-I584 PolarHBondContact O-N 3.49Å; E581-I584 PolarHBondContact O-N 2.88Å; I584-E586 PolarHBondContact O-N 3.47Å; I584-D587 PolarHBondContact O-N 2.98Å; I584-I588 HydrophobicContact CG2-CD1 3.71Å; I584-I588 HydrophobicContact CG2-CG1 4.4Å; I584-I588 WeakPolarHBondContact O-CB 3.35Å; I584-I588 VanDerWaalsContact O-CG1 3.27Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 2.92Å |
| 585 | E | 84 | Confident | 74.1 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.1 | -40.1 | 171.2 | -92.4 | -141.4 | -166.8 | 0 | 0 | 113 | E581 K589 | E581-E585 WeakPolarHBondContact O-CB 3.22Å; E581-E585 PolarHBondContact O-N 3.21Å; E585-K589 WeakPolarHBondContact O-CB 3.33Å; E585-K589 PolarHBondContact O-N 3.15Å; E585-K589 IonicContact OE2-NZ 3.64Å; E585-K589 PolarHBondContact OE2-NZ 2.9Å |
| 586 | E | 78.6 | Confident | 73.1 | Confident | 149 Ų | 149 | 102.9 Ų | 102.9 | 70% | 0.696 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.9 | -42.2 | 178.3 | -166.8 | 168.4 | -132.3 | 0 | 0 | 111.5 | E582 A583 I584 K589 E590 | E582-E586 PolarHBondContact O-N 3.48Å; A583-E586 PolarHBondContact O-N 3.46Å; I584-E586 PolarHBondContact O-N 3.47Å; E586-K589 PolarHBondContact O-N 3.19Å; E586-E590 PolarHBondContact O-N 2.97Å |
| 587 | D | 81.1 | Confident | 72.3 | Confident | 122 Ų | 122 | 102.6 Ų | 102.6 | 65% | 0.652 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.8 | -42.3 | 176.2 | -109.4 | 23.4 | 0 | 0 | 0 | 112 | A583 I584 E590 A591 | A583-D587 PolarHBondContact O-N 2.79Å; I584-D587 PolarHBondContact O-N 2.98Å; D587-E590 PolarHBondContact O-N 3.28Å; D587-A591 WeakPolarHBondContact O-CB 3.12Å; D587-A591 PolarHBondContact O-N 3.18Å |
| 588 | I | 78.7 | Confident | 71.1 | Confident | 106 Ų | 106 | 110.6 Ų | 110.6 | 54% | 0.544 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.5 | -41.2 | 174.6 | -69.6 | 171.1 | 0 | 0 | 0 | 110.5 | I584 A591 E592 | I584-I588 HydrophobicContact CG2-CD1 3.71Å; I584-I588 HydrophobicContact CG2-CG1 4.4Å; I584-I588 WeakPolarHBondContact O-CB 3.35Å; I584-I588 VanDerWaalsContact O-CG1 3.27Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 2.92Å; I588-A591 PolarHBondContact O-N 2.93Å; I588-E592 WeakPolarHBondContact O-CB 3.36Å; I588-E592 PolarHBondContact O-N 3.13Å |
| 589 | K | 72.1 | Confident | 69.8 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 54% | 0.543 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.6 | -30.9 | 179.5 | -170.6 | 175.7 | -76.9 | 103.7 | 0 | 112.4 | E585 E586 G593 | E585-K589 WeakPolarHBondContact O-CB 3.33Å; E585-K589 PolarHBondContact O-N 3.15Å; E585-K589 IonicContact OE2-NZ 3.64Å; E585-K589 PolarHBondContact OE2-NZ 2.9Å; E586-K589 PolarHBondContact O-N 3.19Å; K589-G593 PolarHBondContact O-N 3.48Å |
| 590 | E | 65.9 | Low | 68.3 | Low | 157 Ų | 157 | 114.3 Ų | 114.3 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.7 | -33.5 | 168.1 | -172.3 | 166.4 | -140.1 | 0 | 0 | 112 | E586 D587 G593 | E586-E590 PolarHBondContact O-N 2.97Å; D587-E590 PolarHBondContact O-N 3.28Å; E590-G593 WeakPolarHBondContact O-CA 3.5Å; E590-G593 PolarHBondContact O-N 3.42Å |
| 591 | A | 62.6 | Low | 67.2 | Low | 79 Ų | 79 | 116 Ų | 116 | 65% | 0.653 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.2 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D587 I588 G593 | D587-A591 WeakPolarHBondContact O-CB 3.12Å; D587-A591 PolarHBondContact O-N 3.18Å; I588-A591 PolarHBondContact O-N 2.93Å; A591-G593 PolarHBondContact O-N 2.84Å |
| 592 | E | 55.8 | Low | 65.5 | Low | 170 Ų | 170 | 116.1 Ų | 116.1 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.5 | -24.7 | 170.5 | -168.3 | 174.9 | -149.6 | 0 | 0 | 111.5 | I588 G594 | I588-E592 WeakPolarHBondContact O-CB 3.36Å; I588-E592 PolarHBondContact O-N 3.13Å; E592-G594 PolarHBondContact O-N 2.84Å |
| 593 | G | 52 | Low | 64.2 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 62% | 0.619 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 24.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | K589 E590 A591 | K589-G593 PolarHBondContact O-N 3.48Å; E590-G593 WeakPolarHBondContact O-CA 3.5Å; E590-G593 PolarHBondContact O-N 3.42Å; A591-G593 PolarHBondContact O-N 2.84Å |
| 594 | G | 57.1 | Low | 62.7 | Low | 56 Ų | 56 | 117.8 Ų | 117.8 | 58% | 0.577 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.4 | 51.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E592 A596 | E592-G594 PolarHBondContact O-N 2.84Å; G594-A596 VanDerWaalsContact C-N 3.29Å; G594-A596 PolarHBondContact O-N 2.85Å |
| 595 | G | 44.1 | Very low | 61.1 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 76% | 0.763 | 70% | 0.701 | S | S | * | * | | | trans | -58.4 | 73.3 | -180 | 0 | 0 | 0 | 0 | 0 | 116 | G597 | G595-G597 PolarHBondContact O-N 2.86Š|
| 596 | A | 54.9 | Low | 59.7 | Low | 112 Ų | 112 | 120 Ų | 120 | 93% | 0.926 | 71% | 0.71 | S | S | * | * | | | trans | -72 | 54.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G594 | G594-A596 VanDerWaalsContact C-N 3.29Å; G594-A596 PolarHBondContact O-N 2.85Å |
| 597 | G | 55.2 | Low | 58.3 | Low | 55 Ų | 55 | 115.6 Ų | 115.6 | 57% | 0.567 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -125.1 | -11.7 | -150.4 | 0 | 0 | 0 | 0 | 0 | 119 | G595 | G595-G597 PolarHBondContact O-N 2.86Š|
| 598 | R | 58 | Low | 56.7 | Low | 235 Ų | 235 | 118.5 Ų | 118.5 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -164.9 | -0.7 | 176.6 | -114.1 | 156.1 | -132.2 | -174 | 5 | 120.2 | K600 | R598-K600 PolarHBondContact O-N 2.74Š|
| 599 | G | 54.4 | Low | 55.3 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 88% | 0.876 | 73% | 0.734 | S | S | * | * | | | trans | -69.8 | 50.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 600 | K | 54.8 | Low | 54.3 | Low | 178 Ų | 178 | 122.9 Ų | 122.9 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -89.5 | -21.4 | -174.9 | -161.7 | 59.4 | 172.5 | 179.8 | 0 | 114.6 | R598 | R598-K600 PolarHBondContact O-N 2.74Š|
| 601 | D | 57.4 | Low | 53.4 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -110.1 | -18.9 | -159.8 | -64.3 | -6.1 | 0 | 0 | 0 | 114.4 | A603 | D601-A603 PolarHBondContact O-N 2.97Š|
| 602 | M | 50.6 | Low | 52.4 | Low | 130 Ų | 130 | 126.4 Ų | 126.4 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -72.9 | -25.1 | -174.1 | -69.3 | -53.4 | -60.9 | 0 | 0 | 114.9 | N604 I605 | M602-N604 PolarHBondContact O-N 2.76Å; M602-I605 PolarHBondContact O-N 3.39Å |
| 603 | A | 58.3 | Low | 52.1 | Low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -64.4 | -12.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D601 | D601-A603 PolarHBondContact O-N 2.97Š|
| 604 | N | 53.5 | Low | 51.9 | Low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -97.2 | -3.2 | -176.9 | -74.5 | -26 | 0 | 0 | 0 | 114.8 | M602 | M602-N604 PolarHBondContact O-N 2.76Š|
| 605 | I | 54.6 | Low | 51.3 | Low | 138 Ų | 138 | 131.2 Ų | 131.2 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -36 | -177.1 | -62.9 | 179.9 | 0 | 0 | 0 | 111.7 | M602 | M602-I605 PolarHBondContact O-N 3.39Š|
| 606 | T | 53.8 | Low | 51.5 | Low | 124 Ų | 124 | 134.8 Ų | 134.8 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -87.9 | -1.5 | -177.3 | -16.2 | 0 | 0 | 0 | 0 | 114.4 | H608 | T606-H608 PolarHBondContact O-N 2.96Š|
| 607 | G | 49.2 | Very low | 50.8 | Low | 57 Ų | 57 | 137.3 Ų | 137.3 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | -85.8 | 16.2 | -167 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 608 | H | 47 | Very low | 50.3 | Low | 184 Ų | 184 | 143.1 Ų | 143.1 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -135.3 | 30.5 | -167.1 | -101 | 18.3 | 0 | 0 | 0 | 116.7 | T606 | T606-H608 PolarHBondContact O-N 2.96Š|
| 609 | R | 50.1 | Low | 49.6 | Very low | 253 Ų | 253 | 136.3 Ų | 136.3 | 96% | 0.955 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -135.5 | 46.8 | 167.4 | -78.9 | -168 | 171 | -176.7 | -1.3 | 113.7 | | |
| 610 | G | 50.9 | Low | 48.9 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -168.1 | 54.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 611 | K | 47.5 | Very low | 48.3 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | | | trans | -141 | 29.4 | -174.2 | -143.2 | 70.9 | -172.2 | 170.3 | 0 | 115.8 | | |
| 612 | D | 41.5 | Very low | 47.2 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | -108.1 | 143.3 | 171.2 | -69.2 | -60.7 | 0 | 0 | 0 | 111.1 | | |
| 613 | I | 49.8 | Very low | 46.6 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 58.8 | 73.7 | 163.4 | -43.3 | 138.4 | 0 | 0 | 0 | 115.9 | | |
| 614 | S | 46.2 | Very low | 45.4 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | S | Bend | | -176.7 | -37.7 | 127.2 | -82 | 0 | 0 | 0 | 0 | 112.8 | I616 | S614-I616 PolarHBondContact O-N 3.42Š|
| 615 | T | 45.4 | Very low | 44.5 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 27.5 | -170.7 | -23.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 616 | I | 48 | Very low | 43.6 | Very low | 148 Ų | 148 | 142 Ų | 142 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 2.1 | -176.7 | -71.8 | 177.5 | 0 | 0 | 0 | 112.3 | S614 | S614-I616 PolarHBondContact O-N 3.42Š|
| 617 | L | 40.7 | Very low | 42.5 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -128 | 8.6 | -178.2 | -74 | 175.7 | 0 | 0 | 0 | 115.9 | | |
| 618 | Q | 44.7 | Very low | 42.5 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -138.1 | 125.3 | 175.4 | -72.5 | -177.5 | -22.6 | 0 | 0 | 111.6 | | |
| 619 | A | 43.7 | Very low | 42.7 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 56.8 | 116.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 620 | E | 38.9 | Very low | 42 | Very low | 199 Ų | 199 | 144.1 Ų | 144.1 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | cis | 53.6 | 51 | 5 | -68.9 | -137.1 | 124.2 | 0 | 0 | 116.5 | | |
| 621 | E | 41.9 | Very low | 41 | Very low | 188 Ų | 188 | 148.2 Ų | 148.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | 178.4 | 150.8 | 139.8 | -100.4 | 179.4 | 156.3 | 0 | 0 | 109.5 | | |
| 622 | G | 34.9 | Very low | 40.3 | Very low | 52 Ų | 52 | 145.8 Ų | 145.8 | 54% | 0.536 | 77% | 0.769 | S | S | . | * | | | cis | 171.9 | 82.6 | -7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 623 | K | 37.7 | Very low | 40.1 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | 67.7 | 176.1 | 179 | -45.1 | 87 | 164.5 | 178.9 | 0 | 112 | | |
| 624 | E | 33.8 | Very low | 39.4 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | cis | -154.1 | 160.2 | 10.2 | 61.2 | 178.8 | 152.2 | 0 | 0 | 114.2 | | |
