| 1 | M | 53.7 | Low | 55.7 | Low | 254 Ų | 254 | 151.8 Ų | 151.8 | 100% | 1.251 | 80% | 0.795 | S | S | * | * | | | | 0 | 109.6 | 0 | -69.2 | -160.6 | -70.7 | 0 | 0 | 108 | | |
| 2 | G | 64.4 | Low | 55 | Low | 81 Ų | 81 | 151.4 Ų | 151.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | 157.4 | 97.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 3 | Q | 67.3 | Low | 54.3 | Low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -79.4 | 151.4 | -160.6 | -65.5 | 170.9 | 12.7 | 0 | 0 | 114.6 | | |
| 4 | E | 57.1 | Low | 53.5 | Low | 168 Ų | 168 | 150.5 Ų | 150.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -66 | 159.8 | 164.5 | 52.9 | -119.7 | 122.5 | 0 | 0 | 114.1 | | |
| 5 | I | 62.5 | Low | 52.7 | Low | 159 Ų | 159 | 150.7 Ų | 150.7 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | | | trans | -163.6 | 122.2 | 140.2 | -86.9 | 130.7 | 0 | 0 | 0 | 109.6 | | |
| 6 | S | 55.9 | Low | 51.8 | Low | 109 Ų | 109 | 150.6 Ų | 150.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -105.6 | 146.1 | 162.5 | 174.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 7 | Q | 54.5 | Low | 51.1 | Low | 148 Ų | 148 | 149.7 Ų | 149.7 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | -173.8 | 123.8 | 152.8 | -105.7 | -179.5 | 92.7 | 0 | 0 | 113.8 | | |
| 8 | Q | 55 | Low | 50.4 | Low | 143 Ų | 143 | 149.6 Ų | 149.6 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | | | trans | 71.1 | 146.4 | 134.2 | -68.4 | 178.5 | 32.1 | 0 | 0 | 119.5 | | |
| 9 | Q | 48.9 | Very low | 49.5 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | cis | -165.9 | 131.9 | 31.9 | -129.4 | 161.8 | 39 | 0 | 0 | 108.1 | | |
| 10 | N | 46 | Very low | 48.8 | Very low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | | 54.6 | 136.4 | 92.8 | -113.9 | -12.8 | 0 | 0 | 0 | 114.4 | | |
| 11 | Q | 47.9 | Very low | 48.1 | Very low | 129 Ų | 129 | 149.8 Ų | 149.8 | 60% | 0.603 | 74% | 0.744 | S | S | * | * | | | cis | 174.4 | 142.7 | 38.7 | -142.7 | -174.2 | 102 | 0 | 0 | 105.3 | | |
| 12 | Q | 46.7 | Very low | 47.4 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | | 161 | 131.8 | 93.7 | -80.2 | -142.6 | -17.9 | 0 | 0 | 112.7 | | |
| 13 | H | 46.7 | Very low | 46.1 | Very low | 135 Ų | 135 | 149.3 Ų | 149.3 | 63% | 0.625 | 72% | 0.717 | S | S | * | * | | | trans | 54.3 | 114.5 | 136.5 | -55 | 97.7 | 0 | 0 | 0 | 121.8 | | |
| 14 | Q | 42.1 | Very low | 44.7 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | | | | 80.8 | 142.8 | 69.2 | -102.7 | -159 | 67.7 | 0 | 0 | 115.7 | | |
| 15 | Q | 42.1 | Very low | 44 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | | | trans | 96.1 | 107.4 | 162.4 | -52.4 | -153.3 | 6.6 | 0 | 0 | 115.6 | | |
| 16 | H | 37.5 | Very low | 42.7 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | | | | 64 | 135.8 | 90.3 | -70.4 | -52.6 | 0 | 0 | 0 | 110.7 | | |
| 17 | Q | 41.1 | Very low | 41.9 | Very low | 135 Ų | 135 | 148 Ų | 148 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | | | cis | 176.3 | 159.3 | 20.6 | -121.3 | -177.9 | 71.3 | 0 | 0 | 105.4 | | |
| 18 | Q | 38.2 | Very low | 41.1 | Very low | 147 Ų | 147 | 150 Ų | 150 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | | | trans | 69 | 110 | 145.9 | -66.7 | -162.6 | 30.4 | 0 | 0 | 118.8 | | |
| 19 | H | 32.9 | Very low | 40.5 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | | | | 76.7 | 133.3 | 88.9 | -91.3 | -71.5 | 0 | 0 | 0 | 114.7 | | |
| 20 | Q | 36 | Very low | 40.1 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | 79.9 | 145.6 | 160.2 | -42.1 | -138.8 | 87.4 | 0 | 0 | 114.1 | | |
| 21 | Q | 34.6 | Very low | 40 | Very low | 127 Ų | 127 | 155 Ų | 155 | 59% | 0.593 | 73% | 0.732 | S | S | * | * | | | cis | -178.6 | 163.1 | -3.8 | -113.7 | -167.9 | 60.9 | 0 | 0 | 104.1 | | |
| 22 | Q | 37.7 | Very low | 39.7 | Very low | 144 Ų | 144 | 156.9 Ų | 156.9 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | | | trans | 72.7 | 108.4 | 151.9 | -70.4 | 172.4 | 50 | 0 | 0 | 118.3 | | |
| 23 | Q | 37.9 | Very low | 39.2 | Very low | 180 Ų | 180 | 161.1 Ų | 161.1 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | | 85.4 | 122.1 | 82.7 | -78.1 | -171.8 | 58.5 | 0 | 0 | 114.7 | | |
| 24 | L | 37.6 | Very low | 39.1 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | trans | -7.3 | 158.1 | 160.8 | -88.6 | 80.1 | 0 | 0 | 0 | 119.7 | | |
| 25 | P | 41.7 | Very low | 38.9 | Very low | 112 Ų | 112 | 160 Ų | 160 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | cis | -152.1 | 173 | 49.1 | 36.6 | -12.6 | 0 | 0 | 0 | 119.3 | | |
| 26 | H | 35.9 | Very low | 38.9 | Very low | 157 Ų | 157 | 161.8 Ų | 161.8 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -17.4 | 144 | 159.2 | -88.3 | -89.3 | 0 | 0 | 0 | 116.8 | | |
| 27 | H | 39.4 | Very low | 38.8 | Very low | 168 Ų | 168 | 160.3 Ų | 160.3 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | | -176.5 | 126 | 119.6 | -76.7 | -34.7 | 0 | 0 | 0 | 113.8 | | |
| 28 | K | 36.9 | Very low | 38.5 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | 30.7 | 125.4 | 140.2 | -57.3 | -170.6 | 178.6 | -177.4 | 0 | 119.7 | | |
| 29 | R | 42.2 | Very low | 38.3 | Very low | 251 Ų | 251 | 157.9 Ų | 157.9 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | | | | -175.7 | 154.4 | 105.7 | -99.3 | 172.6 | 174.3 | -159 | -1.5 | 113.6 | | |
| 30 | Q | 42 | Very low | 38.4 | Very low | 190 Ų | 190 | 154.7 Ų | 154.7 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | trans | -87.7 | -179.5 | -160.9 | -108.5 | -163.3 | -5.2 | 0 | 0 | 113.7 | | |
| 31 | P | 42.7 | Very low | 38.4 | Very low | 107 Ų | 107 | 153.1 Ų | 153.1 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -94.6 | 154.7 | -147.2 | 38.3 | -35.1 | 0 | 0 | 0 | 114.5 | | |
| 32 | Q | 41.4 | Very low | 38.7 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -122.5 | 114.8 | 157.9 | -88.1 | -151.6 | -13.1 | 0 | 0 | 111.1 | | |
| 33 | R | 36.4 | Very low | 38.8 | Very low | 236 Ų | 236 | 153 Ų | 153 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | trans | -57.4 | 133 | 159.3 | -64.8 | 168.2 | 68.4 | -169.1 | 2.1 | 108.6 | | |
| 34 | K | 44.6 | Very low | 38.9 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | | | trans | -151 | 110.8 | 147.8 | -98 | 139.6 | -178.5 | -177.4 | 0 | 108.3 | | |
| 35 | S | 37.3 | Very low | 39.5 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | trans | -51.8 | 141 | 162.5 | 40.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 36 | F | 42.3 | Very low | 39.6 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | | | | 166.9 | 133.8 | 104.2 | -94.8 | -76.4 | 0 | 0 | 0 | 110.9 | | |
| 37 | S | 35.9 | Very low | 40 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | 39.3 | 120.7 | 139 | -156.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 38 | G | 34.6 | Very low | 40.6 | Very low | 59 Ų | 59 | 151 Ų | 151 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | trans | 149.4 | 97.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 39 | I | 33.7 | Very low | 41 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | | | trans | 30.6 | 112.1 | 132.5 | 0.1 | 177.6 | 0 | 0 | 0 | 116.7 | | |
| 40 | S | 36.2 | Very low | 40.9 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | | 168.6 | 127 | 127.5 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 41 | T | 35.1 | Very low | 40.9 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | | | trans | 31.1 | 115.2 | 139.3 | 61 | 0 | 0 | 0 | 0 | 117.6 | | |
| 42 | T | 40.8 | Very low | 40.6 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | 177.7 | 117.1 | 132.3 | 28.2 | 0 | 0 | 0 | 0 | 110.8 | Q44 | T42-Q44 PolarHBondContact O-N 3.28Š|
| 43 | N | 39.4 | Very low | 40.8 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | 31.5 | 83.4 | 139.2 | -59.5 | -38.4 | 0 | 0 | 0 | 117.4 | | |
| 44 | Q | 42 | Very low | 40.7 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | trans | -148.6 | 134.3 | 147.2 | -69.9 | -54.8 | -22.5 | 0 | 0 | 109.6 | T42 I46 | T42-Q44 PolarHBondContact O-N 3.28Å; Q44-I46 PolarHBondContact O-N 3.11Å |
| 45 | P | 50.3 | Low | 40.5 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | -63.2 | 112.4 | 172.9 | 24.7 | -30.3 | 0 | 0 | 0 | 109.4 | Y47 | P45-Y47 HydrophobicContact CB-CD2 4.38Å; P45-Y47 HydrophobicContact CB-CE2 4.22Å; P45-Y47 HydrophobicContact CG-CE2 4.36Å; P45-Y47 PolarHBondContact O-N 3.36Å |
| 46 | I | 43.1 | Very low | 40.5 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | | | trans | -72.8 | 92.6 | 170.2 | -62.4 | 172.3 | 0 | 0 | 0 | 106.9 | Q44 T48 | Q44-I46 PolarHBondContact O-N 3.11Å; I46-T48 HydrophobicContact CG2-CG2 3.66Å; I46-T48 PolarHBondContact O-N 3.14Å; I46-T48 VanDerWaalsContact O-N 3.1Å |
| 47 | Y | 43.1 | Very low | 40.1 | Very low | 215 Ų | 215 | 127.3 Ų | 127.3 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | | | trans | -73.1 | 95.9 | 162.7 | -80.6 | -84.2 | 0 | 0 | 0 | 108.2 | P45 | P45-Y47 HydrophobicContact CB-CD2 4.38Å; P45-Y47 HydrophobicContact CB-CE2 4.22Å; P45-Y47 HydrophobicContact CG-CE2 4.36Å; P45-Y47 PolarHBondContact O-N 3.36Å |
| 48 | T | 53 | Low | 40.3 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | trans | -94.1 | 124.4 | 163.6 | 40.8 | 0 | 0 | 0 | 0 | 108.2 | I46 T50 | I46-T48 HydrophobicContact CG2-CG2 3.66Å; I46-T48 PolarHBondContact O-N 3.14Å; I46-T48 VanDerWaalsContact O-N 3.1Å; T48-T50 VanDerWaalsContact C-N 3.33Å; T48-T50 PolarHBondContact O-N 3.31Å |
| 49 | P | 45.9 | Very low | 40.4 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | | | trans | -75.2 | 92.3 | 174.3 | 29.5 | -29.9 | 0 | 0 | 0 | 108.2 | S51 | P49-S51 PolarHBondContact O-N 3.33Å; P49-S51 VanDerWaalsContact O-N 3.15Å |
| 50 | T | 38.7 | Very low | 40.8 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | trans | -76.2 | 99.6 | 165.9 | -166.6 | 0 | 0 | 0 | 0 | 108.4 | T48 | T48-T50 VanDerWaalsContact C-N 3.33Å; T48-T50 PolarHBondContact O-N 3.31Å |
