| 1 | M | 36.1 | Very low | 41 | Very low | 234 Ų | 234 | 166.6 Ų | 166.6 | 100% | 1.153 | 80% | 0.799 | S | S | * | * | | | | 0 | 164.9 | 0 | -79.7 | -53.3 | 179.7 | 0 | 0 | 109.3 | | |
| 2 | P | 49 | Very low | 40.9 | Very low | 115 Ų | 115 | 165.2 Ų | 165.2 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | | | trans | -77.2 | 145 | -144.6 | 30.2 | -35.8 | 0 | 0 | 0 | 114 | | |
| 3 | S | 39.9 | Very low | 40.7 | Very low | 98 Ų | 98 | 166.8 Ų | 166.8 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | cis | 88.2 | 128.8 | 13.5 | -160.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 4 | K | 43.9 | Very low | 40.6 | Very low | 166 Ų | 166 | 166.8 Ų | 166.8 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 82.5 | 135 | 172.8 | -62.3 | 160.6 | -170.8 | 172.4 | 0 | 115 | | |
| 5 | R | 40.5 | Very low | 40.6 | Very low | 214 Ų | 214 | 164.7 Ų | 164.7 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | cis | -154.2 | 132.4 | 6.7 | -112.6 | 155 | -174.8 | 162.9 | -4 | 113.1 | | |
| 6 | N | 42.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 163.9 Ų | 163.9 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | | | trans | 30.5 | 127.1 | 133.9 | -64 | 75.1 | 0 | 0 | 0 | 122.9 | | |
| 7 | D | 40.7 | Very low | 40.2 | Very low | 137 Ų | 137 | 160.3 Ų | 160.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | | 58.4 | 150.5 | 126.4 | -43.1 | -39.1 | 0 | 0 | 0 | 120.1 | | |
| 8 | I | 41.1 | Very low | 39.9 | Very low | 148 Ų | 148 | 158.4 Ų | 158.4 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | cis | -139.8 | 148.7 | 26.5 | -66.9 | 166.2 | 0 | 0 | 0 | 110.4 | | |
| 9 | R | 37.9 | Very low | 40 | Very low | 238 Ų | 238 | 162.8 Ų | 162.8 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -88.6 | 137.2 | 168.5 | -80.2 | -174.6 | -83.9 | -176.5 | -6.2 | 111.8 | | |
| 10 | Y | 41.1 | Very low | 40.1 | Very low | 210 Ų | 210 | 161.1 Ų | 161.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -119.3 | 110.2 | 165 | -109.5 | -88.1 | 0 | 0 | 0 | 109.4 | | |
| 11 | N | 38.4 | Very low | 40.1 | Very low | 148 Ų | 148 | 158.5 Ų | 158.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -115.6 | 158.1 | 160.5 | -91.4 | -5.3 | 0 | 0 | 0 | 107.7 | | |
| 12 | D | 39.6 | Very low | 40.3 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | 97.2 | 85.3 | 178.9 | -62.3 | -12.4 | 0 | 0 | 0 | 116.9 | | |
| 13 | F | 39.1 | Very low | 40.2 | Very low | 187 Ų | 187 | 160.5 Ų | 160.5 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | | | trans | -142.6 | 89.3 | 146.1 | -98.4 | -69.2 | 0 | 0 | 0 | 111.3 | L15 | F13-L15 HydrophobicContact CD1-CD1 3.89Å; F13-L15 HydrophobicContact CD1-CG 4.39Å; F13-L15 PolarHBondContact O-N 3.4Å |
| 14 | N | 39.1 | Very low | 40.2 | Very low | 166 Ų | 166 | 164.8 Ų | 164.8 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | | | trans | -86.9 | 103.7 | 174.3 | -169.9 | -4 | 0 | 0 | 0 | 109.3 | | |
| 15 | L | 39.9 | Very low | 40.4 | Very low | 136 Ų | 136 | 163 Ų | 163 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | -129.8 | 102.2 | -172.1 | -89.6 | 169.7 | 0 | 0 | 0 | 114.2 | F13 | F13-L15 HydrophobicContact CD1-CD1 3.89Å; F13-L15 HydrophobicContact CD1-CG 4.39Å; F13-L15 PolarHBondContact O-N 3.4Å |
| 16 | N | 36.3 | Very low | 40.8 | Very low | 152 Ų | 152 | 158.5 Ų | 158.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -151.3 | 154.5 | 158.6 | -102.1 | -55.9 | 0 | 0 | 0 | 107.5 | | |
| 17 | P | 37.7 | Very low | 40.8 | Very low | 102 Ų | 102 | 160.2 Ų | 160.2 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | | | cis | -133.9 | 125.2 | 0.5 | 35.6 | -16.1 | 0 | 0 | 0 | 114.7 | R19 | P17-R19 PolarHBondContact O-N 2.86Š|
| 18 | C | 35.6 | Very low | 40.7 | Very low | 126 Ų | 126 | 159 Ų | 159 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -77.8 | 88.1 | 176.1 | -83.9 | 0 | 0 | 0 | 0 | 113.8 | I20 | C18-I20 PolarHBondContact O-N 2.92Š|
| 19 | R | 41.7 | Very low | 40.7 | Very low | 243 Ų | 243 | 155.9 Ų | 155.9 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -69.4 | 89.2 | 165.3 | -82.2 | -177.7 | 169.2 | 166.2 | -2.5 | 111.3 | P17 S21 | P17-R19 PolarHBondContact O-N 2.86Å; R19-S21 PolarHBondContact O-N 3.42Å; R19-S21 VanDerWaalsContact O-N 3.08Å |
| 20 | I | 42.2 | Very low | 40.9 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | | | trans | -76.9 | 95 | 176.4 | -61.6 | 177.3 | 0 | 0 | 0 | 110.5 | C18 R22 | C18-I20 PolarHBondContact O-N 2.92Å; I20-R22 HydrophobicContact CG2-CG 3.82Å |
| 21 | S | 39.4 | Very low | 40.9 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -100.6 | 96.7 | 169.2 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | R19 K23 | R19-S21 PolarHBondContact O-N 3.42Å; R19-S21 VanDerWaalsContact O-N 3.08Å; S21-K23 PolarHBondContact O-N 2.84Å |
| 22 | R | 39.9 | Very low | 40.9 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -85.6 | 97 | 176.9 | -60.4 | -174.2 | -164.4 | 176.7 | 5.5 | 110.7 | I20 | I20-R22 HydrophobicContact CG2-CG 3.82Š|
| 23 | K | 47.3 | Very low | 41.1 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -93.1 | 115 | 157.2 | -75.3 | -167.3 | 175.2 | -174.3 | 0 | 109.1 | S21 | S21-K23 PolarHBondContact O-N 2.84Š|
| 24 | F | 39.8 | Very low | 41.2 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -78.8 | 133.6 | 168.2 | -84.4 | -92.4 | 0 | 0 | 0 | 109.9 | | |
| 25 | V | 49.3 | Very low | 41.3 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -127.4 | 118 | 168.7 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 26 | P | 48 | Very low | 41.4 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 133.4 | 174.3 | -17.7 | 32.2 | 0 | 0 | 0 | 111.1 | | |
| 27 | N | 42.9 | Very low | 41.7 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 127.9 | -178.9 | -168.1 | 27.6 | 0 | 0 | 0 | 111.6 | | |
| 28 | P | 39.3 | Very low | 41.9 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 147.6 | 178.4 | 34.9 | -33.3 | 0 | 0 | 0 | 113.4 | | |
| 29 | G | 40.2 | Very low | 41.9 | Very low | 82 Ų | 82 | 153.5 Ų | 153.5 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 108.3 | 92.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 30 | S | 41.4 | Very low | 42 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -173.4 | 134.9 | 151.4 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 31 | L | 41.3 | Very low | 42 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | cis | -168.1 | 163.5 | -28.6 | -113.4 | 159.4 | 0 | 0 | 0 | 104.3 | | |
| 32 | K | 38.9 | Very low | 42.2 | Very low | 199 Ų | 199 | 154 Ų | 154 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -108 | 135.2 | -165.4 | -60.2 | 175.1 | -175.9 | 170.9 | 0 | 113.8 | | |
| 33 | T | 43.4 | Very low | 42 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -144.4 | 132.5 | 148.6 | 49.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 34 | T | 41 | Very low | 41.7 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | cis | 61.8 | 131 | 47.3 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 35 | K | 41.7 | Very low | 41.7 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | cis | -160.1 | 169.5 | 28.3 | -149.8 | 171.6 | -175.3 | 175.8 | 0 | 111.3 | | |
| 36 | K | 43.1 | Very low | 41.1 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 65% | 0.648 | 78% | 0.784 | S | S | * | * | | | trans | -14.5 | 142 | 169.9 | -57.6 | 174.3 | 174.9 | 178.5 | 0 | 118.2 | | |
| 37 | D | 41.7 | Very low | 40.8 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | | -169.9 | -177.2 | 83 | -96.4 | -22.4 | 0 | 0 | 0 | 112 | | |
| 38 | R | 41.4 | Very low | 40.4 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | | -174.6 | 125.2 | -58.2 | -121.9 | -174.3 | 168.8 | -178.5 | -6.5 | 108.4 | | |
| 39 | H | 36.6 | Very low | 40.5 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | 61.9 | 167 | 176.1 | -61.2 | -96.6 | 0 | 0 | 0 | 113.7 | | |
| 40 | I | 42.4 | Very low | 40.3 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | | | cis | -131.5 | 157.8 | 19.2 | -65.8 | 165.7 | 0 | 0 | 0 | 111.3 | | |
| 41 | R | 42.6 | Very low | 40.1 | Very low | 215 Ų | 215 | 150.2 Ų | 150.2 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -123.3 | 136.3 | 170.2 | -108.3 | -168.3 | -177 | -174.5 | 2.5 | 110.9 | | |
| 42 | P | 44.2 | Very low | 39.9 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | trans | -117.4 | 149 | 141.9 | 35.3 | -26.7 | 0 | 0 | 0 | 110.1 | | |
| 43 | I | 35.6 | Very low | 39.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | cis | 82.4 | 81.4 | 8.4 | -42 | -179.2 | 0 | 0 | 0 | 116.8 | | |
| 44 | S | 40.1 | Very low | 39.4 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | trans | -175.8 | 153.5 | 150.6 | 50.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 45 | S | 40.5 | Very low | 39.2 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | | | cis | -143.3 | 139.5 | -4.8 | 42.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 46 | A | 36.1 | Very low | 38.7 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | | | | 39.9 | 130.8 | 103.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 47 | K | 42.2 | Very low | 38.3 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | | | cis | -142.4 | 148.1 | 34.5 | -66.5 | 169.6 | -177.6 | 173 | 0 | 110.7 | | |
| 48 | S | 35.3 | Very low | 37.8 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | | | | 56.8 | 131.8 | 81.6 | 119.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 49 | K | 41.3 | Very low | 37.3 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | cis | -162.4 | 154.5 | 34.3 | -125.3 | 172 | -175.7 | -176.5 | 0 | 113.6 | | |
| 50 | N | 35.8 | Very low | 37 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | | | trans | 38.9 | 126.5 | 135.8 | -72.3 | 32.8 | 0 | 0 | 0 | 121.5 | | |
| 51 | I | 37.4 | Very low | 36.8 | Very low | 160 Ų | 160 | 133 Ų | 133 | 82% | 0.821 | 73% | 0.734 | S | S | * | * | | | | 92.7 | 139 | 64.1 | -76.3 | 168.6 | 0 | 0 | 0 | 112.6 | | |
| 52 | G | 37.3 | Very low | 36.4 | Very low | 58 Ų | 58 | 129.1 Ų | 129.1 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | | | trans | 118.3 | 115.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 53 | S | 34.9 | Very low | 36.2 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | cis | 59.9 | 131.9 | 28.9 | 103.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 54 | D | 37.2 | Very low | 36 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | | | cis | -153.1 | 167.1 | 27.8 | -107.6 | -63.8 | 0 | 0 | 0 | 114.3 | | |
| 55 | Q | 35.1 | Very low | 35.6 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | | | trans | 64.3 | 132.5 | 148.7 | -72 | 166.3 | 68 | 0 | 0 | 119.2 | | |
| 56 | I | 32.2 | Very low | 35.2 | Very low | 143 Ų | 143 | 131 Ų | 131 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | cis | 103.6 | 153.9 | 42.8 | -82 | 174.8 | 0 | 0 | 0 | 111.7 | | |
| 57 | L | 35.1 | Very low | 35.1 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | | | trans | 68.4 | 101.9 | -175.9 | -99.7 | 54 | 0 | 0 | 0 | 113.8 | | |
| 58 | T | 30.4 | Very low | 34.8 | Very low | 111 Ų | 111 | 128 Ų | 128 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | | | | 70.9 | 141.2 | 50.7 | 79 | 0 | 0 | 0 | 0 | 115.1 | | |
| 59 | T | 30.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | | | trans | 66.8 | 154.3 | 161.4 | 20.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 60 | D | 31.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | | | cis | -161.6 | 165.9 | -7.7 | -163.9 | 4.5 | 0 | 0 | 0 | 109.3 | | |
| 61 | K | 38.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 73% | 0.726 | 71% | 0.705 | S | S | * | * | | | trans | 63.5 | 137.6 | 163.7 | -27.1 | -170.1 | 179.8 | -177.9 | 0 | 116.9 | | |
| 62 | V | 33.8 | Very low | 34.2 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | | | cis | 68 | 133 | 30.2 | -170.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 63 | P | 40.8 | Very low | 34.1 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | | | cis | -123.5 | -127.5 | -24 | 38.9 | -20.8 | 0 | 0 | 0 | 110.8 | | |
| 64 | V | 31 | Very low | 34.1 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | | | trans | 77.8 | 108.6 | 171.1 | -175.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 65 | V | 31.2 | Very low | 34.1 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | | | | 90.2 | 149.4 | 50.6 | 168.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 66 | K | 33.1 | Very low | 34.1 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | | | trans | 81.2 | 111.7 | -173 | -75 | 157.4 | -178.4 | 175.1 | 0 | 113.7 | | |
| 67 | D | 33.3 | Very low | 34.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 60% | 0.599 | 69% | 0.691 | S | S | * | * | | | | 62.5 | 117.7 | 70.3 | -59.9 | -53.8 | 0 | 0 | 0 | 109.6 | | |
| 68 | N | 35.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 134 Ų | 134 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | | | | -158.6 | 149.1 | 72 | -94.7 | -80.8 | 0 | 0 | 0 | 109.8 | | |
| 69 | R | 33.4 | Very low | 34.9 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | | 45.8 | 131.4 | 87.3 | -50.1 | -174.5 | -150.9 | 146.8 | 6.5 | 112.1 | | |
| 70 | N | 33.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | | | cis | -167.3 | -168.2 | 13.3 | -125.6 | 9 | 0 | 0 | 0 | 109.5 | | |
| 71 | S | 34.1 | Very low | 35.4 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | | | trans | 45.6 | 132.2 | 138.8 | -89.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 72 | E | 36 | Very low | 35.3 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 55% | 0.551 | 69% | 0.694 | S | S | * | * | | | cis | 170.8 | 172.6 | 9.3 | -129.7 | 179.6 | 132.9 | 0 | 0 | 108.1 | | |
| 73 | R | 35.1 | Very low | 35.6 | Very low | 178 Ų | 178 | 128.7 Ų | 128.7 | 67% | 0.672 | 69% | 0.69 | S | S | * | * | | | trans | 66.6 | 157.7 | 147.2 | -69.1 | 165.4 | -170.6 | 170.1 | 17.5 | 115.9 | | |
| 74 | K | 36.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | | | cis | -155.3 | 141.7 | -6.6 | -127 | 165.3 | -173.6 | -178.2 | 0 | 112.1 | | |
| 75 | T | 35.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | | | trans | 43 | 112.3 | 138.5 | 55.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 76 | S | 35.4 | Very low | 36 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | | | | 101.6 | 176.8 | 86.5 | 79.9 | 0 | 0 | 0 | 0 | 113 | | |
| 77 | R | 40.5 | Very low | 36.3 | Very low | 203 Ų | 203 | 124.6 Ų | 124.6 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | | | cis | -160.9 | 136.2 | 15 | -135.7 | 158.4 | -162.2 | 170.4 | 2.5 | 110 | | |
| 78 | N | 36.2 | Very low | 36.6 | Very low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | | | trans | 58.2 | 175.5 | 151.9 | -51.5 | 1.7 | 0 | 0 | 0 | 116.7 | | |
| 79 | S | 37.6 | Very low | 36.8 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | | | cis | -151.4 | 157.3 | 6.2 | -33 | 0 | 0 | 0 | 0 | 111.4 | | |
| 80 | V | 38.4 | Very low | 37.1 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | | | trans | 53.7 | 106.7 | 141.8 | 174.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 81 | A | 33.8 | Very low | 37.1 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | | | | 59.8 | 145 | 77.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 82 | S | 37 | Very low | 37.4 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | | | cis | -162.8 | 175.2 | 18.3 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 83 | N | 38.6 | Very low | 37.5 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | 69.6 | 141 | 143.7 | -69.3 | -19.8 | 0 | 0 | 0 | 122.6 | | |
| 84 | L | 38.9 | Very low | 37.5 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | | | trans | 42.5 | 132 | 141.4 | -68 | 150 | 0 | 0 | 0 | 119.8 | | |
| 85 | G | 36.2 | Very low | 37.5 | Very low | 57 Ų | 57 | 129.8 Ų | 129.8 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | | | cis | 146.2 | 156 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 86 | S | 37.4 | Very low | 37.7 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | trans | 66.6 | 164.8 | 176.7 | 90.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 87 | S | 38.4 | Very low | 37.7 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | cis | -170.7 | 173.7 | -34.6 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 88 | L | 41 | Very low | 37.5 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | 67.2 | 165.7 | 162.1 | -57.8 | 167.5 | 0 | 0 | 0 | 115.9 | | |
| 89 | K | 39.1 | Very low | 37.4 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | cis | -163.2 | 175.8 | -47.3 | -115.8 | -176.1 | -159.3 | 165.2 | 0 | 107.6 | | |
| 90 | S | 38.9 | Very low | 37.4 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | 71.8 | 152.4 | 165 | 74.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 91 | R | 34.7 | Very low | 37.1 | Very low | 223 Ų | 223 | 135.5 Ų | 135.5 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | cis | 134.6 | 92.4 | -16.7 | -179.8 | -148.7 | -160.7 | -148.7 | 7.4 | 112.1 | | |
| 92 | V | 40.6 | Very low | 37 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -148.6 | 122.5 | 155.4 | -152.8 | 0 | 0 | 0 | 0 | 103.6 | | |
| 93 | M | 36.1 | Very low | 36.9 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | | 52.5 | 133 | 72.6 | -55.1 | -177 | 72.4 | 0 | 0 | 111.4 | | |
| 94 | S | 37 | Very low | 36.6 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | cis | -150.5 | 165.9 | 29.2 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 95 | D | 36.3 | Very low | 36.3 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -78.7 | 144.3 | 163.7 | -164.5 | -20.5 | 0 | 0 | 0 | 109.4 | K97 | D95-K97 PolarHBondContact OD1-N 2.73Š|
| 96 | P | 40.1 | Very low | 36.1 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | | -147.1 | 131.4 | 109.7 | 35.9 | -19.3 | 0 | 0 | 0 | 116.4 | | |
| 97 | K | 34.2 | Very low | 35.8 | Very low | 190 Ų | 190 | 146.7 Ų | 146.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | 10.3 | 112.7 | 142.6 | -61.8 | 178.2 | -178.1 | 176.4 | 0 | 117.5 | D95 | D95-K97 PolarHBondContact OD1-N 2.73Š|
| 98 | L | 36 | Very low | 35.5 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | | | trans | -163.6 | 138.1 | 143.7 | -106.7 | 158.2 | 0 | 0 | 0 | 111.2 | | |
| 99 | K | 35.7 | Very low | 35.1 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | | | trans | -75.2 | 151.3 | 167.6 | -78.7 | -177.4 | 177.4 | -179.1 | 0 | 108.7 | | |
| 100 | P | 36.9 | Very low | 35 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | | -157 | -171.7 | 60.5 | 42.9 | -21.1 | 0 | 0 | 0 | 118.7 | | |
| 101 | S | 31.7 | Very low | 34.7 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | 69 | 130.2 | 151.8 | 57.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 102 | D | 32.5 | Very low | 34.7 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | -54.8 | 141.3 | 160.2 | -62.3 | -84.1 | 0 | 0 | 0 | 112.9 | | |
| 103 | T | 35.3 | Very low | 34.4 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | | -165.5 | 150 | 121.2 | 4.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 104 | S | 32 | Very low | 34.6 | Very low | 95 Ų | 95 | 147.2 Ų | 147.2 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | | | trans | 56.8 | 118.1 | 151.8 | 56.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 105 | D | 32.9 | Very low | 34.9 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | | 52.3 | 100.9 | 127.6 | -56.3 | -25.9 | 0 | 0 | 0 | 120.5 | | |
| 106 | S | 31.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -132.4 | 128.9 | 146.9 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 107 | R | 30.8 | Very low | 36.2 | Very low | 240 Ų | 240 | 162.7 Ų | 162.7 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | | | trans | -79.4 | 117.8 | -177 | -56.1 | 158.6 | 171.8 | 175.6 | -4.1 | 110.1 | | |
| 108 | L | 33 | Very low | 37.3 | Very low | 150 Ų | 150 | 157.4 Ų | 157.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -135.1 | 108.7 | 163.3 | -78.3 | -179.8 | 0 | 0 | 0 | 113.7 | | |
| 109 | T | 33.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 45.3 | 133.3 | 137.3 | 54 | 0 | 0 | 0 | 0 | 121.9 | | |
| 110 | L | 35.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | | | trans | -58.8 | 136.8 | 173.8 | -68.3 | 66.7 | 0 | 0 | 0 | 113.3 | | |
| 111 | S | 33 | Very low | 41.2 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | -153.8 | 166 | 150 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 112 | E | 35.5 | Very low | 42.7 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | | | trans | 54.7 | 63.4 | 167.8 | -73.3 | -97.2 | 132.8 | 0 | 0 | 117.3 | K114 | E112-K114 PolarHBondContact O-N 2.93Å; E112-K114 IonicContact OE1-NZ 3.35Å; E112-K114 PolarHBondContact OE1-NZ 3.21Å; E112-K114 WeakPolarHBondContact OE2-CD 3.25Å; E112-K114 WeakPolarHBondContact OE2-CE 2.93Å; E112-K114 IonicContact OE2-NZ 3.98Å; E112-K114 PolarHBondContact OE2-NZ 3.13Å |
| 113 | Q | 33.1 | Very low | 44.4 | Very low | 202 Ų | 202 | 142.4 Ų | 142.4 | 94% | 0.944 | 72% | 0.723 | S | S | * | * | | | trans | -72.1 | 51.3 | 165.1 | -160.6 | -178 | 2.9 | 0 | 0 | 112.6 | R115 | Q113-R115 PolarHBondContact O-N 2.94Å; Q113-R115 VanDerWaalsContact O-N 3.14Å |
| 114 | K | 41.9 | Very low | 45.9 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | | | trans | -66.6 | 112.1 | 172.7 | -91.3 | -176.8 | -177.6 | 112 | 0 | 109.4 | E112 K116 | E112-K114 PolarHBondContact O-N 2.93Å; E112-K114 IonicContact OE1-NZ 3.35Å; E112-K114 PolarHBondContact OE1-NZ 3.21Å; E112-K114 WeakPolarHBondContact OE2-CD 3.25Å; E112-K114 WeakPolarHBondContact OE2-CE 2.93Å; E112-K114 IonicContact OE2-NZ 3.98Å; E112-K114 PolarHBondContact OE2-NZ 3.13Å; K114-K116 VanDerWaalsContact C-N 3.3Å; K114-K116 PolarHBondContact O-N 3Å |
| 115 | R | 42.7 | Very low | 47.7 | Very low | 246 Ų | 246 | 138.3 Ų | 138.3 | 93% | 0.928 | 69% | 0.687 | S | S | * | * | | | trans | -63.5 | 82 | 179.7 | -172.5 | 179.4 | -173.9 | 168 | 2.2 | 111 | Q113 R117 | Q113-R115 PolarHBondContact O-N 2.94Å; Q113-R115 VanDerWaalsContact O-N 3.14Å; R115-R117 PolarHBondContact O-N 3.5Å; R115-R117 VanDerWaalsContact O-N 3.12Å |
| 116 | K | 53.3 | Low | 49.5 | Very low | 200 Ų | 200 | 138.1 Ų | 138.1 | 87% | 0.87 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 121.1 | 176.4 | -77.7 | -167.4 | 175.5 | -173.6 | 0 | 109.2 | K114 S118 | K114-K116 VanDerWaalsContact C-N 3.3Å; K114-K116 PolarHBondContact O-N 3Å; K116-S118 PolarHBondContact O-N 2.99Å |
| 117 | R | 50.6 | Low | 51.3 | Low | 240 Ų | 240 | 140.9 Ų | 140.9 | 91% | 0.906 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130.5 | 163.9 | -72.8 | 177.9 | 173.4 | 166.6 | -2 | 106.4 | R115 G119 | R115-R117 PolarHBondContact O-N 3.5Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R117-G119 PolarHBondContact O-N 2.86Å |
| 118 | S | 57.3 | Low | 53 | Low | 79 Ų | 79 | 134.8 Ų | 134.8 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 123.4 | 168.2 | 51.3 | 0 | 0 | 0 | 0 | 108 | K116 | K116-S118 PolarHBondContact O-N 2.99Š|
| 119 | G | 58.2 | Low | 54.5 | Low | 25 Ų | 25 | 135.5 Ų | 135.5 | 26% | 0.258 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 162.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R117 E121 N122 Y123 | R117-G119 PolarHBondContact O-N 2.86Å; G119-E121 PolarHBondContact O-N 3.08Å; G119-N122 PolarHBondContact O-N 3.27Å; G119-Y123 PolarHBondContact O-N 3.01Å; G119-Y123 VanDerWaalsContact O-N 3.12Å |
| 120 | A | 65 | Low | 55.2 | Low | 74 Ų | 74 | 137 Ų | 137 | 61% | 0.612 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -53.8 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N122 Y123 I124 | A120-N122 VanDerWaalsContact C-N 3.33Å; A120-N122 PolarHBondContact O-N 3.49Å; A120-Y123 WeakPolarHBondContact O-CB 3.47Å; A120-Y123 PolarHBondContact O-N 2.94Å; A120-Y123 VanDerWaalsContact O-N 3.15Å; A120-I124 WeakPolarHBondContact O-CB 3.38Å; A120-I124 VanDerWaalsContact O-CG1 3.23Å; A120-I124 WeakPolarHBondContact O-CG1 3.28Å; A120-I124 PolarHBondContact O-N 3.12Å |
| 121 | E | 66.9 | Low | 56.1 | Low | 138 Ų | 138 | 135.9 Ų | 135.9 | 65% | 0.645 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -41.1 | -51.3 | 165.5 | 68.9 | -149 | 168.1 | 0 | 0 | 114.1 | G119 Y123 I124 N125 | G119-E121 PolarHBondContact O-N 3.08Å; E121-Y123 PolarHBondContact O-N 3.2Å; E121-I124 PolarHBondContact O-N 3.12Å; E121-N125 WeakPolarHBondContact O-CB 3.46Å; E121-N125 PolarHBondContact O-N 3.08Å; E121-N125 PolarHBondContact O-OD1 3.33Å; E121-N125 VanDerWaalsContact O-OD1 3.1Å |
| 122 | N | 63.8 | Low | 57 | Low | 66 Ų | 66 | 134.6 Ų | 134.6 | 35% | 0.353 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -81.6 | -20.4 | -172.5 | -160.1 | -78 | 0 | 0 | 0 | 111.3 | G119 A120 K126 | G119-N122 PolarHBondContact O-N 3.27Å; A120-N122 VanDerWaalsContact C-N 3.33Å; A120-N122 PolarHBondContact O-N 3.49Å; N122-K126 WeakPolarHBondContact O-CB 3.45Å; N122-K126 VanDerWaalsContact O-CD 3.32Å; N122-K126 WeakPolarHBondContact O-CD 3.45Å; N122-K126 VanDerWaalsContact O-CG 3.28Å; N122-K126 WeakPolarHBondContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact OD1-CE 3.49Å; N122-K126 PolarHBondContact OD1-NZ 3.37Å |
| 123 | Y | 67.2 | Low | 57.8 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 49% | 0.494 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -79.1 | -40.1 | 168.2 | -179.3 | -100 | 0 | 0 | 0 | 111.7 | G119 A120 E121 K126 R127 | G119-Y123 PolarHBondContact O-N 3.01Å; G119-Y123 VanDerWaalsContact O-N 3.12Å; A120-Y123 WeakPolarHBondContact O-CB 3.47Å; A120-Y123 PolarHBondContact O-N 2.94Å; A120-Y123 VanDerWaalsContact O-N 3.15Å; E121-Y123 PolarHBondContact O-N 3.2Å; Y123-K126 PolarHBondContact O-N 3.13Å; Y123-R127 PolarHBondContact O-N 2.94Å; Y123-R127 PolarHBondContact OH-NE 3.47Å; Y123-R127 PolarHBondContact OH-NH1 3.06Å |
| 124 | I | 67.7 | Low | 58.9 | Low | 72 Ų | 72 | 130.8 Ų | 130.8 | 37% | 0.369 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.1 | -54.5 | 176.8 | -71.8 | 164.5 | 0 | 0 | 0 | 109.6 | A120 E121 K126 R127 F128 | A120-I124 WeakPolarHBondContact O-CB 3.38Å; A120-I124 VanDerWaalsContact O-CG1 3.23Å; A120-I124 WeakPolarHBondContact O-CG1 3.28Å; A120-I124 PolarHBondContact O-N 3.12Å; E121-I124 PolarHBondContact O-N 3.12Å; I124-K126 PolarHBondContact O-N 3.16Å; I124-R127 PolarHBondContact O-N 3.02Å; I124-F128 HydrophobicContact CG2-CD2 4.03Å; I124-F128 PolarHBondContact O-N 3.07Å |
| 125 | N | 69.3 | Low | 59.3 | Low | 70 Ų | 70 | 128.5 Ų | 128.5 | 37% | 0.374 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -12.3 | 179.6 | -60.5 | 5.1 | 0 | 0 | 0 | 113.8 | E121 | E121-N125 WeakPolarHBondContact O-CB 3.46Å; E121-N125 PolarHBondContact O-N 3.08Å; E121-N125 PolarHBondContact O-OD1 3.33Å; E121-N125 VanDerWaalsContact O-OD1 3.1Å |