| 625 | N | 33.9 | Very low | 39.3 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | trans | 60.5 | 162.3 | 159.1 | -48.9 | -33.5 | 0 | 0 | 0 | 118.4 | | |
| 626 | G | 35.1 | Very low | 39 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | cis | -172.5 | 140.4 | -10.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 627 | R | 31.6 | Very low | 39 | Very low | 225 Ų | 225 | 154.1 Ų | 154.1 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | | | trans | -78.8 | 166 | -179.1 | -113.6 | 176.3 | 175.5 | -113.9 | 0.2 | 112.3 | | |
| 628 | P | 48.6 | Very low | 39.1 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | | -152 | -143.9 | 57.7 | 43.4 | -17 | 0 | 0 | 0 | 116.1 | | |
| 629 | P | 51.6 | Low | 38.9 | Very low | 88 Ų | 88 | 158 Ų | 158 | 57% | 0.571 | 80% | 0.798 | S | S | * | * | | | | -149.5 | 178.1 | -106.2 | 49.5 | -28.9 | 0 | 0 | 0 | 121.9 | | |
| 630 | R | 35.7 | Very low | 38.9 | Very low | 231 Ų | 231 | 165.6 Ų | 165.6 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | 76.6 | 162 | 157.6 | -64 | -158.1 | 166.9 | 142.7 | 1.5 | 117.8 | | |
| 631 | H | 30.6 | Very low | 38.9 | Very low | 157 Ų | 157 | 166.2 Ų | 166.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | cis | -132 | -176 | 19.4 | 178.6 | -97.4 | 0 | 0 | 0 | 114.8 | | |
| 632 | N | 31.8 | Very low | 39.2 | Very low | 111 Ų | 111 | 168.7 Ų | 168.7 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | | | trans | -108.8 | 174.9 | -161.3 | -36.6 | -83.6 | 0 | 0 | 0 | 116.9 | | |
| 633 | A | 36.6 | Very low | 39.5 | Very low | 99 Ų | 99 | 172.8 Ų | 172.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | 84.7 | 153 | 149 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 634 | A | 35.9 | Very low | 39.5 | Very low | 102 Ų | 102 | 168.9 Ų | 168.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | cis | -145.7 | -177.9 | 5.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 635 | Q | 44.4 | Very low | 39.9 | Very low | 178 Ų | 178 | 167.3 Ų | 167.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -101.6 | 155.2 | -174.5 | -59.3 | 172.5 | -11.8 | 0 | 0 | 114.4 | | |
| 636 | R | 39 | Very low | 40.3 | Very low | 235 Ų | 235 | 167.2 Ų | 167.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | | 159.7 | 156.1 | 111.8 | -83.8 | 172.9 | 86.5 | -167.7 | 6.2 | 114.6 | | |
| 637 | R | 47 | Very low | 40.2 | Very low | 244 Ų | 244 | 171.3 Ų | 171.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -101.7 | 162.5 | -179.2 | -61.3 | 176.5 | 174 | -179.5 | -4.6 | 113.4 | | |
| 638 | K | 43.8 | Very low | 40.4 | Very low | 216 Ų | 216 | 166 Ų | 166 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | -132.7 | 167.4 | 158.4 | -92 | -177.8 | 177.7 | 174.8 | 0 | 111.1 | | |
| 639 | K | 39.9 | Very low | 39.5 | Very low | 209 Ų | 209 | 167.7 Ų | 167.7 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -137.1 | 144.7 | -168 | -162.9 | 174 | -175.6 | 179.3 | 0 | 110.5 | | |
| 640 | R | 43.8 | Very low | 38.6 | Very low | 250 Ų | 250 | 168 Ų | 168 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | | | trans | -79.5 | 165.5 | -177.8 | -69.9 | 176.1 | 73.9 | -175.5 | 2.2 | 113 | | |
| 641 | R | 40.3 | Very low | 38.3 | Very low | 211 Ų | 211 | 163.1 Ų | 163.1 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -119.1 | 146.1 | -172.5 | -176.6 | 175.9 | 81.7 | 127.7 | -1.6 | 110.8 | | |
| 642 | R | 46.9 | Very low | 38.8 | Very low | 241 Ų | 241 | 160.7 Ų | 160.7 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -97.9 | 155.5 | 167 | -75.2 | -178.8 | 170.6 | 166.2 | -5.3 | 110.9 | | |
| 643 | L | 41.7 | Very low | 38.9 | Very low | 137 Ų | 137 | 161.6 Ų | 161.6 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | | | trans | -145 | 176 | 160.4 | -103.9 | 176.7 | 0 | 0 | 0 | 109.6 | | |
| 644 | N | 38.3 | Very low | 39.1 | Very low | 122 Ų | 122 | 164.9 Ų | 164.9 | 65% | 0.652 | 80% | 0.799 | S | S | * | * | | | trans | -143 | -170.1 | -160.2 | -157.7 | 80.6 | 0 | 0 | 0 | 110.1 | | |
| 645 | D | 40.6 | Very low | 39.1 | Very low | 123 Ų | 123 | 168.9 Ų | 168.9 | 66% | 0.658 | 80% | 0.801 | S | S | * | * | | | trans | 81.9 | 120.6 | 165.9 | -40.1 | -37.8 | 0 | 0 | 0 | 113.4 | | |
| 646 | L | 43.1 | Very low | 38.5 | Very low | 141 Ų | 141 | 169.6 Ų | 169.6 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | cis | 92.3 | 118.8 | 42.3 | -77.1 | 167.9 | 0 | 0 | 0 | 113.5 | | |
| 647 | D | 32.2 | Very low | 38.4 | Very low | 160 Ų | 160 | 162.7 Ų | 162.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | | 178.1 | 172.6 | 115 | -86.8 | -19.6 | 0 | 0 | 0 | 111.3 | | |
| 648 | S | 35.8 | Very low | 37.6 | Very low | 115 Ų | 115 | 159.4 Ų | 159.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -119.4 | 173.1 | -162.4 | -50.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 649 | D | 30.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 158.3 Ų | 158.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | | 146.4 | 153 | 105.4 | -160.4 | 27.9 | 0 | 0 | 0 | 117.2 | | |
| 650 | S | 32.5 | Very low | 36.9 | Very low | 94 Ų | 94 | 156.6 Ų | 156.6 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | trans | 85.2 | 145.4 | 144 | -135.4 | 0 | 0 | 0 | 0 | 124.9 | | |
| 651 | T | 30.7 | Very low | 36.2 | Very low | 129 Ų | 129 | 153 Ų | 153 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | 79.8 | 137.7 | 156.6 | -122 | 0 | 0 | 0 | 0 | 117.4 | | |
| 652 | V | 40.9 | Very low | 35.8 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | | | cis | -159.3 | 156 | 7.1 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 653 | D | 34.1 | Very low | 34.9 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | 17.8 | 156.3 | 147.8 | -52 | 167 | 0 | 0 | 0 | 121.1 | | |
| 654 | E | 39 | Very low | 34.5 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | cis | -159.5 | 137.3 | -1.6 | -105.9 | 155.4 | 160.7 | 0 | 0 | 104.4 | | |
| 655 | E | 36.9 | Very low | 33.8 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | | 68.1 | 157.8 | 76.8 | -64 | -154.9 | 173.3 | 0 | 0 | 117.2 | | |
| 656 | E | 30.7 | Very low | 33.1 | Very low | 193 Ų | 193 | 150 Ų | 150 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | 71.9 | 136.5 | -170.3 | -58.7 | -171.5 | 144.3 | 0 | 0 | 116.5 | | |
| 657 | S | 37.4 | Very low | 32.7 | Very low | 90 Ų | 90 | 147.7 Ų | 147.7 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | cis | -161.8 | 151.8 | -3.5 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 658 | E | 31.1 | Very low | 32.7 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | 46.4 | 131.9 | 149.2 | -66.1 | 135 | -123.8 | 0 | 0 | 121.6 | | |
| 659 | E | 32.9 | Very low | 32.5 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | cis | 85.4 | 50.9 | 30.6 | -60.7 | -158.1 | -124.6 | 0 | 0 | 118.5 | | |
| 660 | E | 34.8 | Very low | 32.5 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -152.5 | 155 | 149.6 | -110.8 | -176.1 | 172.7 | 0 | 0 | 109.1 | | |
| 661 | F | 29 | Very low | 32.1 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | cis | -136.2 | 168.4 | 19.1 | -146.7 | -96.9 | 0 | 0 | 0 | 111.9 | | |
| 662 | R | 31.8 | Very low | 32.3 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -119.1 | 165.8 | -179.5 | -71.5 | 176.7 | 59.2 | 106.8 | 1.4 | 113.2 | | |
| 663 | L | 28.6 | Very low | 31.7 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | 93.7 | 156.6 | 159.5 | -53 | -176.6 | 0 | 0 | 0 | 117.3 | | |
| 664 | S | 33.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -118.8 | -159.7 | -165.8 | -49 | 0 | 0 | 0 | 0 | 110 | | |
| 665 | E | 24.6 | Very low | 31 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | 86.5 | 110.5 | 162.8 | -65.9 | 177 | 84.9 | 0 | 0 | 117.6 | | |
| 666 | T | 25.8 | Very low | 30.6 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 75.7 | 158.2 | 136.5 | 62.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 667 | S | 34.3 | Very low | 30.6 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | cis | -149.7 | 147.7 | 22.4 | 70.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 668 | E | 31.4 | Very low | 30.4 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | | 105.7 | 161.8 | 84.3 | -173.5 | 171.4 | 120.1 | 0 | 0 | 113.2 | | |
| 669 | E | 31.6 | Very low | 30.5 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -77.1 | -173.3 | -163.8 | 57.5 | -114.1 | 153.4 | 0 | 0 | 115.5 | | |
| 670 | E | 31.8 | Very low | 30.8 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | cis | -164.6 | 153 | 17.1 | -166.1 | -174.3 | -164.7 | 0 | 0 | 111.4 | V672 | E670-V672 HydrophobicContact CG-CG2 4.36Š|
| 671 | F | 23.8 | Very low | 30.5 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | | | trans | 154.5 | 127.9 | 141.8 | -105.1 | -114.8 | 0 | 0 | 0 | 110.4 | | |
| 672 | V | 33.7 | Very low | 30.6 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | | | cis | 93.7 | 97 | 29.2 | -179.7 | 0 | 0 | 0 | 0 | 115 | E670 | E670-V672 HydrophobicContact CG-CG2 4.36Š|
| 673 | V | 28.5 | Very low | 30.5 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | | | trans | -166.1 | 116.7 | 139.1 | 169.1 | 0 | 0 | 0 | 0 | 104.1 | | |
| 674 | S | 29.4 | Very low | 30.7 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | cis | 82 | 93 | 44.4 | -56.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 675 | D | 29.3 | Very low | 30.6 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | | | | 177.6 | 140 | 106.7 | -96.5 | -98.8 | 0 | 0 | 0 | 108 | | |
| 676 | N | 28.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | | | | 72.5 | 148.2 | 61.3 | -147.7 | 29.9 | 0 | 0 | 0 | 111.8 | | |
| 677 | E | 30.1 | Very low | 30.8 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 77% | 0.771 | 71% | 0.706 | S | S | * | * | | | cis | -156.3 | 153.6 | 6 | -165.3 | 167.4 | -85.8 | 0 | 0 | 108.3 | | |
| 678 | T | 33.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 133 Ų | 133 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | | | cis | -163.3 | 162.2 | -36 | -83.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 679 | E | 32.9 | Very low | 30.6 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | | | trans | -43.4 | 147.2 | 168.7 | -76.2 | -78.3 | 156.9 | 0 | 0 | 114 | | |
| 680 | P | 39.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | | | | -149.2 | 149 | 92.4 | 38.9 | -21.8 | 0 | 0 | 0 | 118 | | |
| 681 | E | 28.5 | Very low | 30.3 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | | | | 9.7 | 151.5 | 116.8 | -52.8 | -165.1 | 165.7 | 0 | 0 | 118 | | |