| 51 | S | 42.4 | Very low | 40.9 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 44% | 0.441 | 75% | 0.752 | S | S | . | * | | | | 87.8 | 110.6 | 114.6 | 83.4 | 0 | 0 | 0 | 0 | 119.2 | P49 | P49-S51 PolarHBondContact O-N 3.33Å; P49-S51 VanDerWaalsContact O-N 3.15Å |
| 52 | H | 37.1 | Very low | 41.3 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | trans | 54.6 | 88.9 | 143.3 | 51.3 | -111.7 | 0 | 0 | 0 | 120.2 | | |
| 53 | L | 44.7 | Very low | 41.3 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | | | trans | -118.4 | 95.9 | 147.3 | -83.5 | 131.9 | 0 | 0 | 0 | 109.1 | | |
| 54 | S | 35.5 | Very low | 41.5 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -74.5 | 111.1 | 162.3 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 55 | T | 39.9 | Very low | 41.3 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | | | trans | 173.2 | 131.1 | 162.1 | 29 | 0 | 0 | 0 | 0 | 106.4 | | |
| 56 | S | 37.1 | Very low | 41 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | cis | -161.5 | 136.5 | -4 | -76.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 57 | S | 33.9 | Very low | 40.8 | Very low | 128 Ų | 128 | 138 Ų | 138 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | -1.4 | 113.8 | 152.4 | -41.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 58 | S | 40.3 | Very low | 41 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -147.5 | 89.6 | 149.2 | 58.4 | 0 | 0 | 0 | 0 | 110 | | |
| 59 | S | 35.6 | Very low | 40.3 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 21 | 102.6 | 145.2 | 55 | 0 | 0 | 0 | 0 | 117.6 | | |
| 60 | I | 42 | Very low | 40.4 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | | | trans | -117.1 | 109.4 | 150.1 | -59.6 | -178.4 | 0 | 0 | 0 | 106.6 | T62 | I60-T62 PolarHBondContact O-N 3.11Š|
| 61 | N | 38.3 | Very low | 40.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | trans | -63.5 | 119 | 168.9 | -74.5 | -19.4 | 0 | 0 | 0 | 109.2 | | |
| 62 | T | 44 | Very low | 40.9 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -155.9 | 112.7 | 145.3 | 9.5 | 0 | 0 | 0 | 0 | 108.8 | I60 D64 | I60-T62 PolarHBondContact O-N 3.11Å; T62-D64 PolarHBondContact O-N 2.82Å |
| 63 | N | 41.1 | Very low | 41.7 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | -46 | 127 | 159.5 | -73.5 | -24.3 | 0 | 0 | 0 | 108.9 | | |
| 64 | D | 43.8 | Very low | 42.3 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | | -167.5 | 120.9 | 128.7 | -96.3 | -31.1 | 0 | 0 | 0 | 111 | T62 S66 | T62-D64 PolarHBondContact O-N 2.82Å; D64-S66 PolarHBondContact O-N 3.18Å |
| 65 | Y | 37.4 | Very low | 43.4 | Very low | 233 Ų | 233 | 136.4 Ų | 136.4 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | | | trans | -58.7 | 123.8 | 166.7 | -83.3 | -103.7 | 0 | 0 | 0 | 109.8 | | |
| 66 | S | 43.5 | Very low | 44.7 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -177.7 | 101.1 | 136.4 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | D64 N68 | D64-S66 PolarHBondContact O-N 3.18Å; S66-N68 PolarHBondContact O-N 3.22Å |
| 67 | H | 38.5 | Very low | 46.5 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | | | trans | -66.7 | 120.3 | 154 | -86.4 | 21.1 | 0 | 0 | 0 | 108 | | |
| 68 | N | 47.6 | Very low | 48.5 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | trans | -150.2 | 120.7 | 145.9 | -102.3 | -41.8 | 0 | 0 | 0 | 111.9 | S66 T70 | S66-N68 PolarHBondContact O-N 3.22Å; N68-T70 PolarHBondContact O-N 3.04Å |
| 69 | N | 39.3 | Very low | 50.3 | Low | 167 Ų | 167 | 134.8 Ų | 134.8 | 89% | 0.893 | 73% | 0.728 | S | S | * | * | | | trans | -42 | 113.6 | 160.9 | -94 | -38.1 | 0 | 0 | 0 | 110.2 | | |
| 70 | T | 47.4 | Very low | 52.5 | Low | 113 Ų | 113 | 136.5 Ų | 136.5 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | | | trans | -146.6 | 89.6 | 162.6 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | N68 | N68-T70 PolarHBondContact O-N 3.04Š|
| 71 | S | 45.2 | Very low | 54.5 | Low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | | | trans | 27.6 | 100.8 | 137.4 | -143.3 | 0 | 0 | 0 | 0 | 118 | N73 | S71-N73 VanDerWaalsContact C-N 3.31Å; S71-N73 PolarHBondContact O-N 2.96Å |
| 72 | N | 47.4 | Very low | 56.8 | Low | 167 Ų | 167 | 134.7 Ų | 134.7 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | S | Bend | | 43.8 | 29.3 | 124.9 | -109.3 | -0.4 | 0 | 0 | 0 | 121.4 | | |
| 73 | N | 53.8 | Low | 58.8 | Low | 122 Ų | 122 | 136.9 Ų | 136.9 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | | | trans | -135.9 | 18.4 | 171.7 | -121.1 | -30.7 | 0 | 0 | 0 | 114.3 | S71 N75 | S71-N73 VanDerWaalsContact C-N 3.31Å; S71-N73 PolarHBondContact O-N 2.96Å; N73-N75 PolarHBondContact O-N 2.67Å |
| 74 | N | 56 | Low | 60.9 | Low | 93 Ų | 93 | 134.1 Ų | 134.1 | 50% | 0.497 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -76.1 | -12.8 | -169 | -96.4 | -28.5 | 0 | 0 | 0 | 115.8 | N76 N77 Q78 | N74-N76 VanDerWaalsContact C-N 3.33Å; N74-N76 PolarHBondContact O-N 3Å; N74-N77 PolarHBondContact O-N 3.14Å; N74-Q78 VanDerWaalsContact O-CG 3.26Å; N74-Q78 WeakPolarHBondContact O-CG 3.42Å; N74-Q78 PolarHBondContact O-N 3.1Å |
| 75 | N | 59.4 | Low | 63 | Low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.2 | -34.5 | -178.8 | -79.5 | -21.8 | 0 | 0 | 0 | 112.9 | N73 N79 | N73-N75 PolarHBondContact O-N 2.67Å; N75-N79 WeakPolarHBondContact O-CB 3.29Å; N75-N79 PolarHBondContact O-N 3.09Å; N75-N79 VanDerWaalsContact O-N 3.12Å |
| 76 | N | 67.4 | Low | 65.2 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 66% | 0.658 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73 | -37.9 | 176.4 | -80.8 | -17.7 | 0 | 0 | 0 | 112.3 | N74 N79 Y80 | N74-N76 VanDerWaalsContact C-N 3.33Å; N74-N76 PolarHBondContact O-N 3Å; N76-N79 PolarHBondContact O-N 3.47Å; N76-Y80 WeakPolarHBondContact O-CB 3.3Å; N76-Y80 PolarHBondContact O-N 3.47Å |
| 77 | N | 74.4 | Confident | 67 | Low | 98 Ų | 98 | 127.9 Ų | 127.9 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.7 | -35.5 | 177.8 | -78.2 | -27.2 | 0 | 0 | 0 | 112.5 | N74 Y80 R81 | N74-N77 PolarHBondContact O-N 3.14Å; N77-Y80 PolarHBondContact O-N 2.76Å; N77-R81 WeakPolarHBondContact O-CB 3.42Å; N77-R81 WeakPolarHBondContact O-CG 3.48Å; N77-R81 PolarHBondContact O-N 3.25Å |
| 78 | Q | 75.9 | Confident | 69.1 | Low | 82 Ų | 82 | 124.4 Ų | 124.4 | 38% | 0.383 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.2 | -43.9 | 172.9 | -67.2 | -62.7 | -24.9 | 0 | 0 | 111 | N74 Y80 R81 L82 | N74-Q78 VanDerWaalsContact O-CG 3.26Å; N74-Q78 WeakPolarHBondContact O-CG 3.42Å; N74-Q78 PolarHBondContact O-N 3.1Å; Q78-Y80 PolarHBondContact O-N 3.36Å; Q78-R81 PolarHBondContact O-N 2.74Å; Q78-L82 WeakPolarHBondContact O-CB 3.42Å; Q78-L82 VanDerWaalsContact O-CG 3.24Å; Q78-L82 WeakPolarHBondContact O-CG 3.4Å; Q78-L82 PolarHBondContact O-N 3.36Å |
| 79 | N | 79.1 | Confident | 70.9 | Confident | 110 Ų | 110 | 120.8 Ų | 120.8 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.8 | -42.9 | 174.3 | -116.3 | -68.4 | 0 | 0 | 0 | 112.2 | N75 N76 L82 R83 | N75-N79 WeakPolarHBondContact O-CB 3.29Å; N75-N79 PolarHBondContact O-N 3.09Å; N75-N79 VanDerWaalsContact O-N 3.12Å; N76-N79 PolarHBondContact O-N 3.47Å; N79-L82 PolarHBondContact O-N 2.8Å; N79-R83 VanDerWaalsContact O-CB 3.28Å; N79-R83 WeakPolarHBondContact O-CB 3.42Å; N79-R83 PolarHBondContact O-N 3.22Å |
| 80 | Y | 81.5 | Confident | 73 | Confident | 145 Ų | 145 | 118.2 Ų | 118.2 | 57% | 0.569 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62 | -45.2 | 176.7 | -168.7 | -96.3 | 0 | 0 | 0 | 111.7 | N76 N77 Q78 R83 H84 | N76-Y80 WeakPolarHBondContact O-CB 3.3Å; N76-Y80 PolarHBondContact O-N 3.47Å; N77-Y80 PolarHBondContact O-N 2.76Å; Q78-Y80 PolarHBondContact O-N 3.36Å; Y80-R83 PolarHBondContact O-N 3.13Å; Y80-H84 AromaticContact CD1-CD2 3.56Å; Y80-H84 AromaticContact CE1-CD2 3.17Å; Y80-H84 WeakPolarHBondContact CE1-CD2 3.29Å; Y80-H84 AromaticContact CE1-NE2 3.23Å; Y80-H84 WeakPolarHBondContact CE1-NE2 3.37Å; Y80-H84 AromaticContact CE2-NE2 3.74Å; Y80-H84 AromaticContact CZ-CD2 3.44Å; Y80-H84 VanDerWaalsContact CZ-CD2 3.44Å; Y80-H84 AromaticContact CZ-NE2 3.03Å; Y80-H84 PolarHBondContact O-CD2 3.45Å; Y80-H84 PolarHBondContact O-N 3.48Å; Y80-H84 PolarHBondContact OH-NE2 3.42Å |
| 81 | R | 84.4 | Confident | 74.4 | Confident | 168 Ų | 168 | 119.2 Ų | 119.2 | 63% | 0.634 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.7 | -46.1 | 174.2 | -83.9 | 175.3 | 61.2 | 178.1 | -1.5 | 112.3 | N77 Q78 H84 K85 | N77-R81 WeakPolarHBondContact O-CB 3.42Å; N77-R81 WeakPolarHBondContact O-CG 3.48Å; N77-R81 PolarHBondContact O-N 3.25Å; Q78-R81 PolarHBondContact O-N 2.74Å; R81-H84 PolarHBondContact O-N 2.85Å; R81-K85 WeakPolarHBondContact O-CB 3.32Å; R81-K85 PolarHBondContact O-N 3.11Å |
| 82 | L | 85.2 | Confident | 75.7 | Confident | 100 Ų | 100 | 117.9 Ų | 117.9 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -42.5 | 179.8 | -72.8 | 170.1 | 0 | 0 | 0 | 111.5 | Q78 N79 K85 Y86 | Q78-L82 WeakPolarHBondContact O-CB 3.42Å; Q78-L82 VanDerWaalsContact O-CG 3.24Å; Q78-L82 WeakPolarHBondContact O-CG 3.4Å; Q78-L82 PolarHBondContact O-N 3.36Å; N79-L82 PolarHBondContact O-N 2.8Å; L82-K85 PolarHBondContact O-N 2.8Å; L82-Y86 WeakPolarHBondContact O-CB 3.15Å; L82-Y86 PolarHBondContact O-N 3.07Å |
| 83 | R | 85.9 | Confident | 77 | Confident | 175 Ų | 175 | 116.3 Ų | 116.3 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -41.2 | 177.7 | -169 | 174.8 | -176.6 | -129 | 1.3 | 112.1 | N79 Y80 Y86 N87 | N79-R83 VanDerWaalsContact O-CB 3.28Å; N79-R83 WeakPolarHBondContact O-CB 3.42Å; N79-R83 PolarHBondContact O-N 3.22Å; Y80-R83 PolarHBondContact O-N 3.13Å; R83-Y86 PolarHBondContact O-N 3.45Å; R83-N87 WeakPolarHBondContact O-CB 3.41Å; R83-N87 PolarHBondContact O-N 2.94Å; R83-N87 PolarHBondContact O-ND2 3.46Å |