| 126 | K | 70.9 | Confident | 59.7 | Low | 162 Ų | 162 | 122.5 Ų | 122.5 | 70% | 0.704 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -8 | 174 | -76.4 | 178.3 | 179.4 | 155 | 0 | 114.3 | N122 Y123 I124 | N122-K126 WeakPolarHBondContact O-CB 3.45Å; N122-K126 VanDerWaalsContact O-CD 3.32Å; N122-K126 WeakPolarHBondContact O-CD 3.45Å; N122-K126 VanDerWaalsContact O-CG 3.28Å; N122-K126 WeakPolarHBondContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact OD1-CE 3.49Å; N122-K126 PolarHBondContact OD1-NZ 3.37Å; Y123-K126 PolarHBondContact O-N 3.13Å; I124-K126 PolarHBondContact O-N 3.16Å |
| 127 | R | 68.9 | Low | 59.7 | Low | 174 Ų | 174 | 121 Ų | 121 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -35.7 | 177 | -89.2 | -165.8 | 154.4 | -154.5 | -6.8 | 113.2 | Y123 I124 | Y123-R127 PolarHBondContact O-N 2.94Å; Y123-R127 PolarHBondContact OH-NE 3.47Å; Y123-R127 PolarHBondContact OH-NH1 3.06Å; I124-R127 PolarHBondContact O-N 3.02Å |
| 128 | F | 65.9 | Low | 59.1 | Low | 112 Ų | 112 | 121.3 Ų | 121.3 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -108.5 | 115.8 | 174 | -54.6 | -82.9 | 0 | 0 | 0 | 105.9 | I124 Y130 | I124-F128 HydrophobicContact CG2-CD2 4.03Å; I124-F128 PolarHBondContact O-N 3.07Å; F128-Y130 HydrophobicContact CB-CD2 3.68Å; F128-Y130 HydrophobicContact CB-CE2 3.4Å; F128-Y130 VanDerWaalsContact CB-CE2 3.4Å; F128-Y130 HydrophobicContact CG-CE2 4.23Å; F128-Y130 PolarHBondContact O-N 3.08Å |
| 129 | L | 64.5 | Low | 58.3 | Low | 166 Ų | 166 | 125 Ų | 125 | 87% | 0.869 | 62% | 0.622 | S | S | * | * | | | trans | -77.8 | 67.9 | -174.9 | -169.1 | 74.4 | 0 | 0 | 0 | 109.7 | | |
| 130 | Y | 49.4 | Very low | 57.5 | Low | 155 Ų | 155 | 134.1 Ų | 134.1 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | | | trans | -84.1 | 129.9 | 167.6 | -64.3 | -64.2 | 0 | 0 | 0 | 108.4 | F128 V132 | F128-Y130 HydrophobicContact CB-CD2 3.68Å; F128-Y130 HydrophobicContact CB-CE2 3.4Å; F128-Y130 VanDerWaalsContact CB-CE2 3.4Å; F128-Y130 HydrophobicContact CG-CE2 4.23Å; F128-Y130 PolarHBondContact O-N 3.08Å; Y130-V132 PolarHBondContact O-N 3.4Å |
| 131 | D | 53.1 | Low | 56.1 | Low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | | | trans | -71.7 | 68.6 | 172.5 | -71.4 | -49.3 | 0 | 0 | 0 | 110.5 | V133 | D131-V133 VanDerWaalsContact C-N 3.3Å; D131-V133 PolarHBondContact O-N 3.06Å |
| 132 | V | 52.2 | Low | 55.1 | Low | 85 Ų | 85 | 142 Ų | 142 | 52% | 0.515 | 67% | 0.67 | S | S | . | * | | | trans | -70.7 | 92.8 | 170.5 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | Y130 E134 | Y130-V132 PolarHBondContact O-N 3.4Å; V132-E134 VanDerWaalsContact C-N 3.26Å; V132-E134 PolarHBondContact O-N 3.41Å |
| 133 | V | 52 | Low | 54 | Low | 127 Ų | 127 | 148.6 Ų | 148.6 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | | | trans | -61 | 89.4 | 170.8 | -178.3 | 0 | 0 | 0 | 0 | 108 | D131 P135 | D131-V133 VanDerWaalsContact C-N 3.3Å; D131-V133 PolarHBondContact O-N 3.06Å; V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.29Å; V133-P135 VanDerWaalsContact O-N 3.11Å |
| 134 | E | 56.2 | Low | 52.4 | Low | 130 Ų | 130 | 151.7 Ų | 151.7 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | | | trans | -62.1 | 114.3 | 179.8 | -169.8 | 180 | -178.9 | 0 | 0 | 108.3 | V132 K137 | V132-E134 VanDerWaalsContact C-N 3.26Å; V132-E134 PolarHBondContact O-N 3.41Å; E134-K137 IonicContact OE1-NZ 2.81Å; E134-K137 PolarHBondContact OE1-NZ 3.14Å |
| 135 | P | 50.9 | Low | 51.3 | Low | 99 Ų | 99 | 155 Ų | 155 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | trans | -62.6 | 131.9 | -171.1 | 23 | -32.9 | 0 | 0 | 0 | 109.7 | V133 K137 | V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.29Å; V133-P135 VanDerWaalsContact O-N 3.11Å; P135-K137 PolarHBondContact O-N 3.24Å |
| 136 | P | 50.7 | Low | 49.8 | Very low | 119 Ų | 119 | 159 Ų | 159 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | -57.2 | 108.7 | -174.2 | -27.8 | 35.4 | 0 | 0 | 0 | 112 | R138 | P136-R138 PolarHBondContact O-N 3.05Š|
| 137 | K | 52.3 | Low | 48.4 | Very low | 168 Ų | 168 | 159.9 Ų | 159.9 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | trans | -57.8 | 108.1 | 177.3 | -75.1 | 164.6 | 177.2 | 152.3 | 0 | 108.6 | E134 P135 N139 | E134-K137 IonicContact OE1-NZ 2.81Å; E134-K137 PolarHBondContact OE1-NZ 3.14Å; P135-K137 PolarHBondContact O-N 3.24Å; K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.06Å |
| 138 | R | 39 | Very low | 46.9 | Very low | 247 Ų | 247 | 156.5 Ų | 156.5 | 93% | 0.932 | 75% | 0.748 | S | S | * | * | | | trans | -59.8 | 89.9 | -172.8 | -72.9 | 176.6 | 69.9 | 149 | -2.1 | 111 | P136 R140 | P136-R138 PolarHBondContact O-N 3.05Å; R138-R140 PolarHBondContact O-N 3.27Å |
| 139 | N | 41.2 | Very low | 45.6 | Very low | 158 Ų | 158 | 158 Ų | 158 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -66.8 | 128.8 | 171.6 | -165.3 | 5.1 | 0 | 0 | 0 | 108.8 | K137 Q141 | K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.06Å; N139-Q141 PolarHBondContact O-N 3.27Å |
| 140 | R | 40.3 | Very low | 44.5 | Very low | 216 Ų | 216 | 160.8 Ų | 160.8 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -69.1 | 128.2 | -175.5 | -84.1 | 179.6 | 165.3 | 178.3 | -6.1 | 110.1 | R138 | R138-R140 PolarHBondContact O-N 3.27Š|
| 141 | Q | 36.3 | Very low | 44 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 55.6 | 101.8 | 156.1 | -58.6 | 173.8 | -8.9 | 0 | 0 | 118 | N139 | N139-Q141 PolarHBondContact O-N 3.27Š|
| 142 | K | 45.4 | Very low | 43.7 | Very low | 206 Ų | 206 | 155.9 Ų | 155.9 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | | | | -162.7 | 114.1 | 126.7 | -107 | 148 | -170.4 | 172.3 | 0 | 112.6 | | |
| 143 | K | 41.3 | Very low | 43.4 | Very low | 204 Ų | 204 | 155.4 Ų | 155.4 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | | | trans | 27.6 | 119 | 163.4 | -58.4 | -165.8 | 176.3 | -170 | 0 | 118.6 | | |
| 144 | F | 32.7 | Very low | 43.1 | Very low | 191 Ų | 191 | 152 Ų | 152 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | | | trans | -52.7 | 139.7 | 167.4 | -71.2 | -103.1 | 0 | 0 | 0 | 112.2 | | |
| 145 | L | 44.9 | Very low | 42.6 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | trans | -141.7 | 114.5 | 155.6 | -168.4 | 62.7 | 0 | 0 | 0 | 107.3 | F147 | L145-F147 HydrophobicContact CD2-CE2 3.75Å; L145-F147 HydrophobicContact CD2-CZ 4.15Å; L145-F147 HydrophobicContact CG-CE2 4.07Å; L145-F147 PolarHBondContact O-N 2.97Å |
| 146 | H | 36.9 | Very low | 42.4 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | | | trans | -73.4 | 123.1 | -176.7 | -76 | -115.1 | 0 | 0 | 0 | 110.1 | | |
| 147 | F | 41.8 | Very low | 42.3 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | | | trans | -119.7 | 82.8 | 167.1 | -82 | -67.3 | 0 | 0 | 0 | 110.1 | L145 | L145-F147 HydrophobicContact CD2-CE2 3.75Å; L145-F147 HydrophobicContact CD2-CZ 4.15Å; L145-F147 HydrophobicContact CG-CE2 4.07Å; L145-F147 PolarHBondContact O-N 2.97Å |
| 148 | T | 37.6 | Very low | 41.9 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | | | trans | -65 | 151.6 | 163.1 | -2.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 149 | D | 38.2 | Very low | 42 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | trans | 58.3 | 53.4 | 150.8 | -47.2 | -32.8 | 0 | 0 | 0 | 119.1 | | |
| 150 | R | 41.9 | Very low | 41.8 | Very low | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | | | trans | -129.9 | 73.3 | 162.7 | -69.1 | -163.4 | 174.3 | -175.8 | -0.8 | 115.6 | | |
| 151 | S | 40 | Very low | 41.8 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | | | trans | 52.5 | 117.4 | 135.8 | -52.5 | 0 | 0 | 0 | 0 | 119.8 | A153 A154 | S151-A153 PolarHBondContact O-N 2.59Å; S151-A154 WeakPolarHBondContact O-CB 3.36Å; S151-A154 PolarHBondContact O-N 3.46Å |
| 152 | T | 45.8 | Very low | 42 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.3 | -26.7 | 176.8 | -33.1 | 0 | 0 | 0 | 0 | 115.6 | A154 L155 M156 | T152-A154 VanDerWaalsContact C-N 3.27Å; T152-A154 PolarHBondContact O-N 3.49Å; T152-L155 PolarHBondContact O-N 3.44Å; T152-M156 PolarHBondContact O-N 2.85Å |
| 153 | A | 45.1 | Very low | 41.6 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -59.9 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | S151 L155 M156 A157 | S151-A153 PolarHBondContact O-N 2.59Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 3.22Å; A153-M156 PolarHBondContact O-N 2.78Å; A153-A157 PolarHBondContact O-N 3.14Å |
| 154 | A | 46.9 | Very low | 41.8 | Very low | 56 Ų | 56 | 126 Ų | 126 | 46% | 0.463 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -66.6 | -35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S151 T152 A157 V158 | S151-A154 WeakPolarHBondContact O-CB 3.36Å; S151-A154 PolarHBondContact O-N 3.46Å; T152-A154 VanDerWaalsContact C-N 3.27Å; T152-A154 PolarHBondContact O-N 3.49Å; A154-A157 PolarHBondContact O-N 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.34Å; A154-V158 PolarHBondContact O-N 2.69Å |
| 155 | L | 45.7 | Very low | 42.3 | Very low | 127 Ų | 127 | 127 Ų | 127 | 67% | 0.665 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -68.8 | -38.7 | 177.5 | -61.1 | 174.5 | 0 | 0 | 0 | 111.5 | T152 A153 A157 V158 | T152-L155 PolarHBondContact O-N 3.44Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 3.22Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.47Å; L155-V158 PolarHBondContact O-N 3.26Å |
| 156 | M | 47.1 | Very low | 42 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 72% | 0.719 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -62.2 | -35.6 | 175.7 | -63.3 | -73.1 | -86.9 | 0 | 0 | 112.2 | T152 A153 | T152-M156 PolarHBondContact O-N 2.85Å; A153-M156 PolarHBondContact O-N 2.78Å |
| 157 | A | 47.2 | Very low | 42.1 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 52% | 0.521 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -74.9 | -22 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A153 A154 L155 S160 | A153-A157 PolarHBondContact O-N 3.14Å; A154-A157 PolarHBondContact O-N 3.3Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.47Å; A157-S160 PolarHBondContact O-OG 3.03Å |
| 158 | V | 45.2 | Very low | 42.1 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -82.2 | -26.6 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | A154 L155 S160 A161 | A154-V158 WeakPolarHBondContact O-CG2 3.34Å; A154-V158 PolarHBondContact O-N 2.69Å; L155-V158 PolarHBondContact O-N 3.26Å; V158-S160 PolarHBondContact O-N 3.34Å; V158-A161 PolarHBondContact O-N 3.39Å |
| 159 | S | 40.5 | Very low | 41.9 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -20 | 179.4 | -66.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 160 | S | 37.5 | Very low | 42.1 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -11.2 | 177.7 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | A157 V158 N162 | A157-S160 PolarHBondContact O-OG 3.03Å; V158-S160 PolarHBondContact O-N 3.34Å; S160-N162 PolarHBondContact O-N 3.19Å |
| 161 | A | 40.8 | Very low | 41.7 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -3.2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V158 | V158-A161 PolarHBondContact O-N 3.39Š|
| 162 | N | 39.7 | Very low | 41.4 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 0.1 | -172.7 | -107.6 | -33 | 0 | 0 | 0 | 115.6 | S160 L164 | S160-N162 PolarHBondContact O-N 3.19Å; N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.33Å |
| 163 | L | 37.9 | Very low | 41 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -88.5 | 52.4 | 174.5 | -74.4 | 99.2 | 0 | 0 | 0 | 113.2 | | |
| 164 | L | 43.6 | Very low | 40.5 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | | | trans | -159.1 | 75.7 | 173.6 | -111.4 | 169.6 | 0 | 0 | 0 | 113.4 | N162 | N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.33Å |
| 165 | K | 44.5 | Very low | 39.9 | Very low | 213 Ų | 213 | 132 Ų | 132 | 93% | 0.926 | 72% | 0.715 | S | S | * | * | | | trans | -161.3 | 75.5 | 167.2 | -111.2 | 150.3 | -169.9 | 169.9 | 0 | 113.8 | | |
| 166 | K | 38.9 | Very low | 39.5 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | | | trans | -136.5 | 159.7 | 162.6 | -82 | -167.2 | 174.4 | -177.8 | 0 | 110.3 | | |
| 167 | H | 39.1 | Very low | 39 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | | | trans | 60.3 | 94.7 | 173.8 | -68.8 | -82.9 | 0 | 0 | 0 | 118.1 | | |
| 168 | K | 41.3 | Very low | 38.7 | Very low | 217 Ų | 217 | 137.8 Ų | 137.8 | 94% | 0.943 | 74% | 0.739 | S | S | * | * | | | | -128.5 | 120.1 | 129.5 | -74.9 | -65.4 | -176 | 178.9 | 0 | 108.4 | | |
| 169 | S | 33.5 | Very low | 38.1 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | trans | -128.1 | 148 | 170.6 | 47.5 | 0 | 0 | 0 | 0 | 108 | | |
| 170 | K | 41.7 | Very low | 38.1 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | | | trans | -139.8 | 156.5 | 162.9 | -84.5 | -149.5 | 166.3 | -159.2 | 0 | 109.6 | | |
| 171 | H | 33.7 | Very low | 38.3 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -114.5 | 146 | -175.2 | -87.9 | -118.5 | 0 | 0 | 0 | 110.8 | | |
| 172 | S | 34.4 | Very low | 38.1 | Very low | 77 Ų | 77 | 153 Ų | 153 | 54% | 0.538 | 76% | 0.759 | S | S | . | * | | | trans | 175.7 | 137.9 | 149.7 | -170.5 | 0 | 0 | 0 | 0 | 107.4 | E415 | S172-E415 WeakPolarHBondContact CB-OE1 3.48Å; S172-E415 PolarHBondContact OG-OE1 3.46Å |
| 173 | V | 36.1 | Very low | 37.8 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | cis | 90.2 | 68.4 | -16.9 | -156.1 | 0 | 0 | 0 | 0 | 119 | E415 | V173-E415 PolarHBondContact N-OE1 3.37Š|
| 174 | S | 34.9 | Very low | 37.9 | Very low | 45 Ų | 45 | 153.1 Ų | 153.1 | 32% | 0.315 | 75% | 0.751 | S | S | . | * | | | trans | -153.9 | -170.9 | 136.7 | -167.4 | 0 | 0 | 0 | 0 | 111.3 | E416 | S174-E416 VanDerWaalsContact CB-CA 3.43Å; S174-E416 VanDerWaalsContact CB-O 3.22Å; S174-E416 WeakPolarHBondContact CB-O 3.42Å; S174-E416 PolarHBondContact OG-O 3.3Å |
| 175 | S | 34 | Very low | 37.8 | Very low | 94 Ų | 94 | 151 Ų | 151 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | | | | -151.1 | 155.7 | -111.1 | 62.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 176 | Q | 38.4 | Very low | 37.6 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | | | trans | -166.3 | 152.8 | 149.1 | -113 | 170.8 | 12.6 | 0 | 0 | 111.8 | | |
| 177 | I | 35.8 | Very low | 38 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | | | trans | -139.9 | 142.4 | -177.7 | -49.4 | 170.2 | 0 | 0 | 0 | 106.7 | | |
| 178 | P | 40.3 | Very low | 38.4 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | | -147.9 | 136 | 127.8 | 32.7 | -15.6 | 0 | 0 | 0 | 115 | | |
| 179 | R | 33.9 | Very low | 38.4 | Very low | 218 Ų | 218 | 143.6 Ų | 143.6 | 82% | 0.823 | 72% | 0.724 | S | S | * | * | | | trans | 66.1 | 134.7 | 150.9 | -48.6 | -82 | 170.1 | 87.4 | 6.3 | 115.9 | | |
| 180 | D | 40.4 | Very low | 38.8 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | | | cis | -144 | 161.3 | 0.1 | -91.1 | -42.1 | 0 | 0 | 0 | 111.7 | | |
| 181 | R | 40.7 | Very low | 38.5 | Very low | 215 Ų | 215 | 149.6 Ų | 149.6 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | trans | 27 | 136 | 148.5 | -58.6 | -170.5 | -176.9 | 178.5 | -0.8 | 120.6 | | |
| 182 | D | 36.8 | Very low | 38.9 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | | | cis | -161.5 | 161.6 | -2.6 | -111.9 | -32.2 | 0 | 0 | 0 | 113.1 | | |
| 183 | L | 34.8 | Very low | 39.1 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | 45.8 | 127.6 | 162.5 | -82.4 | 73.8 | 0 | 0 | 0 | 121.2 | | |
| 184 | F | 39.7 | Very low | 39.2 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | trans | 83.4 | 113.5 | 168.5 | -59.9 | -69.7 | 0 | 0 | 0 | 118.7 | R186 | F184-R186 PolarHBondContact O-N 3.2Š|
| 185 | P | 41.9 | Very low | 39.7 | Very low | 114 Ų | 114 | 160.5 Ų | 160.5 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | trans | -74.1 | 126 | -176 | 29.8 | -34.5 | 0 | 0 | 0 | 112.1 | V187 | P185-V187 PolarHBondContact O-N 3.02Š|
| 186 | R | 40.4 | Very low | 40.4 | Very low | 241 Ų | 241 | 165.3 Ų | 165.3 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -65.3 | 89 | 172.7 | -74.7 | -176 | 172.1 | -174.3 | -1.4 | 111.3 | F184 K188 | F184-R186 PolarHBondContact O-N 3.2Å; R186-K188 PolarHBondContact O-N 3.39Å |
| 187 | V | 46.2 | Very low | 40.9 | Very low | 116 Ų | 116 | 160.9 Ų | 160.9 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | trans | -53.3 | 109.1 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | P185 S189 | P185-V187 PolarHBondContact O-N 3.02Å; V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.39Å |
| 188 | K | 46.7 | Very low | 41.2 | Very low | 203 Ų | 203 | 162.7 Ų | 162.7 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -69.1 | 85.9 | -179.3 | -72.3 | -177.9 | 178.9 | 174.1 | 0 | 110.5 | R186 R190 | R186-K188 PolarHBondContact O-N 3.39Å; K188-R190 PolarHBondContact O-N 3.38Å; K188-R190 VanDerWaalsContact O-N 3.08Å |
| 189 | S | 41.3 | Very low | 41.4 | Very low | 66 Ų | 66 | 165.9 Ų | 165.9 | 46% | 0.462 | 78% | 0.777 | S | S | . | * | | | trans | -45.6 | 111 | 176.1 | 174 | 0 | 0 | 0 | 0 | 111.3 | V187 H191 R193 | V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.39Å; S189-H191 PolarHBondContact O-N 3.28Å; S189-R193 PolarHBondContact OG-O 3.47Å |
| 190 | R | 42.6 | Very low | 41.7 | Very low | 220 Ų | 220 | 163.1 Ų | 163.1 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -54.8 | 133.5 | 177.2 | -77 | -171.9 | 176.1 | -168.9 | 0.4 | 110.4 | K188 G192 R193 | K188-R190 PolarHBondContact O-N 3.38Å; K188-R190 VanDerWaalsContact O-N 3.08Å; R190-G192 PolarHBondContact O-N 2.9Å; R190-R193 PolarHBondContact O-N 3.23Å |
| 191 | H | 36.2 | Very low | 41.6 | Very low | 208 Ų | 208 | 167.1 Ų | 167.1 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.1 | 122.9 | 179.5 | -149.1 | 82.6 | 0 | 0 | 0 | 110.2 | S189 | S189-H191 PolarHBondContact O-N 3.28Š|
| 192 | G | 42 | Very low | 41.4 | Very low | 84 Ų | 84 | 161.6 Ų | 161.6 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95 | -5.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | R190 | R190-G192 PolarHBondContact O-N 2.9Š|
| 193 | R | 37.2 | Very low | 41.4 | Very low | 207 Ų | 207 | 160.4 Ų | 160.4 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -125.2 | 83.9 | 171.3 | -84.9 | -174.9 | 160.8 | -165.8 | -4.6 | 111.6 | S189 R190 L195 | S189-R193 PolarHBondContact OG-O 3.47Å; R190-R193 PolarHBondContact O-N 3.23Å; R193-L195 PolarHBondContact O-N 3.34Å |
| 194 | R | 39 | Very low | 41.6 | Very low | 229 Ų | 229 | 156.8 Ų | 156.8 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 122 | 162.6 | -78.8 | -175.1 | 73.2 | 169.8 | 2.7 | 108.1 | K196 | R194-K196 PolarHBondContact O-N 3.41Š|
| 195 | L | 45 | Very low | 41.5 | Very low | 129 Ų | 129 | 157.2 Ų | 157.2 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 132.2 | 163.7 | -66.6 | 166.4 | 0 | 0 | 0 | 107.9 | R193 P197 | R193-L195 PolarHBondContact O-N 3.34Å; L195-P197 WeakPolarHBondContact O-CD 3.39Å |
| 196 | K | 50 | Low | 41.4 | Very low | 196 Ų | 196 | 157.3 Ų | 157.3 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122 | 169.3 | -83.4 | -84.7 | -170.5 | 165.6 | 0 | 107 | R194 K198 | R194-K196 PolarHBondContact O-N 3.41Å; K196-K198 PolarHBondContact O-N 3.22Å |
| 197 | P | 48.1 | Very low | 41.5 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 131.8 | 162.9 | -19.5 | 32.6 | 0 | 0 | 0 | 107.6 | L195 H199 | L195-P197 WeakPolarHBondContact O-CD 3.39Å; P197-H199 PolarHBondContact O-N 3.25Å; P197-H199 VanDerWaalsContact O-N 3.12Å |
| 198 | K | 42.6 | Very low | 41.4 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | | | trans | -69.3 | 106.5 | 162.6 | -75.1 | -169 | 175.5 | -173 | 0 | 105.7 | K196 | K196-K198 PolarHBondContact O-N 3.22Š|
| 199 | H | 43.6 | Very low | 41.2 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | trans | -86.9 | 110 | 165.3 | -151.2 | -54.7 | 0 | 0 | 0 | 106.3 | P197 | P197-H199 PolarHBondContact O-N 3.25Å; P197-H199 VanDerWaalsContact O-N 3.12Å |
| 200 | E | 41.6 | Very low | 41.3 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -67.5 | 148.4 | 169.8 | -77.6 | 149.9 | -167.6 | 0 | 0 | 109.2 | | |
| 201 | Y | 36.5 | Very low | 41.2 | Very low | 211 Ų | 211 | 146.1 Ų | 146.1 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | | | trans | -97.8 | 143.1 | -175.5 | -104.6 | -107.5 | 0 | 0 | 0 | 109.7 | | |
| 202 | S | 37.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | -169.7 | 109.4 | 139.4 | -84.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 203 | P | 36.4 | Very low | 41.1 | Very low | 97 Ų | 97 | 146 Ų | 146 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | | | trans | -101.2 | 142.8 | 165.4 | 35.4 | -29.1 | 0 | 0 | 0 | 111.8 | | |
| 204 | S | 38.8 | Very low | 41.3 | Very low | 56 Ų | 56 | 141.6 Ų | 141.6 | 39% | 0.392 | 73% | 0.727 | S | S | . | * | | | trans | -156.6 | 120.5 | 166 | -60.7 | 0 | 0 | 0 | 0 | 105.9 | N692 | S204-N692 PolarHBondContact OG-N 3.4Š|
| 205 | Q | 38.1 | Very low | 41.4 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | cis | 69.6 | 94 | 48.2 | -75.5 | -158.4 | -46.8 | 0 | 0 | 115.7 | | |
| 206 | S | 39.8 | Very low | 41.1 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | | | trans | 177 | 149.5 | 154 | 52.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 207 | A | 43.4 | Very low | 40.5 | Very low | 71 Ų | 71 | 135 Ų | 135 | 59% | 0.587 | 72% | 0.718 | S | S | * | * | | | cis | -167.6 | -176.2 | -19.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 208 | D | 42.2 | Very low | 40.1 | Very low | 98 Ų | 98 | 135 Ų | 135 | 52% | 0.524 | 72% | 0.721 | S | S | . | * | | | trans | 68.1 | 124.8 | 175.6 | -22.1 | -39.2 | 0 | 0 | 0 | 114.1 | R698 | D208-R698 IonicContact OD2-CZ 3.53Å; D208-R698 IonicContact OD2-NH1 3.07Å; D208-R698 PolarHBondContact OD2-NH1 2.82Å; D208-R698 IonicContact OD2-NH2 3.39Å; D208-R698 PolarHBondContact OD2-NH2 2.87Å; D208-R698 VanDerWaalsContact OD2-NH2 3.07Å |
| 209 | E | 44.5 | Very low | 39.9 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | cis | 67.4 | 141.4 | 31.3 | -40.9 | -167.3 | 162 | 0 | 0 | 112.9 | | |
| 210 | H | 42.9 | Very low | 39.7 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 73% | 0.731 | 72% | 0.718 | S | S | * | * | | | cis | -137.9 | 158.7 | 15.1 | -61.7 | -90.7 | 0 | 0 | 0 | 113.5 | | |
| 211 | P | 39.5 | Very low | 39.7 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | | | trans | -86.7 | 154.4 | 152.4 | 36.4 | -31.9 | 0 | 0 | 0 | 111.9 | | |
| 212 | S | 38 | Very low | 40 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | | | trans | -146.8 | 128.1 | 170.6 | -122.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 213 | F | 38.7 | Very low | 40.1 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | | | | 64.1 | 139.3 | 97.7 | -83.7 | -119 | 0 | 0 | 0 | 113.7 | | |
| 214 | D | 41.5 | Very low | 40.1 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | | | cis | -153.9 | 177.8 | 12.4 | -146.3 | 9.9 | 0 | 0 | 0 | 107.4 | | |
| 215 | Q | 40.8 | Very low | 40.2 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | | | cis | -140 | 174.6 | 14.9 | -100.2 | -165 | 0.9 | 0 | 0 | 113.4 | | |
| 216 | P | 39.6 | Very low | 40.3 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | | | trans | -118.4 | -173.5 | -169.3 | 42.4 | -31.2 | 0 | 0 | 0 | 114.6 | | |
| 217 | L | 36.6 | Very low | 40.3 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | | 176.3 | 166.7 | 125.3 | -94.6 | 158.4 | 0 | 0 | 0 | 114.6 | | |
| 218 | S | 38.7 | Very low | 40.5 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | | | trans | 64.9 | 97.8 | 167.8 | -53.9 | 0 | 0 | 0 | 0 | 118 | | |
| 219 | T | 39.4 | Very low | 40.1 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | cis | 95.6 | 94.1 | 46.1 | 63.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 220 | D | 39.7 | Very low | 40 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | 174 | 157.7 | 133.6 | -102.9 | -0.9 | 0 | 0 | 0 | 110.2 | | |
| 221 | S | 42.3 | Very low | 39.8 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | | | cis | -159.1 | -172.7 | -32.4 | 63.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 222 | S | 42.5 | Very low | 39.7 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | 84.6 | 90.3 | 172.1 | 78 | 0 | 0 | 0 | 0 | 120.4 | | |
| 223 | W | 39.3 | Very low | 39.8 | Very low | 254 Ų | 254 | 147.4 Ų | 147.4 | 96% | 0.962 | 78% | 0.775 | S | S | * | * | | | trans | 63.9 | 127.7 | 133.5 | -57.3 | 105.8 | 0 | 0 | 0 | 123.2 | | |
| 224 | K | 35.8 | Very low | 39.7 | Very low | 192 Ų | 192 | 147.6 Ų | 147.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -110.9 | 175.3 | 179 | -59.2 | 176.5 | 179.8 | 176.9 | 0 | 111.1 | | |
| 225 | P | 40.7 | Very low | 39.4 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | | -131.2 | 134.9 | 119.6 | 5.2 | 16.4 | 0 | 0 | 0 | 116.8 | | |
| 226 | I | 39.6 | Very low | 39.2 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | | | trans | 64.8 | 92.6 | 133.3 | -56.8 | 170.9 | 0 | 0 | 0 | 117.2 | | |
| 227 | R | 40.8 | Very low | 39.4 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | | 72.2 | 116 | 79.6 | -71.6 | 176.6 | -177.1 | 178.4 | 2 | 116.1 | | |
| 228 | K | 47 | Very low | 39.4 | Very low | 215 Ų | 215 | 147.1 Ų | 147.1 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | | | | -150.3 | 134.6 | 121.9 | -75.7 | -158.4 | 179.2 | 177.3 | 0 | 109.2 | | |
| 229 | N | 34.2 | Very low | 39.2 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -122.5 | 144.9 | -177 | -65 | 9.4 | 0 | 0 | 0 | 111.3 | | |
| 230 | K | 42 | Very low | 39.3 | Very low | 211 Ų | 211 | 153 Ų | 153 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | | | trans | -168.7 | 143.2 | 152.5 | -132.4 | 176.2 | -179.5 | -175.2 | 0 | 109 | | |
| 231 | A | 38.3 | Very low | 39.3 | Very low | 82 Ų | 82 | 152.6 Ų | 152.6 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | 170.5 | 161.5 | -44.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 232 | S | 39 | Very low | 39 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 71.2 | 159.2 | 176.5 | 75.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 233 | S | 39.1 | Very low | 38.9 | Very low | 105 Ų | 105 | 160.2 Ų | 160.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | | 180 | 136.7 | -65.1 | 46.9 | 0 | 0 | 0 | 0 | 113 | | |
| 234 | Q | 37.2 | Very low | 38.8 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | 37.1 | 120.1 | 151.8 | -68.2 | -176.3 | -18.5 | 0 | 0 | 122.4 | | |
| 235 | A | 35.6 | Very low | 39.2 | Very low | 98 Ų | 98 | 151.2 Ų | 151.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -161 | 121.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 236 | T | 36.4 | Very low | 39.2 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | | | cis | 86.4 | 98.4 | 34.6 | -48.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 237 | K | 43.2 | Very low | 39.2 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | 156.2 | 130.5 | 153.1 | -86.7 | 152.8 | -172.4 | 178.7 | 0 | 108.5 | | |