| 682 | T | 31 | Very low | 30.5 | Very low | 95 Ų | 95 | 126 Ų | 126 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | | | | -159.9 | 160.8 | 56.6 | 54.4 | 0 | 0 | 0 | 0 | 117 | | |
| 683 | E | 30.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 125 Ų | 125 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | | | trans | 47.5 | 154.5 | 135.5 | 81.6 | -151.5 | 134.6 | 0 | 0 | 124 | | |
| 684 | A | 33.2 | Very low | 30.4 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | | | cis | -173 | 168.8 | -30.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 685 | E | 29.9 | Very low | 30.4 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | | | trans | 63.6 | 150.8 | 155.5 | -73.4 | 175.5 | -165.8 | 0 | 0 | 119.2 | | |
| 686 | S | 27.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | cis | -159.5 | -159.5 | -15.3 | 50 | 0 | 0 | 0 | 0 | 106.9 | | |
| 687 | N | 28.6 | Very low | 30.1 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | | | cis | -165.2 | -172.9 | 13.1 | -148.4 | -70.6 | 0 | 0 | 0 | 109.8 | | |
| 688 | V | 30.4 | Very low | 30 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | | | trans | 60.1 | 151.1 | 166.8 | -53.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 689 | S | 30.8 | Very low | 29.8 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | cis | -170.5 | 140.7 | -29.5 | -92.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 690 | D | 29.1 | Very low | 29.6 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -137.3 | 141 | 145.2 | -175.2 | -86.9 | 0 | 0 | 0 | 109.4 | G692 | D690-G692 PolarHBondContact OD1-N 3.43Å; D690-G692 VanDerWaalsContact OD1-N 3.11Å |
| 691 | H | 27.5 | Very low | 29.1 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | | | trans | -145.9 | 43.9 | -179.9 | -104.1 | 64.2 | 0 | 0 | 0 | 115 | | |
| 692 | G | 29.1 | Very low | 29.2 | Very low | 68 Ų | 68 | 150.3 Ų | 150.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 67.5 | 170.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | D690 | D690-G692 PolarHBondContact OD1-N 3.43Å; D690-G692 VanDerWaalsContact OD1-N 3.11Å |
| 693 | G | 29.4 | Very low | 29.1 | Very low | 69 Ų | 69 | 157 Ų | 157 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | -133 | -27.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 694 | R | 29.7 | Very low | 30 | Very low | 234 Ų | 234 | 154.1 Ų | 154.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | 67.6 | 171.1 | -174.5 | -37.6 | 170.8 | -172.5 | -122.6 | 0.3 | 113.1 | | |
| 695 | R | 29.3 | Very low | 29.9 | Very low | 230 Ų | 230 | 158.7 Ų | 158.7 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | cis | -140.3 | 154.5 | 12.5 | -62 | 177.3 | -179.6 | -117 | -3.1 | 112.5 | | |
| 696 | H | 25.8 | Very low | 29.8 | Very low | 192 Ų | 192 | 158 Ų | 158 | 89% | 0.889 | 80% | 0.798 | S | S | * | * | | | trans | -70.5 | 157.9 | 163.4 | -84.8 | -102.9 | 0 | 0 | 0 | 113 | | |
| 697 | S | 26.8 | Very low | 29.9 | Very low | 122 Ų | 122 | 162.6 Ų | 162.6 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -149.4 | 151.9 | 133.3 | -165.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 698 | S | 27 | Very low | 30 | Very low | 106 Ų | 106 | 166.6 Ų | 166.6 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -118.9 | 151.3 | -179.5 | 60.4 | 0 | 0 | 0 | 0 | 111 | | |
| 699 | S | 30.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 169.7 Ų | 169.7 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -174.2 | 171.8 | 145.5 | 42.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 700 | W | 28 | Very low | 29.8 | Very low | 233 Ų | 233 | 169.8 Ų | 169.8 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | -88.8 | 147.8 | -153.5 | -59.4 | -31.3 | 0 | 0 | 0 | 117.3 | | |
| 701 | R | 28.6 | Very low | 29.8 | Very low | 220 Ų | 220 | 167.8 Ų | 167.8 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | | | trans | 42.8 | 118.2 | 136.5 | -57.4 | 179.9 | -161 | -73.7 | 6.5 | 119.1 | | |
| 702 | R | 31.4 | Very low | 30.1 | Very low | 252 Ų | 252 | 169.3 Ų | 169.3 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | | | | -172.2 | 158.6 | 107.9 | -98.2 | 164.4 | -144.3 | -102.5 | 5.2 | 112.9 | | |
| 703 | R | 28.3 | Very low | 30.3 | Very low | 236 Ų | 236 | 175.5 Ų | 175.5 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | | | trans | -72.2 | 176.9 | 171.1 | -73.8 | 176.5 | 159.9 | -166.1 | -4.9 | 111.5 | | |
| 704 | P | 49.4 | Very low | 30.2 | Very low | 108 Ų | 108 | 182.9 Ų | 182.9 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | cis | -137.7 | -179.5 | -46.5 | 38.5 | -21.9 | 0 | 0 | 0 | 112.7 | | |
| 705 | Q | 31.6 | Very low | 30.1 | Very low | 172 Ų | 172 | 182.6 Ų | 182.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | | 165.3 | 129.1 | 119.8 | -88.3 | -148.1 | -2 | 0 | 0 | 116.8 | | |
| 706 | K | 28.1 | Very low | 30.3 | Very low | 170 Ų | 170 | 183.1 Ų | 183.1 | 74% | 0.739 | 82% | 0.824 | S | S | * | * | | | trans | 30.6 | 117.8 | 133.7 | -70.3 | -171.4 | 174.8 | -175.9 | 0 | 122.7 | | |
| 707 | R | 29.8 | Very low | 31.1 | Very low | 189 Ų | 189 | 179.5 Ų | 179.5 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | | | | 81.1 | 132.4 | 123.2 | -67 | -179.7 | 93 | -147.2 | 14.5 | 121.7 | | |
| 708 | R | 29.4 | Very low | 31.2 | Very low | 212 Ų | 212 | 180.6 Ų | 180.6 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | 65.3 | 111.4 | 141.1 | -77.1 | -171.4 | 165 | -160.2 | -4.3 | 119.1 | | |
| 709 | Q | 28.5 | Very low | 31.3 | Very low | 189 Ų | 189 | 185.7 Ų | 185.7 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -66.5 | 158.3 | 145.1 | -58.6 | -178.4 | 0.2 | 0 | 0 | 111.1 | | |
| 710 | S | 28.4 | Very low | 31.2 | Very low | 109 Ų | 109 | 189.4 Ų | 189.4 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | | -166.5 | 150 | 123.3 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 711 | S | 29.8 | Very low | 31.3 | Very low | 96 Ų | 96 | 182.8 Ų | 182.8 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | trans | 87.6 | 113.1 | 149.1 | 82.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 712 | R | 33.3 | Very low | 31.5 | Very low | 226 Ų | 226 | 179.4 Ų | 179.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | | 82.8 | 101.5 | 128.6 | -67.9 | 169.8 | 179.8 | 171.3 | -1.1 | 122.1 | | |
| 713 | K | 33.1 | Very low | 31.6 | Very low | 197 Ų | 197 | 174.3 Ų | 174.3 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | | 48.1 | 118 | 122.7 | -60.6 | -174.8 | 176.7 | -171.5 | 0 | 119.7 | | |
| 714 | R | 27.5 | Very low | 31.9 | Very low | 225 Ų | 225 | 171.3 Ų | 171.3 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | | | | 175.5 | 129 | 105.9 | -95.2 | 173.3 | -176.5 | -128.8 | 0.2 | 115.6 | | |
| 715 | R | 27.6 | Very low | 31.2 | Very low | 227 Ų | 227 | 174.7 Ų | 174.7 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | 56.6 | 115.9 | 141.9 | -63 | -175.4 | 174.7 | -112.8 | -2.9 | 123.1 | | |
| 716 | R | 34.6 | Very low | 31.3 | Very low | 241 Ų | 241 | 175.3 Ų | 175.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | 0 | 153.8 | 134.2 | -101 | 179.1 | 174.2 | 170.6 | -2.2 | 118.9 | | |
| 717 | P | 42 | Very low | 31.4 | Very low | 116 Ų | 116 | 175.4 Ų | 175.4 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | | -159.4 | 169.1 | 64.5 | 44.8 | -25.1 | 0 | 0 | 0 | 121.5 | | |
| 718 | K | 28.8 | Very low | 31.3 | Very low | 145 Ų | 145 | 172 Ų | 172 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | | | trans | 61.4 | 141.3 | 146.8 | -145.3 | 76.7 | 174.9 | 167.4 | 0 | 119.1 | | |
| 719 | W | 28.1 | Very low | 31.6 | Very low | 213 Ų | 213 | 169 Ų | 169 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | | | cis | -118 | -158.6 | 14.1 | -65.7 | 82.5 | 0 | 0 | 0 | 111.6 | | |
| 720 | Y | 29.1 | Very low | 31.8 | Very low | 202 Ų | 202 | 167.7 Ų | 167.7 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | cis | 69.8 | 147.5 | 12 | -78.8 | -94.8 | 0 | 0 | 0 | 118.6 | | |
| 721 | S | 30.8 | Very low | 32.5 | Very low | 94 Ų | 94 | 171.5 Ų | 171.5 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | | | cis | -112.3 | 179.7 | -10 | -115.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 722 | D | 32.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 173.8 Ų | 173.8 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | cis | -156.5 | 178.8 | 44.4 | -132.2 | 24.7 | 0 | 0 | 0 | 111.7 | | |
| 723 | D | 33.2 | Very low | 33.2 | Very low | 144 Ų | 144 | 171.6 Ų | 171.6 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | -71 | 175.8 | -171.8 | -58.5 | 172.7 | 0 | 0 | 0 | 113.7 | | |
| 724 | E | 34 | Very low | 33.4 | Very low | 174 Ų | 174 | 170.5 Ų | 170.5 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | cis | -149.9 | 156.3 | 33.4 | -57.1 | 173.6 | 139.7 | 0 | 0 | 112.5 | | |
| 725 | E | 34.7 | Very low | 33.6 | Very low | 179 Ų | 179 | 166.1 Ų | 166.1 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | 39.8 | 153.9 | 165.2 | -24.1 | -55.8 | 71.4 | 0 | 0 | 120.9 | | |
| 726 | E | 33.5 | Very low | 33.9 | Very low | 185 Ų | 185 | 161.9 Ų | 161.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | cis | -151.7 | 166.4 | 14.8 | -169.9 | 172.8 | -176.5 | 0 | 0 | 110.4 | | |
| 727 | E | 30.5 | Very low | 33.8 | Very low | 172 Ų | 172 | 156 Ų | 156 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -53.3 | 132.9 | -173 | -82 | 154.7 | 86.7 | 0 | 0 | 117 | | |
| 728 | T | 29.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | | 61.6 | 145.3 | 90.4 | 82.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 729 | D | 34.4 | Very low | 33.3 | Very low | 150 Ų | 150 | 157 Ų | 157 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | cis | -133.5 | 167.4 | 38.1 | -108.1 | -140.4 | 0 | 0 | 0 | 116 | | |
| 730 | D | 32.9 | Very low | 33.6 | Very low | 161 Ų | 161 | 154 Ų | 154 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -112.8 | 167.6 | 179.2 | -96.9 | -60 | 0 | 0 | 0 | 111.8 | | |
| 731 | E | 44.1 | Very low | 33.6 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | -76.4 | 158.1 | -178.8 | -58.1 | 176.7 | 159.7 | 0 | 0 | 114.4 | | |
| 732 | V | 36.2 | Very low | 33.6 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -137.4 | 142.7 | 162.9 | -159.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 733 | E | 40.7 | Very low | 33.4 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -77.3 | -176.9 | 173.3 | -57.1 | 172.3 | 111.6 | 0 | 0 | 110.1 | | |
| 734 | E | 36.7 | Very low | 33.5 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | cis | -143.1 | 146.7 | 18.1 | -68.9 | 176.7 | 121.6 | 0 | 0 | 107.8 | | |