| 84 | H | 85.6 | Confident | 77.6 | Confident | 92 Ų | 92 | 115 Ų | 115 | 43% | 0.426 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 173.6 | -90.9 | -70.1 | 0 | 0 | 0 | 112.6 | Y80 R81 Y86 N87 L88 | Y80-H84 AromaticContact CD1-CD2 3.56Å; Y80-H84 AromaticContact CE1-CD2 3.17Å; Y80-H84 WeakPolarHBondContact CE1-CD2 3.29Å; Y80-H84 AromaticContact CE1-NE2 3.23Å; Y80-H84 WeakPolarHBondContact CE1-NE2 3.37Å; Y80-H84 AromaticContact CE2-NE2 3.74Å; Y80-H84 AromaticContact CZ-CD2 3.44Å; Y80-H84 VanDerWaalsContact CZ-CD2 3.44Å; Y80-H84 AromaticContact CZ-NE2 3.03Å; Y80-H84 PolarHBondContact O-CD2 3.45Å; Y80-H84 PolarHBondContact O-N 3.48Å; Y80-H84 PolarHBondContact OH-NE2 3.42Å; R81-H84 PolarHBondContact O-N 2.85Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; H84-Y86 PolarHBondContact O-N 2.77Å; H84-N87 PolarHBondContact O-N 3.02Å; H84-L88 WeakPolarHBondContact O-CB 3.37Å; H84-L88 PolarHBondContact O-N 2.9Å |
| 85 | K | 87.4 | Confident | 78.1 | Confident | 142 Ų | 142 | 120.3 Ų | 120.3 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.8 | -42.6 | 175.6 | -162.6 | 178.8 | 84.5 | 173.9 | 0 | 111.5 | R81 L82 S89 | R81-K85 WeakPolarHBondContact O-CB 3.32Å; R81-K85 PolarHBondContact O-N 3.11Å; L82-K85 PolarHBondContact O-N 2.8Å; K85-S89 WeakPolarHBondContact O-CB 3.45Å; K85-S89 PolarHBondContact O-N 3.3Å; K85-S89 PolarHBondContact O-OG 3.38Å |
| 86 | Y | 84.9 | Confident | 78.1 | Confident | 153 Ų | 153 | 116.8 Ų | 116.8 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 175.8 | -179.3 | -98.8 | 0 | 0 | 0 | 111.9 | L82 R83 H84 L88 S89 K90 | L82-Y86 WeakPolarHBondContact O-CB 3.15Å; L82-Y86 PolarHBondContact O-N 3.07Å; R83-Y86 PolarHBondContact O-N 3.45Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; H84-Y86 PolarHBondContact O-N 2.77Å; Y86-L88 PolarHBondContact O-N 3.32Å; Y86-S89 PolarHBondContact O-N 3.48Å; Y86-K90 HydrophobicContact CE1-CD 4.49Å; Y86-K90 WeakPolarHBondContact O-CB 3.26Å; Y86-K90 PolarHBondContact O-N 3.27Å |
| 87 | N | 81.5 | Confident | 77.6 | Confident | 68 Ų | 68 | 116.8 Ų | 116.8 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 177.3 | -80.1 | -21.4 | 0 | 0 | 0 | 112.5 | R83 H84 K90 Q91 | R83-N87 WeakPolarHBondContact O-CB 3.41Å; R83-N87 PolarHBondContact O-N 2.94Å; R83-N87 PolarHBondContact O-ND2 3.46Å; H84-N87 PolarHBondContact O-N 3.02Å; N87-K90 PolarHBondContact O-N 2.9Å; N87-Q91 WeakPolarHBondContact O-CG 3.41Å; N87-Q91 PolarHBondContact O-N 2.97Å |
| 88 | L | 82.2 | Confident | 76.6 | Confident | 111 Ų | 111 | 117.6 Ų | 117.6 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | 176.5 | -170 | 64.5 | 0 | 0 | 0 | 110.6 | H84 Y86 K90 Q91 T92 | H84-L88 WeakPolarHBondContact O-CB 3.37Å; H84-L88 PolarHBondContact O-N 2.9Å; Y86-L88 PolarHBondContact O-N 3.32Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.44Å; L88-Q91 PolarHBondContact O-N 3.02Å; L88-T92 PolarHBondContact O-N 2.88Å; L88-T92 PolarHBondContact O-OG1 2.93Å |
| 89 | S | 85 | Confident | 75.5 | Confident | 66 Ų | 66 | 116 Ų | 116 | 46% | 0.462 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 177.5 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | K85 Y86 T92 Y93 | K85-S89 WeakPolarHBondContact O-CB 3.45Å; K85-S89 PolarHBondContact O-N 3.3Å; K85-S89 PolarHBondContact O-OG 3.38Å; Y86-S89 PolarHBondContact O-N 3.48Å; S89-T92 PolarHBondContact O-N 3.37Å; S89-Y93 WeakPolarHBondContact O-CB 3.35Å; S89-Y93 PolarHBondContact O-N 3.27Å |
| 90 | K | 83.6 | Confident | 74.1 | Confident | 112 Ų | 112 | 114.8 Ų | 114.8 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 176.2 | -165.1 | -175.1 | -177.5 | -162.4 | 0 | 111.7 | Y86 N87 L88 T92 Y93 E94 | Y86-K90 HydrophobicContact CE1-CD 4.49Å; Y86-K90 WeakPolarHBondContact O-CB 3.26Å; Y86-K90 PolarHBondContact O-N 3.27Å; N87-K90 PolarHBondContact O-N 2.9Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.44Å; K90-T92 VanDerWaalsContact C-N 3.31Å; K90-T92 PolarHBondContact O-N 3.5Å; K90-Y93 PolarHBondContact O-N 3.3Å; K90-E94 WeakPolarHBondContact O-CG 3.3Å; K90-E94 PolarHBondContact O-N 3.18Å |
| 91 | Q | 75.9 | Confident | 72.6 | Confident | 135 Ų | 135 | 112.8 Ų | 112.8 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.8 | -40.2 | 173.5 | -74.3 | -177.9 | -2.7 | 0 | 0 | 111.8 | N87 L88 R95 | N87-Q91 WeakPolarHBondContact O-CG 3.41Å; N87-Q91 PolarHBondContact O-N 2.97Å; L88-Q91 PolarHBondContact O-N 3.02Å; Q91-R95 WeakPolarHBondContact O-CB 3.44Å; Q91-R95 PolarHBondContact O-N 3.47Å |
| 92 | T | 73.7 | Confident | 70.8 | Confident | 75 Ų | 75 | 108.3 Ų | 108.3 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 175.6 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | L88 S89 K90 E94 R95 S96 | L88-T92 PolarHBondContact O-N 2.88Å; L88-T92 PolarHBondContact O-OG1 2.93Å; S89-T92 PolarHBondContact O-N 3.37Å; K90-T92 VanDerWaalsContact C-N 3.31Å; K90-T92 PolarHBondContact O-N 3.5Å; T92-E94 PolarHBondContact O-N 3.1Å; T92-R95 PolarHBondContact O-N 3.34Å; T92-S96 VanDerWaalsContact O-CB 3.3Å; T92-S96 WeakPolarHBondContact O-CB 3.39Å; T92-S96 PolarHBondContact O-N 3.42Å; T92-S96 PolarHBondContact O-OG 2.88Å; T92-S96 VanDerWaalsContact O-OG 3.05Å |
| 93 | Y | 74.2 | Confident | 68.9 | Low | 135 Ų | 135 | 107.7 Ų | 107.7 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.1 | -43.1 | 179.5 | -177.6 | -104.6 | 0 | 0 | 0 | 112.4 | S89 K90 S96 K97 | S89-Y93 WeakPolarHBondContact O-CB 3.35Å; S89-Y93 PolarHBondContact O-N 3.27Å; K90-Y93 PolarHBondContact O-N 3.3Å; Y93-S96 PolarHBondContact O-N 3.42Å; Y93-K97 HydrophobicContact CE1-CD 3.93Å; Y93-K97 WeakPolarHBondContact O-CB 3.32Å; Y93-K97 PolarHBondContact O-N 3.15Å; Y93-K97 WeakPolarHBondContact OH-CE 3.43Å |
| 94 | E | 65.3 | Low | 66.7 | Low | 94 Ų | 94 | 104.4 Ų | 104.4 | 44% | 0.439 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -41 | 175.5 | -64.6 | -60.9 | 151.2 | 0 | 0 | 111.8 | K90 T92 S96 K97 I98 | K90-E94 WeakPolarHBondContact O-CG 3.3Å; K90-E94 PolarHBondContact O-N 3.18Å; T92-E94 PolarHBondContact O-N 3.1Å; E94-S96 VanDerWaalsContact C-N 3.35Å; E94-S96 PolarHBondContact O-N 3.06Å; E94-K97 PolarHBondContact O-N 3.06Å; E94-I98 VanDerWaalsContact O-CG1 3.31Å; E94-I98 WeakPolarHBondContact O-CG1 3.34Å; E94-I98 PolarHBondContact O-N 3.44Å; E94-I98 VanDerWaalsContact O-N 3.17Å |
| 95 | R | 66.7 | Low | 64.8 | Low | 204 Ų | 204 | 105.9 Ų | 105.9 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.6 | -40.6 | 173 | -92.6 | -172.1 | 166.8 | -146 | -2 | 112.3 | Q91 T92 I98 A99 | Q91-R95 WeakPolarHBondContact O-CB 3.44Å; Q91-R95 PolarHBondContact O-N 3.47Å; T92-R95 PolarHBondContact O-N 3.34Å; R95-I98 PolarHBondContact O-N 2.98Å; R95-A99 WeakPolarHBondContact O-CB 3.42Å; R95-A99 PolarHBondContact O-N 2.87Å |
| 96 | S | 60.1 | Low | 62.5 | Low | 65 Ų | 65 | 104.6 Ų | 104.6 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.4 | -32.2 | 179 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | T92 Y93 E94 I98 A99 A100 | T92-S96 VanDerWaalsContact O-CB 3.3Å; T92-S96 WeakPolarHBondContact O-CB 3.39Å; T92-S96 PolarHBondContact O-N 3.42Å; T92-S96 PolarHBondContact O-OG 2.88Å; T92-S96 VanDerWaalsContact O-OG 3.05Å; Y93-S96 PolarHBondContact O-N 3.42Å; E94-S96 VanDerWaalsContact C-N 3.35Å; E94-S96 PolarHBondContact O-N 3.06Å; S96-I98 VanDerWaalsContact C-N 3.32Å; S96-A99 PolarHBondContact O-N 2.79Å; S96-A100 VanDerWaalsContact O-CB 3.23Å; S96-A100 WeakPolarHBondContact O-CB 3.38Å; S96-A100 PolarHBondContact O-N 3.43Å |
| 97 | K | 57.5 | Low | 60.5 | Low | 122 Ų | 122 | 105.4 Ų | 105.4 | 53% | 0.53 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.5 | -32.1 | 173.5 | -111.2 | -170.2 | 174.1 | -172.1 | 0 | 113 | Y93 E94 S101 | Y93-K97 HydrophobicContact CE1-CD 3.93Å; Y93-K97 WeakPolarHBondContact O-CB 3.32Å; Y93-K97 PolarHBondContact O-N 3.15Å; Y93-K97 WeakPolarHBondContact OH-CE 3.43Å; E94-K97 PolarHBondContact O-N 3.06Å; K97-S101 PolarHBondContact O-OG 3.43Å; K97-S101 VanDerWaalsContact O-OG 3.06Å |
| 98 | I | 51.9 | Low | 58.6 | Low | 115 Ų | 115 | 106.8 Ų | 106.8 | 59% | 0.59 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -83.9 | -34.2 | 176.1 | -59.2 | 166 | 0 | 0 | 0 | 110.5 | E94 R95 S96 S101 S102 | E94-I98 VanDerWaalsContact O-CG1 3.31Å; E94-I98 WeakPolarHBondContact O-CG1 3.34Å; E94-I98 PolarHBondContact O-N 3.44Å; E94-I98 VanDerWaalsContact O-N 3.17Å; R95-I98 PolarHBondContact O-N 2.98Å; S96-I98 VanDerWaalsContact C-N 3.32Å; I98-S101 PolarHBondContact O-OG 2.88Å; I98-S102 PolarHBondContact O-OG 3.4Å |
| 99 | A | 53.5 | Low | 56.6 | Low | 48 Ų | 48 | 109.1 Ų | 109.1 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.4 | -30.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | R95 S96 S101 S102 A103 | R95-A99 WeakPolarHBondContact O-CB 3.42Å; R95-A99 PolarHBondContact O-N 2.87Å; S96-A99 PolarHBondContact O-N 2.79Å; A99-S101 VanDerWaalsContact C-N 3.27Å; A99-S101 PolarHBondContact O-N 3.39Å; A99-S102 CarbonylContact O-C 3.56Å; A99-S102 PolarHBondContact O-N 3.07Å; A99-A103 WeakPolarHBondContact O-CA 3.22Å; A99-A103 WeakPolarHBondContact O-CB 3.26Å; A99-A103 PolarHBondContact O-N 3.24Å |
| 100 | A | 49.7 | Very low | 54.7 | Low | 86 Ų | 86 | 112 Ų | 112 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -18.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S96 | S96-A100 VanDerWaalsContact O-CB 3.23Å; S96-A100 WeakPolarHBondContact O-CB 3.38Å; S96-A100 PolarHBondContact O-N 3.43Å |
| 101 | S | 49.8 | Very low | 52.4 | Low | 103 Ų | 103 | 112.8 Ų | 112.8 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 4.8 | 173.3 | 34.6 | 0 | 0 | 0 | 0 | 113.4 | K97 I98 A99 | K97-S101 PolarHBondContact O-OG 3.43Å; K97-S101 VanDerWaalsContact O-OG 3.06Å; I98-S101 PolarHBondContact O-OG 2.88Å; A99-S101 VanDerWaalsContact C-N 3.27Å; A99-S101 PolarHBondContact O-N 3.39Å |
| 102 | S | 47.4 | Very low | 51.1 | Low | 73 Ų | 73 | 112 Ų | 112 | 51% | 0.51 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.3 | 1.1 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | I98 A99 S104 | I98-S102 PolarHBondContact O-OG 3.4Å; A99-S102 CarbonylContact O-C 3.56Å; A99-S102 PolarHBondContact O-N 3.07Å; S102-S104 PolarHBondContact O-N 3.36Å |
