| 1 | M | 44.5 | Very low | 49 | Very low | 237 Ų | 237 | 149.3 Ų | 149.3 | 100% | 1.167 | 75% | 0.75 | S | S | * | * | | | | 0 | 104 | 0 | -78.5 | 164.4 | 167.3 | 0 | 0 | 106.5 | | |
| 2 | K | 45.9 | Very low | 49.1 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | | 69.1 | 101.5 | 110.7 | -76.9 | -162.9 | 179.3 | -165.9 | 0 | 112.1 | | |
| 3 | E | 42.8 | Very low | 49.4 | Very low | 141 Ų | 141 | 151 Ų | 151 | 66% | 0.659 | 76% | 0.759 | S | S | * | * | | | | 90.7 | 116.6 | 90.2 | -110.3 | -169.8 | 120.9 | 0 | 0 | 110 | | |
| 4 | N | 45.9 | Very low | 49.2 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | | | | 91.8 | 141.4 | 107.8 | -89.6 | -1.6 | 0 | 0 | 0 | 111.9 | | |
| 5 | Q | 53.3 | Low | 48.9 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 59% | 0.589 | 76% | 0.76 | S | S | * | * | | | cis | -170.8 | 164 | 7.3 | -88.7 | -116.1 | 31.9 | 0 | 0 | 107.8 | | |
| 6 | H | 49.8 | Very low | 48.7 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | | | trans | 65 | 141.8 | 146.6 | -79 | -54 | 0 | 0 | 0 | 117.9 | | |
| 7 | E | 50.7 | Low | 48.4 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 64% | 0.64 | 77% | 0.767 | S | S | * | * | | | | -174.2 | 146.3 | 50.6 | -144.8 | -178.7 | 165.7 | 0 | 0 | 110.7 | | |
| 8 | K | 56.7 | Low | 48.3 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | | | trans | 64.1 | 144.2 | 142.3 | -86.4 | 167.3 | -174.3 | 167.2 | 0 | 120.2 | | |
| 9 | T | 50.7 | Low | 48.7 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | cis | -178.8 | 150.2 | -14.6 | 12.8 | 0 | 0 | 0 | 0 | 104.5 | | |
| 10 | G | 49.9 | Very low | 48.8 | Very low | 66 Ų | 66 | 153.8 Ų | 153.8 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | 148.9 | 86.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 11 | E | 49.1 | Very low | 49.1 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | | 77.2 | 90.4 | 110 | -76.5 | -169.3 | 135.8 | 0 | 0 | 113.8 | | |
| 12 | T | 49.8 | Very low | 49.9 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | | 71.7 | 108.4 | 102.4 | 45.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 13 | K | 53.9 | Low | 50.7 | Low | 202 Ų | 202 | 144.9 Ų | 144.9 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | | | | -172.5 | 132.1 | 92.3 | -76.5 | -146.4 | -179.6 | -178.2 | 0 | 111.6 | | |
| 14 | H | 46.7 | Very low | 51.7 | Low | 195 Ų | 195 | 144.1 Ų | 144.1 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | | | trans | -37.9 | 148.7 | 154.1 | -69.5 | -79.5 | 0 | 0 | 0 | 111.8 | | |
| 15 | G | 43.7 | Very low | 52.4 | Low | 61 Ų | 61 | 142.7 Ų | 142.7 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | cis | 150.8 | 172.8 | 22.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 16 | Q | 46.9 | Very low | 53 | Low | 205 Ų | 205 | 142.8 Ų | 142.8 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | | | trans | 79.6 | 114.5 | 173 | -62.7 | -176.5 | -54.8 | 0 | 0 | 118.1 | | |
| 17 | G | 43.3 | Very low | 53.9 | Low | 67 Ų | 67 | 139.8 Ų | 139.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | | 119.4 | 85.2 | 115.8 | 0 | 0 | 0 | 0 | 0 | 114 | K19 | G17-K19 PolarHBondContact O-N 3.24Š|
| 18 | E | 46.4 | Very low | 54.6 | Low | 198 Ų | 198 | 144.5 Ų | 144.5 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | | | trans | -40.8 | 120.6 | 155.3 | -62.3 | 166.8 | 149.2 | 0 | 0 | 109.9 | | |
| 19 | K | 55.6 | Low | 55.2 | Low | 188 Ų | 188 | 142.4 Ų | 142.4 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | | | trans | -122.6 | 88 | 163.2 | -71.4 | -167.8 | -179.3 | -177.5 | 0 | 107.8 | G17 S21 | G17-K19 PolarHBondContact O-N 3.24Å; K19-S21 PolarHBondContact O-N 3.12Å; K19-S21 VanDerWaalsContact O-N 3.12Å |
| 20 | E | 50.4 | Low | 56.1 | Low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | -60.6 | 101.3 | 150.8 | -69.3 | -178.5 | 145.1 | 0 | 0 | 107.3 | | |
| 21 | S | 54.9 | Low | 56.7 | Low | 104 Ų | 104 | 151.5 Ų | 151.5 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | trans | -109.9 | 95.7 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | K19 | K19-S21 PolarHBondContact O-N 3.12Å; K19-S21 VanDerWaalsContact O-N 3.12Å |
| 22 | L | 62.7 | Low | 57.3 | Low | 161 Ų | 161 | 148.5 Ų | 148.5 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | | | trans | 29 | 137.6 | 151.3 | -62 | 168 | 0 | 0 | 0 | 120.4 | | |
| 23 | P | 60.8 | Low | 58.1 | Low | 122 Ų | 122 | 147.4 Ų | 147.4 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 141.5 | 175 | 29 | -33.2 | 0 | 0 | 0 | 112 | A25 | P23-A25 PolarHBondContact O-N 3.35Š|
| 24 | S | 64.1 | Low | 58.3 | Low | 126 Ų | 126 | 146.9 Ų | 146.9 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 128.8 | -179.4 | -147.1 | 0 | 0 | 0 | 0 | 113 | | |
| 25 | A | 62.2 | Low | 59 | Low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 144.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P23 | P23-A25 PolarHBondContact O-N 3.35Š|
| 26 | P | 64.4 | Low | 59.6 | Low | 127 Ų | 127 | 148.5 Ų | 148.5 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.5 | 178 | 27.6 | -32.4 | 0 | 0 | 0 | 110.5 | R28 | P26-R28 PolarHBondContact O-N 3.48Š|
| 27 | A | 68.6 | Low | 60.2 | Low | 98 Ų | 98 | 148.1 Ų | 148.1 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 28 | R | 65.4 | Low | 60.7 | Low | 237 Ų | 237 | 151.1 Ų | 151.1 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.1 | 177.5 | -158 | -177.2 | -80.1 | -171.1 | -4.3 | 109.4 | P26 | P26-R28 PolarHBondContact O-N 3.48Š|
| 29 | P | 69.1 | Low | 61.1 | Low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140.9 | 176.4 | -14.3 | 26.4 | 0 | 0 | 0 | 110.3 | E31 | P29-E31 PolarHBondContact O-N 2.88Š|
| 30 | K | 70.4 | Confident | 61.4 | Low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.1 | 171.3 | -74.4 | 178.6 | 176.2 | 178.9 | 0 | 109 | | |
| 31 | E | 62.8 | Low | 61.5 | Low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.1 | 173.4 | -161.9 | 171.7 | -160.2 | 0 | 0 | 109.7 | P29 A33 | P29-E31 PolarHBondContact O-N 2.88Å; E31-A33 PolarHBondContact O-N 3.41Å |
| 32 | P | 62.3 | Low | 61.6 | Low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 126.9 | 173.7 | 26.3 | -28.7 | 0 | 0 | 0 | 108.8 | E34 | P32-E34 PolarHBondContact O-N 3.38Š|
| 33 | A | 64.8 | Low | 61 | Low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -49 | 134.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E31 A35 | E31-A33 PolarHBondContact O-N 3.41Å; A33-A35 PolarHBondContact O-N 3.02Å |
| 34 | E | 58.7 | Low | 60.4 | Low | 190 Ų | 190 | 137.3 Ų | 137.3 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -29 | 107.2 | 173.7 | -63.4 | 176.5 | 158.9 | 0 | 0 | 112 | P32 K36 | P32-E34 PolarHBondContact O-N 3.38Å; E34-K36 VanDerWaalsContact C-N 3.32Å; E34-K36 PolarHBondContact O-N 3.33Å |