| 238 | S | 36.2 | Very low | 39.2 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | 112.7 | 138.4 | 14.5 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 239 | R | 35.7 | Very low | 38.6 | Very low | 209 Ų | 209 | 144.2 Ų | 144.2 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | | | trans | 119.6 | 109.8 | 166.7 | -161.3 | 171.5 | -172.7 | 174.4 | 0.6 | 112 | | |
| 240 | L | 40 | Very low | 39 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | | 67.3 | 135.1 | 85.5 | -127 | 78.3 | 0 | 0 | 0 | 111.1 | | |
| 241 | E | 39.6 | Very low | 39 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | | | cis | -140.2 | 145.4 | 24.2 | -82.2 | 164.3 | -144.6 | 0 | 0 | 109.8 | | |
| 242 | H | 36.5 | Very low | 39.2 | Very low | 164 Ų | 164 | 144 Ų | 144 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | | 85.6 | 98.2 | 56.7 | -158.2 | -27.3 | 0 | 0 | 0 | 114.6 | | |
| 243 | K | 40.9 | Very low | 39.5 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | | | | 172.5 | 149.3 | 128.2 | -96.7 | -175.8 | -179.8 | -166.4 | 0 | 112.6 | | |
| 244 | S | 36.9 | Very low | 39.7 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -135.2 | 144.5 | 177.4 | -43.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 245 | D | 44.1 | Very low | 39.9 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | -144.6 | 153.1 | 163.2 | -88.6 | -55.7 | 0 | 0 | 0 | 109.8 | | |
| 246 | T | 41.3 | Very low | 40.3 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 60% | 0.595 | 74% | 0.74 | S | S | * | * | | | cis | -179.5 | 133.4 | -29.7 | -92.8 | 0 | 0 | 0 | 0 | 105.3 | | |
| 247 | T | 39.6 | Very low | 40.6 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | trans | 63.9 | 157.1 | 170.7 | 55.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 248 | N | 40 | Very low | 40.9 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | cis | -148.9 | 170.1 | 6 | -119.1 | -16.1 | 0 | 0 | 0 | 113.3 | | |
| 249 | Y | 35.2 | Very low | 41.1 | Very low | 200 Ų | 200 | 156.1 Ų | 156.1 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | | | trans | -53.1 | 175.6 | 177.8 | -48.2 | -92.9 | 0 | 0 | 0 | 116.4 | | |
| 250 | L | 41.8 | Very low | 41.3 | Very low | 131 Ų | 131 | 156.6 Ų | 156.6 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | | | cis | -168.6 | 157.8 | 30.5 | -166.4 | 67.9 | 0 | 0 | 0 | 114.3 | | |
| 251 | K | 42 | Very low | 41.3 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | 96.2 | 125.4 | 163.4 | -62 | -141.6 | 168.8 | -157.8 | 0 | 118.1 | | |
| 252 | H | 43.2 | Very low | 41.2 | Very low | 139 Ų | 139 | 152 Ų | 152 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | | | cis | 76.3 | 132.1 | 48 | -72.1 | -71.5 | 0 | 0 | 0 | 112.2 | | |
| 253 | D | 44.6 | Very low | 41.5 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | cis | -154 | -178.4 | -9.1 | -76.8 | -42.9 | 0 | 0 | 0 | 106.8 | | |
| 254 | D | 44 | Very low | 41.7 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | cis | -149.4 | -142.8 | 6.8 | -164.1 | 58.3 | 0 | 0 | 0 | 111.3 | | |
| 255 | Y | 41.8 | Very low | 42.2 | Very low | 198 Ų | 198 | 150 Ų | 150 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | trans | -105.7 | -167.2 | 175.9 | -70.4 | -101.7 | 0 | 0 | 0 | 109.9 | | |
| 256 | K | 42.4 | Very low | 42.3 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | cis | -157.9 | 169.8 | 11.5 | -148.8 | 163.5 | -166.6 | 178 | 0 | 112.1 | | |
| 257 | K | 43 | Very low | 42.2 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | | | trans | -72.1 | 159.7 | 164.5 | -56.9 | 174.2 | 178.2 | 179.5 | 0 | 110.8 | | |
| 258 | D | 49.6 | Very low | 42.2 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | | | trans | -142.8 | 171.6 | 136.4 | -97.9 | -44.6 | 0 | 0 | 0 | 111.7 | | |
| 259 | Y | 40 | Very low | 42.2 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | -128.2 | -178.9 | -169.6 | -114.7 | -112.1 | 0 | 0 | 0 | 110.8 | | |
| 260 | Y | 40.2 | Very low | 42.6 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 86% | 0.863 | 75% | 0.746 | S | S | * | * | | | trans | 74.1 | 143.1 | -175.3 | -58.9 | -92.9 | 0 | 0 | 0 | 114.1 | | |
| 261 | S | 39.8 | Very low | 42.7 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | cis | 134.1 | 139.6 | -11.1 | -177 | 0 | 0 | 0 | 0 | 108.5 | | |
| 262 | S | 38.6 | Very low | 42.4 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | | | trans | 82.2 | 133.9 | 156.6 | -79 | 0 | 0 | 0 | 0 | 120.7 | | |
| 263 | D | 42.6 | Very low | 42.1 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 81.4 | 125.8 | 139.9 | -51.1 | -6.2 | 0 | 0 | 0 | 121.3 | | |
| 264 | E | 45.5 | Very low | 41.8 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 57.2 | 159.5 | 165.7 | -37.6 | -54 | 67.6 | 0 | 0 | 118.2 | | |
| 265 | D | 47.3 | Very low | 41.4 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | | | cis | -153.3 | -170.9 | 12.3 | -144.2 | -25.7 | 0 | 0 | 0 | 113.1 | | |
| 266 | Q | 45.8 | Very low | 41.1 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -68.9 | 146.9 | -170.8 | -71 | 109 | 47.5 | 0 | 0 | 119.2 | | |
| 267 | G | 39.4 | Very low | 40.8 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | | 105.2 | 148.4 | 112 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 268 | G | 39.3 | Very low | 40.7 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | 89.5 | 122 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 269 | S | 40.5 | Very low | 40 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | 55 | 130.5 | 52 | -102.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 270 | E | 42.4 | Very low | 39.7 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | -164.8 | 173.3 | 12.3 | -148.9 | 161 | -82.4 | 0 | 0 | 113.4 | | |
| 271 | L | 44.6 | Very low | 39.3 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | 69.2 | 149.2 | 165 | -54.7 | 171.5 | 0 | 0 | 0 | 118.9 | | |
| 272 | G | 36.4 | Very low | 39.6 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 172.9 | -74.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 273 | G | 35.8 | Very low | 39.5 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | 91.3 | -167.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 274 | I | 38.7 | Very low | 39.2 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | 69.7 | 84.9 | -175.9 | -45.5 | -177.7 | 0 | 0 | 0 | 115.7 | | |
| 275 | L | 35.6 | Very low | 39 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | 1.1 | 124.9 | 146.9 | -65.3 | 161.5 | 0 | 0 | 0 | 118.4 | | |
| 276 | S | 36.4 | Very low | 38.6 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -138.2 | 123.1 | 155.8 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | K278 | S276-K278 PolarHBondContact O-N 2.84Å; S276-K278 VanDerWaalsContact O-N 3.16Å |
| 277 | S | 35.6 | Very low | 38.2 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -79.4 | 94.1 | -170.3 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 278 | K | 39.7 | Very low | 38.1 | Very low | 192 Ų | 192 | 131.7 Ų | 131.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -127.9 | 53.4 | -172.3 | -157.4 | -179.2 | 178.1 | -179.9 | 0 | 115 | S276 | S276-K278 PolarHBondContact O-N 2.84Å; S276-K278 VanDerWaalsContact O-N 3.16Å |
| 279 | T | 36.5 | Very low | 38.1 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | | | trans | -154.4 | 107.7 | 169.3 | -7.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 280 | Y | 32.6 | Very low | 38.1 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | | 176.9 | 96.9 | 120.6 | -129.4 | -103 | 0 | 0 | 0 | 111.6 | P282 | Y280-P282 HydrophobicContact CD1-CG 4.29Å; Y280-P282 HydrophobicContact CE1-CG 4.07Å |
| 281 | Y | 32.8 | Very low | 38.5 | Very low | 231 Ų | 231 | 133.6 Ų | 133.6 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | | | trans | -139.2 | 100.4 | 154.8 | -94.3 | -79.5 | 0 | 0 | 0 | 106.6 | | |
| 282 | P | 44.9 | Very low | 38.6 | Very low | 91 Ų | 91 | 131 Ų | 131 | 59% | 0.591 | 75% | 0.754 | S | S | * | * | | | trans | -79.4 | 125.9 | 164.4 | 31.2 | -29.5 | 0 | 0 | 0 | 108.4 | Y280 | Y280-P282 HydrophobicContact CD1-CG 4.29Å; Y280-P282 HydrophobicContact CE1-CG 4.07Å |
| 283 | D | 38.2 | Very low | 38.9 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | trans | -58.1 | 144.7 | 174.5 | -78.8 | -61.2 | 0 | 0 | 0 | 111.5 | S285 | D283-S285 PolarHBondContact O-N 2.73Š|
| 284 | A | 35.7 | Very low | 39.6 | Very low | 114 Ų | 114 | 133 Ų | 133 | 94% | 0.942 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 35.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 285 | S | 40.4 | Very low | 40.2 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 6 | -171.2 | 53.4 | 0 | 0 | 0 | 0 | 114.8 | D283 | D283-S285 PolarHBondContact O-N 2.73Š|
| 286 | C | 40.1 | Very low | 40.8 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 64% | 0.635 | 70% | 0.702 | S | S | * | * | | | trans | -132.8 | 94.3 | 171.1 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | S288 | C286-S288 VanDerWaalsContact C-N 3.31Å; C286-S288 PolarHBondContact O-N 3.15Å; C286-S288 VanDerWaalsContact O-N 3.08Å |
| 287 | I | 37.2 | Very low | 41.5 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | | | trans | -79.6 | 87.4 | 163.8 | -58.8 | 178.5 | 0 | 0 | 0 | 107.2 | T289 | I287-T289 PolarHBondContact O-N 2.74Š|
| 288 | S | 36.3 | Very low | 42.3 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 50% | 0.497 | 70% | 0.695 | S | S | . | * | | | trans | -53 | 127.2 | 172 | -94.9 | 0 | 0 | 0 | 0 | 110.7 | C286 E292 | C286-S288 VanDerWaalsContact C-N 3.31Å; C286-S288 PolarHBondContact O-N 3.15Å; C286-S288 VanDerWaalsContact O-N 3.08Å; S288-E292 WeakPolarHBondContact CB-OE2 3.41Å; S288-E292 PolarHBondContact OG-OE2 2.9Å |
| 289 | T | 40.8 | Very low | 42.4 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 64% | 0.638 | 69% | 0.694 | S | S | * | * | | | trans | -66.5 | 143.7 | -176.6 | -27.1 | 0 | 0 | 0 | 0 | 109.7 | I287 S291 E292 | I287-T289 PolarHBondContact O-N 2.74Å; T289-S291 PolarHBondContact O-N 3.4Å; T289-E292 PolarHBondContact O-N 2.78Å; T289-E292 VanDerWaalsContact O-N 3.1Å |
| 290 | Y | 39.1 | Very low | 42.6 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -10.4 | 179.3 | -84.2 | -81.3 | 0 | 0 | 0 | 116.3 | M293 F294 | Y290-M293 HydrophobicContact CD1-CE 3.56Å; Y290-M293 HydrophobicContact CE1-CE 3.92Å; Y290-M293 HydrophobicContact CG-CE 4.23Å; Y290-F294 VanDerWaalsContact O-CD2 3.29Å; Y290-F294 WeakPolarHBondContact O-CD2 3.47Å |
| 291 | S | 51.4 | Low | 43.1 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -32.4 | 176.3 | -159.3 | 0 | 0 | 0 | 0 | 113.8 | T289 F294 | T289-S291 PolarHBondContact O-N 3.4Å; S291-F294 PolarHBondContact O-N 2.73Å |
| 292 | E | 46.8 | Very low | 43.4 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 51% | 0.514 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -71.2 | -43.7 | -173.5 | -67 | 173.7 | 150.9 | 0 | 0 | 111.2 | S288 T289 F294 S295 | S288-E292 WeakPolarHBondContact CB-OE2 3.41Å; S288-E292 PolarHBondContact OG-OE2 2.9Å; T289-E292 PolarHBondContact O-N 2.78Å; T289-E292 VanDerWaalsContact O-N 3.1Å; E292-F294 PolarHBondContact O-N 3.05Å; E292-S295 PolarHBondContact O-N 3.29Å; E292-S295 VanDerWaalsContact O-N 3.09Å |
| 293 | M | 42.8 | Very low | 43 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 50% | 0.502 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -62.1 | -10 | 178.4 | -65.3 | -175.8 | -72.8 | 0 | 0 | 114.8 | Y290 | Y290-M293 HydrophobicContact CD1-CE 3.56Å; Y290-M293 HydrophobicContact CE1-CE 3.92Å; Y290-M293 HydrophobicContact CG-CE 4.23Å |
| 294 | F | 50.6 | Low | 43 | Very low | 95 Ų | 95 | 131 Ų | 131 | 42% | 0.417 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -95.3 | -16.8 | 175.6 | -78.7 | -59 | 0 | 0 | 0 | 114.7 | Y290 S291 E292 | Y290-F294 VanDerWaalsContact O-CD2 3.29Å; Y290-F294 WeakPolarHBondContact O-CD2 3.47Å; S291-F294 PolarHBondContact O-N 2.73Å; E292-F294 PolarHBondContact O-N 3.05Å |
| 295 | S | 50.8 | Low | 43 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 58% | 0.58 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -31.9 | 180 | -63.7 | 0 | 0 | 0 | 0 | 113.2 | E292 | E292-S295 PolarHBondContact O-N 3.29Å; E292-S295 VanDerWaalsContact O-N 3.09Å |
| 296 | E | 49.2 | Very low | 42.8 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -74.6 | -33 | -179.9 | -63.3 | -170 | 123.8 | 0 | 0 | 113 | Q298 | E296-Q298 PolarHBondContact O-N 3.37Å; E296-Q298 VanDerWaalsContact O-N 3.12Å |
| 297 | L | 49.3 | Very low | 42.7 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -76.5 | 9.2 | -179.3 | -70.4 | 173.5 | 0 | 0 | 0 | 114.4 | | |
| 298 | Q | 53.1 | Low | 42.6 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -120.9 | 9.8 | -170.2 | -144.9 | 171 | 3.5 | 0 | 0 | 114.9 | E296 P300 | E296-Q298 PolarHBondContact O-N 3.37Å; E296-Q298 VanDerWaalsContact O-N 3.12Å; Q298-P300 WeakPolarHBondContact O-CD 3.5Å |
| 299 | K | 41.9 | Very low | 42.8 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | | | trans | -89.7 | 119.2 | 170.6 | -70.7 | -177.2 | 178 | 178.4 | 0 | 111.5 | | |
| 300 | P | 40.8 | Very low | 42.6 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | | | trans | -88 | 113.4 | 167.8 | 32.8 | -28.9 | 0 | 0 | 0 | 110.1 | Q298 Q302 | Q298-P300 WeakPolarHBondContact O-CD 3.5Å; P300-Q302 PolarHBondContact O-N 3.3Å |
| 301 | E | 42.8 | Very low | 42.7 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 94% | 0.944 | 72% | 0.722 | S | S | * | * | | | trans | -88.8 | 104.1 | 178.3 | -163.8 | 161.3 | -122 | 0 | 0 | 110.6 | | |
| 302 | Q | 39.7 | Very low | 42.1 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | trans | -103.8 | 119.8 | 168.9 | -65 | -179.2 | -1.8 | 0 | 0 | 109.3 | P300 | P300-Q302 PolarHBondContact O-N 3.3Š|
| 303 | L | 35.9 | Very low | 41.8 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | | | | -176.1 | 149.4 | 122.1 | -127.5 | 68.1 | 0 | 0 | 0 | 112 | | |
| 304 | I | 37.9 | Very low | 41.7 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | | | trans | -139.7 | 138.9 | 169 | -68.6 | -177.8 | 0 | 0 | 0 | 108.1 | | |
| 305 | H | 35.8 | Very low | 41.4 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | | | trans | 71.2 | 108 | 167.2 | -76.3 | 18.2 | 0 | 0 | 0 | 120.8 | | |
| 306 | S | 36.8 | Very low | 40.8 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | | -164.5 | 126.6 | 129.9 | 46.4 | 0 | 0 | 0 | 0 | 107 | | |
| 307 | Q | 37.2 | Very low | 40.2 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | | 59.1 | 95.1 | 63.9 | -78.3 | -165.2 | -19.5 | 0 | 0 | 115.2 | | |
| 308 | N | 35.6 | Very low | 39.8 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | | -174.5 | 169.3 | 93 | -95.7 | -52.9 | 0 | 0 | 0 | 113 | | |
| 309 | P | 41.6 | Very low | 39.1 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 62% | 0.617 | 77% | 0.765 | S | S | * | * | | | trans | -111 | -176.6 | -170.5 | 43.4 | -36.3 | 0 | 0 | 0 | 115.2 | | |
| 310 | D | 36.2 | Very low | 38.9 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | 59.1 | 113.9 | 154.4 | -57.8 | -30.7 | 0 | 0 | 0 | 120.8 | | |
| 311 | T | 41.6 | Very low | 38.8 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | | -163.9 | 134.8 | 127.8 | 4 | 0 | 0 | 0 | 0 | 114 | | |
| 312 | M | 37.5 | Very low | 38.6 | Very low | 146 Ų | 146 | 143 Ų | 143 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | | | trans | 62.9 | 123.6 | 145.3 | -78.3 | 158.9 | 58.7 | 0 | 0 | 123 | | |
| 313 | E | 41.7 | Very low | 38.7 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | trans | 73.9 | 146 | 135.6 | -62.8 | -169.7 | -149.3 | 0 | 0 | 120.4 | | |
| 314 | N | 40.7 | Very low | 39 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | | | cis | -158 | 145.7 | -16 | -120.4 | -33.1 | 0 | 0 | 0 | 111.4 | | |
| 315 | H | 43 | Very low | 39 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | | | trans | 55.8 | 139.7 | 163.1 | -44.9 | -40.4 | 0 | 0 | 0 | 119.8 | | |
| 316 | G | 38.5 | Very low | 39.1 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | cis | 170.3 | 170.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 317 | R | 37.8 | Very low | 39.2 | Very low | 243 Ų | 243 | 144.4 Ų | 144.4 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | | | trans | 70.2 | 114.5 | -179.6 | -65.8 | -177.6 | 177.1 | -129.2 | -3.8 | 114.7 | | |
| 318 | S | 40.7 | Very low | 39.2 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | | 77.1 | 133.3 | 75.1 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 319 | E | 38.9 | Very low | 39.4 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | cis | -155.7 | 132 | 0.1 | -115.1 | 153.7 | -112.9 | 0 | 0 | 108.3 | | |
| 320 | S | 36.6 | Very low | 39.1 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | | 79.4 | 136.8 | 92.8 | -169.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 321 | S | 39.4 | Very low | 39.2 | Very low | 96 Ų | 96 | 154 Ų | 154 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | 79.7 | 150.7 | 159.3 | 98 | 0 | 0 | 0 | 0 | 117 | | |
| 322 | R | 38.9 | Very low | 38.8 | Very low | 215 Ų | 215 | 153.9 Ų | 153.9 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | cis | -166.7 | 162.1 | -9.8 | -122.6 | 168.2 | -153.8 | 162.1 | 3.8 | 110.8 | | |
| 323 | I | 41.6 | Very low | 38.9 | Very low | 143 Ų | 143 | 155 Ų | 155 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | 67.5 | 114 | 158.2 | -61.4 | 155.3 | 0 | 0 | 0 | 114.9 | | |
| 324 | K | 41.5 | Very low | 38.6 | Very low | 181 Ų | 181 | 153 Ų | 153 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | | | cis | 80.6 | 134.4 | 44.8 | -69.4 | -167.7 | 172.7 | -178 | 0 | 116.5 | | |
| 325 | N | 37 | Very low | 38.8 | Very low | 130 Ų | 130 | 154.6 Ų | 154.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | 93.2 | 138.5 | 145.7 | -65.5 | -24.1 | 0 | 0 | 0 | 121.5 | | |
| 326 | R | 38.4 | Very low | 38.2 | Very low | 232 Ų | 232 | 151.3 Ų | 151.3 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | 73.7 | 144.3 | 153.7 | -69.6 | 160.6 | -176.7 | -171 | -0.5 | 117.4 | | |
| 327 | S | 40 | Very low | 38.2 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | cis | -165.1 | 154.4 | -14.4 | 42.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 328 | N | 35.9 | Very low | 38.1 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -55.9 | 143.5 | 169.7 | -57.5 | -77.1 | 0 | 0 | 0 | 112.7 | | |
| 329 | L | 39.3 | Very low | 38.1 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -152.8 | 150.6 | 146.4 | -112.8 | 164.1 | 0 | 0 | 0 | 111 | | |
| 330 | R | 37.2 | Very low | 38.2 | Very low | 218 Ų | 218 | 152.5 Ų | 152.5 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | | | trans | -98.5 | 166.1 | -173.5 | -71.1 | 164.3 | 142.3 | 164 | -10.5 | 111.2 | | |
| 331 | R | 37.5 | Very low | 38.2 | Very low | 211 Ų | 211 | 156.2 Ų | 156.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | 95.1 | 110.8 | 136.3 | -153.9 | -173.9 | -61.8 | 164.6 | 0.7 | 117.2 | | |
| 332 | V | 33.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | 32.7 | 121.3 | 135.8 | -171.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 333 | L | 37.7 | Very low | 38.7 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | | | | -170.4 | 158.2 | 123.9 | -101.2 | 166.5 | 0 | 0 | 0 | 111.3 | | |
| 334 | S | 35.4 | Very low | 38.7 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -81.7 | 148.8 | -176.1 | -49 | 0 | 0 | 0 | 0 | 112.8 | S336 | S334-S336 PolarHBondContact O-N 2.95Š|
| 335 | P | 44.9 | Very low | 38.5 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | -76.6 | 121.2 | 171.1 | 31 | -32.5 | 0 | 0 | 0 | 111.1 | | |
| 336 | S | 31.4 | Very low | 38.6 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -143.8 | 111.7 | 162.3 | -180 | 0 | 0 | 0 | 0 | 108.6 | S334 | S334-S336 PolarHBondContact O-N 2.95Š|
| 337 | C | 38.9 | Very low | 38.7 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -151 | 125.4 | 168.9 | -158.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 338 | N | 35.8 | Very low | 38.7 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -97.5 | 151.8 | 176.8 | -65.5 | -79.1 | 0 | 0 | 0 | 109.5 | | |
| 339 | Q | 41 | Very low | 38.8 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | | 155.7 | 148.7 | 113.5 | -82.9 | -172.6 | 13.5 | 0 | 0 | 114.7 | | |
| 340 | K | 39.7 | Very low | 38.7 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | trans | 78.8 | 88.2 | 150 | -73.3 | 155 | 178.9 | 157.4 | 0 | 120.8 | | |
| 341 | E | 37 | Very low | 38.9 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | | -15.6 | 166.7 | 118.8 | -101.2 | -162.2 | 114.3 | 0 | 0 | 118.6 | | |
| 342 | P | 45.7 | Very low | 39 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | cis | -153.5 | 179 | 43.7 | 40.8 | -17.9 | 0 | 0 | 0 | 121.5 | | |
| 343 | T | 43.2 | Very low | 39.2 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | | | trans | 69.6 | 101.9 | 146.3 | 42.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 344 | N | 40.8 | Very low | 39.3 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | | 171.8 | 110.7 | 99.1 | -98.3 | -50.5 | 0 | 0 | 0 | 109.4 | | |
| 345 | S | 38.9 | Very low | 39.5 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | | | | 83.8 | 105.2 | 56.1 | 99.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 346 | F | 38.5 | Very low | 39.2 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | | | trans | -168.6 | 124.4 | 134.9 | -106.4 | -66.4 | 0 | 0 | 0 | 112.4 | | |
| 347 | L | 41.2 | Very low | 39.8 | Very low | 136 Ų | 136 | 143 Ų | 143 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | | | trans | 43.4 | 112.3 | 161.6 | -100.1 | 71.6 | 0 | 0 | 0 | 123.2 | | |
| 348 | R | 39.4 | Very low | 39.5 | Very low | 208 Ų | 208 | 141.9 Ų | 141.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | | 55.7 | 141.8 | 115.1 | -66.5 | -172.2 | 180 | -114.9 | 2.4 | 120.2 | | |
| 349 | Q | 38.3 | Very low | 39.5 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | | | cis | -167 | 146.2 | 6.6 | -129.3 | -173 | -109.9 | 0 | 0 | 113.8 | | |
| 350 | T | 37 | Very low | 39.8 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | trans | 58.4 | 145.9 | 149.4 | 47.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 351 | V | 40.9 | Very low | 40.1 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | | | cis | -155.5 | 156.4 | 3.9 | 112.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 352 | F | 39.3 | Very low | 40 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | | | trans | 0.4 | 135.5 | 168.4 | -54.9 | -61.3 | 0 | 0 | 0 | 121.1 | | |
| 353 | R | 37.7 | Very low | 39.8 | Very low | 210 Ų | 210 | 138.9 Ų | 138.9 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | | | | 55.9 | 140.9 | 72.1 | -67 | -162.3 | -176.6 | -149.9 | 4.9 | 113.1 | | |
| 354 | S | 40 | Very low | 39.4 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | cis | -148.8 | 172.3 | 30.8 | -83.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 355 | D | 40 | Very low | 39.4 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | | | cis | -179.7 | 173.1 | -20 | -91.3 | -52.6 | 0 | 0 | 0 | 104.7 | | |
| 356 | E | 39.1 | Very low | 39.2 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | | | trans | 78.6 | 111.1 | 157.8 | -76.7 | 176.4 | -145.4 | 0 | 0 | 124.2 | | |
| 357 | I | 43.3 | Very low | 39.1 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | | | trans | 89.5 | 84.5 | 138.2 | -54.2 | 164 | 0 | 0 | 0 | 119.9 | | |
| 358 | S | 32.4 | Very low | 38.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | | | | 56.2 | 110.6 | 125 | -54.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 359 | P | 35.4 | Very low | 38.9 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | | | trans | -98.7 | 153.5 | 150 | 37.3 | -30.8 | 0 | 0 | 0 | 112.6 | I361 | P359-I361 HydrophobicContact CB-CG1 4.29Å; P359-I361 HydrophobicContact CG-CD1 4.35Å; P359-I361 HydrophobicContact CG-CG1 4.17Å |
| 360 | P | 48.9 | Very low | 38.9 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | | | trans | -91.7 | 102.6 | 149.5 | 32.3 | -25.4 | 0 | 0 | 0 | 109.1 | | |
| 361 | I | 44.5 | Very low | 38.9 | Very low | 109 Ų | 109 | 142 Ų | 142 | 56% | 0.559 | 74% | 0.738 | S | S | * | * | | | trans | -82.6 | 122.1 | 168.9 | -66.6 | 170.6 | 0 | 0 | 0 | 107.9 | P359 R363 | P359-I361 HydrophobicContact CB-CG1 4.29Å; P359-I361 HydrophobicContact CG-CD1 4.35Å; P359-I361 HydrophobicContact CG-CG1 4.17Å; I361-R363 HydrophobicContact CG2-CB 4.03Å; I361-R363 HydrophobicContact CG2-CG 3.61Å |
| 362 | D | 36.3 | Very low | 38.7 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | | | trans | -109.9 | 135.7 | 152.9 | -159 | -10.1 | 0 | 0 | 0 | 108.9 | | |
| 363 | R | 42 | Very low | 38.5 | Very low | 178 Ų | 178 | 142 Ų | 142 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | | | trans | -118.6 | 77.8 | -147.4 | -131.4 | 175.1 | -160.6 | 170.2 | 4.7 | 112.2 | I361 T365 | I361-R363 HydrophobicContact CG2-CB 4.03Å; I361-R363 HydrophobicContact CG2-CG 3.61Å; R363-T365 PolarHBondContact O-N 3.25Å |
| 364 | H | 34.6 | Very low | 38.4 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 91% | 0.912 | 74% | 0.741 | S | S | * | * | | | trans | -71.8 | 71 | 162.6 | -76.8 | -49.8 | 0 | 0 | 0 | 111.3 | | |
| 365 | T | 40 | Very low | 38.3 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | | | trans | -137.4 | 109.2 | 172.4 | 55.3 | 0 | 0 | 0 | 0 | 112 | R363 | R363-T365 PolarHBondContact O-N 3.25Š|
| 366 | T | 34.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | trans | 50.9 | 95.1 | 141 | 59.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 367 | N | 37 | Very low | 38 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | | -91.9 | 109 | 119.8 | -74.1 | -39.6 | 0 | 0 | 0 | 105.2 | | |
| 368 | I | 35.5 | Very low | 37.8 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | | | | 67.3 | 100.6 | 69.5 | -59.9 | 165.2 | 0 | 0 | 0 | 110.3 | | |
| 369 | L | 40.7 | Very low | 38 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | trans | 177.3 | 57.3 | 140.1 | -95 | 165.8 | 0 | 0 | 0 | 110.3 | F371 | L369-F371 HydrophobicContact CD2-CD2 3.64Å; L369-F371 HydrophobicContact CD2-CE2 3.53Å |
| 370 | D | 37 | Very low | 37.9 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -78.8 | 114.3 | 160.2 | -80.6 | -47.9 | 0 | 0 | 0 | 107.8 | | |
| 371 | F | 37.8 | Very low | 37.3 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -100 | 127.9 | 179.4 | -116.3 | -83.8 | 0 | 0 | 0 | 111.4 | L369 | L369-F371 HydrophobicContact CD2-CD2 3.64Å; L369-F371 HydrophobicContact CD2-CE2 3.53Å |