| 103 | A | 44.5 | Very low | 49.5 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | | | trans | -84 | 57.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A99 | A99-A103 WeakPolarHBondContact O-CA 3.22Å; A99-A103 WeakPolarHBondContact O-CB 3.26Å; A99-A103 PolarHBondContact O-N 3.24Å |
| 104 | S | 40.6 | Very low | 47.8 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | | | trans | -119.7 | 63.5 | 164.6 | 59.3 | 0 | 0 | 0 | 0 | 108.2 | S102 | S102-S104 PolarHBondContact O-N 3.36Š|
| 105 | T | 45.3 | Very low | 46.5 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | | | trans | -153.5 | 72.6 | 163.7 | -33.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 106 | S | 39 | Very low | 45.4 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | | | trans | -72.4 | 121.7 | 146.5 | -55.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 107 | Q | 44.1 | Very low | 44.5 | Very low | 171 Ų | 171 | 122.7 Ų | 122.7 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | | | trans | 172.1 | 97.4 | 154.8 | -98.5 | 165 | -9.9 | 0 | 0 | 107 | | |
| 108 | S | 41.6 | Very low | 43.8 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | | | | 68.2 | 114.1 | 90.3 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | T110 | S108-T110 PolarHBondContact O-N 2.91Š|
| 109 | D | 39.8 | Very low | 43.3 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | | | trans | -39.5 | 116.7 | 166.4 | -57.6 | -68.3 | 0 | 0 | 0 | 111.7 | | |
| 110 | T | 44.5 | Very low | 42.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | 172.1 | 103.8 | 142.1 | 42.3 | 0 | 0 | 0 | 0 | 109.4 | S108 | S108-T110 PolarHBondContact O-N 2.91Š|
| 111 | D | 35 | Very low | 42.3 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | | 23.8 | 109.8 | 125.4 | -162.7 | 15.2 | 0 | 0 | 0 | 117.1 | H113 | D111-H113 IonicContact OD1-CD2 3.73Å; D111-H113 IonicContact OD1-NE2 3.86Å |
| 112 | S | 49.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -179.6 | 104.6 | 140.6 | -82.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 113 | H | 39.2 | Very low | 41.4 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | -30.7 | 154.4 | 162.4 | -62 | -90.9 | 0 | 0 | 0 | 117.4 | D111 | D111-H113 IonicContact OD1-CD2 3.73Å; D111-H113 IonicContact OD1-NE2 3.86Å |
| 114 | Y | 39.7 | Very low | 41.2 | Very low | 220 Ų | 220 | 140 Ų | 140 | 86% | 0.863 | 77% | 0.773 | S | S | * | * | | | trans | 96.4 | 89.7 | 164.3 | -59.1 | -81.9 | 0 | 0 | 0 | 117.1 | | |
| 115 | A | 37.8 | Very low | 41.3 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | trans | -9.2 | 147.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 116 | K | 43 | Very low | 40.8 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | | 171.3 | 113.4 | 110.5 | -169 | 162.2 | -179.2 | 179.1 | 0 | 112.4 | | |
| 117 | L | 41.7 | Very low | 40.9 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | 27.9 | 122.3 | 137.7 | -59.6 | 163.5 | 0 | 0 | 0 | 118.5 | | |
| 118 | N | 43 | Very low | 40.8 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | | | | -154.3 | 125.9 | 117.7 | -100.9 | -22.7 | 0 | 0 | 0 | 113.2 | | |
| 119 | L | 39.7 | Very low | 40.9 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | -83.6 | 166.4 | -179.3 | -159.1 | 68.9 | 0 | 0 | 0 | 109.1 | | |
| 120 | Q | 37.8 | Very low | 40.7 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | | | trans | 107.8 | 123.5 | 138.7 | -131.1 | -171.9 | -47.3 | 0 | 0 | 118.1 | | |
| 121 | R | 46 | Very low | 40.6 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | 89.2 | 135.9 | 147.7 | -44.6 | -176.5 | 87 | -171.4 | 1.8 | 117.1 | | |
| 122 | S | 41.1 | Very low | 40.7 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | cis | -171.1 | 130.7 | -8.5 | -93.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 123 | S | 37.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | 2.7 | 129.7 | 143.1 | 52.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 124 | S | 39.3 | Very low | 40.6 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -178.2 | 110.9 | 137.1 | -82.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 125 | Q | 42.6 | Very low | 40.7 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | | 45.7 | 133.9 | 92.1 | -80.5 | -173.7 | -4.1 | 0 | 0 | 113.4 | | |
| 126 | S | 36 | Very low | 40.6 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | cis | 177.2 | 152.2 | -8.5 | 41.1 | 0 | 0 | 0 | 0 | 105.8 | | |
| 127 | S | 40.2 | Very low | 40.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | 75.2 | 129.3 | 152 | -49.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 128 | D | 40.9 | Very low | 40 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | 94.2 | 148.2 | 134 | -153.7 | 18.3 | 0 | 0 | 0 | 118.7 | | |
| 129 | S | 45 | Very low | 39.8 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | 77.6 | 107.6 | 175.3 | 65.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 130 | G | 35.2 | Very low | 39.6 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | trans | -72.1 | 157.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 131 | I | 41.8 | Very low | 39.9 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -143.3 | 113.4 | 163 | -69.8 | 105.5 | 0 | 0 | 0 | 108.4 | | |
| 132 | Y | 38.8 | Very low | 39.5 | Very low | 214 Ų | 214 | 124.4 Ų | 124.4 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | 35.1 | 122.6 | 133.1 | -74.8 | -103.3 | 0 | 0 | 0 | 120.7 | | |
| 133 | N | 39.9 | Very low | 39.5 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | | 19.8 | 111.7 | 126.5 | -168.6 | 13.3 | 0 | 0 | 0 | 117.9 | | |
| 134 | S | 44.7 | Very low | 40 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -150 | 92.5 | 148.9 | 37.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 135 | S | 43.6 | Very low | 40 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 53% | 0.531 | 76% | 0.763 | S | S | . | * | | | | 54.2 | 102.9 | 94.8 | -66.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 136 | C | 34.3 | Very low | 39.9 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | trans | 13 | 107 | 146.5 | 47.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 137 | H | 40.2 | Very low | 40.3 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | -106.1 | 91 | 157.6 | -80 | -73.6 | 0 | 0 | 0 | 110.4 | | |
| 138 | C | 32.9 | Very low | 40.1 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | -87.8 | 94 | 151.7 | -89.1 | 0 | 0 | 0 | 0 | 107.4 | S140 | C138-S140 PolarHBondContact O-N 3.39Š|
| 139 | S | 38.4 | Very low | 40.2 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -84.1 | 99.5 | 168.2 | -63.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 140 | S | 36.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -61.5 | 129.5 | 162.1 | -57.2 | 0 | 0 | 0 | 0 | 110 | C138 | C138-S140 PolarHBondContact O-N 3.39Š|
| 141 | I | 43.2 | Very low | 40.2 | Very low | 164 Ų | 164 | 124.4 Ų | 124.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | -121.7 | 114.3 | 157.6 | -64.3 | 175.7 | 0 | 0 | 0 | 106.7 | | |
| 142 | S | 36.7 | Very low | 40 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -58.6 | 171.5 | 179 | -52.1 | 0 | 0 | 0 | 0 | 114 | | |
| 143 | S | 42.6 | Very low | 39.8 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | 89.6 | 120.1 | -176.8 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 144 | I | 47 | Very low | 40 | Very low | 154 Ų | 154 | 115.8 Ų | 115.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | cis | -166.9 | 122.7 | 46.8 | -3.4 | 173.4 | 0 | 0 | 0 | 108.6 | | |
| 145 | S | 39.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 56.8 | 120.8 | 133.5 | -45.4 | 0 | 0 | 0 | 0 | 123.7 | | |
| 146 | A | 40.1 | Very low | 39.8 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | | | trans | 78.3 | 107.3 | 130.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 147 | V | 44.6 | Very low | 40 | Very low | 136 Ų | 136 | 122.4 Ų | 122.4 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | | 169.8 | 93.5 | 95 | -73.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 148 | S | 36.7 | Very low | 39.9 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | | 45.3 | 113.5 | 97.5 | -63.2 | 0 | 0 | 0 | 0 | 116 | | |
| 149 | S | 43.2 | Very low | 40 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | 143.9 | 103.6 | 136.9 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 150 | S | 38.5 | Very low | 40 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | | 64.2 | 128 | 95.5 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 151 | A | 42.7 | Very low | 40.1 | Very low | 87 Ų | 87 | 118 Ų | 118 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | cis | -166.3 | 147.7 | 22.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 152 | S | 35.6 | Very low | 40.1 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | | 28.8 | 129.2 | 129.9 | -32.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 153 | S | 36.6 | Very low | 40.2 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | | 91.7 | 138.7 | 125.7 | 68.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 154 | S | 42.6 | Very low | 40.3 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | 93.8 | 94.1 | 155.7 | -41 | 0 | 0 | 0 | 0 | 115.2 | | |
| 155 | R | 44.2 | Very low | 40.6 | Very low | 240 Ų | 240 | 120 Ų | 120 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | | | | 59.7 | 124.8 | 88 | -73.2 | -174.1 | 170.6 | 175.3 | -2.3 | 114.1 | | |
| 156 | S | 40.7 | Very low | 40.7 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | 108.5 | 112.6 | 143.4 | -51 | 0 | 0 | 0 | 0 | 118.6 | | |
| 157 | S | 38.9 | Very low | 41.2 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 74.5 | 107.7 | 127.8 | -42.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 158 | S | 36.8 | Very low | 41.6 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | | 44.7 | 109.5 | 129.1 | 57.2 | 0 | 0 | 0 | 0 | 119 | | |