| 35 | A | 60.5 | Low | 59.8 | Low | 98 Ų | 98 | 140.2 Ų | 140.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -63.7 | 100.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | A33 Q37 | A33-A35 PolarHBondContact O-N 3.02Å; A35-Q37 PolarHBondContact O-N 2.94Å; A35-Q37 VanDerWaalsContact O-N 3.12Å |
| 36 | K | 58.3 | Low | 59.7 | Low | 192 Ų | 192 | 144.6 Ų | 144.6 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -41.7 | 120.9 | 167 | -74.9 | 178.3 | 175 | 179.9 | 0 | 108.2 | E34 T38 | E34-K36 VanDerWaalsContact C-N 3.32Å; E34-K36 PolarHBondContact O-N 3.33Å; K36-T38 PolarHBondContact O-N 3.12Å |
| 37 | Q | 59.2 | Low | 59.5 | Low | 197 Ų | 197 | 147.8 Ų | 147.8 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | -53.8 | 109.6 | 169.3 | -80 | -179.5 | -12.1 | 0 | 0 | 108.2 | A35 A39 | A35-Q37 PolarHBondContact O-N 2.94Å; A35-Q37 VanDerWaalsContact O-N 3.12Å; Q37-A39 PolarHBondContact O-N 3.03Å |
| 38 | T | 54.1 | Low | 59 | Low | 130 Ų | 130 | 150.3 Ų | 150.3 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | | | trans | -65 | 105.5 | 167.1 | -49.4 | 0 | 0 | 0 | 0 | 106.5 | K36 V40 | K36-T38 PolarHBondContact O-N 3.12Å; T38-V40 PolarHBondContact O-N 2.93Å |
| 39 | A | 54.8 | Low | 59 | Low | 91 Ų | 91 | 147.1 Ų | 147.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -57 | 110.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q37 N41 | Q37-A39 PolarHBondContact O-N 3.03Å; A39-N41 PolarHBondContact O-N 3.41Å |
| 40 | V | 61.8 | Low | 58.8 | Low | 134 Ų | 134 | 150.3 Ų | 150.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | trans | -67.1 | 106.7 | 173.4 | -155 | 0 | 0 | 0 | 0 | 105.5 | T38 S42 | T38-V40 PolarHBondContact O-N 2.93Å; V40-S42 PolarHBondContact O-N 2.99Å |
| 41 | N | 52.7 | Low | 58.6 | Low | 117 Ų | 117 | 142.8 Ų | 142.8 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | | | trans | -62.9 | 101.7 | 177 | -172.6 | 1.1 | 0 | 0 | 0 | 108.2 | A39 Q43 | A39-N41 PolarHBondContact O-N 3.41Å; N41-Q43 PolarHBondContact ND2-OE1 3.02Å; N41-Q43 VanDerWaalsContact ND2-OE1 3.08Å; N41-Q43 PolarHBondContact O-N 3.08Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.17Å; N41-Q43 WeakPolarHBondContact OD1-CG 3.34Å; N41-Q43 PolarHBondContact OD1-N 3.32Å; N41-Q43 PolarHBondContact OD1-OE1 3.19Å |
| 42 | S | 56.7 | Low | 59.1 | Low | 111 Ų | 111 | 140.3 Ų | 140.3 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -79.4 | 37.4 | 176 | 34.6 | 0 | 0 | 0 | 0 | 112.2 | V40 G44 | V40-S42 PolarHBondContact O-N 2.99Å; S42-G44 VanDerWaalsContact C-N 3.3Å; S42-G44 PolarHBondContact O-N 3.06Å |
| 43 | Q | 48.7 | Very low | 59.2 | Low | 165 Ų | 165 | 140.6 Ų | 140.6 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | | | trans | -87.1 | 73.2 | 167.9 | -78.6 | 179.7 | -26.1 | 0 | 0 | 109.9 | N41 | N41-Q43 PolarHBondContact ND2-OE1 3.02Å; N41-Q43 VanDerWaalsContact ND2-OE1 3.08Å; N41-Q43 PolarHBondContact O-N 3.08Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.17Å; N41-Q43 WeakPolarHBondContact OD1-CG 3.34Å; N41-Q43 PolarHBondContact OD1-N 3.32Å; N41-Q43 PolarHBondContact OD1-OE1 3.19Å |
| 44 | G | 49.5 | Very low | 59.2 | Low | 63 Ų | 63 | 140 Ų | 140 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | -165.3 | 31.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S42 Q46 | S42-G44 VanDerWaalsContact C-N 3.3Å; S42-G44 PolarHBondContact O-N 3.06Å; G44-Q46 PolarHBondContact O-N 3.13Å |
| 45 | Q | 50.8 | Low | 59.4 | Low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | trans | -70.6 | 92.6 | 163.3 | -72.3 | -171.2 | -12.6 | 0 | 0 | 106.9 | K47 | Q45-K47 PolarHBondContact O-N 2.94Å; Q45-K47 VanDerWaalsContact O-N 3.13Å |
| 46 | Q | 61.2 | Low | 59.6 | Low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -52.1 | 119.5 | 163.5 | -69.4 | -176.1 | -23.7 | 0 | 0 | 106.9 | G44 I48 | G44-Q46 PolarHBondContact O-N 3.13Å; Q46-I48 VanDerWaalsContact C-N 3.26Å; Q46-I48 PolarHBondContact O-N 2.83Å |
| 47 | K | 60.2 | Low | 60.1 | Low | 195 Ų | 195 | 133.2 Ų | 133.2 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | | | trans | -60.2 | 91.5 | 172.9 | -172.7 | 169.1 | -176.5 | -85.8 | 0 | 107.1 | Q45 E49 | Q45-K47 PolarHBondContact O-N 2.94Å; Q45-K47 VanDerWaalsContact O-N 3.13Å; K47-E49 PolarHBondContact O-N 2.72Å |
| 48 | I | 57.7 | Low | 60.3 | Low | 151 Ų | 151 | 130.4 Ų | 130.4 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | | | trans | -67.4 | 115.8 | 168.9 | -52.3 | 175.1 | 0 | 0 | 0 | 104.3 | Q46 E50 | Q46-I48 VanDerWaalsContact C-N 3.26Å; Q46-I48 PolarHBondContact O-N 2.83Å; I48-E50 PolarHBondContact O-N 2.8Å |
| 49 | E | 64.8 | Low | 60.4 | Low | 170 Ų | 170 | 132.4 Ų | 132.4 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | | | trans | -57.6 | 113.1 | 169.3 | -78.9 | -174.8 | 151.8 | 0 | 0 | 107.8 | K47 G51 | K47-E49 PolarHBondContact O-N 2.72Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 2.98Å |
| 50 | E | 64.4 | Low | 61 | Low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | trans | -64.5 | 98.5 | 169 | -68.7 | -178.8 | 176.8 | 0 | 0 | 107.2 | I48 | I48-E50 PolarHBondContact O-N 2.8Š|
| 51 | G | 67.5 | Low | 61.4 | Low | 48 Ų | 48 | 136 Ų | 136 | 50% | 0.495 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 162.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E49 V53 | E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 2.98Å; G51-V53 PolarHBondContact O-N 3.08Å |
| 52 | P | 72.5 | Confident | 61.8 | Low | 132 Ų | 132 | 137.1 Ų | 137.1 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -53 | 120.2 | -176.2 | 19.6 | -30.4 | 0 | 0 | 0 | 110.8 | P54 | P52-P54 WeakPolarHBondContact O-CD 3.4Š|
| 53 | V | 64.9 | Low | 62.2 | Low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 121.3 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | G51 N55 | G51-V53 PolarHBondContact O-N 3.08Å; V53-N55 PolarHBondContact O-N 2.81Å |
| 54 | P | 64.7 | Low | 62.7 | Low | 85 Ų | 85 | 132.6 Ų | 132.6 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.8 | 178.4 | 12.5 | -18.4 | 0 | 0 | 0 | 109.3 | P52 | P52-P54 WeakPolarHBondContact O-CD 3.4Š|
| 55 | N | 62 | Low | 63 | Low | 116 Ų | 116 | 137.7 Ų | 137.7 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.9 | 176.3 | -114.5 | -32.5 | 0 | 0 | 0 | 108.4 | V53 T57 D58 | V53-N55 PolarHBondContact O-N 2.81Å; N55-T57 PolarHBondContact O-N 3.23Å; N55-D58 PolarHBondContact O-N 3.03Å |
| 56 | P | 65.1 | Low | 63.6 | Low | 98 Ų | 98 | 134.6 Ų | 134.6 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -62.9 | -9.5 | -171.8 | 23.9 | -33.2 | 0 | 0 | 0 | 114.1 | | |
| 57 | T | 69.5 | Low | 63.5 | Low | 123 Ų | 123 | 130.5 Ų | 130.5 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -74.5 | -21.3 | 178.8 | -29.2 | 0 | 0 | 0 | 0 | 113.8 | N55 R59 | N55-T57 PolarHBondContact O-N 3.23Å; T57-R59 VanDerWaalsContact C-N 3.34Å |