| 372 | C | 35.9 | Very low | 36.9 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -88.3 | 133.5 | -171.2 | -59.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 373 | I | 36.8 | Very low | 36.7 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | -145.1 | 104.2 | 152.7 | -50.8 | 179.3 | 0 | 0 | 0 | 105 | | |
| 374 | S | 34.6 | Very low | 36.2 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | cis | 105.7 | 159.7 | 34.8 | 78.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 375 | S | 37.2 | Very low | 36.2 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 67.4 | 120.5 | -166.1 | 70.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 376 | S | 36.5 | Very low | 35.9 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | cis | 83.8 | 143.3 | 45.7 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 377 | V | 37 | Very low | 36.2 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | cis | -132.8 | 179.6 | 3.7 | -127.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 378 | D | 38.6 | Very low | 36.3 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | cis | -160.6 | 171.4 | 39 | -125.8 | -39.6 | 0 | 0 | 0 | 113 | | |
| 379 | Q | 36.7 | Very low | 36.5 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -115 | 144.2 | -176.6 | -57.8 | 177.6 | 7.8 | 0 | 0 | 113.7 | | |
| 380 | F | 33.5 | Very low | 36.4 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 91% | 0.912 | 77% | 0.767 | S | S | * | * | | | trans | -156 | 113.1 | 153.6 | -94.7 | -66.2 | 0 | 0 | 0 | 112.9 | | |
| 381 | P | 36.4 | Very low | 36.4 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -129.9 | 99.7 | 175.6 | 36.6 | -20.3 | 0 | 0 | 0 | 114.6 | | |
| 382 | H | 36.3 | Very low | 36.6 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -133.8 | 131.4 | 162.3 | -68.7 | -23.5 | 0 | 0 | 0 | 108.5 | | |
| 383 | L | 33.3 | Very low | 36.7 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | cis | 73.4 | 122.4 | 40 | -77.2 | 172.4 | 0 | 0 | 0 | 116.4 | | |
| 384 | R | 30.5 | Very low | 37 | Very low | 219 Ų | 219 | 138.7 Ų | 138.7 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | | | trans | 93.8 | 124.2 | 152.4 | -75.8 | -175.2 | 170.7 | 177.5 | -2.2 | 122.2 | | |
| 385 | T | 34.5 | Very low | 37.3 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | | | trans | 86.6 | 130.4 | 130.8 | 47.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 386 | S | 33.1 | Very low | 37.5 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | 68.3 | 151.7 | 159.5 | 71.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 387 | L | 40.4 | Very low | 38 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | cis | -156.2 | 163.5 | -0.4 | -138.2 | 28.9 | 0 | 0 | 0 | 106 | | |
| 388 | D | 39.2 | Very low | 38.2 | Very low | 98 Ų | 98 | 148 Ų | 148 | 52% | 0.524 | 76% | 0.763 | S | S | . | * | | | cis | -157.7 | -164 | 6.6 | -152.4 | -16.9 | 0 | 0 | 0 | 110.5 | | |
| 389 | K | 40.2 | Very low | 38.1 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 70% | 0.7 | 76% | 0.762 | S | S | * | * | | | trans | -14.8 | 154.1 | 152.6 | -68.3 | 146 | -157.2 | 135.1 | 0 | 118.7 | | |
| 390 | T | 40.1 | Very low | 38.3 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | cis | -156 | 165.3 | 15.8 | -8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 391 | A | 35.1 | Very low | 38.3 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | | | trans | -124.9 | 134.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 392 | I | 43.4 | Very low | 38.5 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | trans | -158.3 | 119.1 | 172.1 | -34.8 | 176.6 | 0 | 0 | 0 | 102.9 | | |
| 393 | H | 37.7 | Very low | 38.3 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | cis | 78.5 | 147.3 | 34 | -134.4 | -65.3 | 0 | 0 | 0 | 114.9 | | |
| 394 | E | 42.5 | Very low | 38.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | 65.2 | 107.3 | -175.2 | -32.3 | -49.7 | 177.1 | 0 | 0 | 113.5 | | |
| 395 | D | 41.1 | Very low | 38.6 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | | 80.6 | 111.7 | 71.5 | -81.6 | 4.7 | 0 | 0 | 0 | 112.9 | | |
| 396 | D | 41 | Very low | 38.6 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | | -170.9 | 128.5 | 112.3 | -115.2 | -20 | 0 | 0 | 0 | 114.5 | | |
| 397 | L | 47.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | 38.9 | 151.7 | 138.9 | -64.4 | 170.7 | 0 | 0 | 0 | 125.8 | | |
| 398 | E | 40.9 | Very low | 38.3 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | trans | 87.5 | 133.3 | 161.5 | -53.5 | -152.7 | 143.2 | 0 | 0 | 121.5 | | |
| 399 | S | 37.3 | Very low | 38 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | cis | -169.3 | 161.2 | -44.1 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 400 | A | 39.2 | Very low | 37.8 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | 62.9 | 119.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 401 | E | 34.6 | Very low | 37.5 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | -67.5 | 168.2 | 161.6 | -53.1 | 175.2 | 83.4 | 0 | 0 | 112.3 | R403 | E401-R403 IonicContact OE1-NE 3.87Š|
| 402 | S | 39.5 | Very low | 37.5 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | | | | -160.2 | 142.5 | 111.7 | 33 | 0 | 0 | 0 | 0 | 115.3 | | |
| 403 | R | 32.9 | Very low | 37.2 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | | | trans | -66.8 | 146 | -172.8 | -54.8 | 161.9 | -173.5 | -179.2 | 1.3 | 113.3 | E401 | E401-R403 IonicContact OE1-NE 3.87Š|
| 404 | G | 35 | Very low | 37.3 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -166.5 | 133.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 405 | L | 34.1 | Very low | 37 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | | | trans | -123 | 165.5 | -176.1 | -74 | 169.5 | 0 | 0 | 0 | 112.3 | | |
| 406 | V | 34.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | 89.6 | 110.2 | 158.9 | -170.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 407 | N | 33.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | trans | 24.9 | 151.2 | 133.9 | -53.9 | -75.5 | 0 | 0 | 0 | 120.7 | | |
| 408 | R | 34.6 | Very low | 37.2 | Very low | 198 Ų | 198 | 140 Ų | 140 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | | | cis | -178.2 | 135.9 | 40.1 | -158.9 | -173.6 | -103.8 | -176.1 | -2.3 | 113.8 | | |
| 409 | R | 33.2 | Very low | 37.4 | Very low | 215 Ų | 215 | 139.6 Ų | 139.6 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | | | trans | 58.9 | 163 | 147.5 | -76.9 | 178.2 | -162.3 | -171.6 | 3.8 | 121.1 | | |
| 410 | V | 35.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | cis | -172.8 | -179.9 | -32.4 | 88.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 411 | Q | 34.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 59% | 0.589 | 72% | 0.719 | S | S | * | * | | | trans | 83.1 | 121.4 | 169.3 | -89.6 | 170.5 | -45.8 | 0 | 0 | 117.3 | M660 | Q411-M660 HydrophobicContact CG-SD 4.19Š|
| 412 | Q | 34.9 | Very low | 38.2 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 59% | 0.593 | 73% | 0.727 | S | S | * | * | | | | 77 | 145.6 | 80.1 | -77.2 | -164.4 | -73.7 | 0 | 0 | 113.2 | M660 | Q412-M660 VanDerWaalsContact CD-SD 3.55Å; Q412-M660 HydrophobicContact CG-SD 3.98Å; Q412-M660 PolarHBondContact OE1-SD 3.4Å |
| 413 | S | 35.5 | Very low | 38 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | | | cis | 178.5 | 158.2 | -9.7 | 49 | 0 | 0 | 0 | 0 | 109.7 | | |
| 414 | Q | 40.2 | Very low | 38.4 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | | | trans | -158.5 | 175.2 | 149.7 | -158.4 | 132.1 | -19.6 | 0 | 0 | 113.2 | | |
| 415 | E | 37.5 | Very low | 38.4 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 43% | 0.425 | 72% | 0.718 | S | S | . | * | | | trans | -138.8 | 159.7 | -169 | -173.4 | 163.4 | -158.2 | 0 | 0 | 107.1 | S172 V173 | S172-E415 WeakPolarHBondContact CB-OE1 3.48Å; S172-E415 PolarHBondContact OG-OE1 3.46Å; V173-E415 PolarHBondContact N-OE1 3.37Å |
| 416 | E | 39.1 | Very low | 38.5 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 62% | 0.621 | 72% | 0.72 | S | S | * | * | | | | 166.8 | 166 | 105.7 | -86.8 | 179.6 | 144.6 | 0 | 0 | 110.8 | S174 | S174-E416 VanDerWaalsContact CB-CA 3.43Å; S174-E416 VanDerWaalsContact CB-O 3.22Å; S174-E416 WeakPolarHBondContact CB-O 3.42Å; S174-E416 PolarHBondContact OG-O 3.3Å |
| 417 | L | 46 | Very low | 38.3 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 65% | 0.654 | 72% | 0.721 | S | S | * | * | | | | 151.1 | 140.8 | 121.3 | -149.8 | 68.1 | 0 | 0 | 0 | 115.3 | | |
| 418 | E | 47.5 | Very low | 38.3 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | 51.2 | 104.7 | 160.4 | -79 | 145 | -151.5 | 0 | 0 | 119.8 | | |
| 419 | E | 46.2 | Very low | 38.4 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | | 63.2 | 123.4 | 69.4 | -59.3 | -162.3 | 164.7 | 0 | 0 | 115.1 | | |
| 420 | D | 42.2 | Very low | 38.4 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | | -166.6 | 147.3 | 113.5 | -126.1 | -0.4 | 0 | 0 | 0 | 116.9 | | |
| 421 | L | 44.3 | Very low | 38.2 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | | | trans | 47.7 | 114.8 | 151.5 | -63 | 169.7 | 0 | 0 | 0 | 125.2 | | |
| 422 | L | 41.2 | Very low | 38 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | | | | 83.9 | 154.2 | 129.6 | -62.2 | 171.8 | 0 | 0 | 0 | 122.7 | | |
| 423 | A | 35.7 | Very low | 37.8 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | -158.6 | -157.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 424 | P | 41.7 | Very low | 37.7 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | cis | -127.4 | -165.1 | -25 | 37.5 | -17.9 | 0 | 0 | 0 | 112.2 | | |
| 425 | E | 34.3 | Very low | 37.2 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | | | trans | 57.5 | 120.8 | 159.5 | -56.5 | -160.1 | -164.2 | 0 | 0 | 121.9 | | |
| 426 | L | 36.7 | Very low | 37.2 | Very low | 177 Ų | 177 | 133 Ų | 133 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | | | trans | -142.3 | 137.3 | 139.9 | -83.7 | -174.8 | 0 | 0 | 0 | 110.4 | | |
| 427 | S | 30.5 | Very low | 36.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -140 | 177.7 | 168 | -75.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 428 | I | 33.3 | Very low | 36.3 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | trans | 92.7 | 94.7 | 174.3 | -52.6 | 170.8 | 0 | 0 | 0 | 116.1 | | |
| 429 | I | 36.1 | Very low | 36 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | 39.9 | 127.9 | 117.7 | -54.4 | 157.6 | 0 | 0 | 0 | 119.4 | | |
| 430 | T | 32.6 | Very low | 35.4 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -169.2 | 161.2 | 132.3 | 11.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 431 | G | 31.5 | Very low | 35.1 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | trans | 103.3 | 49.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 432 | S | 30.9 | Very low | 34.5 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | | 55.1 | 110 | 83 | 73.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 433 | N | 31.4 | Very low | 34.3 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | | | | 178 | 129 | 117 | -86.8 | -7.4 | 0 | 0 | 0 | 112.8 | | |
| 434 | T | 32.1 | Very low | 34.1 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | trans | 49.5 | 137.6 | 148.6 | 57 | 0 | 0 | 0 | 0 | 121.4 | | |
| 435 | A | 31.2 | Very low | 34 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | | | cis | -168 | -172.5 | -8.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 436 | T | 35.8 | Very low | 33.9 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | 63.1 | 89.4 | 165 | 65.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 437 | S | 29.1 | Very low | 33.9 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | | -116.8 | 151 | 124.4 | 65.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 438 | S | 38.1 | Very low | 34 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | trans | -77.1 | 164.1 | 163.8 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 439 | D | 40.7 | Very low | 34 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 58.2 | 93 | 163.6 | -37.1 | -51.8 | 0 | 0 | 0 | 114.3 | | |
| 440 | G | 34.3 | Very low | 33.8 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | | 85.5 | 113.9 | 56.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 441 | V | 36.1 | Very low | 33.8 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | | | cis | -146.1 | 158.7 | 40.9 | 167.5 | 0 | 0 | 0 | 0 | 111 | | |
| 442 | L | 30.1 | Very low | 33.7 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -122.9 | 138.7 | 176 | -72.4 | 172.4 | 0 | 0 | 0 | 113.4 | | |
| 443 | V | 37.9 | Very low | 33.7 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -145.6 | 121.1 | 156.4 | -177.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 444 | S | 32 | Very low | 33.7 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | cis | 105.4 | 76.5 | 11.5 | -53.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 445 | T | 39.3 | Very low | 33.5 | Very low | 133 Ų | 133 | 121.1 Ų | 121.1 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | trans | -153.5 | 115.5 | 150.3 | 48 | 0 | 0 | 0 | 0 | 105.7 | | |
| 446 | L | 32 | Very low | 33.4 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | | 51.7 | 122.4 | 55.2 | -69.4 | 157 | 0 | 0 | 0 | 110.7 | | |
| 447 | T | 36 | Very low | 33.2 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | cis | -147.8 | 178.9 | 45 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 448 | D | 33 | Very low | 33.5 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | | | cis | -158 | 167.6 | -15.7 | -118.9 | -45.3 | 0 | 0 | 0 | 111.5 | | |
| 449 | T | 33.3 | Very low | 33.5 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | 40.7 | 136.1 | 156.2 | 58.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 450 | G | 32.2 | Very low | 33.2 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | cis | 148.4 | 137.7 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 451 | A | 32.1 | Very low | 33.3 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 62.1 | 158.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 452 | M | 30.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | cis | -162.8 | 158.3 | -21.2 | -102 | -87.1 | 81.1 | 0 | 0 | 109.1 | | |
| 453 | L | 31.3 | Very low | 34 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 41.1 | 123 | 149.8 | -60.7 | 165.9 | 0 | 0 | 0 | 121.4 | | |
| 454 | S | 31.4 | Very low | 34.6 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | | -160.6 | 166.7 | 102.8 | -160.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 455 | C | 26.4 | Very low | 35.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | | | trans | -125.9 | 175.7 | -170.5 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 456 | N | 30.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | 116.7 | 145.6 | 175.4 | -68.9 | -43.5 | 0 | 0 | 0 | 114.5 | | |
| 457 | S | 30.5 | Very low | 36.6 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | cis | -168.6 | 160.9 | -26.1 | -109.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 458 | S | 36.7 | Very low | 37.3 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | 67.9 | 157.9 | 166.5 | 85.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 459 | S | 37.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | cis | -165.4 | 150.2 | -31 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 460 | G | 34.3 | Very low | 39.8 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | 82.9 | 141.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 461 | S | 36.5 | Very low | 40.7 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | cis | -152.4 | 149.2 | -9.6 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 462 | S | 37.1 | Very low | 41.9 | Very low | 86 Ų | 86 | 143.7 Ų | 143.7 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | | | trans | -87.1 | 133.1 | -171.1 | -179.3 | 0 | 0 | 0 | 0 | 113.3 | R464 | S462-R464 PolarHBondContact OG-N 3.19Š|
| 463 | R | 43.6 | Very low | 42.9 | Very low | 247 Ų | 247 | 142.3 Ų | 142.3 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | | | trans | -134.8 | 53 | 146.4 | -75.5 | -162 | 167.6 | -178 | -3.8 | 111.6 | K465 | R463-K465 PolarHBondContact O-N 3.19Å; R463-K465 VanDerWaalsContact O-N 3.14Å |
| 464 | R | 50.5 | Low | 43.5 | Very low | 230 Ų | 230 | 141.8 Ų | 141.8 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | | | trans | -61.4 | 112.4 | 160.5 | -62.4 | 178.5 | 98.9 | 177 | 6.5 | 107.2 | S462 S466 | S462-R464 PolarHBondContact OG-N 3.19Å; R464-S466 PolarHBondContact O-N 3.4Å |
| 465 | K | 49.2 | Very low | 44.1 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.2 | 164.5 | -78.4 | -170.3 | 173.9 | -172.9 | 0 | 107 | R463 | R463-K465 PolarHBondContact O-N 3.19Å; R463-K465 VanDerWaalsContact O-N 3.14Å |
| 466 | S | 43.4 | Very low | 44.9 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 148.3 | -179.4 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | R464 V468 | R464-S466 PolarHBondContact O-N 3.4Å; S466-V468 PolarHBondContact O-N 2.99Å |
| 467 | P | 53.9 | Low | 45.4 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 125.4 | 154.9 | -19.5 | 32.3 | 0 | 0 | 0 | 107.9 | R469 | P467-R469 PolarHBondContact O-N 3.29Å; P467-R469 VanDerWaalsContact O-N 3.14Å |
| 468 | V | 49 | Very low | 45.7 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -66.8 | 114.6 | 174.4 | 176.7 | 0 | 0 | 0 | 0 | 106.8 | S466 | S466-V468 PolarHBondContact O-N 2.99Š|
| 469 | R | 60 | Low | 45.4 | Very low | 221 Ų | 221 | 149.2 Ų | 149.2 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.4 | 173.4 | -63.7 | -179 | -178 | 176.1 | -0.3 | 108.1 | P467 M471 | P467-R469 PolarHBondContact O-N 3.29Å; P467-R469 VanDerWaalsContact O-N 3.14Å; R469-M471 PolarHBondContact O-N 3.07Å; R469-M471 VanDerWaalsContact O-N 3.16Å |
| 470 | P | 59.6 | Low | 45.4 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 121.2 | 166.2 | 26.6 | -32.3 | 0 | 0 | 0 | 107.8 | Q472 | P470-Q472 PolarHBondContact O-N 3.07Š|
| 471 | M | 52.1 | Low | 45.1 | Very low | 172 Ų | 172 | 153.8 Ų | 153.8 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123.3 | 173 | -69.7 | -159.4 | -55.4 | 0 | 0 | 108.5 | R469 V473 | R469-M471 PolarHBondContact O-N 3.07Å; R469-M471 VanDerWaalsContact O-N 3.16Å; M471-V473 PolarHBondContact O-N 2.8Å; M471-V473 VanDerWaalsContact O-N 3.08Å |
| 472 | Q | 56.6 | Low | 44.9 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -66.3 | 108 | 166.8 | -68.9 | 170.7 | -65.1 | 0 | 0 | 107.6 | P470 L474 | P470-Q472 PolarHBondContact O-N 3.07Å; Q472-L474 VanDerWaalsContact C-N 3.29Å; Q472-L474 HydrophobicContact CB-CD1 4.32Å; Q472-L474 PolarHBondContact O-N 3.3Å |
| 473 | V | 51.3 | Low | 44.9 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -72.6 | 90.5 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | M471 R475 | M471-V473 PolarHBondContact O-N 2.8Å; M471-V473 VanDerWaalsContact O-N 3.08Å; V473-R475 PolarHBondContact O-N 3.32Å |
| 474 | L | 45.1 | Very low | 44.3 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | | | trans | -60.1 | 107.2 | 162.6 | -90 | 77.7 | 0 | 0 | 0 | 107.2 | Q472 T476 | Q472-L474 VanDerWaalsContact C-N 3.29Å; Q472-L474 HydrophobicContact CB-CD1 4.32Å; Q472-L474 PolarHBondContact O-N 3.3Å; L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 2.93Å |
| 475 | R | 43.1 | Very low | 43.5 | Very low | 228 Ų | 228 | 143.2 Ų | 143.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -70.3 | 92.7 | 158.3 | -72.2 | -170.8 | 178 | 99.6 | -4.3 | 107 | V473 K477 | V473-R475 PolarHBondContact O-N 3.32Å; R475-K477 VanDerWaalsContact C-N 3.34Å; R475-K477 PolarHBondContact O-N 3.09Å |
| 476 | T | 44 | Very low | 42.6 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | | | trans | -58.3 | 101.8 | 160.8 | 36.8 | 0 | 0 | 0 | 0 | 107.7 | L474 T478 | L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 2.93Å; T476-T478 PolarHBondContact O-N 2.72Å; T476-T478 VanDerWaalsContact O-N 3.13Å |
| 477 | K | 39.6 | Very low | 42.3 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -61.1 | 113.3 | 158.1 | -69.1 | -177 | 177.9 | -177.3 | 0 | 105.5 | R475 T479 | R475-K477 VanDerWaalsContact C-N 3.34Å; R475-K477 PolarHBondContact O-N 3.09Å; K477-T479 PolarHBondContact O-N 3.41Å; K477-T479 PolarHBondContact O-OG1 3.32Å |
| 478 | T | 36.9 | Very low | 41.4 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -72.3 | 74.8 | 166.5 | 35.2 | 0 | 0 | 0 | 0 | 108.2 | T476 H480 | T476-T478 PolarHBondContact O-N 2.72Å; T476-T478 VanDerWaalsContact O-N 3.13Å; T478-H480 VanDerWaalsContact C-N 3.3Å; T478-H480 PolarHBondContact O-N 2.97Å |
| 479 | T | 30.2 | Very low | 40.5 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | | | trans | -68.1 | 91.9 | 172.4 | -39.3 | 0 | 0 | 0 | 0 | 107.4 | K477 T481 | K477-T479 PolarHBondContact O-N 3.41Å; K477-T479 PolarHBondContact O-OG1 3.32Å; T479-T481 HydrophobicContact CG2-CG2 3.81Å; T479-T481 PolarHBondContact O-N 3.03Å |
| 480 | H | 37 | Very low | 39.2 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | trans | -73.8 | 75.1 | 168 | -76.9 | -79.4 | 0 | 0 | 0 | 109.1 | T478 S482 | T478-H480 VanDerWaalsContact C-N 3.3Å; T478-H480 PolarHBondContact O-N 2.97Å; H480-S482 PolarHBondContact O-N 2.87Å |
| 481 | T | 29.4 | Very low | 37.6 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | | | trans | -68.9 | 114.6 | 163 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | T479 | T479-T481 HydrophobicContact CG2-CG2 3.81Å; T479-T481 PolarHBondContact O-N 3.03Å |
| 482 | S | 31.8 | Very low | 36.7 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -166.3 | 134.6 | 142.6 | -82.2 | 0 | 0 | 0 | 0 | 109.4 | H480 | H480-S482 PolarHBondContact O-N 2.87Š|
| 483 | T | 35.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | 35.7 | 100.5 | 155.9 | 55 | 0 | 0 | 0 | 0 | 116.4 | | |
| 484 | T | 31.1 | Very low | 34.5 | Very low | 148 Ų | 148 | 130 Ų | 130 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | | | cis | 52.7 | 65.5 | 47.8 | -40.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 485 | A | 34.1 | Very low | 34 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | -157.5 | 113 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 486 | A | 31.1 | Very low | 33.4 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | -85.4 | 156 | 147.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 487 | P | 36.9 | Very low | 33.1 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | -143.1 | 178.9 | 90.1 | 38.6 | -23.4 | 0 | 0 | 0 | 115.1 | | |
| 488 | S | 35 | Very low | 32.8 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | -62.8 | 155.2 | 178.9 | 52 | 0 | 0 | 0 | 0 | 116.3 | | |
| 489 | N | 29.9 | Very low | 32.8 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | 45.6 | 92 | 140.7 | -59.3 | 2.2 | 0 | 0 | 0 | 118.5 | | |
| 490 | A | 33.2 | Very low | 33.1 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -149.9 | 132.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 491 | S | 25.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -84.9 | 130.9 | 167 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 492 | P | 32.8 | Very low | 33.6 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | trans | -118.6 | 126 | 135.2 | -3.4 | 24.2 | 0 | 0 | 0 | 109.4 | | |
| 493 | T | 33.4 | Very low | 33.9 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | | 80.4 | 111.4 | 83 | -58 | 0 | 0 | 0 | 0 | 112.2 | | |
| 494 | M | 27.3 | Very low | 33.6 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -42.3 | 135.3 | 170.3 | -64.5 | -91.3 | -79 | 0 | 0 | 113.7 | V496 | M494-V496 HydrophobicContact CE-CG2 3.61Å; M494-V496 HydrophobicContact SD-CG2 4.49Å |
| 495 | L | 34.6 | Very low | 33.8 | Very low | 180 Ų | 180 | 126.4 Ų | 126.4 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | | | trans | -131.4 | 126.6 | 142.6 | -87.8 | 177.9 | 0 | 0 | 0 | 108.9 | | |
| 496 | V | 32 | Very low | 33.5 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 67% | 0.673 | 80% | 0.797 | S | S | * | * | | | trans | -106.8 | 114.5 | -174.8 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | M494 | M494-V496 HydrophobicContact CE-CG2 3.61Å; M494-V496 HydrophobicContact SD-CG2 4.49Å |
| 497 | T | 37.8 | Very low | 33.8 | Very low | 144 Ų | 144 | 133 Ų | 133 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -147.1 | 130.6 | 156.9 | 53.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 498 | G | 32.2 | Very low | 33.4 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | cis | 150.7 | 57.1 | 4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 499 | S | 36.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -157.4 | 104.6 | 177.5 | 60.8 | 0 | 0 | 0 | 0 | 110 | N501 | S499-N501 PolarHBondContact O-N 3.41Š|
| 500 | D | 36.8 | Very low | 33.6 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -75.8 | 124.2 | -175.7 | -50.5 | -79.9 | 0 | 0 | 0 | 111.4 | | |
| 501 | N | 39.2 | Very low | 33.5 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | 174.4 | 139.8 | 136.3 | -95.5 | -57.4 | 0 | 0 | 0 | 112.6 | S499 | S499-N501 PolarHBondContact O-N 3.41Š|
| 502 | S | 37.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 67.4 | 136.5 | 173.3 | 72.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 503 | P | 38.8 | Very low | 33.8 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -95.5 | 165.9 | -174.5 | 37.6 | -36.8 | 0 | 0 | 0 | 115.4 | | |
| 504 | F | 30 | Very low | 33.7 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | | | trans | 2.4 | 140.5 | 144.9 | -58.8 | -88.4 | 0 | 0 | 0 | 117.8 | | |
| 505 | V | 35.3 | Very low | 34 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | | -138 | 139.1 | 57.1 | 174.2 | 0 | 0 | 0 | 0 | 114 | T507 | V505-T507 HydrophobicContact CG1-CG2 3.79Š|
| 506 | F | 27.6 | Very low | 33.7 | Very low | 202 Ų | 202 | 129.5 Ų | 129.5 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | | | trans | -106.9 | 123.3 | 159.7 | -108.6 | -90.4 | 0 | 0 | 0 | 109.3 | | |
| 507 | T | 36.4 | Very low | 33.9 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -128.2 | 97.7 | 170.1 | 38.2 | 0 | 0 | 0 | 0 | 112 | V505 | V505-T507 HydrophobicContact CG1-CG2 3.79Š|
| 508 | S | 28.9 | Very low | 33.6 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -136.4 | 143.6 | 153.2 | -69.3 | 0 | 0 | 0 | 0 | 104.1 | | |
| 509 | P | 36.7 | Very low | 33.7 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | | -158.3 | -174.1 | 71.2 | 44.4 | -24.2 | 0 | 0 | 0 | 117 | | |