| 735 | D | 33.2 | Very low | 33.4 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | | 79 | 96 | 60.9 | -143.5 | 16.4 | 0 | 0 | 0 | 114.5 | | |
| 736 | D | 32.1 | Very low | 33.2 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | -179.8 | 115.1 | 147.7 | -99.8 | -18.8 | 0 | 0 | 0 | 110.1 | | |
| 737 | I | 32.8 | Very low | 33.1 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 61% | 0.605 | 78% | 0.777 | S | S | * | * | | | | 55.9 | 143.9 | 91 | 85.8 | -179.5 | 0 | 0 | 0 | 115.4 | | |
| 738 | E | 31.1 | Very low | 33.2 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | cis | -153.4 | 136.7 | 17.2 | -136.2 | 158.7 | -149 | 0 | 0 | 109.2 | | |
| 739 | T | 30.5 | Very low | 33.3 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | | 68.7 | 129.6 | 110.8 | -66.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 740 | E | 34.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | cis | -97.1 | -109 | 7 | -59.1 | 178.3 | 131.9 | 0 | 0 | 114.1 | | |
| 741 | R | 29.2 | Very low | 33.7 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | cis | -152.1 | 174.8 | -7 | -156.5 | 150.5 | 165.4 | 78.3 | 0.9 | 113.4 | | |
| 742 | S | 30 | Very low | 33.3 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -46.8 | 122.6 | -174.4 | 178.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 743 | S | 28.4 | Very low | 33.1 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -144.6 | 150.2 | 133.7 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 744 | D | 34.3 | Very low | 33 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -97.6 | 164.7 | -166.5 | -144.4 | -127.7 | 0 | 0 | 0 | 112.9 | | |
| 745 | Y | 32.4 | Very low | 32.8 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -6 | 122.5 | 170.8 | -77.7 | -108.2 | 0 | 0 | 0 | 119.1 | | |
| 746 | S | 30 | Very low | 32.6 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -91.5 | 142.2 | 156.2 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 747 | D | 32.7 | Very low | 32.3 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | | | trans | -76.4 | 133.6 | -175.5 | 175.8 | 31.1 | 0 | 0 | 0 | 113 | | |
| 748 | S | 32 | Very low | 32.2 | Very low | 109 Ų | 109 | 160.4 Ų | 160.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -166.3 | 59.6 | 163.5 | 72.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 749 | D | 32.2 | Very low | 32.3 | Very low | 146 Ų | 146 | 164.5 Ų | 164.5 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | | | trans | -161.4 | 88.8 | 157.4 | -124.1 | -25.8 | 0 | 0 | 0 | 115.7 | | |
| 750 | L | 32.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 164.1 Ų | 164.1 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -137.3 | 53 | 176.7 | -76.8 | -177.6 | 0 | 0 | 0 | 115.1 | | |
| 751 | D | 43.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 164.6 Ų | 164.6 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | | | trans | -151.7 | 68.5 | 154.1 | -165.4 | 18.6 | 0 | 0 | 0 | 116 | | |
| 752 | M | 35.3 | Very low | 32.4 | Very low | 186 Ų | 186 | 162.6 Ų | 162.6 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -135.7 | 13.1 | 165.6 | -80.6 | -139.9 | 167.3 | 0 | 0 | 116.1 | R754 | M752-R754 VanDerWaalsContact C-N 3.31Å; M752-R754 PolarHBondContact O-N 3.48Å |
| 753 | S | 32.2 | Very low | 32.5 | Very low | 129 Ų | 129 | 165.7 Ų | 165.7 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -87.2 | 20.8 | -176.9 | -154.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 754 | R | 36.9 | Very low | 32.7 | Very low | 219 Ų | 219 | 167.4 Ų | 167.4 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -133.7 | 57 | -178.6 | -159.6 | 176.4 | -78.9 | -144.4 | 0 | 115.5 | M752 | M752-R754 VanDerWaalsContact C-N 3.31Å; M752-R754 PolarHBondContact O-N 3.48Å |
| 755 | R | 32.8 | Very low | 32.4 | Very low | 234 Ų | 234 | 167.9 Ų | 167.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | 174.3 | 119.1 | 139.5 | -95.3 | 155.8 | -139.7 | -135.5 | 7 | 112.9 | | |
| 756 | R | 28.8 | Very low | 32.2 | Very low | 205 Ų | 205 | 164.6 Ų | 164.6 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | | | trans | -164.1 | 154.7 | 135.5 | -109.6 | 168.7 | -160.9 | -117 | -10.4 | 112 | E400 | E400-R756 IonicContact OE1-CZ 3.97Å; E400-R756 IonicContact OE1-NH1 3.1Å; E400-R756 PolarHBondContact OE1-NH1 3.46Å; E400-R756 IonicContact OE1-NH2 3.96Å; E400-R756 PolarHBondContact OE1-NH2 3.17Å; E400-R756 IonicContact OE2-CZ 2.74Å; E400-R756 IonicContact OE2-NH1 3.19Å; E400-R756 PolarHBondContact OE2-NH1 2.84Å; E400-R756 IonicContact OE2-NH2 3.42Å; E400-R756 PolarHBondContact OE2-NH2 3.2Å |
| 757 | S | 27.6 | Very low | 31.9 | Very low | 112 Ų | 112 | 167.2 Ų | 167.2 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | 62.2 | 94.3 | 169.8 | -156.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 758 | R | 29.1 | Very low | 31.9 | Very low | 255 Ų | 255 | 165.5 Ų | 165.5 | 96% | 0.962 | 80% | 0.803 | S | S | * | * | | | trans | -137.1 | 84.1 | 136.6 | -90.7 | -162.8 | 175.5 | -166.8 | 1.1 | 111 | | |
| 759 | R | 35.1 | Very low | 31.7 | Very low | 245 Ų | 245 | 166.8 Ų | 166.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -161.3 | 122.3 | 151.2 | -123.8 | 172.5 | -172.5 | 172.3 | 4.2 | 114.6 | | |
| 760 | S | 31 | Very low | 31.7 | Very low | 114 Ų | 114 | 166.7 Ų | 166.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -146.7 | 131.3 | 145 | 70.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 761 | H | 30.1 | Very low | 31.7 | Very low | 160 Ų | 160 | 165.1 Ų | 165.1 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | 7.8 | 150.4 | 158.6 | -73.5 | -63.4 | 0 | 0 | 0 | 121.7 | | |
| 762 | K | 33.3 | Very low | 31.2 | Very low | 173 Ų | 173 | 161.4 Ų | 161.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | cis | -163 | 132.8 | 22.4 | -136 | 150.7 | -165 | 159.1 | 0 | 114.3 | | |
| 763 | K | 32.1 | Very low | 31 | Very low | 174 Ų | 174 | 157.2 Ų | 157.2 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | trans | 35.7 | 96 | 135.8 | -163 | 166.5 | -174.9 | 161.6 | 0 | 120.3 | | |
| 764 | E | 33.6 | Very low | 31 | Very low | 153 Ų | 153 | 159 Ų | 159 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | | | | 49.1 | 117.5 | 117.2 | -173 | -171.7 | -152 | 0 | 0 | 120.5 | | |
| 765 | V | 28.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | | | trans | -151.7 | 126.5 | 148.5 | -104.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 766 | N | 26.6 | Very low | 30.8 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -49 | 159.7 | 168.4 | -93.6 | -20.2 | 0 | 0 | 0 | 115.8 | | |
| 767 | Y | 25.4 | Very low | 31.1 | Very low | 173 Ų | 173 | 147 Ų | 147 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | cis | -173.6 | 176.9 | -0.3 | -176.1 | -99.2 | 0 | 0 | 0 | 110.6 | E769 | Y767-E769 WeakPolarHBondContact CE1-OE2 3.23Å; Y767-E769 PolarHBondContact OH-OE2 3.16Å |
| 768 | C | 31.3 | Very low | 31.1 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | trans | 68.3 | 134.2 | -177.3 | -74.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 769 | E | 29.4 | Very low | 31.3 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | 80.8 | 107.4 | 33.1 | -59.6 | 174 | 119.1 | 0 | 0 | 115.6 | Y767 | Y767-E769 WeakPolarHBondContact CE1-OE2 3.23Å; Y767-E769 PolarHBondContact OH-OE2 3.16Å |
| 770 | T | 31 | Very low | 31.3 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | | 173.8 | 148.2 | 113.1 | 29.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 771 | S | 31.5 | Very low | 31.4 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -88.9 | 168.3 | 175.5 | -43.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 772 | G | 33.7 | Very low | 31.5 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | 121.4 | 109 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 773 | S | 31.1 | Very low | 31.4 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | | 85.2 | 156.4 | 62.8 | 72.4 | 0 | 0 | 0 | 0 | 114 | | |
| 774 | E | 32.9 | Very low | 31.6 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 44.7 | 108.1 | 165.2 | 70.4 | -139.7 | 83.5 | 0 | 0 | 122 | | |
| 775 | A | 32 | Very low | 31.5 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | | 62.8 | 137.4 | 120.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 776 | S | 32.4 | Very low | 31.6 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -71.6 | 146.3 | 174.4 | -40.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 777 | Q | 34.8 | Very low | 32.5 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | trans | -170 | 167.5 | 130.7 | -97.2 | -52.1 | -29.4 | 0 | 0 | 110.2 | | |
| 778 | A | 29.3 | Very low | 32.8 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -99.7 | 146.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 779 | G | 32.9 | Very low | 32.7 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | -171.2 | 93.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 780 | T | 35 | Very low | 32.6 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 20.8 | 122.8 | 148 | 57.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 781 | N | 32.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | 64.6 | 136.3 | 132.5 | -64 | -45.9 | 0 | 0 | 0 | 122.9 | | |
| 782 | R | 32.8 | Very low | 32.3 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | | | trans | 91.7 | 82.7 | 140.1 | -158.8 | -178.3 | -174 | -170.7 | 1.8 | 121.1 | | |
| 783 | A | 32 | Very low | 32.1 | Very low | 82 Ų | 82 | 146.9 Ų | 146.9 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | | 60.2 | 123.2 | 120.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 784 | K | 34.6 | Very low | 32.1 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | | | trans | 66.5 | 121 | 149.4 | -58.3 | 172.2 | -178.6 | -179.8 | 0 | 118.7 | | |
| 785 | M | 31.6 | Very low | 31.8 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | | 179.5 | -177.3 | 103 | -90.5 | -49.7 | 177.8 | 0 | 0 | 113.2 | | |
| 786 | K | 30.6 | Very low | 31.8 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | trans | -132.6 | -177.8 | -178.8 | -109.3 | -178.9 | -179.2 | -178.6 | 0 | 107 | | |
| 787 | P | 45.4 | Very low | 31.8 | Very low | 90 Ų | 90 | 147.9 Ų | 147.9 | 58% | 0.584 | 77% | 0.769 | S | S | * | * | | | cis | -142 | -160.7 | -24.1 | 36.8 | -14.6 | 0 | 0 | 0 | 114 | | |
| 788 | R | 32.7 | Very low | 31.6 | Very low | 230 Ų | 230 | 142.6 Ų | 142.6 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | | | trans | 75.4 | 168.3 | 154.7 | -73.4 | 169.3 | 176.5 | 149.2 | -3.8 | 118.8 | | |