| 58 | D | 62.3 | Low | 63.6 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -92.5 | 8.4 | -179 | -63.9 | -34.6 | 0 | 0 | 0 | 113.2 | N55 E60 | N55-D58 PolarHBondContact O-N 3.03Å; D58-E60 PolarHBondContact O-N 2.94Å |
| 59 | R | 56.7 | Low | 63.1 | Low | 173 Ų | 173 | 125 Ų | 125 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | | | trans | -86.2 | 110.4 | 174.5 | -72.4 | -172.7 | 176.3 | 175 | 0.4 | 109.5 | T57 | T57-R59 VanDerWaalsContact C-N 3.34Š|
| 60 | E | 66.8 | Low | 62.9 | Low | 169 Ų | 169 | 122.5 Ų | 122.5 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -46.8 | 144.5 | 160 | -70.9 | -173 | 161.2 | 0 | 0 | 109.7 | D58 I62 | D58-E60 PolarHBondContact O-N 2.94Å; E60-I62 PolarHBondContact O-N 3.38Å |
| 61 | P | 71.5 | Confident | 62.9 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 84% | 0.844 | 73% | 0.732 | S | S | * | * | | | trans | -62 | 98.2 | 179.2 | 25.3 | -32.8 | 0 | 0 | 0 | 109.4 | A63 | P61-A63 PolarHBondContact O-N 2.89Š|
| 62 | I | 60.1 | Low | 62.2 | Low | 141 Ų | 141 | 121.1 Ų | 121.1 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | | | trans | -62 | 114.3 | 170 | -56.7 | 174.1 | 0 | 0 | 0 | 105.5 | E60 A64 | E60-I62 PolarHBondContact O-N 3.38Å; I62-A64 PolarHBondContact O-N 3.01Å |
| 63 | A | 65 | Low | 61.2 | Low | 89 Ų | 89 | 120.4 Ų | 120.4 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 120 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P61 M65 | P61-A63 PolarHBondContact O-N 2.89Å; A63-M65 PolarHBondContact O-N 2.94Å; A63-M65 VanDerWaalsContact O-N 3.1Å |
| 64 | A | 60.5 | Low | 60.5 | Low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 120.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I62 | I62-A64 PolarHBondContact O-N 3.01Š|
| 65 | M | 54.7 | Low | 59.8 | Low | 170 Ų | 170 | 121 Ų | 121 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 129.3 | 166.4 | -69.4 | 176 | 65.3 | 0 | 0 | 107 | A63 A67 | A63-M65 PolarHBondContact O-N 2.94Å; A63-M65 VanDerWaalsContact O-N 3.1Å; M65-A67 PolarHBondContact O-N 2.95Å |
| 66 | P | 64.1 | Low | 59.5 | Low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 128.8 | 175.1 | 22 | -30 | 0 | 0 | 0 | 107.8 | A68 | P66-A68 PolarHBondContact O-N 3.27Å; P66-A68 VanDerWaalsContact O-N 3.1Å |
| 67 | A | 59.6 | Low | 59.1 | Low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -46 | 122.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | M65 V69 | M65-A67 PolarHBondContact O-N 2.95Å; A67-V69 PolarHBondContact O-N 2.98Å |
| 68 | A | 60.5 | Low | 58.6 | Low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | -52.7 | 114.6 | 172 | 0 | 0 | 0 | 0 | 0 | 106.7 | P66 T70 | P66-A68 PolarHBondContact O-N 3.27Å; P66-A68 VanDerWaalsContact O-N 3.1Å; A68-T70 VanDerWaalsContact C-N 3.34Å; A68-T70 PolarHBondContact O-N 3.05Å |
| 69 | V | 48.9 | Very low | 58.6 | Low | 137 Ų | 137 | 131.7 Ų | 131.7 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -60.4 | 104.8 | 172.6 | 176.3 | 0 | 0 | 0 | 0 | 105.4 | A67 P71 | A67-V69 PolarHBondContact O-N 2.98Å; V69-P71 WeakPolarHBondContact O-CD 3.25Å |
| 70 | T | 60.1 | Low | 58.4 | Low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | | | trans | -54.3 | 121.3 | 168.2 | 42.1 | 0 | 0 | 0 | 0 | 107.1 | A68 A72 | A68-T70 VanDerWaalsContact C-N 3.34Å; A68-T70 PolarHBondContact O-N 3.05Å; T70-A72 PolarHBondContact O-N 3.15Å; T70-A72 VanDerWaalsContact O-N 3.17Å |
| 71 | P | 63.2 | Low | 58.2 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -57.7 | 128.1 | 170.1 | 23.7 | -30.1 | 0 | 0 | 0 | 107 | V69 S73 | V69-P71 WeakPolarHBondContact O-CD 3.25Å; P71-S73 PolarHBondContact O-N 3.21Å |
| 72 | A | 53.2 | Low | 57.2 | Low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | -53.7 | 113.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | T70 N74 | T70-A72 PolarHBondContact O-N 3.15Å; T70-A72 VanDerWaalsContact O-N 3.17Å; A72-N74 PolarHBondContact O-N 2.93Å |
| 73 | S | 52.4 | Low | 57.1 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -76.2 | 57.3 | 173 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | P71 | P71-S73 PolarHBondContact O-N 3.21Š|
| 74 | N | 50.2 | Low | 56.4 | Low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | -112.6 | 98.5 | 167.4 | -70.3 | 11.1 | 0 | 0 | 0 | 105.3 | A72 E76 | A72-N74 PolarHBondContact O-N 2.93Å; N74-E76 PolarHBondContact O-N 2.77Å |
| 75 | G | 50.3 | Low | 55.7 | Low | 85 Ų | 85 | 132.4 Ų | 132.4 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | trans | -67.7 | 53.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R77 | G75-R77 PolarHBondContact O-N 2.95Š|
| 76 | E | 55.5 | Low | 55.4 | Low | 181 Ų | 181 | 130.2 Ų | 130.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -87.3 | 97.4 | 162.4 | -75 | -175.5 | 155 | 0 | 0 | 108 | N74 | N74-E76 PolarHBondContact O-N 2.77Š|
| 77 | R | 56.6 | Low | 54.4 | Low | 223 Ų | 223 | 131.3 Ų | 131.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -54.6 | 133.5 | 161.8 | -73.3 | 179.7 | -171.9 | -170.1 | 1.3 | 107 | G75 I79 | G75-R77 PolarHBondContact O-N 2.95Å; R77-I79 PolarHBondContact O-N 2.9Å |
| 78 | P | 59.5 | Low | 53.9 | Low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -57.6 | 116 | 167.2 | 24.3 | -30.2 | 0 | 0 | 0 | 106.8 | G80 | P78-G80 PolarHBondContact O-N 3.41Š|
| 79 | I | 60.3 | Low | 53 | Low | 171 Ų | 171 | 134 Ų | 134 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -67.9 | 95.7 | 171.8 | -47.8 | 170.9 | 0 | 0 | 0 | 103.8 | R77 E81 | R77-I79 PolarHBondContact O-N 2.9Å; I79-E81 PolarHBondContact O-N 2.82Å |
| 80 | G | 53.5 | Low | 53.2 | Low | 59 Ų | 59 | 132.8 Ų | 132.8 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | -56 | 134.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P78 E82 | P78-G80 PolarHBondContact O-N 3.41Å; G80-E82 PolarHBondContact O-N 2.82Å; G80-E82 VanDerWaalsContact O-N 3.16Å |
| 81 | E | 61.9 | Low | 52.9 | Low | 187 Ų | 187 | 135.1 Ų | 135.1 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -40.7 | 123.3 | 174.4 | -70 | 175.2 | 156.4 | 0 | 0 | 109.7 | I79 I83 | I79-E81 PolarHBondContact O-N 2.82Å; E81-I83 VanDerWaalsContact C-N 3.3Å; E81-I83 PolarHBondContact O-N 2.86Å |
| 82 | E | 50.6 | Low | 52.5 | Low | 195 Ų | 195 | 137.7 Ų | 137.7 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -60.5 | 95 | 175.2 | -139.2 | 178.7 | -172.4 | 0 | 0 | 107.3 | G80 P84 | G80-E82 PolarHBondContact O-N 2.82Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-P84 WeakPolarHBondContact O-CD 3.11Å |
| 83 | I | 58.6 | Low | 53 | Low | 141 Ų | 141 | 140 Ų | 140 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | | | trans | -63 | 121.6 | 174.9 | -50.4 | 172.2 | 0 | 0 | 0 | 105.6 | E81 S85 | E81-I83 VanDerWaalsContact C-N 3.3Å; E81-I83 PolarHBondContact O-N 2.86Å; I83-S85 PolarHBondContact O-N 3.07Å |