| 510 | S | 33.5 | Very low | 33.4 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | 54.8 | 129.2 | 143.6 | -146.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 511 | V | 30.1 | Very low | 33.5 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -67 | 138.8 | 152.9 | 179.6 | 0 | 0 | 0 | 0 | 110 | | |
| 512 | V | 34.9 | Very low | 33.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -142.3 | 139.9 | 152.3 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 513 | T | 30.1 | Very low | 33.4 | Very low | 104 Ų | 104 | 140 Ų | 140 | 64% | 0.638 | 78% | 0.779 | S | S | * | * | | | trans | -107.7 | 133.2 | 176.4 | 49.8 | 0 | 0 | 0 | 0 | 111 | | |
| 514 | N | 30.3 | Very low | 33.5 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | | 171.2 | 159 | 127.8 | -95.2 | -20.9 | 0 | 0 | 0 | 117 | | |
| 515 | T | 33.8 | Very low | 34 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 52.3 | 103.1 | 147.6 | 53.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 516 | V | 29.9 | Very low | 34.4 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | | | trans | -12.9 | 129.1 | 137 | -178 | 0 | 0 | 0 | 0 | 116.8 | | |
| 517 | Y | 34.2 | Very low | 35 | Very low | 233 Ų | 233 | 134.9 Ų | 134.9 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | | | trans | -156.9 | 156 | 131.7 | -112.1 | -75.1 | 0 | 0 | 0 | 109.9 | | |
| 518 | S | 31.9 | Very low | 35.3 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -137.7 | 147.5 | -175.8 | 55.1 | 0 | 0 | 0 | 0 | 113 | | |
| 519 | R | 34.5 | Very low | 35.8 | Very low | 241 Ų | 241 | 138.7 Ų | 138.7 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | -174 | 152.3 | 157.7 | -99.3 | 149.7 | -151.4 | -86.1 | 1.3 | 109.7 | | |
| 520 | S | 31.1 | Very low | 36 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -113 | 161.2 | 175.2 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 521 | L | 39.5 | Very low | 36.2 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | | 170.4 | 156.2 | 118.7 | -91.2 | 166.8 | 0 | 0 | 0 | 113.7 | | |
| 522 | S | 37.8 | Very low | 36.6 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | | | trans | 52.3 | 111.4 | 152.4 | 58.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 523 | D | 36.6 | Very low | 36.6 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | | 40.1 | 131.4 | 110.2 | -35.6 | -38.1 | 0 | 0 | 0 | 120.7 | | |
| 524 | L | 40.6 | Very low | 36.9 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | | 178.7 | 103.5 | 110.3 | -170.3 | 68.7 | 0 | 0 | 0 | 114 | | |
| 525 | D | 40.3 | Very low | 37 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | 51.6 | 167.2 | 130.9 | -147.3 | 8.5 | 0 | 0 | 0 | 124.8 | | |
| 526 | I | 43.4 | Very low | 36.9 | Very low | 151 Ų | 151 | 137 Ų | 137 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | trans | 82.2 | 129.2 | 164.6 | -52.6 | 163.1 | 0 | 0 | 0 | 117.6 | | |
| 527 | G | 39.8 | Very low | 37 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 157.5 | 35.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 528 | H | 43.3 | Very low | 36.6 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | | | trans | 9.7 | 131.1 | 161.8 | -81.1 | -86.6 | 0 | 0 | 0 | 123.5 | | |
| 529 | D | 39.9 | Very low | 36.5 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | 62 | 124.1 | 135.7 | -51.1 | -25.5 | 0 | 0 | 0 | 122.4 | | |
| 530 | G | 40.1 | Very low | 36.2 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 171.5 | 111.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 531 | D | 37.7 | Very low | 36.3 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | -64 | 136 | -171.9 | -64.4 | -72.8 | 0 | 0 | 0 | 114.2 | | |
| 532 | V | 38.7 | Very low | 36 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | | | | -177.8 | 141 | 96.4 | 155 | 0 | 0 | 0 | 0 | 110.9 | | |
| 533 | L | 34.2 | Very low | 35.9 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | | | trans | -36.4 | 145.3 | 171.6 | -55 | 170.8 | 0 | 0 | 0 | 115.3 | | |
| 534 | A | 37 | Very low | 35.9 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | | | cis | -145.9 | 154.5 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 535 | T | 31.9 | Very low | 35.4 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | | | trans | -34.1 | 137.6 | 164.3 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 536 | G | 32.3 | Very low | 35.3 | Very low | 65 Ų | 65 | 117.1 Ų | 117.1 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | | | cis | 107.1 | 154.7 | 32.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 537 | I | 33.2 | Very low | 34.8 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | | | cis | -154.6 | 131.4 | 3 | 18.2 | 171.8 | 0 | 0 | 0 | 109.2 | | |
| 538 | C | 25.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 120 Ų | 120 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -106.7 | 92 | 165.2 | -76.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 539 | S | 28.4 | Very low | 33.8 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -162.6 | 125.4 | 160.8 | -81.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 540 | V | 29.6 | Very low | 33.5 | Very low | 38 Ų | 38 | 116.3 Ų | 116.3 | 23% | 0.23 | 73% | 0.73 | C | S | . | * | | | cis | 99.6 | 37.2 | 14.1 | -37.1 | 0 | 0 | 0 | 0 | 119.2 | T803 T804 Q805 | V540-T803 HydrophobicContact CG2-CG2 4.41Å; V540-T804 HydrophobicContact CB-CG2 3.78Å; V540-T804 WeakPolarHBondContact CG1-O 3.36Å; V540-T804 HydrophobicContact CG2-CG2 3.33Å; V540-Q805 PolarHBondContact O-NE2 2.83Å |
| 541 | L | 31.7 | Very low | 33 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | -48.5 | 158.1 | 165.3 | -56.5 | 171.4 | 0 | 0 | 0 | 116.2 | Q805 | L541-Q805 WeakPolarHBondContact O-CB 3.34Å; L541-Q805 VanDerWaalsContact O-CG 3.25Å; L541-Q805 WeakPolarHBondContact O-CG 3.38Å; L541-Q805 PolarHBondContact O-NE2 2.85Å |
| 542 | S | 34.4 | Very low | 32.8 | Very low | 73 Ų | 73 | 119 Ų | 119 | 51% | 0.51 | 73% | 0.729 | S | S | . | * | | | trans | -130 | 168.8 | -163.2 | -155.7 | 0 | 0 | 0 | 0 | 120.3 | Q805 | S542-Q805 PolarHBondContact OG-NE2 3.15Å; S542-Q805 PolarHBondContact OG-OE1 3.3Å |
| 543 | G | 34.7 | Very low | 32.4 | Very low | 38 Ų | 38 | 118 Ų | 118 | 39% | 0.392 | 72% | 0.719 | S | S | . | * | | | trans | 130.5 | 132.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 544 | N | 36 | Very low | 32.4 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | | | cis | 114.2 | 105.1 | 18.2 | -82.3 | -27.5 | 0 | 0 | 0 | 113.5 | | |
| 545 | N | 31.9 | Very low | 32 | Very low | 155 Ų | 155 | 116 Ų | 116 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | | | trans | 10.4 | 155.1 | 140 | -106.1 | -21.4 | 0 | 0 | 0 | 120.6 | | |
| 546 | P | 38.2 | Very low | 32.2 | Very low | 95 Ų | 95 | 117 Ų | 117 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | | | cis | -143.5 | -163.2 | 15.2 | 41.3 | -19.4 | 0 | 0 | 0 | 116.3 | | |
| 547 | Q | 32 | Very low | 32.1 | Very low | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | | | trans | 74.7 | 118.6 | 157.7 | -72.1 | 174.7 | -45.4 | 0 | 0 | 120.5 | | |
| 548 | S | 30.6 | Very low | 32.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | 76 | 146.1 | 140 | 80 | 0 | 0 | 0 | 0 | 121.1 | | |
| 549 | L | 30.9 | Very low | 32.3 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 88% | 0.88 | 70% | 0.696 | S | S | * | * | | | trans | 58.4 | 152 | 159 | -89.4 | 69.2 | 0 | 0 | 0 | 119.8 | | |
| 550 | G | 35.2 | Very low | 32.4 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | trans | 76.4 | 111.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 551 | E | 29 | Very low | 32.3 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | | | cis | 53.9 | 133.7 | 26 | -66.2 | -155.8 | 138.3 | 0 | 0 | 115.5 | | |
| 552 | S | 33 | Very low | 32.2 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | trans | 68 | 153 | 169.5 | 75.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 553 | N | 31.5 | Very low | 32 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 60% | 0.599 | 74% | 0.74 | S | S | * | * | | | cis | -176.2 | 170.4 | -43.6 | -116.6 | -47.4 | 0 | 0 | 0 | 107.7 | | |
| 554 | Q | 33.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | 57.8 | 94 | 145.7 | -75.6 | 163.2 | 52.5 | 0 | 0 | 119.1 | | |
| 555 | S | 28.8 | Very low | 31.5 | Very low | 59 Ų | 59 | 137.1 Ų | 137.1 | 41% | 0.413 | 76% | 0.757 | S | S | . | * | | | | 63.2 | 138.3 | 105.9 | 68.8 | 0 | 0 | 0 | 0 | 120.4 | H811 | S555-H811 PolarHBondContact N-NE2 2.78Š|
| 556 | L | 35.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | | -138.6 | 146.9 | 111.4 | -138.5 | 70.3 | 0 | 0 | 0 | 111.1 | | |
| 557 | E | 31.4 | Very low | 31.1 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -76.4 | 154.7 | 168.1 | -63.2 | 163.4 | 111 | 0 | 0 | 109.8 | | |
| 558 | N | 33.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -155.5 | 110.6 | 146.7 | -106.9 | -33.1 | 0 | 0 | 0 | 111.3 | | |
| 559 | T | 27.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | | | trans | -67.9 | 134.2 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 560 | Y | 30.8 | Very low | 31.4 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | trans | -139.2 | 145.8 | 152.2 | -105 | -81.2 | 0 | 0 | 0 | 111.3 | | |
| 561 | V | 27.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -102.3 | 127.8 | -170.6 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 562 | V | 30.8 | Very low | 31.4 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | | | trans | -138.5 | 146.3 | 162.1 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 563 | N | 29.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | -55.2 | 158.8 | -169.3 | -59.8 | -29.1 | 0 | 0 | 0 | 116.7 | | |
| 564 | N | 26.3 | Very low | 31.4 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | | | trans | -61.5 | 135.3 | 148.3 | -66.9 | -27.8 | 0 | 0 | 0 | 109.4 | | |
| 565 | S | 33.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | -148.3 | 148 | 167.5 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 566 | E | 29.3 | Very low | 31.8 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -54.9 | 141.5 | -169.6 | -62.6 | 98.9 | 173.8 | 0 | 0 | 114.5 | | |
| 567 | L | 33.1 | Very low | 31.8 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | trans | -133.8 | 72.1 | 159.9 | -99.2 | 172 | 0 | 0 | 0 | 109.7 | I569 | L567-I569 PolarHBondContact O-N 3.27Š|
| 568 | E | 31.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | trans | -70.9 | 105.5 | 166.3 | -66.8 | -174.8 | 117.6 | 0 | 0 | 110.2 | H570 | E568-H570 PolarHBondContact O-N 3.2Å; E568-H570 VanDerWaalsContact O-N 3.12Å; E568-H570 PolarHBondContact O-ND1 2.92Å; E568-H570 IonicContact OE2-CE1 3.37Å; E568-H570 PolarHBondContact OE2-CE1 3.29Å |
| 569 | I | 35.3 | Very low | 32 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -77.9 | 99.7 | 167.5 | -60 | -177.6 | 0 | 0 | 0 | 108.3 | L567 | L567-I569 PolarHBondContact O-N 3.27Š|
| 570 | H | 33 | Very low | 32.3 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 62% | 0.616 | 77% | 0.771 | S | S | * | * | | | trans | -73.9 | 150.5 | 179.3 | -85.4 | 66.5 | 0 | 0 | 0 | 113.4 | E568 | E568-H570 PolarHBondContact O-N 3.2Å; E568-H570 VanDerWaalsContact O-N 3.12Å; E568-H570 PolarHBondContact O-ND1 2.92Å; E568-H570 IonicContact OE2-CE1 3.37Å; E568-H570 PolarHBondContact OE2-CE1 3.29Å |
| 571 | S | 28.7 | Very low | 32.5 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 69.6 | 159 | 157.6 | -54.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 572 | I | 34.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | cis | -135.3 | 165.7 | 11.6 | -18 | -176.7 | 0 | 0 | 0 | 111.5 | | |
| 573 | S | 31.2 | Very low | 32.9 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 52% | 0.524 | 77% | 0.774 | S | S | . | * | | | trans | -38.2 | 162.3 | 175.8 | -46.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 574 | D | 33.6 | Very low | 33.1 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | cis | -142.3 | 132 | 42.2 | -67.4 | -47.8 | 0 | 0 | 0 | 112.1 | | |
| 575 | H | 36.2 | Very low | 33.3 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | | 89.3 | 143 | 61.9 | -87.5 | 76 | 0 | 0 | 0 | 115.7 | | |
| 576 | S | 33.6 | Very low | 33.3 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | 72 | 133.8 | -171.5 | 84 | 0 | 0 | 0 | 0 | 115.5 | | |
| 577 | H | 36.5 | Very low | 33.2 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | cis | -126.1 | 157.7 | -9.2 | -85 | -79.3 | 0 | 0 | 0 | 111.5 | | |
| 578 | Q | 33 | Very low | 33 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -81.4 | 152.2 | -178.2 | -58.5 | 168.9 | -0.8 | 0 | 0 | 112.9 | | |
| 579 | I | 35.6 | Very low | 33 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | | -160.2 | 142.6 | 123.5 | -99 | 153.8 | 0 | 0 | 0 | 107.9 | | |
| 580 | L | 33.9 | Very low | 32.5 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | | | trans | -91.4 | 141.8 | -165.2 | -65.9 | 71.6 | 0 | 0 | 0 | 112.9 | | |
| 581 | S | 35.5 | Very low | 32.5 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | | -159.3 | 139 | 128.6 | -164.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 582 | S | 33.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -109.4 | 136.9 | -167.5 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 583 | G | 34.1 | Very low | 32.3 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -170.6 | 108.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 584 | S | 32.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 130.9 | -174.1 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 585 | P | 32.2 | Very low | 32.4 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 118.7 | 168.2 | 33 | -29.3 | 0 | 0 | 0 | 111.1 | | |
| 586 | L | 32.5 | Very low | 32 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135.3 | 168.1 | -75.4 | 165 | 0 | 0 | 0 | 110.5 | | |
| 587 | A | 26.5 | Very low | 31.9 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | trans | -134.1 | 121 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 588 | L | 30.1 | Very low | 31.7 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -139.5 | 128.7 | 170.3 | -78.3 | 179.8 | 0 | 0 | 0 | 112.3 | | |
| 589 | T | 31.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | 51.8 | 107.1 | 147.6 | 59 | 0 | 0 | 0 | 0 | 119.7 | | |
| 590 | S | 24.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -71.8 | 143.7 | 149.1 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 591 | I | 32.2 | Very low | 31.5 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | trans | -127.3 | 132.4 | 159.8 | 40.2 | 172.7 | 0 | 0 | 0 | 108.8 | | |
| 592 | S | 29.4 | Very low | 31.3 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -118.2 | 145.3 | -174.9 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 593 | S | 30.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | 58.4 | 145 | 176.7 | 59 | 0 | 0 | 0 | 0 | 115.7 | | |
| 594 | V | 33.2 | Very low | 31.7 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | | | | -172.6 | 140.4 | 80 | 153.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 595 | N | 33.5 | Very low | 31.8 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 62.1 | 149.6 | 158.3 | -66.5 | -11 | 0 | 0 | 0 | 124.2 | | |
| 596 | Q | 28.1 | Very low | 32 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -66.8 | 153.4 | 176.2 | -50.2 | 155.3 | 24.1 | 0 | 0 | 113.1 | | |
| 597 | V | 31.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | | | | -177.2 | 137.8 | 118.2 | 144.9 | 0 | 0 | 0 | 0 | 109.4 | V599 | V597-V599 HydrophobicContact CG1-CG2 4.4Š|
| 598 | P | 33 | Very low | 32.9 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -100.3 | 132.2 | 179.5 | 35.8 | -30.6 | 0 | 0 | 0 | 113.5 | | |
| 599 | V | 34.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -143.9 | 130.3 | 167 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | V597 I601 | V597-V599 HydrophobicContact CG1-CG2 4.4Å; V599-I601 HydrophobicContact CG1-CD1 4.27Å |
| 600 | C | 29.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | -93.8 | 142.1 | 165.6 | -59 | 0 | 0 | 0 | 0 | 109.4 | | |
| 601 | I | 32.9 | Very low | 33.7 | Very low | 149 Ų | 149 | 129 Ų | 129 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -158.7 | 127.9 | 160.3 | -105 | 145.8 | 0 | 0 | 0 | 111.4 | V599 | V599-I601 HydrophobicContact CG1-CD1 4.27Š|
| 602 | D | 32.5 | Very low | 33.7 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | trans | 46.3 | 111.6 | 152.5 | -71.9 | -68.3 | 0 | 0 | 0 | 127 | | |
| 603 | S | 32 | Very low | 33.9 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | | 68.7 | 178.5 | 103.3 | -54.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 604 | P | 43.3 | Very low | 34 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | | -136.5 | 164 | -65.9 | 40.1 | -26.3 | 0 | 0 | 0 | 115.6 | | |
| 605 | N | 35.4 | Very low | 34.2 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | 175 | 124.1 | 139.6 | -94.8 | -46.7 | 0 | 0 | 0 | 109.3 | | |
| 606 | V | 35.8 | Very low | 34.4 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | | | | 96.3 | 109.2 | 56.8 | 164 | 0 | 0 | 0 | 0 | 113.2 | | |
| 607 | S | 38.5 | Very low | 34.9 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | -174.9 | 107.6 | 131.9 | -176.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 608 | K | 38.5 | Very low | 35.4 | Very low | 196 Ų | 196 | 125.5 Ų | 125.5 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | | | trans | 31.3 | 130.9 | 134.1 | -51.3 | 163.1 | -174.1 | 173.5 | 0 | 119.2 | | |
| 609 | G | 37.4 | Very low | 35.8 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | cis | 153.8 | 171.3 | -3.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 610 | N | 33.5 | Very low | 35.8 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | 74 | 148.6 | 159.8 | -55 | 5.7 | 0 | 0 | 0 | 118.8 | | |
| 611 | T | 32.6 | Very low | 36.2 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | cis | -168.6 | 153.7 | -16.5 | -87.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 612 | T | 32.4 | Very low | 36.3 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | trans | 71.8 | 133.4 | 160.6 | 43.1 | 0 | 0 | 0 | 0 | 125.2 | | |
| 613 | V | 33.1 | Very low | 36.4 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | trans | 56.9 | 147 | 144.9 | -54.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 614 | S | 33.3 | Very low | 36.5 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | cis | -162.8 | 161.7 | 4.7 | -128.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 615 | S | 37.3 | Very low | 36 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | | | trans | 59.9 | 142.4 | 164.3 | -55.8 | 0 | 0 | 0 | 0 | 118 | | |
| 616 | G | 38.1 | Very low | 35.8 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | | | cis | 142.1 | 141.2 | 9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 617 | L | 38.1 | Very low | 35.9 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | | | cis | -145.3 | 169.5 | 12 | -83.7 | 160.8 | 0 | 0 | 0 | 111.8 | | |
| 618 | L | 41.1 | Very low | 35.6 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | -84.8 | -158.9 | 173.7 | -61.1 | 168.3 | 0 | 0 | 0 | 110 | | |
| 619 | P | 42.8 | Very low | 35.4 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | cis | -132.4 | -168.7 | -12.3 | 18.5 | 9 | 0 | 0 | 0 | 113.3 | | |
| 620 | S | 34.6 | Very low | 35.2 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | cis | 174.2 | -174.4 | -35.7 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 621 | L | 38.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 128 Ų | 128 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | 77.1 | 147.5 | 157.8 | -56.5 | -171.4 | 0 | 0 | 0 | 119.7 | | |
| 622 | L | 35 | Very low | 35.2 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 67% | 0.665 | 77% | 0.77 | S | S | * | * | | | cis | -171.1 | 122.4 | -19.9 | -175.1 | 68.3 | 0 | 0 | 0 | 112.7 | | |
| 623 | T | 33.2 | Very low | 35.1 | Very low | 103 Ų | 103 | 130 Ų | 130 | 63% | 0.632 | 77% | 0.771 | S | S | * | * | | | trans | 62.1 | 176.9 | 153.3 | 70.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 624 | Q | 35.4 | Very low | 35 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | cis | -146.9 | 167.6 | -0.1 | -141.7 | 155.9 | 103.1 | 0 | 0 | 114.4 | | |
| 625 | S | 30.9 | Very low | 35 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | | | trans | -31.1 | 139.6 | 174.2 | 57 | 0 | 0 | 0 | 0 | 121.6 | | |
| 626 | T | 33 | Very low | 34.8 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | | 45.5 | 111.4 | 117.7 | -40.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 627 | T | 36.3 | Very low | 34.8 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | -178.5 | 133.1 | 113.2 | 23.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 628 | R | 32.5 | Very low | 34.6 | Very low | 240 Ų | 240 | 136.8 Ų | 136.8 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | 52.4 | 148.5 | 151.7 | -68.2 | -173.2 | 170.3 | -148.1 | -3.1 | 121.9 | | |
| 629 | P | 35 | Very low | 34.2 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -103.8 | 141.6 | 177.5 | 38 | -31.5 | 0 | 0 | 0 | 114.4 | | |
| 630 | V | 33.8 | Very low | 33.9 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | | | trans | -144.8 | 148.3 | 156.5 | -177.1 | 0 | 0 | 0 | 0 | 109 | | |
| 631 | S | 30.1 | Very low | 33.7 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -82.8 | 147.2 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 632 | V | 34.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | | | trans | -144.3 | 157.5 | 141.4 | 171.9 | 0 | 0 | 0 | 0 | 109 | | |
| 633 | V | 30.8 | Very low | 33.5 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | -99 | 174.7 | -173.3 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 634 | Q | 31.8 | Very low | 33.5 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | 77.8 | 150 | 166.4 | -100.6 | 153.7 | -83.5 | 0 | 0 | 116.1 | | |
| 635 | Q | 32.7 | Very low | 33.7 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | cis | -155.2 | 154.7 | -0.9 | -154.6 | 157.2 | 22.3 | 0 | 0 | 109.6 | | |
| 636 | P | 33 | Very low | 33.7 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -88.6 | 153.2 | -179.9 | 34.5 | -35.5 | 0 | 0 | 0 | 114.1 | | |
| 637 | I | 37.8 | Very low | 33.9 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -129 | 142.9 | 174.7 | -63 | -178.9 | 0 | 0 | 0 | 110.9 | | |
| 638 | I | 33.8 | Very low | 33.9 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -116 | 144.1 | -174.7 | -60.5 | 163.4 | 0 | 0 | 0 | 110 | | |
| 639 | S | 33.2 | Very low | 33.9 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | 152.2 | 144.9 | 141.6 | -71.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 640 | R | 35.9 | Very low | 33.8 | Very low | 233 Ų | 233 | 144.9 Ų | 144.9 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | | -156.1 | 165.9 | 54.3 | -74.7 | 173.9 | -179 | 176.3 | 0.5 | 111.8 | | |
| 641 | V | 29.8 | Very low | 33.7 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | -123 | 146.1 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | M643 | V641-M643 HydrophobicContact CG1-CG 4.43Š|
| 642 | F | 35.1 | Very low | 34.1 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | | | trans | -130.3 | 153.2 | 159.7 | -89.3 | -84.7 | 0 | 0 | 0 | 110.1 | | |
| 643 | M | 33.8 | Very low | 34.1 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | -115.7 | 166.5 | -167.4 | -71.4 | -112.9 | 66.8 | 0 | 0 | 113.1 | V641 | V641-M643 HydrophobicContact CG1-CG 4.43Š|
| 644 | A | 34.4 | Very low | 34.6 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | | | trans | -82.1 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 645 | P | 38.5 | Very low | 34.7 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | | -130.1 | 172.9 | 127 | 37.4 | -29.2 | 0 | 0 | 0 | 114.5 | | |
| 646 | N | 31.1 | Very low | 34.7 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -105.2 | 162.2 | -171.6 | -53.7 | -63.3 | 0 | 0 | 0 | 113.6 | | |
| 647 | T | 38 | Very low | 35 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | 172.9 | 172.4 | 142.8 | 34.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 648 | T | 35.4 | Very low | 34.9 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | | -152.2 | 116 | -58.1 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 649 | R | 32.4 | Very low | 34.9 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 29.4 | 125.6 | 145.7 | -158.4 | 176.3 | -162.4 | -116.1 | 5.7 | 124.9 | | |
| 650 | S | 33.4 | Very low | 35 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -163.1 | 154.9 | 156.7 | 61.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 651 | I | 31.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | | | cis | 80.4 | 130.9 | -1.8 | -50.3 | 179.7 | 0 | 0 | 0 | 114.5 | | |
| 652 | T | 38.5 | Very low | 35.1 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | cis | -125.3 | 139.6 | 27.1 | 31.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 653 | T | 34.4 | Very low | 35.3 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | | 75.9 | 150 | 84.7 | 58.7 | 0 | 0 | 0 | 0 | 118 | | |
| 654 | P | 41 | Very low | 35.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -122.8 | -172.7 | -142.9 | 45.6 | -35.9 | 0 | 0 | 0 | 116.8 | | |
| 655 | V | 34.5 | Very low | 35.3 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | -164 | 174.4 | 147.9 | 128.7 | 0 | 0 | 0 | 0 | 114 | | |
| 656 | T | 33.3 | Very low | 35.1 | Very low | 133 Ų | 133 | 131 Ų | 131 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | | | trans | -88.2 | 178.9 | -149.7 | 22.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 657 | K | 39.9 | Very low | 35.5 | Very low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | trans | -87.5 | -179.2 | 174.3 | -51.5 | 173.1 | -176 | 173 | 0 | 112.6 | | |
| 658 | P | 34.4 | Very low | 35.4 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | | -143.1 | -176.1 | 100.6 | 38.8 | -24.5 | 0 | 0 | 0 | 116 | | |
| 659 | V | 34.8 | Very low | 35.4 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | trans | -143.1 | 144.6 | -178.5 | 172.8 | 0 | 0 | 0 | 0 | 110 | | |
| 660 | M | 33.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 60% | 0.596 | 74% | 0.744 | S | S | * | * | | | trans | -147 | 166.1 | 162.4 | -79.2 | -147.8 | 81.7 | 0 | 0 | 111.9 | Q411 Q412 | Q411-M660 HydrophobicContact CG-SD 4.19Å; Q412-M660 VanDerWaalsContact CD-SD 3.55Å; Q412-M660 HydrophobicContact CG-SD 3.98Å; Q412-M660 PolarHBondContact OE1-SD 3.4Å |
| 661 | S | 31.8 | Very low | 35.7 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | trans | -161.8 | 150.5 | -157.5 | 58.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 662 | V | 36.2 | Very low | 35.7 | Very low | 132 Ų | 132 | 125 Ų | 125 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | 70.5 | 167.7 | 147.2 | 165.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 663 | P | 40 | Very low | 35.8 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | | | cis | -105.6 | -143 | -2.1 | 7.6 | 20.5 | 0 | 0 | 0 | 114.3 | | |