| 789 | R | 29.3 | Very low | 31.8 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | cis | 163.6 | 112.6 | -36.3 | 177.7 | -151.2 | -166.9 | -157.3 | 5.2 | 109.3 | | |
| 790 | Y | 26.8 | Very low | 31.5 | Very low | 206 Ų | 206 | 148 Ų | 148 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | trans | -179.5 | -174.8 | 159.9 | -125.2 | -123.5 | 0 | 0 | 0 | 110.3 | | |
| 791 | Q | 31.3 | Very low | 31.2 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 58% | 0.579 | 75% | 0.754 | S | S | * | * | | | | -165.9 | 149.6 | -75.2 | -177.7 | 170 | 17.8 | 0 | 0 | 110.5 | | |
| 792 | D | 25.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | | | trans | 45.8 | 126.3 | 161.2 | -80.2 | -75 | 0 | 0 | 0 | 124.4 | | |
| 793 | S | 28.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | | | | 31.9 | 132.5 | 113.3 | -35.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 794 | S | 31 | Very low | 31 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | | | | 176.8 | 145.5 | 119.7 | -115.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 795 | D | 27.2 | Very low | 31 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | | | trans | 51.4 | 134.8 | 142.3 | -66.9 | -74.6 | 0 | 0 | 0 | 123.3 | | |
| 796 | S | 32.9 | Very low | 31 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | 89.3 | 120.4 | 46.1 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 797 | D | 30.4 | Very low | 31 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | | | | -165 | 164.3 | 127.5 | -156.3 | -148.2 | 0 | 0 | 0 | 111.9 | | |
| 798 | A | 32.7 | Very low | 30.4 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | | | trans | -151.1 | 163.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 799 | S | 31.9 | Very low | 30.5 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | | | trans | -178.3 | 130.7 | 155.3 | -90 | 0 | 0 | 0 | 0 | 117.6 | | |
| 800 | F | 26.9 | Very low | 30.6 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | | | trans | 35.7 | 137.2 | 136.7 | -47.9 | -60.6 | 0 | 0 | 0 | 121.9 | | |
| 801 | S | 29.7 | Very low | 30.9 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | | | | -177.3 | 172.2 | 73.1 | -68 | 0 | 0 | 0 | 0 | 110.5 | | |
| 802 | R | 31.7 | Very low | 30.9 | Very low | 204 Ų | 204 | 134.6 Ų | 134.6 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | cis | -177.3 | 178.2 | -16.4 | -95.4 | 174.6 | 72 | -179.8 | -2.8 | 105.3 | | |
| 803 | D | 27.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | | | cis | -167.5 | -178.5 | 2.7 | -111.4 | 14 | 0 | 0 | 0 | 105.5 | | |
| 804 | S | 32.6 | Very low | 31.4 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | | | cis | -177.3 | 165.7 | -32.3 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 805 | E | 36.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | 70.5 | 146 | 169.2 | -39.6 | -168.6 | 156.6 | 0 | 0 | 116.1 | | |
| 806 | D | 30 | Very low | 31.8 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | | | cis | -148.7 | -172.8 | 13.4 | -171.9 | -141.4 | 0 | 0 | 0 | 113.8 | | |
| 807 | E | 31.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 149 Ų | 149 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | | | trans | -48.6 | 133.8 | -165.3 | -82.2 | -133.4 | 83.3 | 0 | 0 | 123.5 | | |
| 808 | S | 31.8 | Very low | 32.5 | Very low | 82 Ų | 82 | 148.2 Ų | 148.2 | 57% | 0.573 | 75% | 0.746 | S | S | * | * | | | | 36.2 | 126.9 | 117.3 | -39.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 809 | K | 35.8 | Very low | 33 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | | | trans | -162.3 | 145.1 | 142.9 | -106.3 | 153.4 | -141.2 | 78.8 | 0 | 113.4 | | |
| 810 | D | 30.3 | Very low | 34.1 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -78.7 | 149.2 | -171.2 | -63 | -108 | 0 | 0 | 0 | 116.1 | | |
| 811 | L | 34.2 | Very low | 35.1 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | | 174.9 | 125.3 | 96.7 | -89.1 | 174.6 | 0 | 0 | 0 | 114.9 | | |
| 812 | K | 31.9 | Very low | 36.1 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 81% | 0.809 | 73% | 0.734 | S | S | * | * | | | trans | 32 | 142.1 | 137.4 | -74.7 | 179.3 | -179.2 | 162.2 | 0 | 122.5 | | |
| 813 | V | 31.5 | Very low | 37.4 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | | | cis | -169.9 | 141.2 | -14.2 | 87.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 814 | K | 32.7 | Very low | 39 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | | | trans | 54.9 | 120.9 | 150.5 | -79.9 | 167 | -177 | 174.7 | 0 | 123.3 | | |
| 815 | R | 32.8 | Very low | 40.1 | Very low | 212 Ų | 212 | 142.4 Ų | 142.4 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | | | | 78.5 | 112.5 | 117.3 | -175.3 | -133.7 | -71.8 | 152 | -9.6 | 119.8 | | |
| 816 | R | 34.2 | Very low | 41 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | | | trans | -139.7 | 153.1 | 134.1 | -72.9 | -164.7 | 176.9 | -99.1 | -2.4 | 111.4 | | |
| 817 | V | 39.7 | Very low | 42.5 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | | | trans | -143.3 | 166.9 | 169.1 | 174.5 | 0 | 0 | 0 | 0 | 105.4 | | |
| 818 | D | 36.7 | Very low | 43.8 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | | | trans | 71.3 | 100.1 | -179.2 | -64.1 | -66.4 | 0 | 0 | 0 | 116.5 | | |
| 819 | S | 44.8 | Very low | 44.9 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | | | trans | -172.1 | 67.8 | 157.3 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 820 | S | 54.1 | Low | 45.9 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 65% | 0.65 | 68% | 0.681 | S | S | * | * | | | trans | -116.2 | -19.3 | 179.6 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 821 | E | 48.5 | Very low | 47.2 | Very low | 133 Ų | 133 | 140 Ų | 140 | 62% | 0.621 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.5 | -19.3 | -174.9 | -76 | -173.9 | 60.1 | 0 | 0 | 115.3 | R825 | E821-R825 WeakPolarHBondContact O-CG 3.38Å; E821-R825 IonicContact OE1-NH2 3.48Å; E821-R825 PolarHBondContact OE1-NH2 3.23Å |
| 822 | D | 50.7 | Low | 48.3 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.7 | -31.9 | -176.5 | -87.7 | -65.2 | 0 | 0 | 0 | 114.1 | R825 Q826 | D822-R825 PolarHBondContact O-N 3.46Å; D822-Q826 PolarHBondContact O-N 3.44Å |
| 823 | D | 58.1 | Low | 49.2 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 44% | 0.439 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.2 | -46.5 | 179.5 | -177 | 70.6 | 0 | 0 | 0 | 111.8 | R825 Q826 R827 | D823-R825 PolarHBondContact O-N 3.3Å; D823-Q826 PolarHBondContact O-N 3.24Å; D823-R827 PolarHBondContact O-N 3.44Å; D823-R827 IonicContact OD2-CZ 3.58Å; D823-R827 IonicContact OD2-NE 2.76Å; D823-R827 PolarHBondContact OD2-NE 2.77Å; D823-R827 IonicContact OD2-NH2 3.45Å; D823-R827 PolarHBondContact OD2-NH2 2.71Å |
| 824 | S | 60.7 | Low | 50.1 | Low | 74 Ų | 74 | 137 Ų | 137 | 52% | 0.517 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -55.5 | -36.6 | 177.2 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | R827 C828 | S824-R827 PolarHBondContact O-N 2.99Å; S824-C828 PolarHBondContact O-N 2.7Å; S824-C828 PolarHBondContact O-SG 3.41Å |
| 825 | R | 56.4 | Low | 50.8 | Low | 152 Ų | 152 | 140 Ų | 140 | 57% | 0.574 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -73.8 | -29.9 | 179.2 | -64.5 | 177.6 | -172.5 | -166.3 | 5.6 | 112.5 | E821 D822 D823 | E821-R825 WeakPolarHBondContact O-CG 3.38Å; E821-R825 IonicContact OE1-NH2 3.48Å; E821-R825 PolarHBondContact OE1-NH2 3.23Å; D822-R825 PolarHBondContact O-N 3.46Å; D823-R825 PolarHBondContact O-N 3.3Å |
| 826 | Q | 55.2 | Low | 51.4 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 53% | 0.528 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -75.8 | -38.1 | 172.7 | -63.7 | -169.4 | 24.2 | 0 | 0 | 112.3 | D822 D823 C828 R829 R830 | D822-Q826 PolarHBondContact O-N 3.44Å; D823-Q826 PolarHBondContact O-N 3.24Å; Q826-C828 PolarHBondContact O-N 3.34Å; Q826-R829 PolarHBondContact O-N 3.36Å; Q826-R830 PolarHBondContact O-N 3.16Å |
| 827 | R | 61 | Low | 51.9 | Low | 156 Ų | 156 | 140.7 Ų | 140.7 | 59% | 0.589 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -58.5 | -47.1 | 179 | -163.3 | 174.9 | -62.5 | -123.8 | 0.2 | 112.2 | D823 S824 R829 R830 L831 | D823-R827 PolarHBondContact O-N 3.44Å; D823-R827 IonicContact OD2-CZ 3.58Å; D823-R827 IonicContact OD2-NE 2.76Å; D823-R827 PolarHBondContact OD2-NE 2.77Å; D823-R827 IonicContact OD2-NH2 3.45Å; D823-R827 PolarHBondContact OD2-NH2 2.71Å; S824-R827 PolarHBondContact O-N 2.99Å; R827-R829 PolarHBondContact O-N 3.05Å; R827-R830 PolarHBondContact O-N 3.09Å; R827-L831 PolarHBondContact O-N 3.26Å |
| 828 | C | 58.3 | Low | 51.7 | Low | 87 Ų | 87 | 139.5 Ų | 139.5 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.4 | -38 | 178.6 | -65.5 | 0 | 0 | 0 | 0 | 113.4 | S824 Q826 R830 L831 A832 | S824-C828 PolarHBondContact O-N 2.7Å; S824-C828 PolarHBondContact O-SG 3.41Å; Q826-C828 PolarHBondContact O-N 3.34Å; C828-R830 VanDerWaalsContact C-N 3.32Å; C828-R830 PolarHBondContact O-N 3.44Å; C828-L831 PolarHBondContact O-N 3.38Å; C828-A832 PolarHBondContact O-N 3.37Å |
| 829 | R | 55.6 | Low | 51.7 | Low | 194 Ų | 194 | 138 Ų | 138 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65 | -35.6 | 176.4 | -69.8 | -179.8 | -178.6 | -178.3 | 1.7 | 112.4 | Q826 R827 L831 A832 | Q826-R829 PolarHBondContact O-N 3.36Å; R827-R829 PolarHBondContact O-N 3.05Å; R829-L831 VanDerWaalsContact C-N 3.34Å; R829-L831 PolarHBondContact O-N 3.49Å; R829-A832 PolarHBondContact O-N 3.24Å |
| 830 | R | 56 | Low | 51.3 | Low | 182 Ų | 182 | 143.1 Ų | 143.1 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.5 | -32.4 | 179.5 | -156.1 | 177.6 | -63 | 175.5 | 2.9 | 112.5 | Q826 R827 C828 | Q826-R830 PolarHBondContact O-N 3.16Å; R827-R830 PolarHBondContact O-N 3.09Å; C828-R830 VanDerWaalsContact C-N 3.32Å; C828-R830 PolarHBondContact O-N 3.44Å |
| 831 | L | 58.6 | Low | 50.2 | Low | 119 Ų | 119 | 145 Ų | 145 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.1 | -38.9 | 175.5 | -66.5 | 172.4 | 0 | 0 | 0 | 112.7 | R827 C828 R829 L833 K834 | R827-L831 PolarHBondContact O-N 3.26Å; C828-L831 PolarHBondContact O-N 3.38Å; R829-L831 VanDerWaalsContact C-N 3.34Å; R829-L831 PolarHBondContact O-N 3.49Å; L831-L833 VanDerWaalsContact C-N 3.34Å; L831-L833 PolarHBondContact O-N 3.38Å; L831-K834 PolarHBondContact O-N 3.43Å; L831-K834 VanDerWaalsContact O-N 3.16Å |