| 84 | P | 50.6 | Low | 53.7 | Low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | trans | -59.8 | 106.7 | 177.2 | 23.1 | -31.1 | 0 | 0 | 0 | 107.8 | E82 T86 | E82-P84 WeakPolarHBondContact O-CD 3.11Å; P84-T86 VanDerWaalsContact C-N 3.26Å; P84-T86 PolarHBondContact O-N 3.05Å |
| 85 | S | 45.3 | Very low | 54.6 | Low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -69.4 | 88.9 | 175.7 | -70.6 | 0 | 0 | 0 | 0 | 108 | I83 N87 | I83-S85 PolarHBondContact O-N 3.07Å; S85-N87 PolarHBondContact O-N 3.19Å |
| 86 | T | 47.7 | Very low | 55.2 | Low | 124 Ų | 124 | 144.6 Ų | 144.6 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | trans | -68.1 | 90.6 | 157.6 | 52.7 | 0 | 0 | 0 | 0 | 106.8 | P84 T88 | P84-T86 VanDerWaalsContact C-N 3.26Å; P84-T86 PolarHBondContact O-N 3.05Å; T86-T88 PolarHBondContact O-N 3.15Å |
| 87 | N | 43.5 | Very low | 55.9 | Low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | -64 | 86 | 164.6 | -178.8 | -10.7 | 0 | 0 | 0 | 108.1 | S85 | S85-N87 PolarHBondContact O-N 3.19Š|
| 88 | T | 48.5 | Very low | 56.4 | Low | 101 Ų | 101 | 137.8 Ų | 137.8 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | | | trans | -113.7 | 96.6 | 159.5 | -46 | 0 | 0 | 0 | 0 | 106 | T86 D90 | T86-T88 PolarHBondContact O-N 3.15Å; T88-D90 PolarHBondContact O-N 3.03Å |
| 89 | N | 42.6 | Very low | 56.6 | Low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -62 | 72.1 | 166.5 | -175 | 17.6 | 0 | 0 | 0 | 109.7 | | |
| 90 | D | 52.3 | Low | 56.6 | Low | 111 Ų | 111 | 137.7 Ų | 137.7 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | | | trans | -98.7 | 109 | 165.3 | -87.2 | -20.8 | 0 | 0 | 0 | 107.5 | T88 K92 | T88-D90 PolarHBondContact O-N 3.03Å; D90-K92 HydrophobicContact CB-CG 4.4Å; D90-K92 PolarHBondContact O-N 3.09Å |
| 91 | N | 54 | Low | 57 | Low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -56 | 71.5 | 168.7 | -106.1 | -31.7 | 0 | 0 | 0 | 111 | | |
| 92 | K | 55.9 | Low | 56.7 | Low | 174 Ų | 174 | 139.6 Ų | 139.6 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | trans | -100.1 | 123.3 | 170.4 | -66.2 | -162.1 | -178 | -172 | 0 | 108.8 | D90 | D90-K92 HydrophobicContact CB-CG 4.4Å; D90-K92 PolarHBondContact O-N 3.09Å |
| 93 | E | 64.2 | Low | 57.5 | Low | 133 Ų | 133 | 137.8 Ų | 137.8 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | | | trans | -43 | 135.2 | 175.6 | -162.1 | 178.4 | 173.2 | 0 | 0 | 109.8 | R96 | E93-R96 IonicContact OE1-CZ 2.81Å; E93-R96 IonicContact OE1-NE 3.45Å; E93-R96 PolarHBondContact OE1-NE 3.27Å; E93-R96 VanDerWaalsContact OE1-NE 3.08Å; E93-R96 IonicContact OE1-NH2 3.88Å; E93-R96 PolarHBondContact OE1-NH2 3.49Å |
| 94 | P | 67 | Low | 57.7 | Low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | trans | -55.5 | 145.7 | 177.7 | 23.1 | -32.9 | 0 | 0 | 0 | 109.6 | R96 | P94-R96 PolarHBondContact O-N 3.18Š|
| 95 | P | 67.7 | Low | 58.4 | Low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -55.1 | 115.8 | 178.3 | -18.9 | 29.1 | 0 | 0 | 0 | 109.1 | L97 | P95-L97 PolarHBondContact O-N 2.9Š|
| 96 | R | 63.4 | Low | 59.4 | Low | 208 Ų | 208 | 139.4 Ų | 139.4 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -64.8 | 109.3 | 172.1 | -72.8 | -171.4 | -173.5 | -171 | 2.9 | 107.4 | E93 P94 | E93-R96 IonicContact OE1-CZ 2.81Å; E93-R96 IonicContact OE1-NE 3.45Å; E93-R96 PolarHBondContact OE1-NE 3.27Å; E93-R96 VanDerWaalsContact OE1-NE 3.08Å; E93-R96 IonicContact OE1-NH2 3.88Å; E93-R96 PolarHBondContact OE1-NH2 3.49Å; P94-R96 PolarHBondContact O-N 3.18Å |
| 97 | L | 70.1 | Confident | 60.1 | Low | 152 Ų | 152 | 142.9 Ų | 142.9 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -57.1 | 139.7 | 167.8 | -66.2 | 172.7 | 0 | 0 | 0 | 108.1 | P95 S99 | P95-L97 PolarHBondContact O-N 2.9Å; L97-S99 PolarHBondContact O-N 3.15Å |
| 98 | P | 68.2 | Low | 61.1 | Low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | trans | -55.9 | 131.8 | 172 | 24.6 | -31.9 | 0 | 0 | 0 | 107.9 | Q100 | P98-Q100 PolarHBondContact O-N 2.89Š|
| 99 | S | 62.6 | Low | 61.5 | Low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -59.6 | 112.5 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 106.8 | L97 E101 | L97-S99 PolarHBondContact O-N 3.15Å; S99-E101 PolarHBondContact O-N 3.11Å |
| 100 | Q | 59.8 | Low | 62.4 | Low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -67.1 | 108 | 171.3 | -66 | -160.8 | -12.7 | 0 | 0 | 106.1 | P98 | P98-Q100 PolarHBondContact O-N 2.89Š|
| 101 | E | 61.6 | Low | 63 | Low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | trans | -52.8 | 145.9 | 165.5 | -72.7 | -175.8 | 161 | 0 | 0 | 108.4 | S99 L103 | S99-E101 PolarHBondContact O-N 3.11Å; E101-L103 PolarHBondContact O-N 2.94Å |
| 102 | P | 56.7 | Low | 63.4 | Low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | -53.7 | 120.7 | 174.9 | -19.5 | 30.1 | 0 | 0 | 0 | 108.8 | E104 | P102-E104 PolarHBondContact O-N 2.76Š|
| 103 | L | 67.9 | Low | 63.7 | Low | 156 Ų | 156 | 138 Ų | 138 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | | | trans | -64.6 | 104.5 | 173.3 | -155.4 | 90.5 | 0 | 0 | 0 | 106.9 | E101 V105 | E101-L103 PolarHBondContact O-N 2.94Å; L103-V105 WeakPolarHBondContact O-CG2 3.46Å; L103-V105 PolarHBondContact O-N 3.28Å |
| 104 | E | 62.6 | Low | 63.8 | Low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -63 | 102.2 | 169.4 | -83.3 | -173 | 160.5 | 0 | 0 | 108 | P102 A106 | P102-E104 PolarHBondContact O-N 2.76Å; E104-A106 PolarHBondContact O-N 3.17Å; E104-A106 VanDerWaalsContact O-N 3.15Å |
| 105 | V | 64.7 | Low | 63.6 | Low | 124 Ų | 124 | 140 Ų | 140 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -77.4 | 100.7 | 174.6 | -154.8 | 0 | 0 | 0 | 0 | 106.2 | L103 E107 | L103-V105 WeakPolarHBondContact O-CG2 3.46Å; L103-V105 PolarHBondContact O-N 3.28Å; V105-E107 PolarHBondContact O-N 2.75Å |
| 106 | A | 65.6 | Low | 63.4 | Low | 90 Ų | 90 | 139.2 Ų | 139.2 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | -57.3 | 124.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | E104 G108 | E104-A106 PolarHBondContact O-N 3.17Å; E104-A106 VanDerWaalsContact O-N 3.15Å; A106-G108 PolarHBondContact O-N 3.07Å |
| 107 | E | 63 | Low | 63.4 | Low | 197 Ų | 197 | 137.2 Ų | 137.2 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -57.2 | 104.5 | 173.8 | -73.2 | -173.6 | 157.1 | 0 | 0 | 108.7 | V105 | V105-E107 PolarHBondContact O-N 2.75Š|
| 108 | G | 65.2 | Low | 63.1 | Low | 54 Ų | 54 | 135.6 Ų | 135.6 | 56% | 0.557 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61 | 155.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A106 T110 | A106-G108 PolarHBondContact O-N 3.07Å; G108-T110 PolarHBondContact O-N 3.14Å; G108-T110 VanDerWaalsContact O-N 3.11Å |