| 664 | H | 35.4 | Very low | 36.1 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | | | cis | -161.8 | 158 | 12.6 | -137.5 | -67.5 | 0 | 0 | 0 | 113.7 | | |
| 665 | S | 33.2 | Very low | 36 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | | | trans | 63.2 | 151.6 | 150.3 | -83.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 666 | T | 34.7 | Very low | 36.3 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | cis | -160.4 | -175.1 | -14.9 | 5.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 667 | L | 38.9 | Very low | 36.6 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 82.3 | 115.7 | 170.5 | -54.9 | 174.8 | 0 | 0 | 0 | 115.2 | | |
| 668 | T | 35.3 | Very low | 36.6 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | | 72.4 | 142.1 | 68.1 | 63.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 669 | S | 34.8 | Very low | 36.8 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | cis | -152.7 | 171.5 | 13.4 | -150.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 670 | V | 38 | Very low | 36.9 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | | | trans | -23.1 | 141.7 | 160.8 | -176.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 671 | S | 35.2 | Very low | 37.1 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | | -168.9 | 167.5 | 65.4 | -157.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 672 | S | 31.9 | Very low | 37.2 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -151.4 | 126.6 | 169.2 | -178 | 0 | 0 | 0 | 0 | 111.4 | | |
| 673 | R | 41 | Very low | 37.1 | Very low | 251 Ų | 251 | 154.2 Ų | 154.2 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | | | trans | -90.3 | 150.4 | 174.6 | -75.6 | -170.8 | 174 | -160.4 | -0.7 | 111.7 | | |
| 674 | R | 40.3 | Very low | 36.9 | Very low | 241 Ų | 241 | 153.1 Ų | 153.1 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -110 | 159 | -167.8 | -56.8 | 159.8 | 79.5 | -167.5 | 6.9 | 111.4 | | |
| 675 | R | 39.5 | Very low | 36.7 | Very low | 246 Ų | 246 | 151.3 Ų | 151.3 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | | | trans | -127.2 | 144.8 | 147.2 | -90.2 | -170.1 | 170.2 | -168.3 | -2.6 | 109.6 | | |
| 676 | P | 39.1 | Very low | 36.8 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | | | trans | -95.4 | 169.3 | -177.6 | 38 | -35.4 | 0 | 0 | 0 | 113 | | |
| 677 | T | 39.8 | Very low | 36.7 | Very low | 144 Ų | 144 | 154.8 Ų | 154.8 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -128.6 | 144.1 | 163.5 | 43.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 678 | I | 39.8 | Very low | 36.5 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | | | trans | -85.3 | 142.8 | -171.9 | -60.9 | 164.3 | 0 | 0 | 0 | 110.2 | | |
| 679 | L | 39.5 | Very low | 36.4 | Very low | 154 Ų | 154 | 153 Ų | 153 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | | | trans | -118.3 | 104.6 | -177.9 | -145.5 | 151 | 0 | 0 | 0 | 110.3 | | |
| 680 | K | 37.6 | Very low | 36.4 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | trans | -73.9 | 139.4 | 170.7 | -70.7 | -173.7 | 176.8 | -176.3 | 0 | 110.4 | | |
| 681 | R | 37.3 | Very low | 36.2 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -176.2 | 118.6 | 130.5 | -103.6 | -175.6 | -56.6 | 146.8 | 9.9 | 112.5 | | |
| 682 | T | 34.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | | 53.3 | 135.8 | 128.2 | -37.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 683 | L | 33.8 | Very low | 36.3 | Very low | 167 Ų | 167 | 151 Ų | 151 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -57.8 | 156 | -179.1 | -65.9 | 64.5 | 0 | 0 | 0 | 114.3 | | |
| 684 | G | 34.8 | Very low | 35.9 | Very low | 82 Ų | 82 | 146.4 Ų | 146.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 178.5 | 90.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 685 | T | 31.7 | Very low | 35.7 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | trans | -84.5 | 131.6 | -168.2 | -41.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 686 | V | 35.4 | Very low | 35.5 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | | | trans | -164.4 | 154.7 | 141.8 | -102.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 687 | N | 33.1 | Very low | 35.3 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | -108.2 | -166.9 | -167.9 | -64.7 | -11.9 | 0 | 0 | 0 | 113.6 | | |
| 688 | S | 34.3 | Very low | 34.9 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | 92.9 | 105.7 | 175.8 | -54.3 | 0 | 0 | 0 | 0 | 114 | | |
| 689 | T | 33.2 | Very low | 34.6 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | cis | 90.7 | 101.6 | 20.7 | -45.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 690 | T | 35.2 | Very low | 34.4 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | -177.3 | 134 | 143.4 | 40.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 691 | S | 33.9 | Very low | 34.2 | Very low | 64 Ų | 64 | 129 Ų | 129 | 45% | 0.448 | 75% | 0.754 | S | S | . | * | | | cis | 123 | 119.4 | 2.5 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 692 | N | 35.5 | Very low | 34.1 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | 147.9 | 112 | 159.6 | -78.1 | -8.9 | 0 | 0 | 0 | 107.9 | S204 | S204-N692 PolarHBondContact OG-N 3.4Š|
| 693 | S | 32.8 | Very low | 34.3 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 57% | 0.573 | 76% | 0.759 | S | S | * | * | | | cis | 92.9 | 106 | 35.1 | -168.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 694 | L | 33.3 | Very low | 34.4 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | | | | -172.3 | 122.5 | 125.9 | -110.6 | 76.3 | 0 | 0 | 0 | 105.6 | | |
| 695 | V | 35.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | | 68.7 | 121.2 | 78.1 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 696 | T | 35.7 | Very low | 34.6 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | | | cis | -139.2 | 160.8 | 44.3 | 51.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 697 | S | 35.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | 35.6 | 110.1 | 148.9 | 58.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 698 | R | 31.1 | Very low | 34.9 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | | | cis | 75.6 | 116.8 | 41.1 | -155.4 | -177.2 | -162.3 | 158.2 | 8.9 | 114.4 | D208 | D208-R698 IonicContact OD2-CZ 3.53Å; D208-R698 IonicContact OD2-NH1 3.07Å; D208-R698 PolarHBondContact OD2-NH1 2.82Å; D208-R698 IonicContact OD2-NH2 3.39Å; D208-R698 PolarHBondContact OD2-NH2 2.87Å; D208-R698 VanDerWaalsContact OD2-NH2 3.07Å |
| 699 | P | 32.4 | Very low | 35.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | trans | -94.2 | 174.6 | 174.9 | 39.1 | -35.6 | 0 | 0 | 0 | 112.7 | | |
| 700 | T | 35.6 | Very low | 35.3 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | trans | -133.3 | 134.5 | 173 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 701 | V | 34 | Very low | 35.4 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | trans | -99.2 | 158 | 171.6 | 175 | 0 | 0 | 0 | 0 | 108.4 | | |
| 702 | F | 35.6 | Very low | 35.2 | Very low | 204 Ų | 204 | 136 Ų | 136 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -127.1 | 138.5 | 155.3 | -102.3 | -83.2 | 0 | 0 | 0 | 110.5 | | |
| 703 | E | 37.3 | Very low | 35.2 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -97.9 | 173.4 | -179.5 | -59.9 | 170.8 | 115.7 | 0 | 0 | 111.2 | | |
| 704 | T | 36.5 | Very low | 34.9 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | 130.8 | 89 | 153.5 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 705 | S | 33 | Very low | 34.9 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | | 86 | 113 | 68.3 | 68 | 0 | 0 | 0 | 0 | 112.4 | | |
| 706 | D | 37.1 | Very low | 34.6 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -150.4 | 169.3 | 131.6 | -126.5 | -39.9 | 0 | 0 | 0 | 110.5 | | |
| 707 | N | 37.4 | Very low | 34.4 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -88.2 | 138.7 | -155.6 | -62.5 | -95.6 | 0 | 0 | 0 | 114 | | |
| 708 | D | 38 | Very low | 34.2 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | -152.5 | 161.4 | 135.8 | -134.5 | -27.1 | 0 | 0 | 0 | 113.4 | | |
| 709 | V | 40.6 | Very low | 34 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | trans | -77.3 | 129.1 | -163.1 | 175.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 710 | D | 35.1 | Very low | 34 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | | -172.4 | 169.5 | 103.8 | -135.8 | -30.7 | 0 | 0 | 0 | 114.9 | | |
| 711 | L | 37.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | -72.4 | 139.6 | -174.5 | -81.6 | 62.2 | 0 | 0 | 0 | 112.2 | | |
| 712 | S | 31 | Very low | 33.6 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | 53.7 | 128.7 | 70.5 | -74.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 713 | T | 34 | Very low | 33.5 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | cis | -155.2 | 154.1 | 2.1 | 24.4 | 0 | 0 | 0 | 0 | 110.6 | S715 | T713-S715 PolarHBondContact O-N 2.92Š|
| 714 | S | 27.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | | | trans | -76 | 118.1 | 158.5 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 715 | S | 33.6 | Very low | 32.9 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 50% | 0.497 | 77% | 0.772 | S | S | . | * | | | trans | -133.1 | 91.1 | 176.6 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | T713 R717 | T713-S715 PolarHBondContact O-N 2.92Å; S715-R717 PolarHBondContact O-N 2.87Å; S715-R717 PolarHBondContact OG-NE 2.89Å |
| 716 | S | 29.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -67.1 | 121.6 | 168.2 | 42.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 717 | R | 31.5 | Very low | 32.8 | Very low | 216 Ų | 216 | 132.3 Ų | 132.3 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | trans | -127.1 | 142.9 | 173.7 | -63 | -170.2 | -162.3 | 175.2 | 6.7 | 112.9 | S715 | S715-R717 PolarHBondContact O-N 2.87Å; S715-R717 PolarHBondContact OG-NE 2.89Å |
| 718 | N | 31 | Very low | 32.7 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 148.4 | -168.3 | -60.4 | -45.7 | 0 | 0 | 0 | 115.5 | S720 | N718-S720 PolarHBondContact O-N 3.44Š|
| 719 | I | 27 | Very low | 32.5 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117.8 | 159.5 | -60.2 | 167.5 | 0 | 0 | 0 | 107.9 | V721 | I719-V721 HydrophobicContact CG2-CG2 4.41Š|
| 720 | S | 31.8 | Very low | 32.2 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 136.4 | 161.3 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | N718 F722 | N718-S720 PolarHBondContact O-N 3.44Å; S720-F722 WeakPolarHBondContact OG-CD2 3.27Å; S720-F722 WeakPolarHBondContact OG-CE2 3.44Å |
| 721 | V | 28.3 | Very low | 31.9 | Very low | 127 Ų | 127 | 134 Ų | 134 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -103 | 101.6 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | I719 | I719-V721 HydrophobicContact CG2-CG2 4.41Š|
| 722 | F | 32.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -89.1 | 125 | 174.7 | -94.8 | -77 | 0 | 0 | 0 | 111.6 | S720 | S720-F722 WeakPolarHBondContact OG-CD2 3.27Å; S720-F722 WeakPolarHBondContact OG-CE2 3.44Å |
| 723 | S | 33.7 | Very low | 31.7 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -76.5 | 144.8 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | G725 | S723-G725 PolarHBondContact O-N 3.27Š|
| 724 | P | 29.5 | Very low | 31.8 | Very low | 138 Ų | 138 | 137 Ų | 137 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -73.8 | 115.9 | 170 | 30.4 | -32.3 | 0 | 0 | 0 | 109.9 | | |
| 725 | G | 30.8 | Very low | 31.8 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | 155.8 | 69.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S723 | S723-G725 PolarHBondContact O-N 3.27Š|
| 726 | S | 34.5 | Very low | 31.5 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -152.5 | 89.3 | 161.4 | 59.2 | 0 | 0 | 0 | 0 | 111 | | |
| 727 | T | 34.4 | Very low | 31.6 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | | | trans | -76.1 | 124.8 | 168.6 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 728 | G | 34.7 | Very low | 31.4 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -170.1 | 129 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 729 | Q | 35.1 | Very low | 31.5 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 60.2 | 111 | -175.9 | -55.8 | -172.6 | -0.1 | 0 | 0 | 113.6 | | |
| 730 | L | 33.9 | Very low | 31.7 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | cis | 63.1 | 86.5 | 38.3 | -56.8 | 170.4 | 0 | 0 | 0 | 114.5 | | |
| 731 | Q | 29.3 | Very low | 31.7 | Very low | 202 Ų | 202 | 135.5 Ų | 135.5 | 94% | 0.944 | 79% | 0.787 | S | S | * | * | | | | -108.1 | 144.7 | 125.8 | -76.4 | -173.7 | -17.5 | 0 | 0 | 108.6 | | |
| 732 | K | 33.5 | Very low | 31.8 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -105.6 | 157.9 | 178.3 | -82.8 | -176.8 | 175.4 | -179.3 | 0 | 109.6 | | |
| 733 | P | 30 | Very low | 31.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -65.8 | 152.5 | 172 | 30.1 | -36.2 | 0 | 0 | 0 | 111.5 | | |
| 734 | V | 35.1 | Very low | 31.6 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -101.8 | 142.2 | 168.1 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 735 | S | 27.3 | Very low | 31.8 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | -143.7 | 163.7 | 174.6 | -56.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 736 | S | 29.1 | Very low | 31.7 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 69.4 | 153.3 | -167.3 | 79.2 | 0 | 0 | 0 | 0 | 113 | | |
| 737 | I | 30.3 | Very low | 31.5 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | cis | -125.3 | 167.5 | 21.1 | -71.3 | 176.2 | 0 | 0 | 0 | 112.4 | | |
| 738 | T | 27.8 | Very low | 31.2 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | trans | -41.2 | 164.9 | -179.2 | 60.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 739 | T | 31.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | | -163.2 | 133.7 | 56.8 | -65.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 740 | E | 31.2 | Very low | 30.6 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | 34.7 | 152.3 | 147.9 | -61.9 | 163.9 | -122.6 | 0 | 0 | 121 | | |
| 741 | E | 32.1 | Very low | 30.6 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | cis | -154.1 | 166.3 | 23.9 | -150.8 | -151.7 | 114.9 | 0 | 0 | 113.1 | | |
| 742 | S | 31.5 | Very low | 30.6 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 33.5 | 130.5 | 154 | -69.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 743 | G | 31.9 | Very low | 30.3 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | trans | 147.3 | 99.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 744 | P | 30.2 | Very low | 30.2 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -110 | 92.8 | -175.5 | 37.5 | -29.8 | 0 | 0 | 0 | 116.1 | | |
| 745 | S | 32.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -175.6 | 148.1 | 159.2 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 746 | G | 29.3 | Very low | 30 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | cis | 155.6 | 127.5 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 747 | N | 30.3 | Very low | 29.9 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 70.6 | 116.8 | 178.6 | -60.2 | -17.9 | 0 | 0 | 0 | 115.4 | | |
| 748 | L | 27.4 | Very low | 29.9 | Very low | 157 Ų | 157 | 130 Ų | 130 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | | 73.9 | 130.1 | 81.5 | -69.2 | 166.1 | 0 | 0 | 0 | 112.4 | | |
| 749 | T | 26.6 | Very low | 29.8 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | | | cis | -142.6 | -167.5 | 8.6 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 750 | N | 30.5 | Very low | 29.6 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | 86.3 | 139.7 | 165.6 | -54.2 | -8.1 | 0 | 0 | 0 | 115.7 | | |
| 751 | T | 34.3 | Very low | 29.4 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | cis | -149.8 | 156.4 | -0.4 | 7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 752 | S | 29 | Very low | 29.1 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | 28.5 | 125.9 | 155.5 | -167.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 753 | T | 28.5 | Very low | 28.9 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | | | cis | -152.8 | 112.2 | -5.5 | 12.5 | 0 | 0 | 0 | 0 | 110.2 | L755 | T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 HydrophobicContact CG2-CD1 3.97Å; T753-L755 HydrophobicContact CG2-CG 3.83Å; T753-L755 PolarHBondContact O-N 3.29Å |
| 754 | K | 27.5 | Very low | 28.6 | Very low | 212 Ų | 212 | 127.5 Ų | 127.5 | 92% | 0.922 | 75% | 0.745 | S | S | * | * | | | trans | -85.1 | 72.6 | 160.4 | -78.7 | -173.8 | 177.4 | 176.6 | 0 | 109.7 | L756 | K754-L756 PolarHBondContact O-N 2.92Š|
| 755 | L | 28.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 71% | 0.707 | 74% | 0.736 | S | S | * | * | | | trans | -74.6 | 92.6 | 177.2 | -81.5 | 170 | 0 | 0 | 0 | 111.3 | T753 | T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 HydrophobicContact CG2-CD1 3.97Å; T753-L755 HydrophobicContact CG2-CG 3.83Å; T753-L755 PolarHBondContact O-N 3.29Å |
| 756 | L | 29.8 | Very low | 28.4 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 63% | 0.634 | 74% | 0.737 | S | S | * | * | | | trans | 36.7 | 100.1 | 136.4 | -55 | 169.8 | 0 | 0 | 0 | 114.3 | K754 L758 | K754-L756 PolarHBondContact O-N 2.92Å; L756-L758 HydrophobicContact CB-CD1 3.86Å; L756-L758 HydrophobicContact CD1-CD1 4.06Å; L756-L758 HydrophobicContact CD2-CD1 3.93Å; L756-L758 HydrophobicContact CG-CD1 4.16Å; L756-L758 PolarHBondContact O-N 3Å |
| 757 | Q | 27.5 | Very low | 28.6 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | | 26.1 | 44 | 56.5 | -157.1 | 161.6 | -10.8 | 0 | 0 | 115.3 | V759 | Q757-V759 HydrophobicContact CG-CG2 3.95Å; Q757-V759 WeakPolarHBondContact O-CG2 3.25Å |
| 758 | L | 28.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | | | trans | -95.4 | 111.7 | 136.6 | -95.7 | 71.3 | 0 | 0 | 0 | 105.8 | L756 | L756-L758 HydrophobicContact CB-CD1 3.86Å; L756-L758 HydrophobicContact CD1-CD1 4.06Å; L756-L758 HydrophobicContact CD2-CD1 3.93Å; L756-L758 HydrophobicContact CG-CD1 4.16Å; L756-L758 PolarHBondContact O-N 3Å |
| 759 | V | 26.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 66% | 0.655 | 74% | 0.744 | S | S | * | * | | | cis | 56.4 | 78.5 | 47.9 | -167 | 0 | 0 | 0 | 0 | 111.4 | Q757 | Q757-V759 HydrophobicContact CG-CG2 3.95Å; Q757-V759 WeakPolarHBondContact O-CG2 3.25Å |
| 760 | T | 28.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | | | trans | -119.5 | 94.6 | 141.2 | 12.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 761 | S | 27 | Very low | 30.5 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 55% | 0.552 | 74% | 0.739 | S | S | * | * | | | trans | 44.5 | 97.9 | 161.7 | 58.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 762 | T | 25.1 | Very low | 31.5 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | | 39.7 | 129.5 | 121.9 | 60 | 0 | 0 | 0 | 0 | 118.9 | | |
| 763 | T | 26.5 | Very low | 32.7 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | | | cis | -146.3 | 128.4 | 40 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | S765 | T763-S765 VanDerWaalsContact C-N 3.27Å; T763-S765 PolarHBondContact O-N 2.81Å |
| 764 | T | 25.8 | Very low | 34.2 | Very low | 151 Ų | 151 | 131 Ų | 131 | 93% | 0.926 | 72% | 0.718 | S | S | * | * | | | trans | -74.2 | 80 | 156.9 | 33.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 765 | S | 30.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | | | trans | -98.3 | 107.2 | 167.3 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | T763 S767 | T763-S765 VanDerWaalsContact C-N 3.27Å; T763-S765 PolarHBondContact O-N 2.81Å; S765-S767 PolarHBondContact O-N 3.34Å |
| 766 | T | 28.2 | Very low | 37.7 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 89% | 0.89 | 69% | 0.689 | S | S | * | * | | | trans | -71 | 112.9 | 179.2 | 36.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 767 | S | 34.4 | Very low | 39.1 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | | | trans | 174.2 | 116.9 | 144 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | S765 R769 | S765-S767 PolarHBondContact O-N 3.34Å; S767-R769 VanDerWaalsContact C-N 3.35Å; S767-R769 PolarHBondContact O-N 3.1Å |
| 768 | D | 31.5 | Very low | 40.7 | Very low | 172 Ų | 172 | 110.8 Ų | 110.8 | 92% | 0.92 | 64% | 0.644 | S | S | * | * | | | trans | -71.2 | 87.8 | 168.2 | -80.6 | -66.8 | 0 | 0 | 0 | 111.3 | | |
| 769 | R | 36.4 | Very low | 42.5 | Very low | 223 Ų | 223 | 112.2 Ų | 112.2 | 84% | 0.842 | 64% | 0.64 | S | S | * | * | | | trans | -126.9 | 99.8 | 162.2 | -73.4 | -166.1 | 165.2 | -168.4 | -4.4 | 110.5 | S767 N771 | S767-R769 VanDerWaalsContact C-N 3.35Å; S767-R769 PolarHBondContact O-N 3.1Å; R769-N771 PolarHBondContact O-N 3.23Å |
| 770 | L | 41.6 | Very low | 44.6 | Very low | 166 Ų | 166 | 113.4 Ų | 113.4 | 87% | 0.869 | 64% | 0.642 | S | S | * | * | | | trans | -45.9 | 107.9 | 178.9 | -68.9 | 165.5 | 0 | 0 | 0 | 111.8 | P772 | L770-P772 VanDerWaalsContact O-CD 3.31Å; L770-P772 WeakPolarHBondContact O-CD 3.39Å |
| 771 | N | 44.4 | Very low | 46.6 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 47% | 0.465 | 64% | 0.644 | S | S | . | * | | | trans | -76.3 | 114.7 | 172.7 | -174.4 | -26.8 | 0 | 0 | 0 | 109.1 | R769 N773 Q774 | R769-N771 PolarHBondContact O-N 3.23Å; N771-N773 PolarHBondContact O-N 3.2Å; N771-N773 WeakPolarHBondContact OD1-CB 3.01Å; N771-N773 PolarHBondContact OD1-N 2.86Å; N771-N773 VanDerWaalsContact OD1-N 3.07Å; N771-N773 PolarHBondContact OD1-ND2 2.81Å; N771-N773 VanDerWaalsContact OD1-ND2 3.08Å; N771-Q774 PolarHBondContact O-N 3.43Å |
| 772 | P | 54.7 | Low | 48.2 | Very low | 106 Ų | 106 | 113.9 Ų | 113.9 | 69% | 0.688 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -15.7 | -173.9 | 26.7 | -35.2 | 0 | 0 | 0 | 113.5 | L770 | L770-P772 VanDerWaalsContact O-CD 3.31Å; L770-P772 WeakPolarHBondContact O-CD 3.39Å |
| 773 | N | 55.6 | Low | 49.3 | Very low | 136 Ų | 136 | 116.1 Ų | 116.1 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -0.8 | -174.5 | -55.2 | -70.5 | 0 | 0 | 0 | 114.6 | N771 T775 | N771-N773 PolarHBondContact O-N 3.2Å; N771-N773 WeakPolarHBondContact OD1-CB 3.01Å; N771-N773 PolarHBondContact OD1-N 2.86Å; N771-N773 VanDerWaalsContact OD1-N 3.07Å; N771-N773 PolarHBondContact OD1-ND2 2.81Å; N771-N773 VanDerWaalsContact OD1-ND2 3.08Å; N773-T775 PolarHBondContact O-N 2.92Å |
| 774 | Q | 59.1 | Low | 50.5 | Low | 61 Ų | 61 | 118.7 Ų | 118.7 | 29% | 0.285 | 63% | 0.632 | S | S | . | * | | | trans | -69.5 | 124.8 | 174.3 | -77.1 | -173.6 | -65.2 | 0 | 0 | 111.6 | N771 D778 R779 | N771-Q774 PolarHBondContact O-N 3.43Å; Q774-D778 HydrophobicContact CB-CB 4.17Å; Q774-D778 HydrophobicContact CG-CB 4.29Å; Q774-R779 HydrophobicContact CB-CG 4.19Å; Q774-R779 PolarHBondContact O-NE 3.41Å; Q774-R779 PolarHBondContact O-NH2 3.5Å |
| 775 | T | 72.2 | Confident | 51.7 | Low | 68 Ų | 68 | 118.6 Ų | 118.6 | 42% | 0.417 | 63% | 0.625 | S | S | . | * | | | trans | -66.5 | 161.9 | 173.6 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | N773 S777 D778 R779 | N773-T775 PolarHBondContact O-N 2.92Å; T775-S777 PolarHBondContact O-N 3.33Å; T775-S777 PolarHBondContact OG1-N 3.39Å; T775-S777 PolarHBondContact OG1-OG 3.43Å; T775-D778 VanDerWaalsContact CB-OD2 3.28Å; T775-D778 WeakPolarHBondContact CB-OD2 3.42Å; T775-D778 WeakPolarHBondContact CG2-OD2 3.36Å; T775-D778 PolarHBondContact N-OD2 3.12Å; T775-D778 PolarHBondContact O-N 3.32Å; T775-D778 PolarHBondContact OG1-N 3.39Å; T775-D778 PolarHBondContact OG1-OD2 3.12Å; T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 2.74Å |
| 776 | A | 57.2 | Low | 52.5 | Low | 74 Ų | 74 | 121.4 Ų | 121.4 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57 | -32.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R779 L780 | A776-R779 PolarHBondContact O-N 3.46Å; A776-L780 WeakPolarHBondContact O-CD1 3.38Å; A776-L780 PolarHBondContact O-N 2.88Å |
| 777 | S | 58.6 | Low | 53.3 | Low | 50 Ų | 50 | 116.9 Ų | 116.9 | 35% | 0.35 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.9 | -39.9 | 172.6 | 25.9 | 0 | 0 | 0 | 0 | 113.5 | T775 R779 L780 F781 | T775-S777 PolarHBondContact O-N 3.33Å; T775-S777 PolarHBondContact OG1-N 3.39Å; T775-S777 PolarHBondContact OG1-OG 3.43Å; S777-R779 PolarHBondContact O-N 2.97Å; S777-L780 PolarHBondContact O-N 3.44Å; S777-F781 WeakPolarHBondContact O-CB 3.42Å; S777-F781 WeakPolarHBondContact O-CD2 3.43Å; S777-F781 PolarHBondContact O-N 2.89Å |
| 778 | D | 61.1 | Low | 53.4 | Low | 29 Ų | 29 | 122.3 Ų | 122.3 | 16% | 0.155 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -69.6 | -22.7 | 178.2 | -51.3 | -52.5 | 0 | 0 | 0 | 112.1 | Q774 T775 G782 | Q774-D778 HydrophobicContact CB-CB 4.17Å; Q774-D778 HydrophobicContact CG-CB 4.29Å; T775-D778 VanDerWaalsContact CB-OD2 3.28Å; T775-D778 WeakPolarHBondContact CB-OD2 3.42Å; T775-D778 WeakPolarHBondContact CG2-OD2 3.36Å; T775-D778 PolarHBondContact N-OD2 3.12Å; T775-D778 PolarHBondContact O-N 3.32Å; T775-D778 PolarHBondContact OG1-N 3.39Å; T775-D778 PolarHBondContact OG1-OD2 3.12Å; D778-G782 CarbonylContact O-C 3.52Å; D778-G782 VanDerWaalsContact O-CA 3.29Å; D778-G782 WeakPolarHBondContact O-CA 3.14Å; D778-G782 PolarHBondContact O-N 2.89Å |
| 779 | R | 68.2 | Low | 53.6 | Low | 163 Ų | 163 | 119.1 Ų | 119.1 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -83.4 | -31.3 | 174.4 | -60.8 | -179.6 | -163.8 | -157.5 | 0.7 | 113.1 | Q774 T775 A776 S777 | Q774-R779 HydrophobicContact CB-CG 4.19Å; Q774-R779 PolarHBondContact O-NE 3.41Å; Q774-R779 PolarHBondContact O-NH2 3.5Å; T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 2.74Å; A776-R779 PolarHBondContact O-N 3.46Å; S777-R779 PolarHBondContact O-N 2.97Å |
| 780 | L | 70.4 | Confident | 53.6 | Low | 132 Ų | 132 | 119.7 Ų | 119.7 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -85.3 | -33 | 176.6 | -97.9 | 83.3 | 0 | 0 | 0 | 113.9 | A776 S777 | A776-L780 WeakPolarHBondContact O-CD1 3.38Å; A776-L780 PolarHBondContact O-N 2.88Å; S777-L780 PolarHBondContact O-N 3.44Å |
| 781 | F | 70.5 | Confident | 53.1 | Low | 160 Ų | 160 | 119.8 Ų | 119.8 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -121.4 | 8.1 | -169.3 | -53 | -65.9 | 0 | 0 | 0 | 113.6 | S777 | S777-F781 WeakPolarHBondContact O-CB 3.42Å; S777-F781 WeakPolarHBondContact O-CD2 3.43Å; S777-F781 PolarHBondContact O-N 2.89Å |