| 832 | A | 57.2 | Low | 49.5 | Very low | 67 Ų | 67 | 143.4 Ų | 143.4 | 55% | 0.554 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -61.2 | -38.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C828 R829 K834 | C828-A832 PolarHBondContact O-N 3.37Å; R829-A832 PolarHBondContact O-N 3.24Å; A832-K834 VanDerWaalsContact C-N 3.34Å |
| 833 | L | 49.7 | Very low | 48.7 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.6 | -25.2 | 177.6 | -70.7 | 171.2 | 0 | 0 | 0 | 113.2 | L831 R835 R836 | L831-L833 VanDerWaalsContact C-N 3.34Å; L831-L833 PolarHBondContact O-N 3.38Å; L833-R835 VanDerWaalsContact C-N 3.26Å; L833-R835 PolarHBondContact O-N 3.45Å; L833-R836 PolarHBondContact O-N 3.47Å |
| 834 | K | 50.8 | Low | 47.5 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76.3 | -10.4 | -179.2 | -153.6 | 166.6 | -176.4 | 179.5 | 0 | 113.4 | L831 A832 | L831-K834 PolarHBondContact O-N 3.43Å; L831-K834 VanDerWaalsContact O-N 3.16Å; A832-K834 VanDerWaalsContact C-N 3.34Å |
| 835 | R | 48.2 | Very low | 46.1 | Very low | 234 Ų | 234 | 150 Ų | 150 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 12.3 | 171.9 | -75.6 | -168.5 | 173.3 | -164.2 | -2.1 | 114.9 | L833 | L833-R835 VanDerWaalsContact C-N 3.26Å; L833-R835 PolarHBondContact O-N 3.45Å |
| 836 | R | 45.6 | Very low | 45.1 | Very low | 224 Ų | 224 | 147.7 Ų | 147.7 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 18.6 | 179.7 | -72.5 | -165.9 | 174.1 | -156 | -1.9 | 115.6 | L833 | L833-R836 PolarHBondContact O-N 3.47Š|
| 837 | R | 44.7 | Very low | 43.9 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -142.8 | 80.3 | 167.6 | -85.6 | -172.4 | 169.2 | 162.8 | -4.5 | 110.2 | | |
| 838 | A | 35 | Very low | 42.8 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -165.6 | 77.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 839 | S | 37.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -162 | 61.1 | -179.2 | 64.1 | 0 | 0 | 0 | 0 | 112 | | |
| 840 | R | 35.6 | Very low | 40.4 | Very low | 220 Ų | 220 | 150.4 Ų | 150.4 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | -173 | 150.3 | 163 | -114.7 | 167.3 | -175.9 | -99.9 | -2 | 109.1 | | |
| 841 | D | 31 | Very low | 39.4 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 60.6 | 105.6 | 166.8 | -35.7 | -34 | 0 | 0 | 0 | 113 | | |
| 842 | S | 33.7 | Very low | 38.5 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | cis | 74.7 | 129.1 | 32.7 | -147 | 0 | 0 | 0 | 0 | 114.5 | | |
| 843 | D | 34.6 | Very low | 37.4 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | 103 | 131.6 | 158.3 | -48.5 | -12.5 | 0 | 0 | 0 | 117.5 | | |
| 844 | S | 31.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | 57.5 | 139.4 | 157.8 | -80.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 845 | D | 31.2 | Very low | 36 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | cis | -143.5 | 168.9 | -5.7 | -74.7 | -49.6 | 0 | 0 | 0 | 109.2 | | |
| 846 | S | 36.5 | Very low | 35.6 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -126.5 | 164.7 | 172.8 | -164.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 847 | D | 30.6 | Very low | 35.6 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | 87.8 | 100.2 | 163.6 | -53.8 | -8.5 | 0 | 0 | 0 | 116.7 | | |
| 848 | S | 36.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | -157.3 | 81.7 | 169.8 | 167.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 849 | D | 32.1 | Very low | 35.4 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 95% | 0.947 | 75% | 0.749 | S | S | * | * | | | trans | -112.2 | 114.7 | 166.6 | -93.5 | -51.8 | 0 | 0 | 0 | 109.3 | | |
| 850 | D | 31.2 | Very low | 35.8 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | | | trans | -103.2 | 158.7 | 174.2 | -177.1 | -145.4 | 0 | 0 | 0 | 110.8 | | |
| 851 | S | 35.6 | Very low | 36.1 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | | | trans | -106.3 | 136.3 | -163.2 | 176.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 852 | S | 38.8 | Very low | 36.5 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | -166.7 | 119.3 | 147.7 | 6.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 853 | E | 35.9 | Very low | 36.7 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | | | | 82.9 | 137.6 | 77.6 | -73.1 | 169.8 | 173.8 | 0 | 0 | 114.1 | | |
| 854 | E | 36 | Very low | 36.7 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | cis | -130.9 | -155.6 | 11.2 | -163.4 | -113.4 | 106.7 | 0 | 0 | 112.5 | | |
| 855 | D | 34.3 | Very low | 37 | Very low | 69 Ų | 69 | 144.9 Ų | 144.9 | 37% | 0.369 | 74% | 0.741 | S | S | . | * | | | trans | -88.3 | -95.1 | -169 | -155.6 | 38.6 | 0 | 0 | 0 | 115 | Y522 | Y522-D855 PolarHBondContact OH-OD2 3.33Š|
| 856 | R | 39.1 | Very low | 37.2 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 60% | 0.604 | 73% | 0.733 | S | S | * | * | | | trans | -155.7 | -174.3 | -139.4 | -77.2 | 178.3 | -165.2 | 134.4 | 11.9 | 118.1 | Y522 I858 | Y522-R856 VanDerWaalsContact CZ-NH1 3.33Å; Y522-R856 PolarHBondContact OH-NH1 2.74Å; R856-I858 HydrophobicContact CB-CG1 4.06Å |
| 857 | P | 46.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 87% | 0.87 | 73% | 0.734 | S | S | * | * | | | | -130.2 | 165.5 | 102.1 | 38.7 | -32 | 0 | 0 | 0 | 115.8 | | |
| 858 | I | 38.2 | Very low | 38 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 46% | 0.456 | 74% | 0.735 | S | S | . | * | | | trans | -119.6 | 137 | -156 | -54.9 | 147.7 | 0 | 0 | 0 | 113.1 | Y522 R856 | Y522-I858 WeakPolarHBondContact OH-CD1 3.19Å; R856-I858 HydrophobicContact CB-CG1 4.06Å |
| 859 | R | 35.9 | Very low | 38 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | | | trans | -162.2 | 99.3 | 143.3 | -115.3 | 160.5 | 175.4 | 85.3 | -4.7 | 117.1 | | |
| 860 | K | 45.7 | Very low | 38.3 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 67% | 0.665 | 72% | 0.723 | S | S | * | * | | | | 28.2 | 145.6 | 128 | -55.5 | 176.7 | -177.6 | 178.9 | 0 | 119.7 | | |
| 861 | R | 42.5 | Very low | 38.7 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 64% | 0.638 | 72% | 0.72 | S | S | * | * | | | cis | 180 | 147.9 | -9.3 | -103.7 | -178.7 | -170.4 | 169.6 | 0.7 | 105.8 | | |
| 862 | V | 40.3 | Very low | 38.7 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | | | | -172.3 | 105.8 | 123.7 | -94.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 863 | N | 37.4 | Very low | 38.8 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | trans | 22.6 | 110.9 | 141.2 | -54.4 | 34.3 | 0 | 0 | 0 | 119.6 | | |
| 864 | R | 34.1 | Very low | 38.9 | Very low | 209 Ų | 209 | 149.6 Ų | 149.6 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | | | | -131.1 | 127.7 | 129.4 | -173.2 | 179.1 | 179 | 109.5 | 8.3 | 107.2 | D866 | R864-D866 IonicContact CZ-OD2 3.56Å; R864-D866 IonicContact NE-OD1 2.71Å; R864-D866 IonicContact NE-OD2 2.76Å; R864-D866 PolarHBondContact NE-OD2 3.42Å; R864-D866 IonicContact NH2-OD1 3.53Å; R864-D866 IonicContact NH2-OD2 3.88Å |
| 865 | I | 38.1 | Very low | 38.8 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | | | trans | -113.7 | 116.6 | 172.3 | -58.8 | 170.1 | 0 | 0 | 0 | 104.4 | | |
| 866 | D | 34.6 | Very low | 38.8 | Very low | 122 Ų | 122 | 153.1 Ų | 153.1 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 125.7 | 153.7 | -66.1 | -78.1 | 0 | 0 | 0 | 103.4 | R864 | R864-D866 IonicContact CZ-OD2 3.56Å; R864-D866 IonicContact NE-OD1 2.71Å; R864-D866 IonicContact NE-OD2 2.76Å; R864-D866 PolarHBondContact NE-OD2 3.42Å; R864-D866 IonicContact NH2-OD1 3.53Å; R864-D866 IonicContact NH2-OD2 3.88Å |
| 867 | S | 41.8 | Very low | 38.4 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 139.8 | 173.5 | -65.8 | 0 | 0 | 0 | 0 | 108 | | |
| 868 | D | 43.4 | Very low | 37.7 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 155.2 | 161.6 | -95.4 | -53.6 | 0 | 0 | 0 | 110.2 | | |
| 869 | D | 36.7 | Very low | 37.3 | Very low | 146 Ų | 146 | 158.9 Ų | 158.9 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 133.3 | 168 | -69.4 | 143.9 | 0 | 0 | 0 | 108.8 | | |
| 870 | D | 38.8 | Very low | 37.2 | Very low | 137 Ų | 137 | 157 Ų | 157 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -111.4 | 93.3 | 167.1 | -78.4 | -55.8 | 0 | 0 | 0 | 106.5 | R516 | R516-D870 IonicContact NH2-OD2 2.9Š|
| 871 | D | 38.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 158.5 Ų | 158.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -84.7 | 121 | 167.5 | -78.3 | -39.1 | 0 | 0 | 0 | 109.2 | | |
| 872 | D | 36.2 | Very low | 36.1 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | | | trans | -141.6 | 99.4 | 167.3 | -84.8 | -41.3 | 0 | 0 | 0 | 106.5 | K509 | K509-D872 IonicContact NZ-OD2 2.7Å; K509-D872 PolarHBondContact NZ-OD2 2.82Å |
| 873 | E | 41.1 | Very low | 35.7 | Very low | 196 Ų | 196 | 158 Ų | 158 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -89.2 | 140.6 | 170.8 | -69 | -174.2 | 142.3 | 0 | 0 | 110.4 | | |
| 874 | E | 36.4 | Very low | 35.4 | Very low | 200 Ų | 200 | 158.5 Ų | 158.5 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | | | trans | -86.9 | 122.2 | 175.8 | -65.4 | -175.1 | 148.8 | 0 | 0 | 110.7 | E876 | E874-E876 PolarHBondContact O-N 3.45Š|
| 875 | E | 34.8 | Very low | 35.1 | Very low | 164 Ų | 164 | 155.8 Ų | 155.8 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -80.5 | 104.1 | 169.4 | -78.3 | -161.6 | 171 | 0 | 0 | 111.5 | Q877 | E875-Q877 PolarHBondContact OE2-NE2 3.21Š|
| 876 | E | 33.3 | Very low | 34.7 | Very low | 162 Ų | 162 | 157.6 Ų | 157.6 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | -76.4 | 114.6 | 149.9 | -82.6 | -157.3 | 170.9 | 0 | 0 | 109.5 | E874 Q878 | E874-E876 PolarHBondContact O-N 3.45Å; E876-Q878 PolarHBondContact OE2-NE2 3.3Å |
| 877 | Q | 32.4 | Very low | 34.3 | Very low | 162 Ų | 162 | 157.3 Ų | 157.3 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | trans | -108.6 | 114 | 163.1 | -66.1 | -159.3 | 37.6 | 0 | 0 | 110.6 | E875 | E875-Q877 PolarHBondContact OE2-NE2 3.21Š|
| 878 | Q | 30.8 | Very low | 33.8 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 145.1 | 177.9 | -58.6 | -179.8 | 14.2 | 0 | 0 | 110.4 | E876 E880 | E876-Q878 PolarHBondContact OE2-NE2 3.3Å; Q878-E880 PolarHBondContact O-N 3.49Å |
| 879 | E | 31 | Very low | 33.3 | Very low | 183 Ų | 183 | 158.2 Ų | 158.2 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 117 | -177.7 | -61.5 | -174 | 135.1 | 0 | 0 | 113.2 | | |
| 880 | E | 33.3 | Very low | 33.1 | Very low | 191 Ų | 191 | 159 Ų | 159 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 129.3 | 164.7 | -77.7 | -143.8 | 136.3 | 0 | 0 | 112.5 | Q878 | Q878-E880 PolarHBondContact O-N 3.49Š|