| 159 | S | 35.3 | Very low | 42.3 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | | 166.6 | 157.7 | 110.5 | 61.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 160 | S | 39.7 | Very low | 42.6 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | 83.1 | 92.9 | 153.3 | -50.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 161 | S | 38.2 | Very low | 43.3 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | | 20.9 | 111.7 | 121.9 | 60.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 162 | R | 43.4 | Very low | 43.9 | Very low | 253 Ų | 253 | 123.2 Ų | 123.2 | 96% | 0.955 | 76% | 0.759 | S | S | * | * | | | trans | 164.8 | 131.9 | 139.3 | -91.9 | 153 | 171.9 | -135.2 | -4.4 | 110 | | |
| 163 | G | 37.8 | Very low | 44.7 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 103.7 | 89.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P165 | G163-P165 WeakPolarHBondContact O-CD 3.48Š|
| 164 | C | 45.5 | Very low | 45.8 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | | | trans | -52.4 | 121.5 | 147 | -54.8 | 0 | 0 | 0 | 0 | 107.8 | S166 | C164-S166 VanDerWaalsContact C-N 3.27Å; C164-S166 PolarHBondContact O-N 3.26Å |
| 165 | P | 51.6 | Low | 47.2 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -73.1 | 97 | 159.3 | 29.9 | -26.7 | 0 | 0 | 0 | 105.6 | G163 S167 | G163-P165 WeakPolarHBondContact O-CD 3.48Å; P165-S167 PolarHBondContact O-N 3.1Å |
| 166 | S | 43 | Very low | 49 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | | | trans | -59.4 | 95.2 | 151.8 | -179.3 | 0 | 0 | 0 | 0 | 104.9 | C164 V168 | C164-S166 VanDerWaalsContact C-N 3.27Å; C164-S166 PolarHBondContact O-N 3.26Å; S166-V168 PolarHBondContact O-N 2.98Å |
| 167 | S | 50.3 | Low | 51 | Low | 96 Ų | 96 | 116.3 Ų | 116.3 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | | | trans | -68.3 | 105.9 | 177.3 | 65.1 | 0 | 0 | 0 | 0 | 106.4 | P165 V169 | P165-S167 PolarHBondContact O-N 3.1Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.4Å |
| 168 | V | 52.2 | Low | 53.2 | Low | 138 Ų | 138 | 115.6 Ų | 115.6 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | | | trans | -45.5 | 103.9 | 163 | -105.1 | 0 | 0 | 0 | 0 | 107.3 | S166 S170 | S166-V168 PolarHBondContact O-N 2.98Å; V168-S170 PolarHBondContact O-N 3.34Å |
| 169 | V | 50.9 | Low | 55.6 | Low | 109 Ų | 109 | 117.9 Ų | 117.9 | 66% | 0.661 | 69% | 0.687 | S | S | * | * | | | trans | -55.6 | 101.9 | 173.2 | -81.8 | 0 | 0 | 0 | 0 | 107.8 | S167 S171 | S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.4Å; V169-S171 PolarHBondContact O-N 3.35Å |
| 170 | S | 49.2 | Very low | 58.2 | Low | 92 Ų | 92 | 118.3 Ų | 118.3 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | | | trans | -61.1 | 107.6 | 168.4 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | V168 K172 | V168-S170 PolarHBondContact O-N 3.34Å; S170-K172 PolarHBondContact O-N 2.95Å |
| 171 | S | 54.7 | Low | 60.7 | Low | 106 Ų | 106 | 120.3 Ų | 120.3 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | | | trans | -66.1 | 33 | -177.2 | -57.3 | 0 | 0 | 0 | 0 | 114.7 | V169 | V169-S171 PolarHBondContact O-N 3.35Š|
| 172 | K | 54 | Low | 63.3 | Low | 184 Ų | 184 | 121.9 Ų | 121.9 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -113.5 | 95.8 | -178.9 | -71.1 | 177.8 | 174.5 | 177.1 | 0 | 109.2 | S170 | S170-K172 PolarHBondContact O-N 2.95Š|
| 173 | S | 53.9 | Low | 65.7 | Low | 84 Ų | 84 | 117.4 Ų | 117.4 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | | | trans | 69 | 71.7 | 175.3 | -158.3 | 0 | 0 | 0 | 0 | 117.1 | R175 S176 | S173-R175 PolarHBondContact O-N 2.95Å; S173-R175 VanDerWaalsContact O-N 3.08Å; S173-S176 PolarHBondContact O-N 2.87Å |
| 174 | N | 60 | Low | 68.4 | Low | 83 Ų | 83 | 119 Ų | 119 | 44% | 0.444 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -56.9 | -20.5 | 171 | -75.5 | -59.2 | 0 | 0 | 0 | 114.1 | S176 L177 D178 | N174-S176 PolarHBondContact O-N 3.15Å; N174-S176 VanDerWaalsContact O-N 3.13Å; N174-L177 PolarHBondContact O-N 3.1Å; N174-L177 VanDerWaalsContact O-N 3.13Å; N174-D178 VanDerWaalsContact O-CG 3.28Å; N174-D178 PolarHBondContact O-N 3.45Å; N174-D178 VanDerWaalsContact O-OD2 3.09Å |
| 175 | R | 70 | Confident | 70.7 | Confident | 201 Ų | 201 | 116.7 Ų | 116.7 | 76% | 0.758 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.6 | -30.8 | 179.3 | -72.1 | -175.7 | 179.7 | 174.7 | 0.6 | 113.4 | S173 K179 | S173-R175 PolarHBondContact O-N 2.95Å; S173-R175 VanDerWaalsContact O-N 3.08Å; R175-K179 WeakPolarHBondContact O-CB 3.35Å; R175-K179 VanDerWaalsContact O-CG 3.24Å; R175-K179 WeakPolarHBondContact O-CG 3.21Å; R175-K179 PolarHBondContact O-N 3.38Å |
| 176 | S | 82.9 | Confident | 72.9 | Confident | 66 Ų | 66 | 115.7 Ų | 115.7 | 46% | 0.462 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.4 | -45.2 | 177.6 | -170 | 0 | 0 | 0 | 0 | 111.6 | S173 N174 D178 K179 Q180 | S173-S176 PolarHBondContact O-N 2.87Å; N174-S176 PolarHBondContact O-N 3.15Å; N174-S176 VanDerWaalsContact O-N 3.13Å; S176-D178 PolarHBondContact O-N 2.87Å; S176-K179 PolarHBondContact O-N 3.4Å; S176-Q180 WeakPolarHBondContact O-CG 3.24Å; S176-Q180 PolarHBondContact O-N 3Å |
| 177 | L | 83.8 | Confident | 75.4 | Confident | 82 Ų | 82 | 115.1 Ų | 115.1 | 43% | 0.429 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 178.6 | -69 | 176.5 | 0 | 0 | 0 | 111.7 | N174 Q180 K181 | N174-L177 PolarHBondContact O-N 3.1Å; N174-L177 VanDerWaalsContact O-N 3.13Å; L177-Q180 PolarHBondContact O-N 2.86Å; L177-K181 WeakPolarHBondContact O-CB 3.37Å; L177-K181 VanDerWaalsContact O-CG 3.32Å; L177-K181 WeakPolarHBondContact O-CG 3.38Å; L177-K181 PolarHBondContact O-N 3.4Å |
| 178 | D | 84.7 | Confident | 77.5 | Confident | 89 Ų | 89 | 115.4 Ų | 115.4 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.4 | -40.7 | 176 | -66 | -35.2 | 0 | 0 | 0 | 111.4 | N174 S176 K181 H182 | N174-D178 VanDerWaalsContact O-CG 3.28Å; N174-D178 PolarHBondContact O-N 3.45Å; N174-D178 VanDerWaalsContact O-OD2 3.09Å; S176-D178 PolarHBondContact O-N 2.87Å; D178-K181 PolarHBondContact O-N 3.49Å; D178-H182 WeakPolarHBondContact O-CB 3.38Å; D178-H182 PolarHBondContact O-N 3.36Å |
| 179 | K | 87.5 | Confident | 79.5 | Confident | 157 Ų | 157 | 116.3 Ų | 116.3 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62 | -43.5 | 173.3 | -77.8 | 177.3 | -179.5 | -170.2 | 0 | 112 | R175 S176 H182 Y183 | R175-K179 WeakPolarHBondContact O-CB 3.35Å; R175-K179 VanDerWaalsContact O-CG 3.24Å; R175-K179 WeakPolarHBondContact O-CG 3.21Å; R175-K179 PolarHBondContact O-N 3.38Å; S176-K179 PolarHBondContact O-N 3.4Å; K179-H182 PolarHBondContact O-N 2.85Å; K179-Y183 VanDerWaalsContact O-CB 3.22Å; K179-Y183 WeakPolarHBondContact O-CB 3.26Å; K179-Y183 PolarHBondContact O-N 2.92Å |
| 180 | Q | 89.7 | Confident | 81.6 | Confident | 119 Ų | 119 | 114.5 Ų | 114.5 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.8 | -43.8 | 177.7 | -72.1 | 177.6 | -5.7 | 0 | 0 | 112.1 | S176 L177 Y183 L184 | S176-Q180 WeakPolarHBondContact O-CG 3.24Å; S176-Q180 PolarHBondContact O-N 3Å; L177-Q180 PolarHBondContact O-N 2.86Å; Q180-Y183 PolarHBondContact O-N 3.05Å; Q180-L184 WeakPolarHBondContact O-CB 3.49Å; Q180-L184 PolarHBondContact O-N 2.89Å |
| 181 | K | 92.1 | Very high | 83.8 | Confident | 141 Ų | 141 | 115.8 Ų | 115.8 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -44.9 | 175.3 | -73.9 | 176.7 | -179.6 | 179.2 | 0 | 111.7 | L177 D178 L184 S185 | L177-K181 WeakPolarHBondContact O-CB 3.37Å; L177-K181 VanDerWaalsContact O-CG 3.32Å; L177-K181 WeakPolarHBondContact O-CG 3.38Å; L177-K181 PolarHBondContact O-N 3.4Å; D178-K181 PolarHBondContact O-N 3.49Å; K181-L184 PolarHBondContact O-N 2.84Å; K181-S185 WeakPolarHBondContact O-CB 3.24Å; K181-S185 PolarHBondContact O-N 3.5Å |
| 182 | H | 92.8 | Very high | 85.8 | Confident | 133 Ų | 133 | 113.3 Ų | 113.3 | 62% | 0.616 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 176.8 | -177.5 | 69.1 | 0 | 0 | 0 | 111.5 | D178 K179 L184 S185 H186 | D178-H182 WeakPolarHBondContact O-CB 3.38Å; D178-H182 PolarHBondContact O-N 3.36Å; K179-H182 PolarHBondContact O-N 2.85Å; H182-L184 PolarHBondContact O-N 3.49Å; H182-S185 PolarHBondContact O-N 2.97Å; H182-H186 VanDerWaalsContact O-CB 3.26Å; H182-H186 WeakPolarHBondContact O-CB 3.23Å; H182-H186 PolarHBondContact O-N 2.87Å |
| 183 | Y | 92.7 | Very high | 87.8 | Confident | 160 Ų | 160 | 110.7 Ų | 110.7 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.1 | -47.1 | 175.4 | -179 | -94.8 | 0 | 0 | 0 | 111.7 | K179 Q180 H186 H187 | K179-Y183 VanDerWaalsContact O-CB 3.22Å; K179-Y183 WeakPolarHBondContact O-CB 3.26Å; K179-Y183 PolarHBondContact O-N 2.92Å; Q180-Y183 PolarHBondContact O-N 3.05Å; Y183-H186 PolarHBondContact O-N 3.03Å; Y183-H187 VanDerWaalsContact O-CB 3.3Å; Y183-H187 WeakPolarHBondContact O-CB 3.35Å; Y183-H187 PolarHBondContact O-N 3.13Å |
| 184 | L | 95.6 | Very high | 89.8 | Confident | 102 Ų | 102 | 111.3 Ų | 111.3 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 177.9 | -178.1 | 61.8 | 0 | 0 | 0 | 111.8 | Q180 K181 H182 H186 H187 L188 | Q180-L184 WeakPolarHBondContact O-CB 3.49Å; Q180-L184 PolarHBondContact O-N 2.89Å; K181-L184 PolarHBondContact O-N 2.84Å; H182-L184 PolarHBondContact O-N 3.49Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 2.9Å; L184-H187 PolarHBondContact O-N 3.29Å; L184-L188 HydrophobicContact CD1-CD1 4.39Å; L184-L188 HydrophobicContact CD1-CG 4.3Å; L184-L188 HydrophobicContact CG-CD1 4.22Å; L184-L188 WeakPolarHBondContact O-CG 3.42Å; L184-L188 PolarHBondContact O-N 2.84Å |
| 185 | S | 93.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 111.4 Ų | 111.4 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | K181 H182 Y189 | K181-S185 WeakPolarHBondContact O-CB 3.24Å; K181-S185 PolarHBondContact O-N 3.5Å; H182-S185 PolarHBondContact O-N 2.97Å; S185-Y189 WeakPolarHBondContact O-CB 3.38Å; S185-Y189 PolarHBondContact O-N 3.28Å |
| 186 | H | 96.1 | Very high | 92.5 | Very high | 99 Ų | 99 | 107.2 Ų | 107.2 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 177.6 | -173.6 | -100.7 | 0 | 0 | 0 | 111.6 | H182 Y183 L184 Y189 I190 | H182-H186 VanDerWaalsContact O-CB 3.26Å; H182-H186 WeakPolarHBondContact O-CB 3.23Å; H182-H186 PolarHBondContact O-N 2.87Å; Y183-H186 PolarHBondContact O-N 3.03Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 2.9Å; H186-Y189 PolarHBondContact O-N 3.13Å; H186-I190 WeakPolarHBondContact CE1-CD1 3.33Å; H186-I190 WeakPolarHBondContact ND1-CD1 3.45Å; H186-I190 WeakPolarHBondContact O-CG1 3.49Å; H186-I190 PolarHBondContact O-N 3.35Å |