| 782 | G | 59.1 | Low | 52.6 | Low | 37 Ų | 37 | 118.1 Ų | 118.1 | 38% | 0.381 | 60% | 0.6 | S | S | . | * | | | trans | 70.5 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D778 R784 | D778-G782 CarbonylContact O-C 3.52Å; D778-G782 VanDerWaalsContact O-CA 3.29Å; D778-G782 WeakPolarHBondContact O-CA 3.14Å; D778-G782 PolarHBondContact O-N 2.89Å; G782-R784 PolarHBondContact O-N 2.94Å |
| 783 | K | 49.9 | Very low | 51.3 | Low | 169 Ų | 169 | 118.7 Ų | 118.7 | 74% | 0.735 | 61% | 0.606 | S | S | * | * | | | trans | -72.4 | 118.6 | 173.8 | -65.8 | 174.4 | -176.9 | 168.2 | 0 | 109.2 | L785 | K783-L785 PolarHBondContact O-N 3.31Š|
| 784 | R | 51.6 | Low | 50.3 | Low | 169 Ų | 169 | 120.1 Ų | 120.1 | 64% | 0.638 | 61% | 0.609 | S | S | * | * | | | trans | -67.1 | 103.3 | 172.5 | -59.4 | -175.3 | -155.2 | 166.4 | 8.2 | 110.3 | G782 I786 A787 | G782-R784 PolarHBondContact O-N 2.94Å; R784-I786 PolarHBondContact O-N 3.12Å; R784-A787 HydrophobicContact CB-CB 3.62Å; R784-A787 HydrophobicContact CG-CB 4.39Å; R784-A787 PolarHBondContact O-N 2.95Å |
| 785 | L | 51 | Low | 49 | Very low | 148 Ų | 148 | 122.8 Ų | 122.8 | 78% | 0.775 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -22.6 | -178.8 | -133.9 | 76.7 | 0 | 0 | 0 | 114.4 | K783 | K783-L785 PolarHBondContact O-N 3.31Š|
| 786 | I | 48 | Very low | 47.1 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 81% | 0.81 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -10.1 | -168.6 | -50.6 | 178.2 | 0 | 0 | 0 | 112.3 | R784 Y788 | R784-I786 PolarHBondContact O-N 3.12Å; I786-Y788 PolarHBondContact O-N 3.43Å |
| 787 | A | 43.3 | Very low | 45.8 | Very low | 51 Ų | 51 | 129 Ų | 129 | 42% | 0.421 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | -10.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R784 | R784-A787 HydrophobicContact CB-CB 3.62Å; R784-A787 HydrophobicContact CG-CB 4.39Å; R784-A787 PolarHBondContact O-N 2.95Å |
| 788 | Y | 37.7 | Very low | 44.5 | Very low | 210 Ų | 210 | 133.6 Ų | 133.6 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 34.8 | -176.4 | -70.9 | -74.6 | 0 | 0 | 0 | 113.1 | I786 | I786-Y788 PolarHBondContact O-N 3.43Š|
| 789 | N | 34.2 | Very low | 43 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 56% | 0.561 | 71% | 0.712 | S | S | * | * | | | trans | -142.4 | 69.9 | 167 | -151.6 | -11.5 | 0 | 0 | 0 | 113.6 | | |
| 790 | R | 37.2 | Very low | 41.4 | Very low | 235 Ų | 235 | 135.4 Ų | 135.4 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -108.5 | 131.8 | 144.6 | -75.8 | -173.7 | 176.9 | -178.5 | -0.8 | 106.8 | | |
| 791 | N | 31.5 | Very low | 39.6 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 74.1 | 46.1 | 174.7 | -46.5 | -0.8 | 0 | 0 | 0 | 116.1 | | |
| 792 | A | 33.6 | Very low | 37.7 | Very low | 53 Ų | 53 | 130.9 Ų | 130.9 | 44% | 0.438 | 72% | 0.717 | S | S | . | * | | | trans | -137.6 | 106.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H794 | A792-H794 PolarHBondContact O-N 3.05Å; A792-H794 VanDerWaalsContact O-N 3.12Å |
| 793 | S | 27.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -83.2 | 80.8 | -179 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 794 | H | 35.1 | Very low | 35.6 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | trans | -127.4 | 112.8 | 168.9 | -70 | -62.9 | 0 | 0 | 0 | 110.6 | A792 | A792-H794 PolarHBondContact O-N 3.05Å; A792-H794 VanDerWaalsContact O-N 3.12Å |
| 795 | T | 30.1 | Very low | 34.9 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | | | trans | -65 | 135.2 | 168.6 | 38 | 0 | 0 | 0 | 0 | 110.1 | N797 | T795-N797 PolarHBondContact O-N 2.68Å; T795-N797 VanDerWaalsContact O-N 3.12Å |
| 796 | P | 32.4 | Very low | 34.1 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | | | trans | -75.8 | 99.3 | 172.1 | 30.7 | -31.8 | 0 | 0 | 0 | 109.1 | N798 | P796-N798 PolarHBondContact O-N 3.22Š|
| 797 | N | 30.7 | Very low | 33.5 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 80% | 0.802 | 69% | 0.688 | S | S | * | * | | | trans | -71.5 | 128.6 | 172.5 | -85.1 | 12 | 0 | 0 | 0 | 110.3 | T795 | T795-N797 PolarHBondContact O-N 2.68Å; T795-N797 VanDerWaalsContact O-N 3.12Å |
| 798 | N | 31 | Very low | 32.9 | Very low | 145 Ų | 145 | 121.1 Ų | 121.1 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | | | trans | -63.4 | 149.3 | 174.2 | -72.4 | -32.3 | 0 | 0 | 0 | 111.8 | P796 V800 | P796-N798 PolarHBondContact O-N 3.22Å; N798-V800 HydrophobicContact CB-CG2 4.26Å |
| 799 | A | 29.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | | | trans | -111.7 | 68.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 800 | V | 35.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | | | trans | -83 | 118.1 | 161.9 | 172.9 | 0 | 0 | 0 | 0 | 106.3 | N798 | N798-V800 HydrophobicContact CB-CG2 4.26Š|
| 801 | S | 32.2 | Very low | 32.6 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | | | trans | -71 | 140 | 171.5 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 802 | S | 29.6 | Very low | 32.6 | Very low | 97 Ų | 97 | 114.3 Ų | 114.3 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | | | trans | 31.9 | 125.5 | 146.7 | 56.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 803 | T | 31.5 | Very low | 32.6 | Very low | 97 Ų | 97 | 120 Ų | 120 | 60% | 0.595 | 71% | 0.714 | S | S | * | * | | | cis | -165.7 | 127 | 22.5 | -5.9 | 0 | 0 | 0 | 0 | 111.5 | V540 | V540-T803 HydrophobicContact CG2-CG2 4.41Š|
| 804 | T | 34 | Very low | 32.5 | Very low | 78 Ų | 78 | 119.8 Ų | 119.8 | 48% | 0.479 | 71% | 0.713 | S | S | . | * | | | | 111.2 | 121.5 | 117.2 | 2.1 | 0 | 0 | 0 | 0 | 117.5 | V540 | V540-T804 HydrophobicContact CB-CG2 3.78Å; V540-T804 WeakPolarHBondContact CG1-O 3.36Å; V540-T804 HydrophobicContact CG2-CG2 3.33Å |
| 805 | Q | 36.4 | Very low | 32.2 | Very low | 76 Ų | 76 | 117.2 Ų | 117.2 | 36% | 0.355 | 71% | 0.71 | S | S | . | * | | | trans | 22.8 | 144.4 | 142.4 | -70.2 | 119.1 | -143.7 | 0 | 0 | 121.8 | V540 L541 S542 | V540-Q805 PolarHBondContact O-NE2 2.83Å; L541-Q805 WeakPolarHBondContact O-CB 3.34Å; L541-Q805 VanDerWaalsContact O-CG 3.25Å; L541-Q805 WeakPolarHBondContact O-CG 3.38Å; L541-Q805 PolarHBondContact O-NE2 2.85Å; S542-Q805 PolarHBondContact OG-NE2 3.15Å; S542-Q805 PolarHBondContact OG-OE1 3.3Å |
| 806 | N | 34.2 | Very low | 32 | Very low | 101 Ų | 101 | 115 Ų | 115 | 54% | 0.54 | 70% | 0.704 | S | S | . | * | | | cis | -148.5 | 133.4 | 15.3 | -116.2 | -9.5 | 0 | 0 | 0 | 109.6 | | |
| 807 | S | 34.9 | Very low | 31.8 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | | | | 66.3 | 106.2 | 88.7 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 808 | G | 32.4 | Very low | 31.6 | Very low | 67 Ų | 67 | 113.5 Ų | 113.5 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | | | trans | 174.1 | 79.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 809 | T | 33.7 | Very low | 31.4 | Very low | 152 Ų | 152 | 114.4 Ų | 114.4 | 93% | 0.933 | 71% | 0.705 | S | S | * | * | | | trans | 68.1 | 161.2 | 161.4 | 71.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 810 | T | 33.5 | Very low | 31.2 | Very low | 126 Ų | 126 | 114.2 Ų | 114.2 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | | | trans | -124.3 | 124.7 | -159.8 | -43 | 0 | 0 | 0 | 0 | 111 | | |
| 811 | H | 34.4 | Very low | 30.8 | Very low | 133 Ų | 133 | 112.3 Ų | 112.3 | 62% | 0.616 | 69% | 0.686 | S | S | * | * | | | trans | -128.6 | 118.4 | 169.7 | -135.6 | -83.9 | 0 | 0 | 0 | 111.1 | S555 Q813 | S555-H811 PolarHBondContact N-NE2 2.78Å; H811-Q813 PolarHBondContact O-N 3.12Å; H811-Q813 VanDerWaalsContact O-N 3.13Å |
| 812 | H | 31.4 | Very low | 30.6 | Very low | 164 Ų | 164 | 113.8 Ų | 113.8 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | | | trans | -70.7 | 106.2 | 175.2 | -83.3 | -90.2 | 0 | 0 | 0 | 110 | | |
| 813 | Q | 33.5 | Very low | 30.5 | Very low | 173 Ų | 173 | 112.9 Ų | 112.9 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | | | trans | -116.5 | 132.6 | 148.2 | -73.9 | -170.4 | -7.3 | 0 | 0 | 108.2 | H811 P815 | H811-Q813 PolarHBondContact O-N 3.12Å; H811-Q813 VanDerWaalsContact O-N 3.13Å; Q813-P815 WeakPolarHBondContact O-CD 3.39Å |
| 814 | S | 25.4 | Very low | 30.6 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123.3 | 171.4 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | A816 | S814-A816 PolarHBondContact O-N 3.5Š|
| 815 | P | 30.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.5 | 159.2 | 26.7 | -31.1 | 0 | 0 | 0 | 106.3 | Q813 | Q813-P815 WeakPolarHBondContact O-CD 3.39Š|
| 816 | A | 25.3 | Very low | 31 | Very low | 72 Ų | 72 | 110.5 Ų | 110.5 | 60% | 0.595 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 153.9 | 167 | 0 | 0 | 0 | 0 | 0 | 108.5 | S814 T818 | S814-A816 PolarHBondContact O-N 3.5Å; A816-T818 PolarHBondContact O-N 2.87Å |
| 817 | P | 28.1 | Very low | 31.4 | Very low | 126 Ų | 126 | 110.8 Ų | 110.8 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | | | trans | -65.9 | 85.5 | 176.4 | 28.2 | -34.9 | 0 | 0 | 0 | 109.8 | N819 | P817-N819 PolarHBondContact O-N 2.74Å; P817-N819 VanDerWaalsContact O-N 3.15Å |
| 818 | T | 27.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | | | trans | -57.8 | 119.3 | 171.3 | 23.9 | 0 | 0 | 0 | 0 | 107.2 | A816 T820 | A816-T818 PolarHBondContact O-N 2.87Å; T818-T820 PolarHBondContact O-N 2.6Å; T818-T820 PolarHBondContact O-OG1 2.92Å |
| 819 | N | 25.1 | Very low | 32.6 | Very low | 164 Ų | 164 | 114.4 Ų | 114.4 | 88% | 0.877 | 66% | 0.656 | S | S | * | * | | | trans | -71.8 | 65.8 | 176 | -89.1 | -56.9 | 0 | 0 | 0 | 109.9 | P817 S821 | P817-N819 PolarHBondContact O-N 2.74Å; P817-N819 VanDerWaalsContact O-N 3.15Å; N819-S821 PolarHBondContact O-N 3.21Å |
| 820 | T | 26.4 | Very low | 33.3 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | | | trans | -66.6 | 88.7 | 170 | -51 | 0 | 0 | 0 | 0 | 106.8 | T818 I822 | T818-T820 PolarHBondContact O-N 2.6Å; T818-T820 PolarHBondContact O-OG1 2.92Å; T820-I822 HydrophobicContact CG2-CG1 4.2Å; T820-I822 WeakPolarHBondContact O-CG1 3.39Å; T820-I822 PolarHBondContact O-N 3.23Å |
| 821 | S | 26.5 | Very low | 33.9 | Very low | 83 Ų | 83 | 111.7 Ų | 111.7 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | | | trans | -68.7 | 80.3 | 176.6 | 53 | 0 | 0 | 0 | 0 | 109.1 | N819 N823 | N819-S821 PolarHBondContact O-N 3.21Å; S821-N823 VanDerWaalsContact C-N 3.33Å; S821-N823 PolarHBondContact O-N 3.03Å |
| 822 | I | 28 | Very low | 34.8 | Very low | 130 Ų | 130 | 109.2 Ų | 109.2 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | | | trans | -64 | 99 | 176.1 | -44 | -177.8 | 0 | 0 | 0 | 106.8 | T820 T824 | T820-I822 HydrophobicContact CG2-CG1 4.2Å; T820-I822 WeakPolarHBondContact O-CG1 3.39Å; T820-I822 PolarHBondContact O-N 3.23Å; I822-T824 HydrophobicContact CG2-CG2 3.96Å; I822-T824 PolarHBondContact O-N 3.34Å; I822-T824 PolarHBondContact O-OG1 2.99Å |
| 823 | N | 28.3 | Very low | 36 | Very low | 79 Ų | 79 | 104.8 Ų | 104.8 | 42% | 0.422 | 60% | 0.604 | S | S | . | * | | | trans | -77 | 56.4 | -170.4 | -153.2 | -18.4 | 0 | 0 | 0 | 111.2 | S821 A825 Q935 | S821-N823 VanDerWaalsContact C-N 3.33Å; S821-N823 PolarHBondContact O-N 3.03Å; N823-A825 PolarHBondContact O-N 2.79Å; N823-Q935 PolarHBondContact ND2-OE1 3.08Å |
| 824 | T | 33.4 | Very low | 37.1 | Very low | 81 Ų | 81 | 105.6 Ų | 105.6 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | | | trans | -72.6 | 94 | 172.3 | 48 | 0 | 0 | 0 | 0 | 108.2 | I822 T826 | I822-T824 HydrophobicContact CG2-CG2 3.96Å; I822-T824 PolarHBondContact O-N 3.34Å; I822-T824 PolarHBondContact O-OG1 2.99Å; T824-T826 PolarHBondContact O-N 3Å |
| 825 | A | 38 | Very low | 38.5 | Very low | 82 Ų | 82 | 101 Ų | 101 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | | | trans | -57.3 | 96.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N823 | N823-A825 PolarHBondContact O-N 2.79Š|
| 826 | T | 41.6 | Very low | 39.3 | Very low | 37 Ų | 37 | 102.1 Ų | 102.1 | 23% | 0.227 | 58% | 0.58 | C | S | . | * | | | trans | -67.8 | 121 | 179.3 | 52.8 | 0 | 0 | 0 | 0 | 108.7 | T824 Y828 | T824-T826 PolarHBondContact O-N 3Å; T826-Y828 PolarHBondContact O-N 2.83Å |
| 827 | P | 42.3 | Very low | 40.6 | Very low | 108 Ų | 108 | 103.8 Ų | 103.8 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | | | trans | -63.5 | 115.5 | -170.5 | 23.8 | -33.9 | 0 | 0 | 0 | 110.8 | R829 P848 | P827-R829 PolarHBondContact O-N 3.42Å; P827-P848 WeakPolarHBondContact O-CD 3.47Å; P827-P848 WeakPolarHBondContact O-CG 3.09Å |
| 828 | Y | 43.7 | Very low | 42 | Very low | 146 Ų | 146 | 100.7 Ų | 100.7 | 57% | 0.573 | 57% | 0.571 | S | S | * | * | | | trans | -55.3 | 127 | 178.1 | -72 | -90.9 | 0 | 0 | 0 | 110.4 | T826 Y830 I845 S846 | T826-Y828 PolarHBondContact O-N 2.83Å; Y828-Y830 PolarHBondContact O-N 2.54Å; Y828-I845 HydrophobicContact CD1-CG2 3.96Å; Y828-I845 HydrophobicContact CG-CG2 4.25Å; Y828-S846 CarbonylContact C-O 3.38Å; Y828-S846 WeakPolarHBondContact CA-O 3.22Å |
| 829 | R | 48.5 | Very low | 43.4 | Very low | 103 Ų | 103 | 97 Ų | 97 | 39% | 0.389 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 111.7 | 172 | -70.1 | -173.4 | -172.1 | 167.5 | 11.9 | 108 | P827 S846 P848 V851 D852 | P827-R829 PolarHBondContact O-N 3.42Å; R829-S846 PolarHBondContact N-O 3.43Å; R829-S846 PolarHBondContact O-N 3.07Å; R829-S846 PolarHBondContact O-OG 2.89Å; R829-P848 HydrophobicContact CG-CB 4.2Å; R829-V851 HydrophobicContact CB-CG2 4.48Å; R829-V851 VanDerWaalsContact NH1-CG1 3.32Å; R829-D852 IonicContact CZ-OD1 3.57Å; R829-D852 IonicContact CZ-OD2 2.6Å; R829-D852 IonicContact NH1-OD1 3.59Å; R829-D852 PolarHBondContact NH1-OD1 3.38Å; R829-D852 IonicContact NH1-OD2 3.07Å; R829-D852 IonicContact NH2-OD1 2.73Å; R829-D852 PolarHBondContact NH2-OD1 2.67Å; R829-D852 IonicContact NH2-OD2 2.68Å; R829-D852 PolarHBondContact NH2-OD2 2.84Å |
| 830 | Y | 47.3 | Very low | 44.9 | Very low | 175 Ų | 175 | 92.7 Ų | 92.7 | 69% | 0.686 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 143.8 | 167.3 | 72.4 | -85.6 | 0 | 0 | 0 | 110.5 | Y828 L844 | Y828-Y830 PolarHBondContact O-N 2.54Å; Y830-L844 CarbonylContact C-O 3.57Å; Y830-L844 VanDerWaalsContact CA-O 3.25Å; Y830-L844 WeakPolarHBondContact CA-O 3.23Å |
| 831 | A | 48 | Very low | 46.2 | Very low | 47 Ų | 47 | 92.1 Ų | 92.1 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V833 L844 | A831-V833 PolarHBondContact O-N 3.09Å; A831-L844 PolarHBondContact N-O 2.64Å; A831-L844 PolarHBondContact O-N 3.45Å |
| 832 | V | 52.3 | Low | 47.5 | Very low | 81 Ų | 81 | 89.5 Ų | 89.5 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 105.7 | 175.6 | -174 | 0 | 0 | 0 | 0 | 109.2 | Q841 Y842 | V832-Q841 HydrophobicContact CG1-CB 4.14Å; V832-Q841 HydrophobicContact CG1-CG 4.48Å; V832-Y842 CarbonylContact C-O 3.46Å; V832-Y842 WeakPolarHBondContact CA-O 3.49Å |
| 833 | V | 57.4 | Low | 48.7 | Very low | 71 Ų | 71 | 84.5 Ų | 84.5 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.6 | 177.8 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | A831 Y842 L844 | A831-V833 PolarHBondContact O-N 3.09Å; V833-Y842 PolarHBondContact N-O 3.08Å; V833-Y842 PolarHBondContact O-N 3.43Å; V833-L844 HydrophobicContact CG2-CB 4.5Å |
| 834 | R | 55.1 | Low | 49.9 | Very low | 190 Ų | 190 | 83.6 Ų | 83.6 | 72% | 0.717 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.5 | 172.4 | -167.7 | 176.7 | -171.4 | 177.2 | 1.4 | 110.2 | S836 G839 K840 | R834-S836 PolarHBondContact O-N 2.99Å; R834-G839 PolarHBondContact NE-O 3.08Å; R834-G839 VanDerWaalsContact NE-O 3.14Å; R834-K840 CarbonylContact C-O 3.49Å; R834-K840 WeakPolarHBondContact CA-O 3.16Å |
| 835 | G | 55.5 | Low | 51.1 | Low | 15 Ų | 15 | 80.6 Ų | 80.6 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 126.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D838 G839 K840 | G835-D838 WeakPolarHBondContact CA-OD1 3.32Å; G835-G839 WeakPolarHBondContact O-CA 3.28Å; G835-G839 PolarHBondContact O-N 3.1Å; G835-G839 VanDerWaalsContact O-N 3.1Å; G835-K840 PolarHBondContact N-O 3.29Å |
| 836 | S | 48 | Very low | 51.4 | Low | 135 Ų | 135 | 77.5 Ų | 77.5 | 94% | 0.944 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -20.1 | -172.6 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | R834 | R834-S836 PolarHBondContact O-N 2.99Š|
| 837 | A | 51.7 | Low | 51.6 | Low | 107 Ų | 107 | 77.8 Ų | 77.8 | 88% | 0.884 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -36.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 838 | D | 57.9 | Low | 51.7 | Low | 62 Ų | 62 | 73.6 Ų | 73.6 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -7.8 | -174.6 | 71.5 | -11.5 | 0 | 0 | 0 | 114.1 | G835 K840 Y842 | G835-D838 WeakPolarHBondContact CA-OD1 3.32Å; D838-K840 HydrophobicContact CB-CD 4.46Å; D838-K840 HydrophobicContact CB-CG 4.12Å; D838-K840 PolarHBondContact O-N 3.31Å; D838-K840 VanDerWaalsContact O-N 3.15Å; D838-K840 PolarHBondContact OD1-N 3.18Å; D838-K840 VanDerWaalsContact OD1-N 3.12Å; D838-K840 WeakPolarHBondContact OD2-CD 3.3Å; D838-K840 WeakPolarHBondContact OD2-CE 3.34Å; D838-K840 VanDerWaalsContact OD2-CG 3.27Å; D838-K840 WeakPolarHBondContact OD2-CG 3.22Å; D838-K840 IonicContact OD2-NZ 2.85Å; D838-K840 PolarHBondContact OD2-NZ 3.46Å; D838-Y842 PolarHBondContact OD2-OH 3.04Å |
| 839 | G | 55.6 | Low | 51.6 | Low | 35 Ų | 35 | 75.2 Ų | 75.2 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | | | trans | 71 | -1.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R834 G835 | R834-G839 PolarHBondContact NE-O 3.08Å; R834-G839 VanDerWaalsContact NE-O 3.14Å; G835-G839 WeakPolarHBondContact O-CA 3.28Å; G835-G839 PolarHBondContact O-N 3.1Å; G835-G839 VanDerWaalsContact O-N 3.1Å |
| 840 | K | 56.8 | Low | 51.1 | Low | 75 Ų | 75 | 74.3 Ų | 74.3 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | | | trans | -75.6 | 167.9 | -174.7 | -56.2 | -172.2 | -157.8 | 109.4 | 0 | 111.5 | R834 G835 D838 Y842 | R834-K840 CarbonylContact C-O 3.49Å; R834-K840 WeakPolarHBondContact CA-O 3.16Å; G835-K840 PolarHBondContact N-O 3.29Å; D838-K840 HydrophobicContact CB-CD 4.46Å; D838-K840 HydrophobicContact CB-CG 4.12Å; D838-K840 PolarHBondContact O-N 3.31Å; D838-K840 VanDerWaalsContact O-N 3.15Å; D838-K840 PolarHBondContact OD1-N 3.18Å; D838-K840 VanDerWaalsContact OD1-N 3.12Å; D838-K840 WeakPolarHBondContact OD2-CD 3.3Å; D838-K840 WeakPolarHBondContact OD2-CE 3.34Å; D838-K840 VanDerWaalsContact OD2-CG 3.27Å; D838-K840 WeakPolarHBondContact OD2-CG 3.22Å; D838-K840 IonicContact OD2-NZ 2.85Å; D838-K840 PolarHBondContact OD2-NZ 3.46Å; K840-Y842 HydrophobicContact CB-CE2 4.04Å |
| 841 | Q | 53.9 | Low | 50.7 | Low | 92 Ų | 92 | 69.3 Ų | 69.3 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.7 | 177.9 | -61.7 | -171.4 | 61.4 | 0 | 0 | 110.3 | V832 M913 | V832-Q841 HydrophobicContact CG1-CB 4.14Å; V832-Q841 HydrophobicContact CG1-CG 4.48Å; Q841-M913 HydrophobicContact CB-CB 4.25Å; Q841-M913 WeakPolarHBondContact O-CB 3.05Å; Q841-M913 PolarHBondContact O-N 3.26Å |
| 842 | Y | 53.5 | Low | 50.1 | Low | 29 Ų | 29 | 72.5 Ų | 72.5 | 11% | 0.114 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130 | -179.7 | -66.4 | -85.7 | 0 | 0 | 0 | 109 | V832 V833 D838 K840 F901 L910 I911 R912 | V832-Y842 CarbonylContact C-O 3.46Å; V832-Y842 WeakPolarHBondContact CA-O 3.49Å; V833-Y842 PolarHBondContact N-O 3.08Å; V833-Y842 PolarHBondContact O-N 3.43Å; D838-Y842 PolarHBondContact OD2-OH 3.04Å; K840-Y842 HydrophobicContact CB-CE2 4.04Å; Y842-F901 HydrophobicContact CD1-CE2 4.36Å; Y842-F901 AromaticContact CE1-CE2 3.73Å; Y842-F901 HydrophobicContact CE1-CE2 3.73Å; Y842-F901 AromaticContact CE1-CZ 3.55Å; Y842-F901 HydrophobicContact CE1-CZ 3.55Å; Y842-L910 HydrophobicContact CD1-CD1 4.47Å; Y842-L910 HydrophobicContact CD1-CD2 4.31Å; Y842-L910 HydrophobicContact CD1-CG 4.2Å; Y842-L910 HydrophobicContact CG-CD1 4.47Å; Y842-I911 CarbonylContact C-O 3.49Å; Y842-I911 VanDerWaalsContact CA-O 3.26Å; Y842-I911 WeakPolarHBondContact CA-O 3.45Å; Y842-R912 HydrophobicContact CD1-CB 3.99Å; Y842-R912 HydrophobicContact CD1-CG 4.25Å; Y842-R912 HydrophobicContact CE1-CB 3.65Å; Y842-R912 HydrophobicContact CE1-CG 3.6Å |
| 843 | V | 54.1 | Low | 49 | Very low | 24 Ų | 24 | 75.1 Ų | 75.1 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117 | 170.3 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | I845 I911 M913 | V843-I845 HydrophobicContact CG1-CD1 4.44Å; V843-I845 HydrophobicContact CG1-CG1 3.79Å; V843-I911 PolarHBondContact N-O 3.19Å; V843-I911 PolarHBondContact O-N 3.23Å; V843-M913 HydrophobicContact CG2-CG 3.78Å; V843-M913 HydrophobicContact CG2-SD 3.79Å |
| 844 | L | 53.5 | Low | 47.5 | Very low | 61 Ų | 61 | 78 Ų | 78 | 32% | 0.319 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 110.5 | 167.6 | -179.7 | 72.6 | 0 | 0 | 0 | 107.9 | Y830 A831 V833 A908 H909 L910 | Y830-L844 CarbonylContact C-O 3.57Å; Y830-L844 VanDerWaalsContact CA-O 3.25Å; Y830-L844 WeakPolarHBondContact CA-O 3.23Å; A831-L844 PolarHBondContact N-O 2.64Å; A831-L844 PolarHBondContact O-N 3.45Å; V833-L844 HydrophobicContact CG2-CB 4.5Å; L844-A908 HydrophobicContact CD1-CB 3.85Å; L844-H909 WeakPolarHBondContact CA-O 3.07Å; L844-L910 HydrophobicContact CB-CD1 4.42Å; L844-L910 HydrophobicContact CD1-CD1 4.32Å |
| 845 | I | 58.3 | Low | 46.2 | Very low | 18 Ų | 18 | 73.7 Ų | 73.7 | 9% | 0.092 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.6 | 175 | -54 | 180 | 0 | 0 | 0 | 108.3 | Y828 V843 A908 H909 I911 | Y828-I845 HydrophobicContact CD1-CG2 3.96Å; Y828-I845 HydrophobicContact CG-CG2 4.25Å; V843-I845 HydrophobicContact CG1-CD1 4.44Å; V843-I845 HydrophobicContact CG1-CG1 3.79Å; I845-A908 CarbonylContact O-C 3.57Å; I845-A908 WeakPolarHBondContact O-CA 3.29Å; I845-A908 WeakPolarHBondContact O-CB 3.33Å; I845-H909 PolarHBondContact N-O 2.78Å; I845-H909 PolarHBondContact O-N 3.12Å; I845-I911 HydrophobicContact CD1-CD1 3.85Å |
| 846 | S | 44.6 | Very low | 44.8 | Very low | 16 Ų | 16 | 80.3 Ų | 80.3 | 11% | 0.112 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 147.8 | -175 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | Y828 R829 V851 | Y828-S846 CarbonylContact C-O 3.38Å; Y828-S846 WeakPolarHBondContact CA-O 3.22Å; R829-S846 PolarHBondContact N-O 3.43Å; R829-S846 PolarHBondContact O-N 3.07Å; R829-S846 PolarHBondContact O-OG 2.89Å; S846-V851 VanDerWaalsContact OG-CG2 3.27Å; S846-V851 WeakPolarHBondContact OG-CG2 3.46Å |
| 847 | N | 45.7 | Very low | 43.8 | Very low | 44 Ų | 44 | 81.9 Ų | 81.9 | 24% | 0.235 | 44% | 0.436 | C | S | . | . | | | trans | -70 | 129.4 | 170.8 | -174 | -52.7 | 0 | 0 | 0 | 109.5 | R849 M850 | N847-R849 PolarHBondContact O-N 2.83Å; N847-R849 VanDerWaalsContact O-N 3.09Å; N847-R849 WeakPolarHBondContact OD1-CB 3.4Å; N847-R849 PolarHBondContact OD1-N 2.89Å; N847-M850 HydrophobicContact CB-CG 4.35Å; N847-M850 PolarHBondContact O-N 2.78Å |
| 848 | P | 44.7 | Very low | 42.6 | Very low | 19 Ų | 19 | 83.9 Ų | 83.9 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59 | -25.6 | -177.3 | 24.7 | -36.3 | 0 | 0 | 0 | 114 | P827 R829 M850 V851 | P827-P848 WeakPolarHBondContact O-CD 3.47Å; P827-P848 WeakPolarHBondContact O-CG 3.09Å; R829-P848 HydrophobicContact CG-CB 4.2Å; P848-M850 PolarHBondContact O-N 3.39Å; P848-V851 PolarHBondContact O-N 2.9Å |
| 849 | R | 40.8 | Very low | 41.1 | Very low | 181 Ų | 181 | 86.9 Ų | 86.9 | 68% | 0.683 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.1 | -21.4 | 175.7 | -67.6 | -174.3 | 175.3 | -179.8 | 1 | 113.4 | N847 | N847-R849 PolarHBondContact O-N 2.83Å; N847-R849 VanDerWaalsContact O-N 3.09Å; N847-R849 WeakPolarHBondContact OD1-CB 3.4Å; N847-R849 PolarHBondContact OD1-N 2.89Å |
| 850 | M | 38.6 | Very low | 39.7 | Very low | 84 Ų | 84 | 89.9 Ų | 89.9 | 41% | 0.414 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -93.9 | -20.5 | -179.2 | -57.4 | -173 | 74.8 | 0 | 0 | 112.9 | N847 P848 N906 | N847-M850 HydrophobicContact CB-CG 4.35Å; N847-M850 PolarHBondContact O-N 2.78Å; P848-M850 PolarHBondContact O-N 3.39Å; M850-N906 HydrophobicContact CE-CB 4.31Å; M850-N906 WeakPolarHBondContact CE-O 3.46Å |
| 851 | V | 38.9 | Very low | 38.3 | Very low | 70 Ų | 70 | 90.4 Ų | 90.4 | 42% | 0.424 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -78.1 | -28.5 | 179.4 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | R829 S846 P848 | R829-V851 HydrophobicContact CB-CG2 4.48Å; R829-V851 VanDerWaalsContact NH1-CG1 3.32Å; S846-V851 VanDerWaalsContact OG-CG2 3.27Å; S846-V851 WeakPolarHBondContact OG-CG2 3.46Å; P848-V851 PolarHBondContact O-N 2.9Å |
| 852 | D | 35 | Very low | 37 | Very low | 114 Ų | 114 | 91.6 Ų | 91.6 | 61% | 0.61 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -99.3 | 6 | -179 | -61.3 | -19.7 | 0 | 0 | 0 | 112.9 | R829 | R829-D852 IonicContact CZ-OD1 3.57Å; R829-D852 IonicContact CZ-OD2 2.6Å; R829-D852 IonicContact NH1-OD1 3.59Å; R829-D852 PolarHBondContact NH1-OD1 3.38Å; R829-D852 IonicContact NH1-OD2 3.07Å; R829-D852 IonicContact NH2-OD1 2.73Å; R829-D852 PolarHBondContact NH2-OD1 2.67Å; R829-D852 IonicContact NH2-OD2 2.68Å; R829-D852 PolarHBondContact NH2-OD2 2.84Å |
| 853 | Q | 29.4 | Very low | 35.6 | Very low | 135 Ų | 135 | 97.6 Ų | 97.6 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -82.8 | 127.8 | 167 | -85 | -171.2 | -10.3 | 0 | 0 | 110.7 | V855 | Q853-V855 PolarHBondContact O-N 2.82Š|
| 854 | T | 25.8 | Very low | 34.2 | Very low | 133 Ų | 133 | 101.5 Ų | 101.5 | 82% | 0.816 | 55% | 0.55 | S | S | * | . | | | trans | -69 | 97.9 | 164.3 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | H856 | T854-H856 VanDerWaalsContact C-N 3.32Å; T854-H856 PolarHBondContact O-N 3.1Å |
| 855 | V | 28.6 | Very low | 32.9 | Very low | 98 Ų | 98 | 103.9 Ų | 103.9 | 59% | 0.594 | 57% | 0.567 | S | S | * | * | | | trans | -66.2 | 92.8 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | Q853 E857 | Q853-V855 PolarHBondContact O-N 2.82Å; V855-E857 PolarHBondContact O-N 3.07Å |
| 856 | H | 26.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 109.1 Ų | 109.1 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | | | trans | -72.5 | 118 | 173.8 | -141.3 | -77.4 | 0 | 0 | 0 | 108.1 | T854 Q858 | T854-H856 VanDerWaalsContact C-N 3.32Å; T854-H856 PolarHBondContact O-N 3.1Å; H856-Q858 PolarHBondContact O-N 3.36Å |
| 857 | E | 27.3 | Very low | 30.8 | Very low | 169 Ų | 169 | 113.4 Ų | 113.4 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 51.2 | 57.2 | 164.2 | -62 | -178.4 | 130.4 | 0 | 0 | 117.6 | V855 | V855-E857 PolarHBondContact O-N 3.07Š|
| 858 | Q | 26.1 | Very low | 30 | Very low | 148 Ų | 148 | 118 Ų | 118 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | | | trans | -131.2 | 123.9 | 149.7 | -76 | -162.2 | -11 | 0 | 0 | 111.9 | H856 V860 | H856-Q858 PolarHBondContact O-N 3.36Å; Q858-V860 PolarHBondContact O-N 3.3Å |