| 109 | P | 57.1 | Low | 62.8 | Low | 131 Ų | 131 | 137.9 Ų | 137.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122.7 | -176 | 24.4 | -33.2 | 0 | 0 | 0 | 109.9 | | |
| 110 | T | 60.3 | Low | 62.5 | Low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57 | 125.3 | 173.4 | -14.9 | 0 | 0 | 0 | 0 | 107.5 | G108 K112 | G108-T110 PolarHBondContact O-N 3.14Å; G108-T110 VanDerWaalsContact O-N 3.11Å; T110-K112 PolarHBondContact O-N 2.88Å; T110-K112 VanDerWaalsContact O-N 3.14Å |
| 111 | P | 65.6 | Low | 62.5 | Low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 125.4 | 177 | 22.9 | -30.1 | 0 | 0 | 0 | 107.8 | | |
| 112 | K | 62.2 | Low | 62.3 | Low | 186 Ų | 186 | 132.6 Ų | 132.6 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 136.6 | 174.2 | -73.2 | -177.8 | 177.3 | 178.7 | 0 | 108.1 | T110 V114 | T110-K112 PolarHBondContact O-N 2.88Å; T110-K112 VanDerWaalsContact O-N 3.14Å; K112-V114 PolarHBondContact O-N 2.95Å; K112-V114 VanDerWaalsContact O-N 3.07Å |
| 113 | P | 62.2 | Low | 62.4 | Low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 120.9 | 168.7 | 23.9 | -30.4 | 0 | 0 | 0 | 107.3 | D115 | P113-D115 PolarHBondContact O-N 3.17Å; P113-D115 VanDerWaalsContact O-N 3.17Å |
| 114 | V | 65.5 | Low | 61.9 | Low | 121 Ų | 121 | 129 Ų | 129 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -69.5 | 109.3 | 165.3 | 174.5 | 0 | 0 | 0 | 0 | 104.4 | K112 T116 | K112-V114 PolarHBondContact O-N 2.95Å; K112-V114 VanDerWaalsContact O-N 3.07Å; V114-T116 PolarHBondContact O-N 2.96Å; V114-T116 PolarHBondContact O-OG1 3.41Å |
| 115 | D | 64.1 | Low | 61.5 | Low | 155 Ų | 155 | 125.7 Ų | 125.7 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -58 | 91.9 | 163.7 | -87.6 | -32 | 0 | 0 | 0 | 106.7 | P113 E117 | P113-D115 PolarHBondContact O-N 3.17Å; P113-D115 VanDerWaalsContact O-N 3.17Å; D115-E117 PolarHBondContact O-N 3.16Å |
| 116 | T | 63.4 | Low | 60.9 | Low | 107 Ų | 107 | 126.2 Ų | 126.2 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | trans | -86.4 | 94.9 | 171.4 | -42.9 | 0 | 0 | 0 | 0 | 103.2 | V114 | V114-T116 PolarHBondContact O-N 2.96Å; V114-T116 PolarHBondContact O-OG1 3.41Å |
| 117 | E | 63 | Low | 60.2 | Low | 166 Ų | 166 | 127.5 Ų | 127.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -48.6 | 131 | 163.7 | -79 | -172.9 | 157.2 | 0 | 0 | 107 | D115 I119 | D115-E117 PolarHBondContact O-N 3.16Å; E117-I119 PolarHBondContact O-N 3.22Å |
| 118 | P | 64.4 | Low | 59.9 | Low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -58.1 | 116.8 | 174.9 | 24.2 | -30.8 | 0 | 0 | 0 | 106.2 | A120 | P118-A120 PolarHBondContact O-N 2.89Š|
| 119 | I | 61.9 | Low | 59.1 | Low | 157 Ų | 157 | 125 Ų | 125 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | | | trans | -58.2 | 102.2 | 168.1 | -53.9 | 170 | 0 | 0 | 0 | 103.6 | E117 A121 | E117-I119 PolarHBondContact O-N 3.22Å; I119-A121 PolarHBondContact O-N 3.44Å |
| 120 | A | 55.7 | Low | 58.9 | Low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | | | trans | -55.1 | 111.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | P118 E122 | P118-A120 PolarHBondContact O-N 2.89Å; A120-E122 PolarHBondContact O-N 3.04Å |
| 121 | A | 59.5 | Low | 58.3 | Low | 95 Ų | 95 | 124.8 Ų | 124.8 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -63.3 | 89.9 | 169 | 0 | 0 | 0 | 0 | 0 | 105.2 | I119 | I119-A121 PolarHBondContact O-N 3.44Š|
| 122 | E | 58.2 | Low | 57.1 | Low | 173 Ų | 173 | 123.1 Ų | 123.1 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | trans | -55.4 | 124.7 | 166.3 | -72.1 | -170.1 | 159.2 | 0 | 0 | 105.7 | A120 A124 | A120-E122 PolarHBondContact O-N 3.04Å; E122-A124 PolarHBondContact O-N 3.42Å |
| 123 | P | 59.3 | Low | 56.3 | Low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | -58.3 | 120.8 | 174.5 | 24.1 | -31.2 | 0 | 0 | 0 | 106.4 | V125 | P123-V125 VanDerWaalsContact C-N 3.3Å; P123-V125 PolarHBondContact O-N 3.17Å |
| 124 | A | 55.9 | Low | 55.9 | Low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | trans | -54.2 | 101.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | E122 V126 | E122-A124 PolarHBondContact O-N 3.42Å; A124-V126 VanDerWaalsContact C-N 3.32Å; A124-V126 PolarHBondContact O-N 2.82Å |
| 125 | V | 54 | Low | 55.4 | Low | 120 Ų | 120 | 127.7 Ų | 127.7 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -64.5 | 102.9 | 170.5 | 176.4 | 0 | 0 | 0 | 0 | 104.6 | P123 T127 | P123-V125 VanDerWaalsContact C-N 3.3Å; P123-V125 PolarHBondContact O-N 3.17Å; V125-T127 HydrophobicContact CG1-CG2 4.23Å; V125-T127 PolarHBondContact O-N 2.89Å |
| 126 | V | 53.4 | Low | 54.9 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | -65 | 89.3 | 166.7 | 180 | 0 | 0 | 0 | 0 | 105.7 | A124 A128 | A124-V126 VanDerWaalsContact C-N 3.32Å; A124-V126 PolarHBondContact O-N 2.82Å; V126-A128 PolarHBondContact O-N 3.14Å; V126-A128 VanDerWaalsContact O-N 3.12Å |
| 127 | T | 50.8 | Low | 54.4 | Low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | trans | -65.7 | 108.9 | 162.2 | 36.2 | 0 | 0 | 0 | 0 | 106.1 | V125 N129 | V125-T127 HydrophobicContact CG1-CG2 4.23Å; V125-T127 PolarHBondContact O-N 2.89Å; T127-N129 VanDerWaalsContact C-N 3.27Å; T127-N129 PolarHBondContact O-N 3.23Å |
| 128 | A | 55.7 | Low | 54.1 | Low | 83 Ų | 83 | 127 Ų | 127 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | -58.6 | 98.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | V126 T130 | V126-A128 PolarHBondContact O-N 3.14Å; V126-A128 VanDerWaalsContact O-N 3.12Å; A128-T130 PolarHBondContact O-N 3.4Å |
| 129 | N | 49.8 | Very low | 53.6 | Low | 115 Ų | 115 | 128.3 Ų | 128.3 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | trans | -65.6 | 112.8 | 162.7 | 98 | 32.2 | 0 | 0 | 0 | 105.3 | T127 N131 | T127-N129 VanDerWaalsContact C-N 3.27Å; T127-N129 PolarHBondContact O-N 3.23Å; N129-N131 PolarHBondContact ND2-ND2 2.88Å; N129-N131 PolarHBondContact O-N 3.11Å; N129-N131 WeakPolarHBondContact OD1-CB 3.4Å; N129-N131 PolarHBondContact OD1-N 3.5Å; N129-N131 VanDerWaalsContact OD1-N 3.12Å; N129-N131 PolarHBondContact OD1-ND2 3.3Å; N129-N131 VanDerWaalsContact OD1-ND2 3.12Å |
| 130 | T | 51.4 | Low | 53 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -82 | 66.1 | 163.5 | 51.7 | 0 | 0 | 0 | 0 | 106.3 | A128 G132 | A128-T130 PolarHBondContact O-N 3.4Å; T130-G132 VanDerWaalsContact C-N 3.3Å; T130-G132 PolarHBondContact O-N 3.31Å |
| 131 | N | 48.3 | Very low | 53 | Low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | | | trans | -73 | 97.8 | 162 | -75.3 | -20.1 | 0 | 0 | 0 | 106.3 | N129 R133 | N129-N131 PolarHBondContact ND2-ND2 2.88Å; N129-N131 PolarHBondContact O-N 3.11Å; N129-N131 WeakPolarHBondContact OD1-CB 3.4Å; N129-N131 PolarHBondContact OD1-N 3.5Å; N129-N131 VanDerWaalsContact OD1-N 3.12Å; N129-N131 PolarHBondContact OD1-ND2 3.3Å; N129-N131 VanDerWaalsContact OD1-ND2 3.12Å; N131-R133 PolarHBondContact O-N 2.88Å |