| 187 | H | 95.8 | Very high | 93 | Very high | 99 Ų | 99 | 107.9 Ų | 107.9 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 177.2 | -166.6 | 76.7 | 0 | 0 | 0 | 112.2 | Y183 L184 I190 K191 | Y183-H187 VanDerWaalsContact O-CB 3.3Å; Y183-H187 WeakPolarHBondContact O-CB 3.35Å; Y183-H187 PolarHBondContact O-N 3.13Å; L184-H187 PolarHBondContact O-N 3.29Å; H187-I190 PolarHBondContact O-N 3.26Å; H187-K191 WeakPolarHBondContact O-CB 3.42Å; H187-K191 PolarHBondContact O-N 2.77Å |
| 188 | L | 95.5 | Very high | 93.4 | Very high | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 174.5 | -70.1 | 175.9 | 0 | 0 | 0 | 112 | L184 K191 S192 | L184-L188 HydrophobicContact CD1-CD1 4.39Å; L184-L188 HydrophobicContact CD1-CG 4.3Å; L184-L188 HydrophobicContact CG-CD1 4.22Å; L184-L188 WeakPolarHBondContact O-CG 3.42Å; L184-L188 PolarHBondContact O-N 2.84Å; L188-K191 PolarHBondContact O-N 3.08Å; L188-S192 PolarHBondContact O-N 2.81Å; L188-S192 PolarHBondContact O-OG 3.33Å |
| 189 | Y | 94.8 | Very high | 93.8 | Very high | 158 Ų | 158 | 109.7 Ų | 109.7 | 62% | 0.62 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.4 | -51.1 | 173.5 | 174.8 | -99.1 | 0 | 0 | 0 | 111.4 | S185 H186 K191 S192 Y193 | S185-Y189 WeakPolarHBondContact O-CB 3.38Å; S185-Y189 PolarHBondContact O-N 3.28Å; H186-Y189 PolarHBondContact O-N 3.13Å; Y189-K191 VanDerWaalsContact C-N 3.32Å; Y189-K191 PolarHBondContact O-N 3.06Å; Y189-S192 PolarHBondContact O-N 3.34Å; Y189-S192 PolarHBondContact O-OG 3.38Å; Y189-Y193 PolarHBondContact O-N 2.87Å; Y189-Y193 VanDerWaalsContact O-N 3.1Å |
| 190 | I | 94.6 | Very high | 94 | Very high | 71 Ų | 71 | 106.6 Ų | 106.6 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 176.4 | -69.6 | 167.3 | 0 | 0 | 0 | 110.8 | H186 H187 S192 Y193 L194 | H186-I190 WeakPolarHBondContact CE1-CD1 3.33Å; H186-I190 WeakPolarHBondContact ND1-CD1 3.45Å; H186-I190 WeakPolarHBondContact O-CG1 3.49Å; H186-I190 PolarHBondContact O-N 3.35Å; H187-I190 PolarHBondContact O-N 3.26Å; I190-S192 PolarHBondContact O-N 2.97Å; I190-Y193 PolarHBondContact O-N 3.36Å; I190-L194 HydrophobicContact CG2-CD1 4.07Å; I190-L194 HydrophobicContact CG2-CG 4.44Å; I190-L194 WeakPolarHBondContact O-CG 3.28Å; I190-L194 PolarHBondContact O-N 3.35Å |
| 191 | K | 95.8 | Very high | 94 | Very high | 118 Ų | 118 | 106 Ų | 106 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | -179.8 | -172.4 | 172.9 | -179.1 | 176.4 | 0 | 111.7 | H187 L188 Y189 Y193 L194 D195 | H187-K191 WeakPolarHBondContact O-CB 3.42Å; H187-K191 PolarHBondContact O-N 2.77Å; L188-K191 PolarHBondContact O-N 3.08Å; Y189-K191 VanDerWaalsContact C-N 3.32Å; Y189-K191 PolarHBondContact O-N 3.06Å; K191-Y193 VanDerWaalsContact C-N 3.27Å; K191-Y193 PolarHBondContact O-N 3.4Å; K191-L194 PolarHBondContact O-N 3.4Å; K191-L194 VanDerWaalsContact O-N 3.15Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 3.48Å |
| 192 | S | 95.7 | Very high | 93.9 | Very high | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 178.3 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | L188 Y189 I190 D195 I196 | L188-S192 PolarHBondContact O-N 2.81Å; L188-S192 PolarHBondContact O-OG 3.33Å; Y189-S192 PolarHBondContact O-N 3.34Å; Y189-S192 PolarHBondContact O-OG 3.38Å; I190-S192 PolarHBondContact O-N 2.97Å; S192-D195 PolarHBondContact O-N 3.46Å; S192-I196 WeakPolarHBondContact O-CD1 3.37Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.48Å; S192-I196 PolarHBondContact O-N 3.42Å |
| 193 | Y | 95.2 | Very high | 93.6 | Very high | 130 Ų | 130 | 99.6 Ų | 99.6 | 51% | 0.51 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.7 | 178.5 | -105 | 0 | 0 | 0 | 111.7 | Y189 I190 K191 I196 L197 | Y189-Y193 PolarHBondContact O-N 2.87Å; Y189-Y193 VanDerWaalsContact O-N 3.1Å; I190-Y193 PolarHBondContact O-N 3.36Å; K191-Y193 VanDerWaalsContact C-N 3.27Å; K191-Y193 PolarHBondContact O-N 3.4Å; Y193-I196 PolarHBondContact O-N 3.12Å; Y193-L197 HydrophobicContact CD1-CD1 3.98Å; Y193-L197 HydrophobicContact CE1-CD1 3.41Å; Y193-L197 VanDerWaalsContact CE1-CD1 3.41Å; Y193-L197 HydrophobicContact CE1-CG 4.21Å; Y193-L197 WeakPolarHBondContact O-CG 3.44Å; Y193-L197 PolarHBondContact O-N 3.48Å; Y193-L197 VanDerWaalsContact O-N 3.1Å |
| 194 | L | 95.7 | Very high | 93.2 | Very high | 97 Ų | 97 | 97.6 Ų | 97.6 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 176 | -66.4 | 176.4 | 0 | 0 | 0 | 111.9 | I190 K191 I196 L197 E198 | I190-L194 HydrophobicContact CG2-CD1 4.07Å; I190-L194 HydrophobicContact CG2-CG 4.44Å; I190-L194 WeakPolarHBondContact O-CG 3.28Å; I190-L194 PolarHBondContact O-N 3.35Å; K191-L194 PolarHBondContact O-N 3.4Å; K191-L194 VanDerWaalsContact O-N 3.15Å; L194-I196 VanDerWaalsContact C-N 3.31Å; L194-I196 PolarHBondContact O-N 3.43Å; L194-L197 PolarHBondContact O-N 2.89Å; L194-E198 PolarHBondContact O-N 2.9Å |
| 195 | D | 95.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 95.5 Ų | 95.5 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.6 | -65.7 | -14.8 | 0 | 0 | 0 | 111 | K191 S192 E198 E199 | K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 3.48Å; S192-D195 PolarHBondContact O-N 3.46Å; D195-E198 PolarHBondContact O-N 2.87Å; D195-E199 WeakPolarHBondContact O-CB 3.42Å; D195-E199 PolarHBondContact O-N 3.32Å |
| 196 | I | 91.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 97.8 Ų | 97.8 | 59% | 0.585 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 175.6 | -68.4 | 163.4 | 0 | 0 | 0 | 111.3 | S192 Y193 L194 E199 D200 | S192-I196 WeakPolarHBondContact O-CD1 3.37Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.48Å; S192-I196 PolarHBondContact O-N 3.42Å; Y193-I196 PolarHBondContact O-N 3.12Å; L194-I196 VanDerWaalsContact C-N 3.31Å; L194-I196 PolarHBondContact O-N 3.43Å; I196-E199 PolarHBondContact O-N 2.92Å; I196-D200 WeakPolarHBondContact O-CB 3.42Å; I196-D200 PolarHBondContact O-N 3Å |
| 197 | L | 93.9 | Very high | 90.2 | Very high | 80 Ų | 80 | 100.9 Ų | 100.9 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 178.1 | -71.4 | 179.6 | 0 | 0 | 0 | 112.3 | Y193 L194 D200 E201 | Y193-L197 HydrophobicContact CD1-CD1 3.98Å; Y193-L197 HydrophobicContact CE1-CD1 3.41Å; Y193-L197 VanDerWaalsContact CE1-CD1 3.41Å; Y193-L197 HydrophobicContact CE1-CG 4.21Å; Y193-L197 WeakPolarHBondContact O-CG 3.44Å; Y193-L197 PolarHBondContact O-N 3.48Å; Y193-L197 VanDerWaalsContact O-N 3.1Å; L194-L197 PolarHBondContact O-N 2.89Å; L197-D200 PolarHBondContact O-N 3.45Å; L197-E201 PolarHBondContact O-N 2.88Å |
| 198 | E | 93.1 | Very high | 88.5 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 175.6 | -171.2 | -171.2 | 150.7 | 0 | 0 | 111 | L194 D195 E201 R202 | L194-E198 PolarHBondContact O-N 2.9Å; D195-E198 PolarHBondContact O-N 2.87Å; E198-E201 PolarHBondContact O-N 2.96Å; E198-R202 WeakPolarHBondContact O-CB 3.41Å; E198-R202 PolarHBondContact O-N 2.72Å; E198-R202 IonicContact OE1-CZ 3.76Å; E198-R202 IonicContact OE1-NH1 3.99Å; E198-R202 IonicContact OE1-NH2 2.77Å; E198-R202 PolarHBondContact OE1-NH2 3.22Å |
| 199 | E | 92.4 | Very high | 86.7 | Confident | 101 Ų | 101 | 103.3 Ų | 103.3 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.9 | -171.1 | 57.9 | -148.9 | 0 | 0 | 111.9 | D195 I196 R202 A203 | D195-E199 WeakPolarHBondContact O-CB 3.42Å; D195-E199 PolarHBondContact O-N 3.32Å; I196-E199 PolarHBondContact O-N 2.92Å; E199-R202 PolarHBondContact O-N 3.45Å; E199-R202 IonicContact OE2-CZ 3.81Å; E199-R202 IonicContact OE2-NH1 2.74Å; E199-R202 PolarHBondContact OE2-NH1 2.93Å; E199-A203 VanDerWaalsContact O-CB 3.29Å; E199-A203 WeakPolarHBondContact O-CB 3.05Å; E199-A203 PolarHBondContact O-N 3.36Å |
| 200 | D | 92.4 | Very high | 85 | Confident | 91 Ų | 91 | 98.9 Ų | 98.9 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.4 | -172.1 | 60.8 | 0 | 0 | 0 | 111.7 | I196 L197 A203 R204 | I196-D200 WeakPolarHBondContact O-CB 3.42Å; I196-D200 PolarHBondContact O-N 3Å; L197-D200 PolarHBondContact O-N 3.45Å; D200-A203 PolarHBondContact O-N 3.36Å; D200-R204 WeakPolarHBondContact O-CB 3.3Å; D200-R204 VanDerWaalsContact O-CG 3.29Å; D200-R204 WeakPolarHBondContact O-CG 3.41Å; D200-R204 PolarHBondContact O-N 3.35Å |
| 201 | E | 89.9 | Confident | 83.3 | Confident | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 176.2 | -173.2 | 56.8 | -157 | 0 | 0 | 111.8 | L197 E198 R204 A205 | L197-E201 PolarHBondContact O-N 2.88Å; E198-E201 PolarHBondContact O-N 2.96Å; E201-R204 PolarHBondContact O-N 3.5Å; E201-R204 IonicContact OE2-NE 3.27Å; E201-R204 PolarHBondContact OE2-NE 2.89Å; E201-A205 PolarHBondContact O-N 3.41Å |
| 202 | R | 89.7 | Confident | 81.5 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 171.5 | -175.8 | -178.9 | -71.6 | 122 | 6 | 110.4 | E198 E199 R204 A205 H206 | E198-R202 WeakPolarHBondContact O-CB 3.41Å; E198-R202 PolarHBondContact O-N 2.72Å; E198-R202 IonicContact OE1-CZ 3.76Å; E198-R202 IonicContact OE1-NH1 3.99Å; E198-R202 IonicContact OE1-NH2 2.77Å; E198-R202 PolarHBondContact OE1-NH2 3.22Å; E199-R202 PolarHBondContact O-N 3.45Å; E199-R202 IonicContact OE2-CZ 3.81Å; E199-R202 IonicContact OE2-NH1 2.74Å; E199-R202 PolarHBondContact OE2-NH1 2.93Å; R202-R204 PolarHBondContact O-N 2.97Å; R202-A205 WeakPolarHBondContact O-CB 3.42Å; R202-A205 PolarHBondContact O-N 2.84Å; R202-H206 PolarHBondContact O-CD2 3.47Å; R202-H206 PolarHBondContact O-N 3.36Å; R202-H206 VanDerWaalsContact O-N 3.13Å |