| 859 | P | 25.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | | | trans | -75.6 | 119.6 | 173.8 | 30.4 | -32 | 0 | 0 | 0 | 110.1 | A861 | P859-A861 PolarHBondContact O-N 3.2Š|
| 860 | V | 26.8 | Very low | 28.7 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | | | trans | -63.9 | 110.2 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | Q858 T862 I905 | Q858-V860 PolarHBondContact O-N 3.3Å; V860-T862 PolarHBondContact O-N 3.34Å; V860-I905 HydrophobicContact CG1-CG2 4.26Å |
| 861 | A | 26.6 | Very low | 28.2 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | | | trans | -61.5 | 118.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P859 L863 | P859-A861 PolarHBondContact O-N 3.2Å; A861-L863 PolarHBondContact O-N 3.19Å |
| 862 | T | 26.1 | Very low | 27.7 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | | | trans | -83.8 | 103.3 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | V860 T864 | V860-T862 PolarHBondContact O-N 3.34Å; T862-T864 VanDerWaalsContact C-N 3.27Å; T862-T864 HydrophobicContact CG2-CG2 4.13Å; T862-T864 PolarHBondContact O-N 2.79Å |
| 863 | L | 24.9 | Very low | 27.2 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | -71.2 | 77.1 | 175.6 | -77.6 | 165.2 | 0 | 0 | 0 | 111.5 | A861 T865 | A861-L863 PolarHBondContact O-N 3.19Å; L863-T865 PolarHBondContact O-N 2.94Å |
| 864 | T | 25.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | trans | -82.8 | 91.9 | 164.3 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | T862 T866 | T862-T864 VanDerWaalsContact C-N 3.27Å; T862-T864 HydrophobicContact CG2-CG2 4.13Å; T862-T864 PolarHBondContact O-N 2.79Å; T864-T866 VanDerWaalsContact C-N 3.32Å; T864-T866 PolarHBondContact O-N 3.42Å |
| 865 | T | 25.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | trans | -72.5 | 83.4 | 170.1 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | L863 | L863-T865 PolarHBondContact O-N 2.94Š|
| 866 | T | 28.7 | Very low | 26.9 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | | | trans | -90.7 | 120.9 | 163.4 | 49.3 | 0 | 0 | 0 | 0 | 109 | T864 | T864-T866 VanDerWaalsContact C-N 3.32Å; T864-T866 PolarHBondContact O-N 3.42Å |
| 867 | V | 28.9 | Very low | 26.9 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | -91.6 | 145.1 | -171.4 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 868 | N | 29.1 | Very low | 26.8 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 84.1 | 146.8 | 177.5 | -58.5 | -27.6 | 0 | 0 | 0 | 118.6 | | |
| 869 | D | 28.8 | Very low | 26.9 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | | | trans | 68.2 | 54.8 | 164.4 | -54.9 | -11.1 | 0 | 0 | 0 | 119.7 | | |
| 870 | A | 29.3 | Very low | 26.8 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | | 29.4 | 157.7 | 122.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 871 | P | 28.2 | Very low | 27.1 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | cis | -136.1 | 161.9 | -13.5 | 36.6 | -18.5 | 0 | 0 | 0 | 116.7 | | |
| 872 | L | 29.3 | Very low | 27.2 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | | | trans | 63.3 | 145.8 | 152.3 | -66.1 | 163.1 | 0 | 0 | 0 | 119.1 | | |
| 873 | E | 25.4 | Very low | 27.3 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | cis | -132.6 | 148.4 | -3 | -66.6 | -169.4 | 150.6 | 0 | 0 | 111.5 | | |
| 874 | P | 25.7 | Very low | 27.5 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 131.3 | 160.8 | 35.2 | -26.3 | 0 | 0 | 0 | 112.1 | | |
| 875 | I | 27.2 | Very low | 27.8 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 133.8 | 171.8 | -63.4 | 177.7 | 0 | 0 | 0 | 109.8 | | |
| 876 | Y | 23.8 | Very low | 27.9 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 149.7 | -170.6 | -69.1 | -104.7 | 0 | 0 | 0 | 114 | | |
| 877 | V | 26.1 | Very low | 27.8 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | | | trans | -131.9 | 123.7 | 146.8 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 878 | S | 24.9 | Very low | 27.6 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -92.4 | 138.6 | -160.3 | -47.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 879 | T | 27.5 | Very low | 27.5 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -128.7 | 137.9 | 149.6 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | V881 | T879-V881 PolarHBondContact O-N 3.12Š|
| 880 | P | 24.8 | Very low | 27.4 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -79.6 | 106.1 | -172.2 | 30.5 | -33.7 | 0 | 0 | 0 | 111.2 | | |
| 881 | V | 32.7 | Very low | 27.3 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | trans | -116.4 | 125.1 | 166.7 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | T879 | T879-V881 PolarHBondContact O-N 3.12Š|
| 882 | G | 28.6 | Very low | 27.2 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | | | trans | -60.5 | 140 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N884 | G882-N884 VanDerWaalsContact C-N 3.29Å; G882-N884 PolarHBondContact O-N 2.8Å |
| 883 | E | 28 | Very low | 27.4 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -71.9 | 69.4 | -178.4 | -59.6 | 179.1 | 130 | 0 | 0 | 112.5 | | |
| 884 | N | 29.6 | Very low | 27.6 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -156.8 | 25.5 | 175.2 | -111.9 | -42.7 | 0 | 0 | 0 | 117.4 | G882 | G882-N884 VanDerWaalsContact C-N 3.29Å; G882-N884 PolarHBondContact O-N 2.8Å |
| 885 | F | 32.3 | Very low | 27.7 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -107.9 | 115.4 | 172.8 | -79.5 | -75.6 | 0 | 0 | 0 | 113.2 | S887 | F885-S887 PolarHBondContact O-N 2.82Å; F885-S887 VanDerWaalsContact O-N 3.14Å |
| 886 | N | 26.5 | Very low | 27.7 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -74.1 | 100.3 | -165.8 | -136.9 | -34.3 | 0 | 0 | 0 | 112.2 | Q888 | N886-Q888 PolarHBondContact O-N 3.44Š|
| 887 | S | 26.5 | Very low | 27.9 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 41.6 | -170.2 | 51.1 | 0 | 0 | 0 | 0 | 115 | F885 | F885-S887 PolarHBondContact O-N 2.82Å; F885-S887 VanDerWaalsContact O-N 3.14Å |
| 888 | Q | 26.5 | Very low | 28.1 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -9.1 | -174.6 | -67.3 | -159.3 | 31.9 | 0 | 0 | 117.6 | N886 L890 | N886-Q888 PolarHBondContact O-N 3.44Å; Q888-L890 VanDerWaalsContact C-N 3.32Å; Q888-L890 PolarHBondContact O-N 2.99Å; Q888-L890 VanDerWaalsContact O-N 3.12Å |
| 889 | Q | 25.9 | Very low | 28.4 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | trans | -89.4 | 63.3 | 175.4 | -73.8 | -167.4 | -8.9 | 0 | 0 | 113.6 | F891 | Q889-F891 HydrophobicContact CB-CD2 4.39Å; Q889-F891 HydrophobicContact CB-CE2 3.84Å; Q889-F891 HydrophobicContact CB-CZ 4.06Å; Q889-F891 HydrophobicContact CG-CZ 4.41Å; Q889-F891 WeakPolarHBondContact O-CD2 3.26Å; Q889-F891 PolarHBondContact O-N 2.83Å; Q889-F891 VanDerWaalsContact O-N 3.16Å; Q889-F891 VanDerWaalsContact OE1-CZ 3.23Å |
| 890 | L | 26.7 | Very low | 28.8 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | | | trans | -75.9 | 87.8 | 160.6 | -81 | 166.4 | 0 | 0 | 0 | 109.3 | Q888 | Q888-L890 VanDerWaalsContact C-N 3.32Å; Q888-L890 PolarHBondContact O-N 2.99Å; Q888-L890 VanDerWaalsContact O-N 3.12Å |
| 891 | F | 27.1 | Very low | 29.5 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 64% | 0.64 | 68% | 0.678 | S | S | * | * | | | trans | -62 | 135.1 | 179.5 | -67.5 | -82.2 | 0 | 0 | 0 | 112.6 | Q889 | Q889-F891 HydrophobicContact CB-CD2 4.39Å; Q889-F891 HydrophobicContact CB-CE2 3.84Å; Q889-F891 HydrophobicContact CB-CZ 4.06Å; Q889-F891 HydrophobicContact CG-CZ 4.41Å; Q889-F891 WeakPolarHBondContact O-CD2 3.26Å; Q889-F891 PolarHBondContact O-N 2.83Å; Q889-F891 VanDerWaalsContact O-N 3.16Å; Q889-F891 VanDerWaalsContact OE1-CZ 3.23Å |
| 892 | S | 25.3 | Very low | 30.2 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | | | trans | -59.5 | 139.5 | 178.8 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | D894 S895 | S892-D894 PolarHBondContact O-N 3.16Å; S892-S895 PolarHBondContact O-N 2.87Å |
| 893 | V | 33.5 | Very low | 31 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 85% | 0.848 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -20.4 | -175 | 179.3 | 0 | 0 | 0 | 0 | 113 | S895 | V893-S895 VanDerWaalsContact C-N 3.27Å; V893-S895 PolarHBondContact O-N 3.19Å |
| 894 | D | 30 | Very low | 31.7 | Very low | 155 Ų | 155 | 117.2 Ų | 117.2 | 83% | 0.829 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -3.7 | -177.7 | -49.5 | -67.9 | 0 | 0 | 0 | 114 | S892 G896 | S892-D894 PolarHBondContact O-N 3.16Å; D894-G896 PolarHBondContact O-N 3.21Å |
| 895 | S | 28.6 | Very low | 32.5 | Very low | 72 Ų | 72 | 113.8 Ų | 113.8 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | | | trans | -75.7 | 116.5 | 168.8 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | S892 V893 V897 | S892-S895 PolarHBondContact O-N 2.87Å; V893-S895 VanDerWaalsContact C-N 3.27Å; V893-S895 PolarHBondContact O-N 3.19Å; S895-V897 PolarHBondContact O-N 3.14Å |
| 896 | G | 27.7 | Very low | 32.8 | Very low | 79 Ų | 79 | 111 Ų | 111 | 81% | 0.814 | 61% | 0.61 | S | S | * | * | | | trans | -61.3 | -6.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D894 S898 | D894-G896 PolarHBondContact O-N 3.21Å; G896-S898 VanDerWaalsContact C-N 3.32Å; G896-S898 PolarHBondContact O-N 3.12Å |
| 897 | V | 27.1 | Very low | 33.6 | Very low | 95 Ų | 95 | 105.8 Ų | 105.8 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | | | trans | -73.2 | 83.4 | 175.9 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | S895 R899 | S895-V897 PolarHBondContact O-N 3.14Å; V897-R899 HydrophobicContact CG1-CG 4.11Å; V897-R899 PolarHBondContact O-N 3.15Å |
| 898 | S | 29.7 | Very low | 34.1 | Very low | 52 Ų | 52 | 100.9 Ų | 100.9 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | | | trans | -61.5 | 111 | 167.9 | -79.3 | 0 | 0 | 0 | 0 | 109.7 | G896 R912 I920 | G896-S898 VanDerWaalsContact C-N 3.32Å; G896-S898 PolarHBondContact O-N 3.12Å; S898-R912 PolarHBondContact OG-NH2 2.97Å; S898-I920 WeakPolarHBondContact O-CG2 3.45Å |
| 899 | R | 31 | Very low | 35.3 | Very low | 170 Ų | 170 | 94.7 Ų | 94.7 | 64% | 0.642 | 53% | 0.529 | S | S | * | . | | | trans | -102 | 144.4 | 166.2 | -65.1 | -170.9 | 176.8 | -166.1 | -1.2 | 110.9 | V897 S921 | V897-R899 HydrophobicContact CG1-CG 4.11Å; V897-R899 PolarHBondContact O-N 3.15Å; R899-S921 WeakPolarHBondContact CA-OG 3.49Å |
| 900 | A | 37.6 | Very low | 36.1 | Very low | 45 Ų | 45 | 89.4 Ų | 89.4 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | | | trans | -71.1 | 148.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I920 | A900-I920 HydrophobicContact CB-CB 4.09Å; A900-I920 WeakPolarHBondContact CB-O 3.42Å; A900-I920 PolarHBondContact N-O 3.16Å |
| 901 | F | 38.6 | Very low | 37.4 | Very low | 88 Ų | 88 | 84.7 Ų | 84.7 | 39% | 0.386 | 48% | 0.48 | S | S | . | . | | | trans | -109.2 | 133.5 | 160 | 42.9 | -100 | 0 | 0 | 0 | 108.3 | Y842 V903 L910 R912 | Y842-F901 HydrophobicContact CD1-CE2 4.36Å; Y842-F901 AromaticContact CE1-CE2 3.73Å; Y842-F901 HydrophobicContact CE1-CE2 3.73Å; Y842-F901 AromaticContact CE1-CZ 3.55Å; Y842-F901 HydrophobicContact CE1-CZ 3.55Å; F901-V903 HydrophobicContact CD2-CG2 4.02Å; F901-L910 HydrophobicContact CE2-CD2 4.48Å; F901-R912 HydrophobicContact CE1-CB 4.48Å; F901-R912 HydrophobicContact CE2-CB 4.41Å; F901-R912 HydrophobicContact CZ-CB 4.29Å |
| 902 | K | 47 | Very low | 38.3 | Very low | 123 Ų | 123 | 79.4 Ų | 79.4 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.5 | 160.4 | -177.8 | -168.1 | 179.5 | -165.7 | 0 | 106.3 | E904 H909 | K902-E904 IonicContact NZ-OE2 2.66Å; K902-H909 VanDerWaalsContact CE-CE1 3.4Å; K902-H909 WeakPolarHBondContact CE-CE1 3.37Å; K902-H909 WeakPolarHBondContact CE-ND1 3.45Å; K902-H909 WeakPolarHBondContact CE-NE2 3.35Å; K902-H909 PolarHBondContact NZ-CE1 3.14Å; K902-H909 PolarHBondContact NZ-NE2 3.39Å |
| 903 | V | 44.9 | Very low | 39.4 | Very low | 58 Ų | 58 | 76.7 Ų | 76.7 | 35% | 0.352 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.2 | 165.4 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | F901 I905 L910 | F901-V903 HydrophobicContact CD2-CG2 4.02Å; V903-I905 HydrophobicContact CG1-CD1 4.19Å; V903-I905 HydrophobicContact CG1-CG1 3.88Å; V903-L910 HydrophobicContact CB-CB 4.45Å; V903-L910 PolarHBondContact N-O 2.87Å; V903-L910 PolarHBondContact O-N 2.96Å |
| 904 | E | 43.2 | Very low | 40 | Very low | 114 Ų | 114 | 71.8 Ų | 71.8 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.2 | 173.9 | -170.8 | 164.4 | 159.3 | 0 | 0 | 109.7 | K902 A908 H909 | K902-E904 IonicContact NZ-OE2 2.66Å; E904-A908 WeakPolarHBondContact CA-O 3.46Å; E904-H909 VanDerWaalsContact CD-CE1 3.48Å; E904-H909 IonicContact OE1-CE1 3.53Å; E904-H909 IonicContact OE2-CE1 3.49Å; E904-H909 PolarHBondContact OE2-CE1 3.42Å; E904-H909 IonicContact OE2-ND1 2.72Å |
| 905 | I | 46.1 | Very low | 40.8 | Very low | 81 Ų | 81 | 69.8 Ų | 69.8 | 42% | 0.415 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 113.2 | 178.2 | -52.1 | -179.4 | 0 | 0 | 0 | 106.6 | V860 V903 G907 A908 | V860-I905 HydrophobicContact CG1-CG2 4.26Å; V903-I905 HydrophobicContact CG1-CD1 4.19Å; V903-I905 HydrophobicContact CG1-CG1 3.88Å; I905-G907 PolarHBondContact O-N 2.7Å; I905-A908 PolarHBondContact N-O 3.33Å; I905-A908 WeakPolarHBondContact O-CB 3.33Å; I905-A908 PolarHBondContact O-N 2.81Å |
| 906 | N | 39.9 | Very low | 41.8 | Very low | 101 Ų | 101 | 73.6 Ų | 73.6 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 53.8 | 178.7 | -60.1 | -3.2 | 0 | 0 | 0 | 113 | M850 A908 | M850-N906 HydrophobicContact CE-CB 4.31Å; M850-N906 WeakPolarHBondContact CE-O 3.46Å; N906-A908 PolarHBondContact O-N 2.87Å; N906-A908 VanDerWaalsContact O-N 3.12Å |
| 907 | G | 42 | Very low | 42.5 | Very low | 39 Ų | 39 | 71.9 Ų | 71.9 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 9.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I905 | I905-G907 PolarHBondContact O-N 2.7Š|
| 908 | A | 38.8 | Very low | 43.4 | Very low | 14 Ų | 14 | 73.2 Ų | 73.2 | 12% | 0.116 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L844 I845 E904 I905 N906 | L844-A908 HydrophobicContact CD1-CB 3.85Å; I845-A908 CarbonylContact O-C 3.57Å; I845-A908 WeakPolarHBondContact O-CA 3.29Å; I845-A908 WeakPolarHBondContact O-CB 3.33Å; E904-A908 WeakPolarHBondContact CA-O 3.46Å; I905-A908 PolarHBondContact N-O 3.33Å; I905-A908 WeakPolarHBondContact O-CB 3.33Å; I905-A908 PolarHBondContact O-N 2.81Å; N906-A908 PolarHBondContact O-N 2.87Å; N906-A908 VanDerWaalsContact O-N 3.12Å |
| 909 | H | 50.2 | Low | 43.9 | Very low | 36 Ų | 36 | 73.5 Ų | 73.5 | 17% | 0.167 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.5 | 177.3 | -62 | -17.8 | 0 | 0 | 0 | 110.4 | L844 I845 K902 E904 | L844-H909 WeakPolarHBondContact CA-O 3.07Å; I845-H909 PolarHBondContact N-O 2.78Å; I845-H909 PolarHBondContact O-N 3.12Å; K902-H909 VanDerWaalsContact CE-CE1 3.4Å; K902-H909 WeakPolarHBondContact CE-CE1 3.37Å; K902-H909 WeakPolarHBondContact CE-ND1 3.45Å; K902-H909 WeakPolarHBondContact CE-NE2 3.35Å; K902-H909 PolarHBondContact NZ-CE1 3.14Å; K902-H909 PolarHBondContact NZ-NE2 3.39Å; E904-H909 VanDerWaalsContact CD-CE1 3.48Å; E904-H909 IonicContact OE1-CE1 3.53Å; E904-H909 IonicContact OE2-CE1 3.49Å; E904-H909 PolarHBondContact OE2-CE1 3.42Å; E904-H909 IonicContact OE2-ND1 2.72Å |
| 910 | L | 43.6 | Very low | 44.5 | Very low | 45 Ų | 45 | 65.6 Ų | 65.6 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.2 | 170.4 | -168 | 73.3 | 0 | 0 | 0 | 109.5 | Y842 L844 F901 V903 | Y842-L910 HydrophobicContact CD1-CD1 4.47Å; Y842-L910 HydrophobicContact CD1-CD2 4.31Å; Y842-L910 HydrophobicContact CD1-CG 4.2Å; Y842-L910 HydrophobicContact CG-CD1 4.47Å; L844-L910 HydrophobicContact CB-CD1 4.42Å; L844-L910 HydrophobicContact CD1-CD1 4.32Å; F901-L910 HydrophobicContact CE2-CD2 4.48Å; V903-L910 HydrophobicContact CB-CB 4.45Å; V903-L910 PolarHBondContact N-O 2.87Å; V903-L910 PolarHBondContact O-N 2.96Å |
| 911 | I | 53.8 | Low | 44.5 | Very low | 34 Ų | 34 | 66.5 Ų | 66.5 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.9 | 179.1 | -56.1 | 176.6 | 0 | 0 | 0 | 109.1 | Y842 V843 I845 M913 | Y842-I911 CarbonylContact C-O 3.49Å; Y842-I911 VanDerWaalsContact CA-O 3.26Å; Y842-I911 WeakPolarHBondContact CA-O 3.45Å; V843-I911 PolarHBondContact N-O 3.19Å; V843-I911 PolarHBondContact O-N 3.23Å; I845-I911 HydrophobicContact CD1-CD1 3.85Å; I911-M913 HydrophobicContact CG2-SD 4.49Å |
| 912 | R | 46.3 | Very low | 44.2 | Very low | 36 Ų | 36 | 64.4 Ų | 64.4 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.2 | 174.4 | -173 | -176.3 | 146.6 | -153.4 | -11.4 | 110.7 | Y842 S898 F901 I920 | Y842-R912 HydrophobicContact CD1-CB 3.99Å; Y842-R912 HydrophobicContact CD1-CG 4.25Å; Y842-R912 HydrophobicContact CE1-CB 3.65Å; Y842-R912 HydrophobicContact CE1-CG 3.6Å; S898-R912 PolarHBondContact OG-NH2 2.97Å; F901-R912 HydrophobicContact CE1-CB 4.48Å; F901-R912 HydrophobicContact CE2-CB 4.41Å; F901-R912 HydrophobicContact CZ-CB 4.29Å; R912-I920 HydrophobicContact CB-CD1 4.33Å; R912-I920 HydrophobicContact CG-CD1 3.68Å; R912-I920 WeakPolarHBondContact O-CG1 3.21Å |
| 913 | M | 48.5 | Very low | 43.4 | Very low | 33 Ų | 33 | 64.5 Ų | 64.5 | 16% | 0.163 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 149.4 | 176.5 | -55.6 | -62.5 | -70.8 | 0 | 0 | 111.8 | Q841 V843 I911 G917 | Q841-M913 HydrophobicContact CB-CB 4.25Å; Q841-M913 WeakPolarHBondContact O-CB 3.05Å; Q841-M913 PolarHBondContact O-N 3.26Å; V843-M913 HydrophobicContact CG2-CG 3.78Å; V843-M913 HydrophobicContact CG2-SD 3.79Å; I911-M913 HydrophobicContact CG2-SD 4.49Å; M913-G917 WeakPolarHBondContact CE-O 3.43Å |
| 914 | N | 46.1 | Very low | 43 | Very low | 37 Ų | 37 | 67.8 Ų | 67.8 | 20% | 0.198 | 39% | 0.391 | C | S | . | . | | | trans | -66.7 | 157.2 | 168.3 | -88.4 | -26.8 | 0 | 0 | 0 | 110.8 | E916 G917 H918 I920 | N914-E916 PolarHBondContact O-N 2.79Å; N914-G917 PolarHBondContact O-N 3.3Å; N914-H918 WeakPolarHBondContact CB-O 3.27Å; N914-H918 PolarHBondContact N-O 3.04Å; N914-I920 HydrophobicContact CB-CG1 4.23Å; N914-I920 WeakPolarHBondContact OD1-CD1 3.33Å; N914-I920 WeakPolarHBondContact OD1-CG1 3.07Å |
| 915 | P | 45.8 | Very low | 42.5 | Very low | 114 Ų | 114 | 72.4 Ų | 72.4 | 74% | 0.74 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.3 | 174.4 | 25.5 | -34.9 | 0 | 0 | 0 | 113.2 | G917 | P915-G917 VanDerWaalsContact C-N 3.3Š|
| 916 | E | 50.5 | Low | 42.1 | Very low | 152 Ų | 152 | 75.2 Ų | 75.2 | 71% | 0.71 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -6.4 | 175.4 | -68.4 | 146.9 | -165.8 | 0 | 0 | 114 | N914 | N914-E916 PolarHBondContact O-N 2.79Š|
| 917 | G | 42.3 | Very low | 41.7 | Very low | 43 Ų | 43 | 73 Ų | 73 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 88.9 | -1.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | M913 N914 P915 | M913-G917 WeakPolarHBondContact CE-O 3.43Å; N914-G917 PolarHBondContact O-N 3.3Å; P915-G917 VanDerWaalsContact C-N 3.3Å |
| 918 | H | 45.2 | Very low | 41.2 | Very low | 123 Ų | 123 | 77.8 Ų | 77.8 | 57% | 0.569 | 41% | 0.409 | S | S | * | . | | | trans | -80.7 | 153.2 | 173.2 | -61.4 | -64.5 | 0 | 0 | 0 | 112.8 | N914 | N914-H918 WeakPolarHBondContact CB-O 3.27Å; N914-H918 PolarHBondContact N-O 3.04Å |
| 919 | S | 41 | Very low | 40.9 | Very low | 58 Ų | 58 | 81.6 Ų | 81.6 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 141 | 173.3 | -56 | 0 | 0 | 0 | 0 | 111.2 | S921 | S919-S921 PolarHBondContact O-N 2.91Å; S919-S921 VanDerWaalsContact O-N 3.16Å |
| 920 | I | 43.7 | Very low | 40.1 | Very low | 3 Ų | 3 | 83.3 Ų | 83.3 | 2% | 0.015 | 44% | 0.44 | C | S | . | . | | | trans | -85.7 | 93.4 | -176.1 | -52.7 | -165.5 | 0 | 0 | 0 | 112 | S898 A900 R912 N914 | S898-I920 WeakPolarHBondContact O-CG2 3.45Å; A900-I920 HydrophobicContact CB-CB 4.09Å; A900-I920 WeakPolarHBondContact CB-O 3.42Å; A900-I920 PolarHBondContact N-O 3.16Å; R912-I920 HydrophobicContact CB-CD1 4.33Å; R912-I920 HydrophobicContact CG-CD1 3.68Å; R912-I920 WeakPolarHBondContact O-CG1 3.21Å; N914-I920 HydrophobicContact CB-CG1 4.23Å; N914-I920 WeakPolarHBondContact OD1-CD1 3.33Å; N914-I920 WeakPolarHBondContact OD1-CG1 3.07Å |
| 921 | S | 36.1 | Very low | 39.6 | Very low | 65 Ų | 65 | 88.4 Ų | 88.4 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 66.3 | 160.3 | 165.6 | 81.7 | 0 | 0 | 0 | 0 | 117.8 | R899 S919 | R899-S921 WeakPolarHBondContact CA-OG 3.49Å; S919-S921 PolarHBondContact O-N 2.91Å; S919-S921 VanDerWaalsContact O-N 3.16Å |
| 922 | G | 33.9 | Very low | 38.5 | Very low | 44 Ų | 44 | 91.4 Ų | 91.4 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 99.1 | 65.9 | 156 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 923 | N | 30.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 93.5 Ų | 93.5 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | | | trans | 49.7 | 112.8 | 173.6 | -78.5 | -12.7 | 0 | 0 | 0 | 115.5 | R925 Q926 | N923-R925 PolarHBondContact O-N 2.92Å; N923-Q926 PolarHBondContact O-N 3.14Å |
| 924 | D | 35.1 | Very low | 36.7 | Very low | 126 Ų | 126 | 95.7 Ų | 95.7 | 67% | 0.674 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.3 | -20.2 | 178.5 | -64.6 | -67.1 | 0 | 0 | 0 | 115 | R928 | D924-R928 WeakPolarHBondContact O-CG 3.37Å; D924-R928 PolarHBondContact O-N 2.96Å |
| 925 | R | 33.7 | Very low | 36 | Very low | 211 Ų | 211 | 100.5 Ų | 100.5 | 80% | 0.796 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.7 | -46.9 | 168.7 | -63.1 | -174 | 179.3 | -166.1 | -1 | 112.7 | N923 I927 R928 T929 | N923-R925 PolarHBondContact O-N 2.92Å; R925-I927 PolarHBondContact O-N 2.66Å; R925-R928 PolarHBondContact O-N 3.4Å; R925-T929 PolarHBondContact O-N 3.38Å; R925-T929 PolarHBondContact O-OG1 3.34Å; R925-T929 VanDerWaalsContact O-OG1 3.04Å |
| 926 | Q | 36.4 | Very low | 35.3 | Very low | 140 Ų | 140 | 98.5 Ų | 98.5 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -36.6 | -176.5 | -69.4 | -166.5 | -4 | 0 | 0 | 112.7 | N923 | N923-Q926 PolarHBondContact O-N 3.14Å |
| 927 | I | 32.2 | Very low | 34.4 | Very low | 54 Ų | 54 | 96.3 Ų | 96.3 | 28% | 0.277 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 177.3 | -62 | -179.7 | 0 | 0 | 0 | 110.1 | R925 T929 I930 Y931 | R925-I927 PolarHBondContact O-N 2.66Å; I927-T929 PolarHBondContact O-N 2.85Å; I927-I930 PolarHBondContact O-N 3.16Å; I927-Y931 HydrophobicContact CG2-CD2 4.48Å; I927-Y931 HydrophobicContact CG2-CE2 3.9Å; I927-Y931 WeakPolarHBondContact O-CD2 3.35Å |
| 928 | R | 31.9 | Very low | 33.8 | Very low | 140 Ų | 140 | 100.1 Ų | 100.1 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 178.1 | -76.1 | 174.9 | -176.5 | -111.6 | -11.6 | 113.3 | D924 R925 I930 Y931 | D924-R928 WeakPolarHBondContact O-CG 3.37Å; D924-R928 PolarHBondContact O-N 2.96Å; R925-R928 PolarHBondContact O-N 3.4Å; R928-I930 PolarHBondContact O-N 3.2Å; R928-I930 VanDerWaalsContact O-N 3.08Å; R928-Y931 PolarHBondContact O-N 3.12Å |
| 929 | T | 32 | Very low | 32.9 | Very low | 94 Ų | 94 | 100.6 Ų | 100.6 | 58% | 0.577 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.6 | -24.7 | 179.3 | -46.8 | 0 | 0 | 0 | 0 | 113.5 | R925 I927 Y931 | R925-T929 PolarHBondContact O-N 3.38Å; R925-T929 PolarHBondContact O-OG1 3.34Å; R925-T929 VanDerWaalsContact O-OG1 3.04Å; I927-T929 PolarHBondContact O-N 2.85Å; T929-Y931 VanDerWaalsContact C-N 3.29Å; T929-Y931 PolarHBondContact O-N 2.87Å |
| 930 | I | 34.3 | Very low | 32.3 | Very low | 72 Ų | 72 | 105.7 Ų | 105.7 | 37% | 0.369 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | -18.1 | 178.9 | -58.3 | 175.2 | 0 | 0 | 0 | 112.1 | I927 R928 | I927-I930 PolarHBondContact O-N 3.16Å; R928-I930 PolarHBondContact O-N 3.2Å; R928-I930 VanDerWaalsContact O-N 3.08Å |
| 931 | Y | 32 | Very low | 31.4 | Very low | 152 Ų | 152 | 109.9 Ų | 109.9 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -0.5 | -171.1 | -68.8 | -74.8 | 0 | 0 | 0 | 115.5 | I927 R928 T929 | I927-Y931 HydrophobicContact CG2-CD2 4.48Å; I927-Y931 HydrophobicContact CG2-CE2 3.9Å; I927-Y931 WeakPolarHBondContact O-CD2 3.35Å; R928-Y931 PolarHBondContact O-N 3.12Å; T929-Y931 VanDerWaalsContact C-N 3.29Å; T929-Y931 PolarHBondContact O-N 2.87Å |
| 932 | T | 31.7 | Very low | 30.9 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -121.5 | -8.3 | -163.4 | 52.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 933 | T | 27.3 | Very low | 30.7 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 49% | 0.491 | 66% | 0.658 | S | S | . | * | | | trans | -131.8 | 91 | -173.2 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | Q935 | T933-Q935 PolarHBondContact O-N 2.95Š|
| 934 | P | 29.5 | Very low | 30.7 | Very low | 79 Ų | 79 | 117.4 Ų | 117.4 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | 37.7 | -179.9 | 35 | -37.5 | 0 | 0 | 0 | 113.9 | | |
| 935 | Q | 31.9 | Very low | 30.5 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 64% | 0.64 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.8 | -1.2 | -175.9 | -121.5 | 154.7 | -13.9 | 0 | 0 | 117.2 | N823 T933 | N823-Q935 PolarHBondContact ND2-OE1 3.08Å; T933-Q935 PolarHBondContact O-N 2.95Å |
| 936 | S | 29.3 | Very low | 30.3 | Very low | 73 Ų | 73 | 111.7 Ų | 111.7 | 51% | 0.51 | 65% | 0.649 | S | S | . | * | | | trans | -132.9 | 24.7 | -169.3 | 69.8 | 0 | 0 | 0 | 0 | 115.2 | T938 | S936-T938 VanDerWaalsContact C-N 3.25Å; S936-T938 PolarHBondContact O-N 3.46Å |
| 937 | A | 32.3 | Very low | 29.9 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 88% | 0.876 | 65% | 0.649 | S | S | * | * | | | trans | -81.8 | 1.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 938 | T | 29.4 | Very low | 29.8 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -103.3 | 138.8 | 168.4 | -44 | 0 | 0 | 0 | 0 | 107.8 | S936 | S936-T938 VanDerWaalsContact C-N 3.25Å; S936-T938 PolarHBondContact O-N 3.46Å |
| 939 | T | 26.8 | Very low | 29.6 | Very low | 132 Ų | 132 | 111.8 Ų | 111.8 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | | | trans | 72.5 | 79.1 | -177.9 | -45.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 940 | L | 28.3 | Very low | 29.5 | Very low | 165 Ų | 165 | 113.1 Ų | 113.1 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | | | trans | -152.1 | 63.7 | 144.5 | -116.9 | 174.2 | 0 | 0 | 0 | 110.6 | | |
| 941 | A | 24.8 | Very low | 29.1 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | | | trans | -89.5 | 159.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 942 | A | 24.8 | Very low | 28.9 | Very low | 84 Ų | 84 | 113.3 Ų | 113.3 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | | | trans | 68.6 | 78.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 943 | T | 30.2 | Very low | 28.6 | Very low | 191 Ų | 191 | 114.6 Ų | 114.6 | 100% | 1.172 | 73% | 0.734 | S | S | * | * | | | | -145.2 | 0 | 114.7 | -26.3 | 0 | 0 | 0 | 0 | 109.3 | | |