| 132 | G | 41.5 | Very low | 52.5 | Low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -59.3 | 72.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T130 E134 | T130-G132 VanDerWaalsContact C-N 3.3Å; T130-G132 PolarHBondContact O-N 3.31Å; G132-E134 PolarHBondContact O-N 2.98Å |
| 133 | R | 44.6 | Very low | 52 | Low | 236 Ų | 236 | 130.2 Ų | 130.2 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | | | trans | -87.5 | 87 | 170.6 | -162.4 | 173.7 | -171.6 | 167.6 | 2 | 107.5 | N131 | N131-R133 PolarHBondContact O-N 2.88Š|
| 134 | E | 54.5 | Low | 51.2 | Low | 155 Ų | 155 | 132.9 Ų | 132.9 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -51.3 | 140.3 | 159 | -72 | -167.4 | 154.9 | 0 | 0 | 109 | G132 L136 | G132-E134 PolarHBondContact O-N 2.98Å; E134-L136 PolarHBondContact O-N 2.77Å |
| 135 | P | 54.3 | Low | 50.7 | Low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | | | trans | -71.4 | 88 | 169.3 | 29.8 | -30.7 | 0 | 0 | 0 | 107.8 | N137 | P135-N137 PolarHBondContact O-N 2.91Š|
| 136 | L | 53.9 | Low | 50.1 | Low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -68.1 | 109.3 | 170.9 | -150.9 | 83.5 | 0 | 0 | 0 | 107.7 | E134 V138 | E134-L136 PolarHBondContact O-N 2.77Å; L136-V138 PolarHBondContact O-N 3.03Å; L136-V138 VanDerWaalsContact O-N 3.12Å |
| 137 | N | 52.2 | Low | 50.1 | Low | 138 Ų | 138 | 130.6 Ų | 130.6 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -42.8 | 110.5 | 175.2 | -160.3 | 5.3 | 0 | 0 | 0 | 110.5 | P135 D139 | P135-N137 PolarHBondContact O-N 2.91Å; N137-D139 VanDerWaalsContact C-N 3.31Å; N137-D139 PolarHBondContact O-N 2.93Å |
| 138 | V | 55.8 | Low | 49.9 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -78.8 | 84.8 | 178.1 | -116.9 | 0 | 0 | 0 | 0 | 108.2 | L136 N140 | L136-V138 PolarHBondContact O-N 3.03Å; L136-V138 VanDerWaalsContact O-N 3.12Å; V138-N140 PolarHBondContact O-N 2.74Å |
| 139 | D | 54.9 | Low | 49.3 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -72.2 | 104.3 | 161.9 | -108.8 | -30.4 | 0 | 0 | 0 | 108.2 | N137 K141 | N137-D139 VanDerWaalsContact C-N 3.31Å; N137-D139 PolarHBondContact O-N 2.93Å; D139-K141 PolarHBondContact O-N 3.17Å; D139-K141 VanDerWaalsContact O-N 3.1Å |
| 140 | N | 49.1 | Very low | 49.1 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | -68.7 | 101.5 | 176.4 | -75.3 | -41.5 | 0 | 0 | 0 | 110.4 | V138 | V138-N140 PolarHBondContact O-N 2.74Š|
| 141 | K | 55.4 | Low | 48.9 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | trans | -134.4 | 111.1 | 158.9 | -171.7 | 171.3 | 179.4 | -77.1 | 0 | 110.8 | D139 T143 | D139-K141 PolarHBondContact O-N 3.17Å; D139-K141 VanDerWaalsContact O-N 3.1Å; K141-T143 PolarHBondContact NZ-OG1 3.1Å; K141-T143 PolarHBondContact O-N 2.91Å |
| 142 | P | 49.6 | Very low | 48.9 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -76.3 | 115.2 | 172.9 | 30.4 | -27.7 | 0 | 0 | 0 | 107.9 | | |
| 143 | T | 48.6 | Very low | 49 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | | | trans | -116.7 | 105.2 | 169.9 | -53.2 | 0 | 0 | 0 | 0 | 107.8 | K141 | K141-T143 PolarHBondContact NZ-OG1 3.1Å; K141-T143 PolarHBondContact O-N 2.91Å |
| 144 | I | 42.2 | Very low | 49.1 | Very low | 168 Ų | 168 | 140 Ų | 140 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | | | trans | -64.6 | 127.1 | 169.9 | -52.7 | 162.8 | 0 | 0 | 0 | 106.7 | | |
| 145 | G | 44.5 | Very low | 48.5 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -168.6 | 102.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 146 | S | 41.6 | Very low | 48.1 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -57.8 | 137.2 | 175.4 | -46 | 0 | 0 | 0 | 0 | 113.7 | | |
| 147 | A | 53.7 | Low | 47.5 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -177.5 | 136.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 148 | D | 45.6 | Very low | 47.2 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | cis | -165.3 | 132.9 | -3.2 | -155.7 | -3.9 | 0 | 0 | 0 | 102.2 | | |
| 149 | V | 43.2 | Very low | 46.9 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -99.7 | 103.3 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 105.3 | | |
| 150 | D | 46.2 | Very low | 46.3 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -140.3 | 137.4 | 165.6 | -94.3 | -29.6 | 0 | 0 | 0 | 111.2 | | |
| 151 | E | 46.7 | Very low | 45.8 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -63.9 | 132.5 | -171.7 | -53.7 | -178.6 | 153.6 | 0 | 0 | 112.4 | | |
| 152 | E | 49.5 | Very low | 45.3 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -141 | 108.9 | 145 | -116.1 | -169.3 | -179.6 | 0 | 0 | 112.7 | I154 | E152-I154 PolarHBondContact O-N 3.1Š|
| 153 | L | 42.6 | Very low | 45.1 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -53.2 | 102.6 | 166.6 | -146.6 | 89.1 | 0 | 0 | 0 | 110.6 | I155 | L153-I155 HydrophobicContact CD2-CD1 3.98Å; L153-I155 HydrophobicContact CD2-CG1 4.34Å; L153-I155 HydrophobicContact CG-CG1 4.45Å |
| 154 | I | 46.2 | Very low | 45 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | -119.7 | 93.9 | 160.7 | -54.5 | -176.1 | 0 | 0 | 0 | 110.2 | E152 S156 | E152-I154 PolarHBondContact O-N 3.1Å; I154-S156 PolarHBondContact O-N 3.19Å |
| 155 | I | 43.3 | Very low | 45.8 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 67% | 0.672 | 76% | 0.761 | S | S | * | * | | | trans | -53 | 112.6 | 167 | -60.9 | 156 | 0 | 0 | 0 | 109.4 | L153 | L153-I155 HydrophobicContact CD2-CD1 3.98Å; L153-I155 HydrophobicContact CD2-CG1 4.34Å; L153-I155 HydrophobicContact CG-CG1 4.45Å |
| 156 | S | 44.8 | Very low | 46.3 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -102.3 | 110.4 | 158.9 | -78.9 | 0 | 0 | 0 | 0 | 109 | I154 | I154-S156 PolarHBondContact O-N 3.19Š|
| 157 | P | 42.4 | Very low | 47 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | | | trans | -79.7 | 159 | 169.8 | 35.7 | -30.8 | 0 | 0 | 0 | 109 | | |
| 158 | F | 46.2 | Very low | 47.2 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 82% | 0.82 | 76% | 0.761 | S | S | * | * | | | trans | 80.1 | 73.9 | 173.4 | -73.8 | -96.5 | 0 | 0 | 0 | 118.7 | | |
| 159 | I | 48.9 | Very low | 47.9 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 82% | 0.821 | 77% | 0.768 | S | S | * | * | | | trans | -136.6 | 85.8 | 134.6 | -50.9 | 178.4 | 0 | 0 | 0 | 108.6 | | |
| 160 | P | 41.5 | Very low | 48.7 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -81.4 | 132.3 | 171.5 | 31.8 | -28.3 | 0 | 0 | 0 | 110.3 | | |