| 203 | A | 86.4 | Confident | 79.7 | Confident | 28 Ų | 28 | 105.8 Ų | 105.8 | 23% | 0.231 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E199 D200 A205 H206 F207 | E199-A203 VanDerWaalsContact O-CB 3.29Å; E199-A203 WeakPolarHBondContact O-CB 3.05Å; E199-A203 PolarHBondContact O-N 3.36Å; D200-A203 PolarHBondContact O-N 3.36Å; A203-A205 VanDerWaalsContact C-N 3.3Å; A203-A205 PolarHBondContact O-N 2.87Å; A203-H206 WeakPolarHBondContact O-CB 3.49Å; A203-H206 PolarHBondContact O-N 3.28Å; A203-H206 VanDerWaalsContact O-N 3.11Å; A203-F207 HydrophobicContact CB-CD2 4.48Å; A203-F207 HydrophobicContact CB-CE2 4.49Å; A203-F207 WeakPolarHBondContact O-CD2 3.19Å; A203-F207 PolarHBondContact O-N 3.38Å |
| 204 | R | 84 | Confident | 77.8 | Confident | 117 Ų | 117 | 103.2 Ų | 103.2 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.8 | -38 | 175.2 | -80.1 | 172.2 | 53.1 | 78.4 | -0.2 | 112.6 | D200 E201 R202 F207 K208 | D200-R204 WeakPolarHBondContact O-CB 3.3Å; D200-R204 VanDerWaalsContact O-CG 3.29Å; D200-R204 WeakPolarHBondContact O-CG 3.41Å; D200-R204 PolarHBondContact O-N 3.35Å; E201-R204 PolarHBondContact O-N 3.5Å; E201-R204 IonicContact OE2-NE 3.27Å; E201-R204 PolarHBondContact OE2-NE 2.89Å; R202-R204 PolarHBondContact O-N 2.97Å; R204-F207 PolarHBondContact O-N 2.77Å; R204-K208 PolarHBondContact O-N 3.47Å |
| 205 | A | 80.3 | Confident | 76.2 | Confident | 58 Ų | 58 | 105.5 Ų | 105.5 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.2 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E201 R202 A203 K208 S209 | E201-A205 PolarHBondContact O-N 3.41Å; R202-A205 WeakPolarHBondContact O-CB 3.42Å; R202-A205 PolarHBondContact O-N 2.84Å; A203-A205 VanDerWaalsContact C-N 3.3Å; A203-A205 PolarHBondContact O-N 2.87Å; A205-K208 PolarHBondContact O-N 3.06Å; A205-S209 PolarHBondContact O-N 3Å |
| 206 | H | 77.7 | Confident | 74.7 | Confident | 126 Ų | 126 | 112.1 Ų | 112.1 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.6 | -43 | 174.1 | -73.3 | -73.3 | 0 | 0 | 0 | 112.5 | R202 A203 K208 S209 A210 | R202-H206 PolarHBondContact O-CD2 3.47Å; R202-H206 PolarHBondContact O-N 3.36Å; R202-H206 VanDerWaalsContact O-N 3.13Å; A203-H206 WeakPolarHBondContact O-CB 3.49Å; A203-H206 PolarHBondContact O-N 3.28Å; A203-H206 VanDerWaalsContact O-N 3.11Å; H206-K208 VanDerWaalsContact C-N 3.31Å; H206-K208 PolarHBondContact O-N 2.94Å; H206-S209 PolarHBondContact O-N 3.47Å; H206-S209 VanDerWaalsContact O-N 3.09Å; H206-S209 PolarHBondContact O-OG 3.35Å; H206-A210 PolarHBondContact O-N 3.05Å |
| 207 | F | 64.2 | Low | 73.3 | Confident | 165 Ų | 165 | 114.2 Ų | 114.2 | 72% | 0.724 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.8 | -29.6 | 178.8 | -81.5 | -69.4 | 0 | 0 | 0 | 113.5 | A203 R204 S209 A210 | A203-F207 HydrophobicContact CB-CD2 4.48Å; A203-F207 HydrophobicContact CB-CE2 4.49Å; A203-F207 WeakPolarHBondContact O-CD2 3.19Å; A203-F207 PolarHBondContact O-N 3.38Å; R204-F207 PolarHBondContact O-N 2.77Å; F207-S209 VanDerWaalsContact C-N 3.3Å; F207-A210 PolarHBondContact O-N 3.28Å |
| 208 | K | 60.2 | Low | 71.6 | Confident | 157 Ų | 157 | 118.3 Ų | 118.3 | 68% | 0.683 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.3 | -23.8 | 172.9 | -76.8 | -179.4 | 179.4 | 178.5 | 0 | 113.5 | R204 A205 H206 | R204-K208 PolarHBondContact O-N 3.47Å; A205-K208 PolarHBondContact O-N 3.06Å; H206-K208 VanDerWaalsContact C-N 3.31Å; H206-K208 PolarHBondContact O-N 2.94Å |
| 209 | S | 58 | Low | 70.2 | Confident | 93 Ų | 93 | 118.9 Ų | 118.9 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.4 | -19.5 | 177.1 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | A205 H206 F207 R211 | A205-S209 PolarHBondContact O-N 3Å; H206-S209 PolarHBondContact O-N 3.47Å; H206-S209 VanDerWaalsContact O-N 3.09Å; H206-S209 PolarHBondContact O-OG 3.35Å; F207-S209 VanDerWaalsContact C-N 3.3Å; S209-R211 PolarHBondContact O-N 2.85Å |
| 210 | A | 58.5 | Low | 68.9 | Low | 66 Ų | 66 | 116.7 Ų | 116.7 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -74.1 | 94.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | H206 F207 | H206-A210 PolarHBondContact O-N 3.05Å; F207-A210 PolarHBondContact O-N 3.28Å |
| 211 | R | 58.8 | Low | 67.6 | Low | 220 Ų | 220 | 121.4 Ų | 121.4 | 83% | 0.83 | 62% | 0.623 | S | S | * | * | | | trans | -37.6 | 124.5 | 179.6 | -157.5 | 174.9 | -177.2 | 140.6 | -1.2 | 111.4 | S209 G213 | S209-R211 PolarHBondContact O-N 2.85Å; R211-G213 VanDerWaalsContact C-N 3.3Å; R211-G213 PolarHBondContact O-N 3.47Å |
| 212 | P | 58.9 | Low | 66.4 | Low | 135 Ų | 135 | 123.2 Ų | 123.2 | 88% | 0.877 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 91.4 | 172 | -16.5 | 28.3 | 0 | 0 | 0 | 109 | | |
| 213 | G | 57.7 | Low | 64.8 | Low | 32 Ų | 32 | 125.5 Ų | 125.5 | 33% | 0.33 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 161.3 | -6.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | R211 I215 R216 | R211-G213 VanDerWaalsContact C-N 3.3Å; R211-G213 PolarHBondContact O-N 3.47Å; G213-I215 PolarHBondContact O-N 3.03Å; G213-R216 PolarHBondContact O-N 2.86Å |
| 214 | G | 55.9 | Low | 63.2 | Low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -15.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 215 | I | 60.6 | Low | 61.5 | Low | 146 Ų | 146 | 128.3 Ų | 128.3 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -9.3 | 177.1 | 62.8 | 158.2 | 0 | 0 | 0 | 114.4 | G213 N217 Y218 | G213-I215 PolarHBondContact O-N 3.03Å; I215-N217 PolarHBondContact O-N 2.79Å; I215-Y218 PolarHBondContact O-N 3.37Å |
| 216 | R | 65.1 | Low | 60.1 | Low | 223 Ų | 223 | 128.1 Ų | 128.1 | 84% | 0.842 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -9 | -172.4 | -72.5 | -175.8 | 175.7 | -131.7 | 0.2 | 113.9 | G213 | G213-R216 PolarHBondContact O-N 2.86Š|
| 217 | N | 61.4 | Low | 58.8 | Low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 11.6 | 173.3 | -62.4 | -23.2 | 0 | 0 | 0 | 112.9 | I215 T219 | I215-N217 PolarHBondContact O-N 2.79Å; N217-T219 PolarHBondContact O-N 3.23Å |
| 218 | Y | 58.6 | Low | 57.9 | Low | 166 Ų | 166 | 128 Ų | 128 | 65% | 0.651 | 71% | 0.713 | S | S | * | * | | | trans | -87 | 95.8 | 172.1 | -171.4 | -98.1 | 0 | 0 | 0 | 109 | I215 P220 | I215-Y218 PolarHBondContact O-N 3.37Å; Y218-P220 HydrophobicContact CD1-CB 4.41Å; Y218-P220 HydrophobicContact CD1-CG 4Å; Y218-P220 HydrophobicContact CE1-CB 3.87Å; Y218-P220 HydrophobicContact CE1-CG 3.92Å; Y218-P220 VanDerWaalsContact O-CD 3.3Å; Y218-P220 WeakPolarHBondContact O-CD 3.31Å |
| 219 | T | 63.5 | Low | 57.2 | Low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | | | trans | -78.7 | 111.6 | 160.5 | -52.2 | 0 | 0 | 0 | 0 | 107 | N217 K221 | N217-T219 PolarHBondContact O-N 3.23Å; T219-K221 PolarHBondContact O-N 3.47Å; T219-K221 VanDerWaalsContact O-N 3.14Å |
| 220 | P | 65.4 | Low | 56.5 | Low | 55 Ų | 55 | 128.2 Ų | 128.2 | 36% | 0.357 | 72% | 0.721 | S | S | . | * | | | trans | -60 | 122.3 | 174.9 | -15.8 | 29 | 0 | 0 | 0 | 108.4 | Y218 I222 | Y218-P220 HydrophobicContact CD1-CB 4.41Å; Y218-P220 HydrophobicContact CD1-CG 4Å; Y218-P220 HydrophobicContact CE1-CB 3.87Å; Y218-P220 HydrophobicContact CE1-CG 3.92Å; Y218-P220 VanDerWaalsContact O-CD 3.3Å; Y218-P220 WeakPolarHBondContact O-CD 3.31Å; P220-I222 HydrophobicContact CB-CG1 4.21Å; P220-I222 PolarHBondContact O-N 2.86Å |
| 221 | K | 65.1 | Low | 56 | Low | 189 Ų | 189 | 131.4 Ų | 131.4 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 4.5 | 178.8 | -72.5 | -175.5 | 171.4 | -178.8 | 0 | 114.7 | T219 | T219-K221 PolarHBondContact O-N 3.47Å; T219-K221 VanDerWaalsContact O-N 3.14Å |
| 222 | I | 63.8 | Low | 55.3 | Low | 144 Ų | 144 | 124 Ų | 124 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -6.9 | -170 | -22.6 | 177.8 | 0 | 0 | 0 | 112.6 | P220 | P220-I222 HydrophobicContact CB-CG1 4.21Å; P220-I222 PolarHBondContact O-N 2.86Å |
| 223 | L | 57.7 | Low | 54.7 | Low | 162 Ų | 162 | 125 Ų | 125 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -108.7 | 6.5 | -177.6 | -62.2 | 179.5 | 0 | 0 | 0 | 114.7 | | |
| 224 | A | 51.1 | Low | 54.1 | Low | 88 Ų | 88 | 129.1 Ų | 129.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -110.3 | 23.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 225 | S | 49.2 | Very low | 53.8 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -125.4 | 49.4 | 176.7 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 226 | G | 51.3 | Low | 53.1 | Low | 54 Ų | 54 | 129.6 Ų | 129.6 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -90.5 | 133.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 227 | E | 50.5 | Low | 52.3 | Low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 63.3 | 120.3 | 158.5 | 55.8 | -164.4 | 134.8 | 0 | 0 | 119.5 | | |
| 228 | S | 45.5 | Very low | 51.7 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | 97.3 | 92.4 | 152.3 | -47.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 229 | S | 43.6 | Very low | 51.1 | Low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | | 71.5 | 115.7 | 125.9 | 63.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 230 | L | 44.2 | Very low | 50.6 | Low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | | 54.1 | 123.4 | 124.3 | -70.6 | 114.8 | 0 | 0 | 0 | 118.2 | | |
| 231 | S | 47.5 | Very low | 49.7 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 92% | 0.923 | 78% | 0.783 | S | S | * | * | | | trans | 73 | 131.4 | 171.7 | 80.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 232 | G | 44.3 | Very low | 48.9 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | cis | 164.5 | 162.5 | 14.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 233 | N | 46.6 | Very low | 48.2 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | 83 | 76.3 | 171.9 | -65.9 | 37 | 0 | 0 | 0 | 117.4 | | |
| 234 | S | 45.1 | Very low | 47.9 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | | 20.7 | 100.4 | 108 | -175.3 | 0 | 0 | 0 | 0 | 117 | | |
| 235 | S | 50.6 | Low | 47.9 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -144.6 | 113.7 | 144.9 | 61.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 236 | T | 45 | Very low | 47.7 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -47.2 | 123.2 | 179.7 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 237 | N | 47.4 | Very low | 47.5 | Very low | 167 Ų | 167 | 123 Ų | 123 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -149.1 | 90.5 | 149.1 | -91.5 | -22.6 | 0 | 0 | 0 | 107.4 | A239 | N237-A239 PolarHBondContact O-N 3.44Å; N237-A239 VanDerWaalsContact O-N 3.11Å |