| 881 | K | 28.8 | Very low | 32.8 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -114.2 | 117.9 | 169.1 | -91.6 | 177.9 | 176 | 156.2 | 0 | 111.8 | | |
| 882 | P | 36.1 | Very low | 32.5 | Very low | 131 Ų | 131 | 161.1 Ų | 161.1 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -81 | 127.5 | 174.2 | 30.6 | -32.8 | 0 | 0 | 0 | 113.1 | | |
| 883 | K | 31.3 | Very low | 32.3 | Very low | 170 Ų | 170 | 164.2 Ų | 164.2 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 164.1 | 151.4 | -75.9 | 156.5 | 157 | -86.6 | 0 | 108.6 | | |
| 884 | E | 32 | Very low | 31.9 | Very low | 142 Ų | 142 | 163.3 Ų | 163.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | cis | -164.3 | 152.8 | -2.8 | -119.8 | 163 | -130.3 | 0 | 0 | 106.7 | | |
| 885 | T | 27.6 | Very low | 31.6 | Very low | 152 Ų | 152 | 163.3 Ų | 163.3 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | | | trans | -139.2 | 156.4 | 151.1 | 41.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 886 | K | 29.5 | Very low | 31.4 | Very low | 172 Ų | 172 | 162.2 Ų | 162.2 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -142.7 | 153.5 | -158.1 | 177.4 | -164.5 | 175.8 | -138.7 | 0 | 110.1 | E888 | K886-E888 IonicContact NZ-OE1 2.69Š|
| 887 | V | 27.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 160.2 Ų | 160.2 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | | | trans | 147.1 | 133.4 | 156.5 | 155.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 888 | E | 31 | Very low | 31.2 | Very low | 115 Ų | 115 | 162.4 Ų | 162.4 | 54% | 0.537 | 79% | 0.792 | S | S | . | * | | | cis | -166.9 | 150 | -19.3 | -115 | 148.1 | -158 | 0 | 0 | 109.1 | K886 | K886-E888 IonicContact NZ-OE1 2.69Š|
| 889 | E | 32.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 157.8 Ų | 157.8 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | 61.9 | 150.7 | 143.4 | -66.6 | 168.4 | -180 | 0 | 0 | 120.2 | | |
| 890 | E | 32 | Very low | 31 | Very low | 164 Ų | 164 | 155 Ų | 155 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | cis | -140.2 | 148.9 | 10.3 | -71.1 | -174.1 | 130.5 | 0 | 0 | 114.4 | | |
| 891 | E | 32.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | | | trans | 57.4 | 121.2 | 138.7 | -62.3 | -171.4 | 163.3 | 0 | 0 | 127.9 | | |
| 892 | E | 32.5 | Very low | 30.6 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | | 55.8 | 154 | 129.7 | -52.6 | -147.1 | 128.7 | 0 | 0 | 123.3 | | |
| 893 | E | 33 | Very low | 30.4 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | cis | -125.7 | -175 | 13.6 | -76.7 | -170.2 | 123.7 | 0 | 0 | 114.6 | | |
| 894 | K | 31.4 | Very low | 30.2 | Very low | 178 Ų | 178 | 148 Ų | 148 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | -102.9 | 165.4 | -174.5 | -55.2 | 175.5 | 173.9 | 179.1 | 0 | 115.4 | | |
| 895 | E | 30.6 | Very low | 30.1 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | | -168.7 | 163.9 | 105.8 | -102.7 | -169.2 | 173.4 | 0 | 0 | 113.8 | | |
| 896 | D | 30.8 | Very low | 30.1 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -100.4 | 148.2 | -159.7 | -67.5 | -92.8 | 0 | 0 | 0 | 116.9 | | |
| 897 | S | 32.1 | Very low | 30.1 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -160.5 | 63.3 | 152.9 | 55.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 898 | K | 30 | Very low | 30.2 | Very low | 207 Ų | 207 | 148 Ų | 148 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | | | trans | 19.5 | 126.3 | 136.9 | -176.2 | 179.5 | -176.1 | 173.2 | 0 | 121.8 | | |
| 899 | G | 27.8 | Very low | 30 | Very low | 62 Ų | 62 | 151.6 Ų | 151.6 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | | | trans | 153.7 | 77 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 900 | T | 30 | Very low | 29.9 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | | 72 | 125.8 | 96.8 | 59 | 0 | 0 | 0 | 0 | 119.4 | | |
| 901 | N | 27.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | 74.7 | 156.7 | 161.2 | -66.4 | 6.3 | 0 | 0 | 0 | 119.4 | | |
| 902 | S | 26.1 | Very low | 30.2 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | | | cis | -176 | 137.4 | -32 | -174 | 0 | 0 | 0 | 0 | 109.9 | | |
| 903 | L | 31.2 | Very low | 29.9 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | 51.5 | 116.7 | 156.6 | -73 | 170.7 | 0 | 0 | 0 | 121.1 | | |
| 904 | D | 28.3 | Very low | 29.7 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | | 58.5 | 125.3 | 112.7 | -163.9 | -3.4 | 0 | 0 | 0 | 120.1 | | |
| 905 | R | 29 | Very low | 29.6 | Very low | 214 Ų | 214 | 143 Ų | 143 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | -156.4 | 113 | 151.8 | -166 | 169.8 | 170.4 | 74.1 | 12.3 | 113.7 | | |
| 906 | H | 27.2 | Very low | 29.8 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -69.6 | 170.3 | 167.7 | -111.1 | -97.1 | 0 | 0 | 0 | 114.7 | | |
| 907 | T | 29.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -40.8 | 156.4 | 169.8 | 39 | 0 | 0 | 0 | 0 | 115.9 | | |
| 908 | A | 30.5 | Very low | 29.6 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | trans | -142.4 | 140.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 909 | E | 27.2 | Very low | 29.7 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -77.2 | 179.2 | -176.6 | -61.2 | 161.4 | 81.3 | 0 | 0 | 114.4 | | |
| 910 | K | 28.7 | Very low | 30 | Very low | 202 Ų | 202 | 142.4 Ų | 142.4 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | | | trans | -130.2 | 134.1 | 163.5 | -65.5 | 175.3 | -177.2 | 168.6 | 0 | 110.3 | | |
| 911 | Q | 27.6 | Very low | 30 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | trans | -141.2 | 159.2 | 154.7 | -85.5 | -140.2 | 2.1 | 0 | 0 | 111.2 | | |
| 912 | P | 44.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | trans | -99.2 | 174.6 | -160.8 | 38.8 | -36.4 | 0 | 0 | 0 | 114.6 | | |
| 913 | A | 26.5 | Very low | 30.1 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -131.4 | 143.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 914 | N | 28.5 | Very low | 30 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | | | trans | -90.3 | 155.1 | -179.9 | -162.1 | -5.1 | 0 | 0 | 0 | 111.5 | | |
| 915 | G | 30.2 | Very low | 30 | Very low | 60 Ų | 60 | 142 Ų | 142 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | | | trans | -99.6 | -176.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 916 | Q | 32.8 | Very low | 29.8 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | | | trans | -166.1 | 165.8 | 167.5 | -120.6 | 177.4 | 18.7 | 0 | 0 | 115.9 | | |
| 917 | S | 30.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | 84 | 153.4 | 156.1 | 79.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 918 | E | 29.3 | Very low | 30.6 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | | -169.4 | 145.9 | -50.4 | -129.5 | -165 | -169.2 | 0 | 0 | 113.7 | | |
| 919 | T | 31.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 58% | 0.583 | 79% | 0.785 | S | S | * | * | | | trans | 69.3 | 163.4 | 157.1 | 71.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 920 | K | 35 | Very low | 30.8 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | | | cis | -161.5 | 152.2 | 12.4 | -129.4 | 143.7 | -142.7 | 127.9 | 0 | 112.1 | | |
| 921 | N | 28.8 | Very low | 30.8 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 68.2 | 157.8 | 149.9 | -63.2 | -10.2 | 0 | 0 | 0 | 121 | | |
| 922 | L | 31 | Very low | 30.9 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | cis | -175.9 | 163.1 | -18.1 | -93.6 | 172.3 | 0 | 0 | 0 | 105.6 | | |
| 923 | D | 25.8 | Very low | 31 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | cis | -170.2 | 163.8 | -14.5 | -179.1 | 34.3 | 0 | 0 | 0 | 110.6 | | |
| 924 | G | 27.6 | Very low | 31.3 | Very low | 56 Ų | 56 | 131.9 Ų | 131.9 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | | | trans | 84.3 | 156.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 925 | V | 28.7 | Very low | 31.3 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 90% | 0.903 | 75% | 0.746 | S | S | * | * | | | cis | -157 | 136.3 | -3.7 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 926 | A | 25.7 | Very low | 31.4 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | 165.5 | 153 | 141.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 927 | A | 29.5 | Very low | 31.2 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -140.7 | 173.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 928 | P | 44.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | | | | -155.6 | 147.8 | 92.4 | 38.5 | -19.6 | 0 | 0 | 0 | 118.8 | | |
| 929 | H | 31.6 | Very low | 31.2 | Very low | 152 Ų | 152 | 126 Ų | 126 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | | | trans | 62.5 | 146 | 152.2 | -115.7 | -128.1 | 0 | 0 | 0 | 119.2 | E931 | H929-E931 IonicContact CE1-OE1 3.66Š|
| 930 | L | 29.5 | Very low | 32 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | cis | -141.7 | 135.4 | 32.2 | -93.1 | 148.5 | 0 | 0 | 0 | 114.2 | | |
| 931 | E | 27.6 | Very low | 31.7 | Very low | 156 Ų | 156 | 125 Ų | 125 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | trans | 48.6 | 164.6 | 144.4 | -67.6 | -176.3 | -160.4 | 0 | 0 | 124.5 | H929 | H929-E931 IonicContact CE1-OE1 3.66Š|
| 932 | T | 30.3 | Very low | 31.9 | Very low | 123 Ų | 123 | 123 Ų | 123 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -144.8 | 167.9 | -170.7 | 71.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 933 | P | 45.9 | Very low | 32.7 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | | -164.7 | 143 | 83.3 | 39.5 | -16.9 | 0 | 0 | 0 | 120.5 | | |
| 934 | K | 33.4 | Very low | 33 | Very low | 186 Ų | 186 | 121.7 Ų | 121.7 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | | | trans | 64.6 | 161.1 | 134.6 | -60.9 | 170.8 | -173.7 | 168 | 0 | 118.7 | | |
| 935 | T | 29.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | | | cis | -160.4 | 142.1 | 12.2 | -6.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 936 | V | 31.5 | Very low | 33.3 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | 46.2 | 120.7 | 148.5 | -55.3 | 0 | 0 | 0 | 0 | 125.4 | | |
| 937 | S | 28.8 | Very low | 33.5 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | | 46.7 | 139.4 | 127.4 | 74.7 | 0 | 0 | 0 | 0 | 125.6 | | |
| 938 | S | 30.9 | Very low | 33.6 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | trans | 104.1 | 107.4 | 140.7 | -56.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 939 | T | 29.1 | Very low | 33 | Very low | 128 Ų | 128 | 127 Ų | 127 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 7.9 | 157.2 | 135.2 | 56.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 940 | P | 48.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | cis | -143.1 | -168.4 | -29.5 | 41.1 | -22.4 | 0 | 0 | 0 | 114.5 | | |