| 161 | N | 38.6 | Very low | 49.6 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | 54.2 | 79.2 | 157.3 | -86.8 | -23.6 | 0 | 0 | 0 | 117.4 | | |
| 162 | T | 44.9 | Very low | 50.9 | Low | 112 Ų | 112 | 140.8 Ų | 140.8 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | -92.8 | 89.4 | 140.9 | 61.4 | 0 | 0 | 0 | 0 | 107.5 | N164 | T162-N164 PolarHBondContact O-N 3.45Š|
| 163 | T | 45.9 | Very low | 52.3 | Low | 114 Ų | 114 | 138.9 Ų | 138.9 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | | | trans | -53.2 | 94.1 | 161.7 | -54.2 | 0 | 0 | 0 | 0 | 107.1 | P165 | T163-P165 WeakPolarHBondContact O-CD 3.49Å; T163-P165 VanDerWaalsContact O-N 3.08Å |
| 164 | N | 46.8 | Very low | 54 | Low | 134 Ų | 134 | 138.9 Ų | 138.9 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 120 | 169.7 | -78.1 | -55.7 | 0 | 0 | 0 | 106.1 | T162 | T162-N164 PolarHBondContact O-N 3.45Š|
| 165 | P | 58 | Low | 55.7 | Low | 101 Ų | 101 | 135.7 Ų | 135.7 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135 | 172.5 | 24.4 | -31 | 0 | 0 | 0 | 106.3 | T163 L167 | T163-P165 WeakPolarHBondContact O-CD 3.49Å; T163-P165 VanDerWaalsContact O-N 3.08Å; P165-L167 PolarHBondContact O-N 2.79Å; P165-L167 VanDerWaalsContact O-N 3.09Å |
| 166 | P | 56.8 | Low | 57.6 | Low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 128.7 | 176.9 | 22.7 | -32 | 0 | 0 | 0 | 106.6 | K168 | P166-K168 VanDerWaalsContact C-N 3.27Å; P166-K168 PolarHBondContact O-N 3.46Å |
| 167 | L | 54.5 | Low | 59.6 | Low | 173 Ų | 173 | 136.7 Ų | 136.7 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | | | trans | -44.8 | 98.4 | 176 | -77.5 | 157.1 | 0 | 0 | 0 | 107.1 | P165 K169 | P165-L167 PolarHBondContact O-N 2.79Å; P165-L167 VanDerWaalsContact O-N 3.09Å; L167-K169 PolarHBondContact O-N 3.32Å |
| 168 | K | 59.1 | Low | 61.9 | Low | 187 Ų | 187 | 136.9 Ų | 136.9 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | | | trans | -54.6 | 116.1 | -179.9 | -81.5 | 178.5 | 177.2 | 176.4 | 0 | 103.9 | P166 R170 | P166-K168 VanDerWaalsContact C-N 3.27Å; P166-K168 PolarHBondContact O-N 3.46Å; K168-R170 VanDerWaalsContact C-N 3.3Å; K168-R170 PolarHBondContact O-N 3.31Å |
| 169 | K | 60.2 | Low | 63.9 | Low | 205 Ų | 205 | 137.2 Ų | 137.2 | 89% | 0.891 | 68% | 0.684 | S | S | * | * | | | trans | -42.7 | 102 | 175.9 | -77.9 | 179.1 | 176.3 | 179.9 | 0 | 106.3 | L167 E171 | L167-K169 PolarHBondContact O-N 3.32Å; K169-E171 PolarHBondContact O-N 3.06Å |
| 170 | R | 59.9 | Low | 65.9 | Low | 246 Ų | 246 | 137.1 Ų | 137.1 | 93% | 0.928 | 67% | 0.673 | S | S | * | * | | | trans | -68.7 | 91.5 | 171.9 | -76.7 | -176.2 | 176.3 | -172.8 | -0.7 | 102.8 | K168 S172 | K168-R170 VanDerWaalsContact C-N 3.3Å; K168-R170 PolarHBondContact O-N 3.31Å; R170-S172 PolarHBondContact O-N 3.37Å |
| 171 | E | 65 | Low | 68.3 | Low | 108 Ų | 108 | 135 Ų | 135 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | | | trans | -50.5 | 117.6 | 163.5 | -80.8 | -177.3 | 155.4 | 0 | 0 | 105.6 | K169 I173 R176 | K169-E171 PolarHBondContact O-N 3.06Å; E171-I173 PolarHBondContact O-N 2.85Å; E171-R176 IonicContact OE2-NE 3.38Å; E171-R176 PolarHBondContact OE2-NE 3.07Å; E171-R176 IonicContact OE2-NH2 3.08Å |
| 172 | S | 73.6 | Confident | 70.6 | Confident | 59 Ų | 59 | 131.9 Ų | 131.9 | 41% | 0.413 | 65% | 0.646 | S | S | . | * | | | trans | -55.9 | 137.8 | 177 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | R170 F174 T175 R176 | R170-S172 PolarHBondContact O-N 3.37Å; S172-F174 PolarHBondContact O-N 2.77Å; S172-F174 WeakPolarHBondContact OG-CB 3.38Å; S172-F174 PolarHBondContact OG-N 3.45Å; S172-T175 WeakPolarHBondContact O-CA 3.34Å; S172-T175 WeakPolarHBondContact O-CB 3.45Å; S172-T175 PolarHBondContact O-N 3.06Å; S172-R176 PolarHBondContact O-N 3.24Å |
| 173 | I | 78.4 | Confident | 72.6 | Confident | 138 Ų | 138 | 135 Ų | 135 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -49.7 | -32.8 | 170.6 | -85.5 | 157.2 | 0 | 0 | 0 | 110.4 | E171 T175 R176 F177 | E171-I173 PolarHBondContact O-N 2.85Å; I173-T175 PolarHBondContact O-N 3Å; I173-R176 PolarHBondContact O-N 3.12Å; I173-F177 VanDerWaalsContact O-CB 3.31Å; I173-F177 WeakPolarHBondContact O-CB 3.31Å; I173-F177 PolarHBondContact O-N 2.82Å |
| 174 | F | 79.3 | Confident | 74.7 | Confident | 149 Ų | 149 | 132.7 Ų | 132.7 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.2 | -42.2 | 171.7 | -81.5 | -87.1 | 0 | 0 | 0 | 113.6 | S172 F177 L178 | S172-F174 PolarHBondContact O-N 2.77Å; S172-F174 WeakPolarHBondContact OG-CB 3.38Å; S172-F174 PolarHBondContact OG-N 3.45Å; F174-F177 PolarHBondContact O-N 3.05Å; F174-L178 WeakPolarHBondContact O-CB 3.44Å; F174-L178 WeakPolarHBondContact O-CD1 3.38Å; F174-L178 WeakPolarHBondContact O-CG 3.47Å; F174-L178 PolarHBondContact O-N 3.12Å |
| 175 | T | 81.3 | Confident | 76.6 | Confident | 79 Ų | 79 | 133.3 Ų | 133.3 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.7 | -39.2 | 178.7 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | S172 I173 R179 | S172-T175 WeakPolarHBondContact O-CA 3.34Å; S172-T175 WeakPolarHBondContact O-CB 3.45Å; S172-T175 PolarHBondContact O-N 3.06Å; I173-T175 PolarHBondContact O-N 3Å; T175-R179 WeakPolarHBondContact O-CB 3.5Å; T175-R179 PolarHBondContact O-N 2.71Å |
| 176 | R | 83 | Confident | 77.8 | Confident | 158 Ų | 158 | 137.5 Ų | 137.5 | 60% | 0.596 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.7 | -42.2 | 173.9 | -69.8 | -176.6 | -179.8 | 173.4 | 0.8 | 111.8 | E171 S172 I173 R179 W180 | E171-R176 IonicContact OE2-NE 3.38Å; E171-R176 PolarHBondContact OE2-NE 3.07Å; E171-R176 IonicContact OE2-NH2 3.08Å; S172-R176 PolarHBondContact O-N 3.24Å; I173-R176 PolarHBondContact O-N 3.12Å; R176-R179 PolarHBondContact O-N 2.87Å; R176-W180 WeakPolarHBondContact O-CB 3.38Å; R176-W180 PolarHBondContact O-N 2.8Å |
| 177 | F | 88.4 | Confident | 78.6 | Confident | 108 Ų | 108 | 139.2 Ų | 139.2 | 47% | 0.474 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -46.3 | 178.2 | 179.9 | -106.5 | 0 | 0 | 0 | 112.5 | I173 F174 R179 W180 L181 | I173-F177 VanDerWaalsContact O-CB 3.31Å; I173-F177 WeakPolarHBondContact O-CB 3.31Å; I173-F177 PolarHBondContact O-N 2.82Å; F174-F177 PolarHBondContact O-N 3.05Å; F177-R179 VanDerWaalsContact C-N 3.33Å; F177-R179 PolarHBondContact O-N 2.91Å; F177-W180 HydrophobicContact CD2-CE3 4.41Å; F177-W180 HydrophobicContact CE2-CE3 4.29Å; F177-W180 HydrophobicContact CE2-CZ3 4.34Å; F177-W180 WeakPolarHBondContact O-CB 3.46Å; F177-W180 PolarHBondContact O-N 3.17Å; F177-W180 VanDerWaalsContact O-N 3.17Å; F177-L181 HydrophobicContact CD1-CD1 3.82Å; F177-L181 HydrophobicContact CE1-CD1 3.28Å; F177-L181 HydrophobicContact CE1-CG 4.1Å; F177-L181 HydrophobicContact CE2-CD1 4.44Å; F177-L181 HydrophobicContact CE2-CG 4.44Å; F177-L181 HydrophobicContact CZ-CD1 3.64Å; F177-L181 HydrophobicContact CZ-CD2 4.41Å; F177-L181 HydrophobicContact CZ-CG 4.06Å; F177-L181 PolarHBondContact O-N 3.12Å |