| 238 | T | 49.2 | Very low | 47 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -63.6 | 103.2 | 176.2 | 24.1 | 0 | 0 | 0 | 0 | 111 | | |
| 239 | A | 46.9 | Very low | 47.3 | Very low | 85 Ų | 85 | 125.1 Ų | 125.1 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | 29.3 | 97 | 137.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | N237 S241 | N237-A239 PolarHBondContact O-N 3.44Å; N237-A239 VanDerWaalsContact O-N 3.11Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.17Å |
| 240 | L | 53.2 | Low | 47.2 | Very low | 179 Ų | 179 | 123.4 Ų | 123.4 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | -83.9 | 84.1 | 143.6 | -67.6 | 173.6 | 0 | 0 | 0 | 107.6 | S242 | L240-S242 PolarHBondContact O-N 2.99Š|
| 241 | S | 45.9 | Very low | 47.2 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -82.9 | 94.9 | 167.2 | -168.6 | 0 | 0 | 0 | 0 | 108 | A239 S243 | A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.17Å; S241-S243 PolarHBondContact O-N 3.38Å; S241-S243 VanDerWaalsContact O-N 3.11Å |
| 242 | S | 48.9 | Very low | 47 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 76 | 167.7 | 41.6 | 0 | 0 | 0 | 0 | 109.3 | L240 A244 | L240-S242 PolarHBondContact O-N 2.99Å; S242-A244 PolarHBondContact O-N 2.71Å; S242-A244 VanDerWaalsContact O-N 3.14Å |
| 243 | S | 48.3 | Very low | 47.4 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -69.8 | 100 | 160.1 | 47.8 | 0 | 0 | 0 | 0 | 108.5 | S241 P245 | S241-S243 PolarHBondContact O-N 3.38Å; S241-S243 VanDerWaalsContact O-N 3.11Å; S243-P245 WeakPolarHBondContact O-CD 3.23Å |
| 244 | A | 51.5 | Low | 47.1 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -77.2 | 120.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | S242 A246 | S242-A244 PolarHBondContact O-N 2.71Å; S242-A244 VanDerWaalsContact O-N 3.14Å; A244-A246 PolarHBondContact O-N 3.37Å |
| 245 | P | 51.8 | Low | 47.1 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -76.7 | 110.4 | 166.5 | 29.3 | -27.1 | 0 | 0 | 0 | 108 | S243 H247 | S243-P245 WeakPolarHBondContact O-CD 3.23Å; P245-H247 PolarHBondContact O-N 3.2Å |
| 246 | A | 43.8 | Very low | 47 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -62.1 | 101.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108 | A244 | A244-A246 PolarHBondContact O-N 3.37Š|
| 247 | H | 46.6 | Very low | 47.2 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 60% | 0.602 | 80% | 0.801 | S | S | * | * | | | trans | -127 | 98.1 | 169.5 | -167 | -76 | 0 | 0 | 0 | 109.8 | P245 Y249 | P245-H247 PolarHBondContact O-N 3.2Å; H247-Y249 AromaticContact ND1-CD2 3.6Å; H247-Y249 AromaticContact ND1-CE2 3.4Å; H247-Y249 WeakPolarHBondContact ND1-CE2 3.17Å; H247-Y249 AromaticContact ND1-CZ 3.88Å; H247-Y249 PolarHBondContact O-N 2.95Å |
| 248 | C | 41.8 | Very low | 46.9 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -58 | 115.7 | 169.4 | -64 | 0 | 0 | 0 | 0 | 110.1 | | |
| 249 | Y | 50.1 | Low | 46.6 | Very low | 215 Ų | 215 | 124.8 Ų | 124.8 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -93 | 91.1 | 160.6 | -82.9 | -86.2 | 0 | 0 | 0 | 108.8 | H247 | H247-Y249 AromaticContact ND1-CD2 3.6Å; H247-Y249 AromaticContact ND1-CE2 3.4Å; H247-Y249 WeakPolarHBondContact ND1-CE2 3.17Å; H247-Y249 AromaticContact ND1-CZ 3.88Å; H247-Y249 PolarHBondContact O-N 2.95Å |
| 250 | G | 42.7 | Very low | 46.5 | Very low | 59 Ų | 59 | 127.6 Ų | 127.6 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | -99.4 | 143.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G252 | G250-G252 PolarHBondContact O-N 3.46Š|
| 251 | P | 44.5 | Very low | 45.8 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 93% | 0.929 | 79% | 0.786 | S | S | * | * | | | trans | -81.5 | 120.9 | -165.9 | 32.1 | -32 | 0 | 0 | 0 | 111.2 | | |
| 252 | G | 43.8 | Very low | 45.6 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -167.1 | 95.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G250 | G250-G252 PolarHBondContact O-N 3.46Š|
| 253 | K | 51.5 | Low | 45.5 | Very low | 209 Ų | 209 | 124.1 Ų | 124.1 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | 45.1 | 106.9 | 147.8 | -50.4 | -161.7 | -178.4 | -175.6 | 0 | 118.8 | T255 | K253-T255 PolarHBondContact O-N 3.5Š|
| 254 | R | 41.1 | Very low | 45.2 | Very low | 232 Ų | 232 | 123.4 Ų | 123.4 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | -49.3 | 126.6 | 160.7 | -66.4 | 169.2 | 81 | -137.2 | 9.3 | 111.3 | | |
| 255 | T | 45.1 | Very low | 44.6 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -145.5 | 140.7 | 137.6 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | K253 | K253-T255 PolarHBondContact O-N 3.5Š|
| 256 | T | 46.8 | Very low | 44.2 | Very low | 123 Ų | 123 | 122 Ų | 122 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -96.5 | 124 | -159.9 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 257 | V | 49.8 | Very low | 44.3 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -152.3 | 102.8 | 150.7 | -136.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 258 | G | 41.7 | Very low | 43.9 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | -78.9 | 162.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 259 | G | 43 | Very low | 44.1 | Very low | 60 Ų | 60 | 117.7 Ų | 117.7 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | | | cis | 165.5 | 170.2 | 8.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 260 | T | 43.6 | Very low | 43.7 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | 68.3 | 137.9 | 160.3 | 54.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 261 | S | 40 | Very low | 43.7 | Very low | 120 Ų | 120 | 114.8 Ų | 114.8 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | cis | -179.4 | 160.3 | 23.6 | 26.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 262 | G | 42.1 | Very low | 43.8 | Very low | 76 Ų | 76 | 115.1 Ų | 115.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | 119.2 | 134.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 263 | S | 46.4 | Very low | 43.6 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 88% | 0.881 | 82% | 0.822 | S | S | * | * | | | cis | -178.1 | 146.7 | 3.7 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 264 | G | 41 | Very low | 43.4 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | trans | 94.6 | 130.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 265 | G | 39.1 | Very low | 43.7 | Very low | 71 Ų | 71 | 108.1 Ų | 108.1 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | cis | 172.7 | 148.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 266 | A | 44.6 | Very low | 43.7 | Very low | 110 Ų | 110 | 105 Ų | 105 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | 53.6 | 146.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 267 | A | 44.2 | Very low | 44.1 | Very low | 100 Ų | 100 | 106 Ų | 106 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | cis | -174.8 | 150.6 | -8.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 268 | G | 39.5 | Very low | 44.4 | Very low | 79 Ų | 79 | 104.9 Ų | 104.9 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | trans | 85.9 | 148.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 269 | A | 45 | Very low | 44.9 | Very low | 85 Ų | 85 | 107.1 Ų | 107.1 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | | | cis | -173.6 | 145.6 | -14.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 270 | T | 41.7 | Very low | 45.6 | Very low | 149 Ų | 149 | 115.1 Ų | 115.1 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | | | trans | 60.7 | 135.5 | 147.7 | 47.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 271 | G | 42.3 | Very low | 46 | Very low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 84% | 0.837 | S | S | * | * | | | cis | 172.4 | 163.4 | 7.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 272 | T | 48 | Very low | 46.3 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 91% | 0.914 | 84% | 0.837 | S | S | * | * | | | trans | 71 | 115 | 148.1 | 58 | 0 | 0 | 0 | 0 | 123 | | |
| 273 | G | 39.3 | Very low | 46.5 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | | | trans | 94 | 142.5 | 131.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 274 | A | 46.9 | Very low | 46.5 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 72% | 0.719 | 84% | 0.838 | S | S | * | * | | | cis | -178.6 | 148.7 | -9.3 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 275 | Q | 48 | Very low | 46.8 | Very low | 196 Ų | 196 | 124.2 Ų | 124.2 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | | | trans | 77.2 | 107.8 | 156.1 | -66.8 | 172.9 | -3.7 | 0 | 0 | 119.4 | | |
| 276 | G | 44.8 | Very low | 47.3 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | | | trans | -96.6 | 142.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 277 | T | 56.1 | Low | 47.5 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | | | trans | -163.1 | 135.7 | 160.2 | 44.9 | 0 | 0 | 0 | 0 | 102.3 | | |
| 278 | D | 54.1 | Low | 47.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 68% | 0.679 | 84% | 0.837 | S | S | * | * | | | cis | -170.2 | 140.4 | 13.4 | 172 | -3.7 | 0 | 0 | 0 | 103.4 | W280 | D278-W280 PolarHBondContact O-N 3.27Š|
| 279 | P | 52.2 | Low | 48.4 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | | | trans | -88.3 | 89.4 | -176.9 | 34.5 | -33.9 | 0 | 0 | 0 | 112.6 | | |
| 280 | W | 58.1 | Low | 48.7 | Very low | 228 Ų | 228 | 138.9 Ų | 138.9 | 86% | 0.864 | 85% | 0.85 | S | S | * | * | | | trans | -142.2 | 141.5 | 155.5 | -77.9 | 76.9 | 0 | 0 | 0 | 108.3 | D278 | D278-W280 PolarHBondContact O-N 3.27Š|
| 281 | I | 52.3 | Low | 49.3 | Very low | 248 Ų | 248 | 138 Ų | 138 | 100% | 1.272 | 84% | 0.844 | S | S | * | * | | | trans | 99.3 | 0 | -178 | -53.4 | 163.7 | 0 | 0 | 0 | 113.7 | | |