| 941 | A | 27.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | 90.1 | 159.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 942 | A | 34.6 | Very low | 33.4 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -87.1 | -177.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 943 | P | 46.1 | Very low | 33.9 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | cis | -146.8 | 171.9 | 33.2 | 43.4 | -22.6 | 0 | 0 | 0 | 120.1 | | |
| 944 | N | 33.8 | Very low | 33.5 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | 44.6 | 127.2 | 149.8 | -64.9 | 12.9 | 0 | 0 | 0 | 123.1 | | |
| 945 | G | 28.6 | Very low | 33.6 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | -164.3 | 142.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 946 | L | 33.5 | Very low | 34.5 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | | | trans | -96.9 | 141.7 | -177.1 | -71.6 | 77.7 | 0 | 0 | 0 | 112.2 | | |
| 947 | A | 29.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | | -173.3 | 139.7 | 123.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 948 | G | 30.4 | Very low | 36.3 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -105 | 179.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 949 | Q | 32.8 | Very low | 37.3 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | -151.1 | 157.9 | 155.5 | -144.4 | 165 | -4.6 | 0 | 0 | 108.6 | | |
| 950 | E | 33.8 | Very low | 38.7 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | trans | -69.4 | 158.3 | 179.1 | -68.3 | 141.7 | 105.1 | 0 | 0 | 112.4 | | |
| 951 | M | 32.7 | Very low | 38.9 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | -139.8 | 119.1 | 157 | 45.9 | -171 | 166.8 | 0 | 0 | 108.2 | | |
| 952 | V | 31.1 | Very low | 40.2 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 136.6 | 177 | 171.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 953 | A | 39.6 | Very low | 41.1 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 131.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 954 | Q | 38.2 | Very low | 41.7 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 139.6 | 175.9 | -68.5 | 171.6 | -121.3 | 0 | 0 | 109.5 | | |
| 955 | D | 34.4 | Very low | 42.7 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 119.1 | 162.9 | -55.9 | -75.9 | 0 | 0 | 0 | 107.3 | D957 | D955-D957 VanDerWaalsContact C-N 3.35Š|
| 956 | D | 49.1 | Very low | 44.2 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | -93.2 | 11.2 | -175.4 | -75.6 | -43.6 | 0 | 0 | 0 | 112.6 | | |
| 957 | D | 47 | Very low | 45.6 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | trans | -93.2 | 0.3 | -171.7 | -69.4 | -63.9 | 0 | 0 | 0 | 114.9 | D955 | D955-D957 VanDerWaalsContact C-N 3.35Š|
| 958 | E | 51.8 | Low | 47.3 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -89 | -23.7 | -173.4 | -61.3 | -160.8 | 129.5 | 0 | 0 | 115.3 | D960 | E958-D960 PolarHBondContact O-N 3.02Š|
| 959 | D | 51.5 | Low | 48.9 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -26.4 | -169 | -95.3 | -30.3 | 0 | 0 | 0 | 114.4 | L961 L962 | D959-L961 VanDerWaalsContact C-N 3.31Å; D959-L961 PolarHBondContact O-N 3.22Å; D959-L962 PolarHBondContact O-N 2.93Å |
| 960 | D | 57.4 | Low | 50.6 | Low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.2 | -20.9 | -174.9 | -103.4 | -7.7 | 0 | 0 | 0 | 113.6 | E958 | E958-D960 PolarHBondContact O-N 3.02Å |
| 961 | L | 53.9 | Low | 52.2 | Low | 129 Ų | 129 | 122.7 Ų | 122.7 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.3 | -31.2 | 176 | -87.6 | 98.8 | 0 | 0 | 0 | 113.1 | D959 G963 V964 | D959-L961 VanDerWaalsContact C-N 3.31Å; D959-L961 PolarHBondContact O-N 3.22Å; L961-G963 VanDerWaalsContact C-N 3.3Å; L961-G963 PolarHBondContact O-N 3.26Å; L961-V964 PolarHBondContact O-N 3Å |
| 962 | L | 54 | Low | 53.5 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 60% | 0.602 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.1 | -25.8 | -177.8 | -63.1 | 177.5 | 0 | 0 | 0 | 112.3 | D959 V964 T965 D966 | D959-L962 PolarHBondContact O-N 2.93Å; L962-V964 VanDerWaalsContact C-N 3.28Å; L962-V964 PolarHBondContact O-N 2.98Å; L962-T965 PolarHBondContact O-OG1 2.9Å; L962-D966 PolarHBondContact O-N 3.18Å |
| 963 | G | 54.7 | Low | 54.8 | Low | 49 Ų | 49 | 117.1 Ų | 117.1 | 51% | 0.505 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67 | -26.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L961 L967 | L961-G963 VanDerWaalsContact C-N 3.3Å; L961-G963 PolarHBondContact O-N 3.26Å; G963-L967 PolarHBondContact O-N 3.19Å |
| 964 | V | 57 | Low | 55.4 | Low | 91 Ų | 91 | 116.4 Ų | 116.4 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.8 | -40.3 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 111 | L961 L962 L967 V968 | L961-V964 PolarHBondContact O-N 3Å; L962-V964 VanDerWaalsContact C-N 3.28Å; L962-V964 PolarHBondContact O-N 2.98Å; V964-L967 PolarHBondContact O-N 3.42Å; V964-V968 WeakPolarHBondContact O-CG2 3.49Å; V964-V968 PolarHBondContact O-N 3.36Å; V964-V968 VanDerWaalsContact O-N 3.08Å |
| 965 | T | 55.1 | Low | 55.9 | Low | 83 Ų | 83 | 117.3 Ų | 117.3 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.5 | -43.1 | 178.1 | 40.7 | 0 | 0 | 0 | 0 | 112.6 | L962 L967 V968 D969 | L962-T965 PolarHBondContact O-OG1 2.9Å; T965-L967 VanDerWaalsContact C-N 3.28Å; T965-L967 PolarHBondContact O-N 2.65Å; T965-V968 PolarHBondContact O-N 3.37Å; T965-D969 PolarHBondContact O-N 3.3Å |
| 966 | D | 59.8 | Low | 56.5 | Low | 126 Ų | 126 | 119.4 Ų | 119.4 | 67% | 0.674 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.8 | -33.2 | 177.4 | -111.6 | 26.6 | 0 | 0 | 0 | 112 | L962 Y970 | L962-D966 PolarHBondContact O-N 3.18Å; D966-Y970 VanDerWaalsContact O-CB 3.31Å; D966-Y970 WeakPolarHBondContact O-CB 3.06Å; D966-Y970 PolarHBondContact O-N 2.87Å |
| 967 | L | 63.8 | Low | 56 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 59% | 0.586 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.4 | -38.7 | 176.2 | -174.7 | 60.5 | 0 | 0 | 0 | 112.4 | G963 V964 T965 Y970 V971 | G963-L967 PolarHBondContact O-N 3.19Å; V964-L967 PolarHBondContact O-N 3.42Å; T965-L967 VanDerWaalsContact C-N 3.28Å; T965-L967 PolarHBondContact O-N 2.65Å; L967-Y970 PolarHBondContact O-N 3.09Å; L967-V971 WeakPolarHBondContact O-CG2 3.24Å; L967-V971 PolarHBondContact O-N 2.77Å |
| 968 | V | 65.2 | Low | 56.5 | Low | 83 Ų | 83 | 122.1 Ų | 122.1 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64 | -46.4 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | V964 T965 Y970 V971 C972 | V964-V968 WeakPolarHBondContact O-CG2 3.49Å; V964-V968 PolarHBondContact O-N 3.36Å; V964-V968 VanDerWaalsContact O-N 3.08Å; T965-V968 PolarHBondContact O-N 3.37Å; V968-Y970 VanDerWaalsContact C-N 3.31Å; V968-Y970 PolarHBondContact O-N 2.78Å; V968-V971 PolarHBondContact O-N 2.7Å; V968-C972 WeakPolarHBondContact O-CB 3.14Å; V968-C972 PolarHBondContact O-N 3.11Å; V968-C972 PolarHBondContact O-SG 3.33Å; V968-C972 VanDerWaalsContact O-SG 3.39Å |
| 969 | D | 64.1 | Low | 56.7 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 52% | 0.524 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.2 | -34.7 | 175.9 | -95 | -5 | 0 | 0 | 0 | 112.2 | T965 N973 | T965-D969 PolarHBondContact O-N 3.3Å; D969-N973 VanDerWaalsContact O-CB 3.31Å; D969-N973 WeakPolarHBondContact O-CB 3.29Å; D969-N973 PolarHBondContact O-N 2.86Å; D969-N973 PolarHBondContact O-ND2 3.29Å |
| 970 | Y | 67.6 | Low | 57 | Low | 158 Ų | 158 | 119.2 Ų | 119.2 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.6 | -33.7 | 174.2 | -172 | -105.1 | 0 | 0 | 0 | 113.3 | D966 L967 V968 N974 | D966-Y970 VanDerWaalsContact O-CB 3.31Å; D966-Y970 WeakPolarHBondContact O-CB 3.06Å; D966-Y970 PolarHBondContact O-N 2.87Å; L967-Y970 PolarHBondContact O-N 3.09Å; V968-Y970 VanDerWaalsContact C-N 3.31Å; V968-Y970 PolarHBondContact O-N 2.78Å; Y970-N974 WeakPolarHBondContact CE1-ND2 3.47Å; Y970-N974 VanDerWaalsContact CZ-ND2 3.26Å; Y970-N974 PolarHBondContact O-ND2 3.39Å |
| 971 | V | 69.1 | Low | 57 | Low | 96 Ų | 96 | 117.4 Ų | 117.4 | 58% | 0.582 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.4 | -50.1 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | L967 V968 N973 N974 | L967-V971 WeakPolarHBondContact O-CG2 3.24Å; L967-V971 PolarHBondContact O-N 2.77Å; V968-V971 PolarHBondContact O-N 2.7Å; V971-N973 VanDerWaalsContact C-N 3.33Å; V971-N973 PolarHBondContact O-N 2.88Å; V971-N974 PolarHBondContact O-N 3.04Å |
| 972 | C | 59.3 | Low | 57.2 | Low | 77 Ų | 77 | 116.6 Ų | 116.6 | 52% | 0.52 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.4 | -33.2 | -178.5 | -70.1 | 0 | 0 | 0 | 0 | 113.6 | V968 | V968-C972 WeakPolarHBondContact O-CB 3.14Å; V968-C972 PolarHBondContact O-N 3.11Å; V968-C972 PolarHBondContact O-SG 3.33Å; V968-C972 VanDerWaalsContact O-SG 3.39Å |
| 973 | N | 58.1 | Low | 57.4 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 66% | 0.658 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -9.9 | 178.6 | -74.9 | -75.5 | 0 | 0 | 0 | 114.5 | D969 V971 | D969-N973 VanDerWaalsContact O-CB 3.31Å; D969-N973 WeakPolarHBondContact O-CB 3.29Å; D969-N973 PolarHBondContact O-N 2.86Å; D969-N973 PolarHBondContact O-ND2 3.29Å; V971-N973 VanDerWaalsContact C-N 3.33Å; V971-N973 PolarHBondContact O-N 2.88Å |
| 974 | N | 53.2 | Low | 57.6 | Low | 70 Ų | 70 | 121.6 Ų | 121.6 | 37% | 0.374 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -8.7 | 177.7 | -91.5 | -46.7 | 0 | 0 | 0 | 114.1 | Y970 V971 Q976 | Y970-N974 WeakPolarHBondContact CE1-ND2 3.47Å; Y970-N974 VanDerWaalsContact CZ-ND2 3.26Å; Y970-N974 PolarHBondContact O-ND2 3.39Å; V971-N974 PolarHBondContact O-N 3.04Å; N974-Q976 PolarHBondContact O-N 2.75Å |
| 975 | E | 48.3 | Very low | 57.6 | Low | 180 Ų | 180 | 123.9 Ų | 123.9 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 20 | -175.5 | -146.4 | -179 | -164.9 | 0 | 0 | 114.5 | | |
| 976 | Q | 45.6 | Very low | 57.9 | Low | 182 Ų | 182 | 127.3 Ų | 127.3 | 85% | 0.85 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 28.6 | -175.3 | -60.3 | -170.5 | 20.6 | 0 | 0 | 114.5 | N974 | N974-Q976 PolarHBondContact O-N 2.75Š|
| 977 | L | 40.2 | Very low | 57.7 | Low | 223 Ų | 223 | 127.5 Ų | 127.5 | 100% | 1.168 | 66% | 0.657 | S | S | * | * | | | trans | -122.4 | 0 | 175.9 | -84.2 | 169.4 | 0 | 0 | 0 | 113.3 | | |