| 178 | L | 90.3 | Very high | 79.3 | Confident | 101 Ų | 101 | 140.3 Ų | 140.3 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.5 | -44 | 174.6 | -81 | 157.3 | 0 | 0 | 0 | 111.4 | F174 W180 L181 S182 | F174-L178 WeakPolarHBondContact O-CB 3.44Å; F174-L178 WeakPolarHBondContact O-CD1 3.38Å; F174-L178 WeakPolarHBondContact O-CG 3.47Å; F174-L178 PolarHBondContact O-N 3.12Å; L178-W180 VanDerWaalsContact C-N 3.29Å; L178-W180 PolarHBondContact O-N 3.29Å; L178-L181 PolarHBondContact O-N 2.67Å; L178-S182 PolarHBondContact O-N 3.05Å; L178-S182 PolarHBondContact O-OG 3.26Å; L178-S182 VanDerWaalsContact O-OG 3.11Å |
| 179 | R | 88 | Confident | 80.3 | Confident | 193 Ų | 193 | 138 Ų | 138 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.9 | -35.8 | 177 | -166.8 | 175.2 | 112.3 | 161.5 | 4.1 | 112.3 | T175 R176 F177 R183 | T175-R179 WeakPolarHBondContact O-CB 3.5Å; T175-R179 PolarHBondContact O-N 2.71Å; R176-R179 PolarHBondContact O-N 2.87Å; F177-R179 VanDerWaalsContact C-N 3.33Å; F177-R179 PolarHBondContact O-N 2.91Å; R179-R183 PolarHBondContact O-N 3.06Å |
| 180 | W | 89.7 | Confident | 81.4 | Confident | 159 Ų | 159 | 134.5 Ų | 134.5 | 60% | 0.602 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.4 | -46.5 | 174.6 | -178.5 | 78.9 | 0 | 0 | 0 | 111.5 | R176 F177 L178 S182 R183 I184 | R176-W180 WeakPolarHBondContact O-CB 3.38Å; R176-W180 PolarHBondContact O-N 2.8Å; F177-W180 HydrophobicContact CD2-CE3 4.41Å; F177-W180 HydrophobicContact CE2-CE3 4.29Å; F177-W180 HydrophobicContact CE2-CZ3 4.34Å; F177-W180 WeakPolarHBondContact O-CB 3.46Å; F177-W180 PolarHBondContact O-N 3.17Å; F177-W180 VanDerWaalsContact O-N 3.17Å; L178-W180 VanDerWaalsContact C-N 3.29Å; L178-W180 PolarHBondContact O-N 3.29Å; W180-S182 PolarHBondContact O-N 3Å; W180-R183 WeakPolarHBondContact O-CB 3.46Å; W180-R183 PolarHBondContact O-N 3.12Å; W180-R183 VanDerWaalsContact O-N 3.14Å; W180-I184 HydrophobicContact CD2-CD1 3.71Å; W180-I184 HydrophobicContact CE3-CD1 3.63Å; W180-I184 HydrophobicContact CH2-CD1 3.45Å; W180-I184 VanDerWaalsContact CH2-CD1 3.45Å; W180-I184 HydrophobicContact CZ2-CD1 3.53Å; W180-I184 HydrophobicContact CZ3-CD1 3.49Å; W180-I184 VanDerWaalsContact CZ3-CD1 3.49Å; W180-I184 PolarHBondContact O-N 3.09Å; W180-I184 VanDerWaalsContact O-N 3.15Å |
| 181 | L | 92.2 | Very high | 82.6 | Confident | 53 Ų | 53 | 128.3 Ų | 128.3 | 28% | 0.277 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58.6 | -48.1 | 174.4 | -78.6 | 173.1 | 0 | 0 | 0 | 112.4 | F177 L178 R183 I184 F185 | F177-L181 HydrophobicContact CD1-CD1 3.82Å; F177-L181 HydrophobicContact CE1-CD1 3.28Å; F177-L181 HydrophobicContact CE1-CG 4.1Å; F177-L181 HydrophobicContact CE2-CD1 4.44Å; F177-L181 HydrophobicContact CE2-CG 4.44Å; F177-L181 HydrophobicContact CZ-CD1 3.64Å; F177-L181 HydrophobicContact CZ-CD2 4.41Å; F177-L181 HydrophobicContact CZ-CG 4.06Å; F177-L181 PolarHBondContact O-N 3.12Å; L178-L181 PolarHBondContact O-N 2.67Å; L181-R183 PolarHBondContact O-N 3.26Å; L181-I184 PolarHBondContact O-N 3.1Å; L181-F185 HydrophobicContact CD2-CE2 4.45Å; L181-F185 VanDerWaalsContact O-CD2 3.25Å; L181-F185 WeakPolarHBondContact O-CD2 3.21Å; L181-F185 PolarHBondContact O-N 2.72Å |
| 182 | S | 87.6 | Confident | 83.6 | Confident | 80 Ų | 80 | 129.5 Ų | 129.5 | 56% | 0.559 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.2 | -32.8 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | L178 W180 Y186 | L178-S182 PolarHBondContact O-N 3.05Å; L178-S182 PolarHBondContact O-OG 3.26Å; L178-S182 VanDerWaalsContact O-OG 3.11Å; W180-S182 PolarHBondContact O-N 3Å; S182-Y186 WeakPolarHBondContact O-CB 3.4Å; S182-Y186 PolarHBondContact O-N 2.79Å |
| 183 | R | 87.6 | Confident | 84.2 | Confident | 177 Ų | 177 | 133.9 Ų | 133.9 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72 | -36.1 | 177.5 | -160 | 161.4 | -178.4 | 94.5 | -3.7 | 111.8 | R179 W180 L181 Y186 F187 | R179-R183 PolarHBondContact O-N 3.06Å; W180-R183 WeakPolarHBondContact O-CB 3.46Å; W180-R183 PolarHBondContact O-N 3.12Å; W180-R183 VanDerWaalsContact O-N 3.14Å; L181-R183 PolarHBondContact O-N 3.26Å; R183-Y186 PolarHBondContact O-N 3.28Å; R183-F187 HydrophobicContact CG-CD2 4.48Å; R183-F187 HydrophobicContact CG-CE2 4.05Å; R183-F187 WeakPolarHBondContact O-CD2 3.35Å |
| 184 | I | 89.3 | Confident | 84.6 | Confident | 66 Ų | 66 | 133.6 Ų | 133.6 | 34% | 0.338 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.4 | -47.4 | 175.2 | -64.1 | 164.1 | 0 | 0 | 0 | 110.8 | W180 L181 Y186 F187 L188 | W180-I184 HydrophobicContact CD2-CD1 3.71Å; W180-I184 HydrophobicContact CE3-CD1 3.63Å; W180-I184 HydrophobicContact CH2-CD1 3.45Å; W180-I184 VanDerWaalsContact CH2-CD1 3.45Å; W180-I184 HydrophobicContact CZ2-CD1 3.53Å; W180-I184 HydrophobicContact CZ3-CD1 3.49Å; W180-I184 VanDerWaalsContact CZ3-CD1 3.49Å; W180-I184 PolarHBondContact O-N 3.09Å; W180-I184 VanDerWaalsContact O-N 3.15Å; L181-I184 PolarHBondContact O-N 3.1Å; I184-Y186 PolarHBondContact O-N 3Å; I184-F187 PolarHBondContact O-N 3.26Å; I184-F187 VanDerWaalsContact O-N 3.09Å; I184-L188 PolarHBondContact O-N 3.36Å |
| 185 | F | 85.8 | Confident | 85 | Confident | 146 Ų | 146 | 132.5 Ų | 132.5 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.1 | -23.4 | 179.2 | -78.4 | -70.7 | 0 | 0 | 0 | 113.8 | L181 F187 | L181-F185 HydrophobicContact CD2-CE2 4.45Å; L181-F185 VanDerWaalsContact O-CD2 3.25Å; L181-F185 WeakPolarHBondContact O-CD2 3.21Å; L181-F185 PolarHBondContact O-N 2.72Å; F185-F187 VanDerWaalsContact C-N 3.3Å |
| 186 | Y | 83.4 | Confident | 85.3 | Confident | 189 Ų | 189 | 136.6 Ų | 136.6 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.8 | -22.5 | 174.6 | -176.1 | -94.7 | 0 | 0 | 0 | 113.2 | S182 R183 I184 | S182-Y186 WeakPolarHBondContact O-CB 3.4Å; S182-Y186 PolarHBondContact O-N 2.79Å; R183-Y186 PolarHBondContact O-N 3.28Å; I184-Y186 PolarHBondContact O-N 3Å |
| 187 | F | 73.8 | Confident | 85.5 | Confident | 150 Ų | 150 | 134.8 Ų | 134.8 | 66% | 0.658 | 60% | 0.603 | S | S | * | * | | | trans | -100.7 | -2.4 | -179.8 | -72.8 | -69.1 | 0 | 0 | 0 | 113.8 | R183 I184 F185 | R183-F187 HydrophobicContact CG-CD2 4.48Å; R183-F187 HydrophobicContact CG-CE2 4.05Å; R183-F187 WeakPolarHBondContact O-CD2 3.35Å; I184-F187 PolarHBondContact O-N 3.26Å; I184-F187 VanDerWaalsContact O-N 3.09Å; F185-F187 VanDerWaalsContact C-N 3.3Å |
| 188 | L | 69.8 | Low | 85.2 | Confident | 196 Ų | 196 | 137.3 Ų | 137.3 | 100% | 1.026 | 62% | 0.615 | S | S | * | * | | | trans | -92.7 | 0 | 171.7 | -116.8 | 82 | 0 | 0 | 0 | 110.4 | I184 | I184-L188 PolarHBondContact O-N 3.36Š|