| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.4 | Very low | 40 | Very low | 229 Ų | 229 | 148.8 Ų | 148.8 | 100% | 1.128 | 82% | 0.816 | S | S | * | * | 0 | 98 | 0 | -56.7 | 165.7 | -174.2 | 0 | 0 | 107.5 | |||||
| 2 | E | 39.9 | Very low | 39.8 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | cis | -153.4 | 146.6 | -12.6 | -103.5 | 126.5 | 100.8 | 0 | 0 | 105.2 | ||||
| 3 | E | 40.2 | Very low | 39.7 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | 45.3 | 135.3 | 86.2 | -75.3 | -137 | 114.7 | 0 | 0 | 115.1 | |||||
| 4 | V | 43.1 | Very low | 39.2 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 57% | 0.57 | 83% | 0.83 | S | S | * | * | cis | -157.5 | 170 | -14.4 | -94.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 5 | H | 47.1 | Very low | 38.8 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | cis | -128.3 | -178.9 | 6.7 | -48.7 | -97.8 | 0 | 0 | 0 | 108.5 | ||||
| 6 | K | 45.5 | Very low | 38.4 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | cis | 76.8 | 86.8 | 15 | -163.1 | -179.5 | 176 | 180 | 0 | 118.8 | ||||
| 7 | S | 37.7 | Very low | 38 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | -135.5 | 125.4 | 158.2 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | S | 39.2 | Very low | 37.7 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | trans | -119.1 | 151.3 | -176.9 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | S | 38 | Very low | 37.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -161.4 | 148.6 | 148.2 | -82.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | N | 34.6 | Very low | 37.2 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -94.4 | 147.1 | -164.6 | -67.3 | -9.4 | 0 | 0 | 0 | 113.5 | ||||
| 11 | S | 36.8 | Very low | 37 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -85.8 | 132.9 | 158.1 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | S | 36.9 | Very low | 36.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -135 | 124.8 | 170.5 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 13 | V | 39.2 | Very low | 36.4 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -97.3 | 139.6 | 177.5 | -84 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 14 | T | 32.5 | Very low | 36.2 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 95% | 0.945 | 81% | 0.81 | S | S | * | * | trans | -167.7 | 165.1 | 142 | 9.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 15 | A | 33.1 | Very low | 35.8 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | trans | -141.9 | 155.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 16 | S | 31.7 | Very low | 35.3 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | 177 | 139.8 | 142.6 | -86.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 17 | Q | 31.9 | Very low | 34.8 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | 54.7 | 106.4 | 138.6 | -70 | 179.5 | 72.1 | 0 | 0 | 123 | ||||
| 18 | T | 33.3 | Very low | 34.7 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 83% | 0.831 | S | S | * | * | 40 | 130.2 | 120.8 | 58.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 19 | S | 33.3 | Very low | 34.8 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | trans | -157 | 164 | 145 | -88.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 20 | A | 30.9 | Very low | 34.8 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -63.2 | 143.5 | -155.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 21 | V | 34.3 | Very low | 34.8 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | trans | 7.6 | 124 | 133.5 | -176.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 22 | Q | 33.3 | Very low | 34.8 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -149.3 | 149.3 | 130.2 | -110.5 | 176.7 | 13 | 0 | 0 | 109.4 | ||||
| 23 | G | 31.1 | Very low | 34.8 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -119.8 | 144.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 24 | T | 37.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -133.9 | 118.5 | 177.2 | -46.1 | 0 | 0 | 0 | 0 | 110.1 | L26 | T24-L26 PolarHBondContact O-N 3.41Š| ||
| 25 | T | 34.5 | Very low | 34.7 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -69.4 | 125.5 | 172.8 | -41.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 26 | L | 35.5 | Very low | 35 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -107.1 | 132.9 | 170.9 | -68.7 | -179.1 | 0 | 0 | 0 | 110.7 | T24 | T24-L26 PolarHBondContact O-N 3.41Š| ||
| 27 | Q | 36.8 | Very low | 35.4 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -104.7 | 133.7 | -161.7 | -168.2 | 171.9 | 2.8 | 0 | 0 | 110.7 | A29 | Q27-A29 PolarHBondContact O-N 3.49Å; Q27-A29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | A | 35.5 | Very low | 35.2 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -82 | 94.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 29 | A | 39.8 | Very low | 35.4 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 70% | 0.702 | 83% | 0.834 | S | S | * | * | trans | -162.9 | 108.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q27 | Q27-A29 PolarHBondContact O-N 3.49Å; Q27-A29 VanDerWaalsContact O-N 3.16Å | ||
| 30 | Q | 37.8 | Very low | 35.8 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | 168.6 | 84.3 | 149.4 | -96.5 | 164.1 | -5.3 | 0 | 0 | 111.8 | ||||
| 31 | L | 36 | Very low | 36 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 97% | 0.969 | 84% | 0.836 | S | S | * | * | trans | -141.6 | 97.4 | 159 | -80.4 | -178.5 | 0 | 0 | 0 | 109.6 | ||||
| 32 | S | 35.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | -155.5 | 171.1 | 167.6 | -169 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 33 | H | 37 | Very low | 36.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | 68.8 | 82.6 | -175 | -43.3 | -73.7 | 0 | 0 | 0 | 115.2 | ||||
| 34 | I | 38.4 | Very low | 37.4 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | -166.9 | 103.3 | 120.2 | -92.8 | 150.1 | 0 | 0 | 0 | 107.5 | |||||
| 35 | A | 31.8 | Very low | 37.6 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -166.6 | 96.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 36 | Q | 38.5 | Very low | 37.8 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -143.6 | 140.7 | 173.5 | -93.9 | -160 | 28.5 | 0 | 0 | 112 | ||||
| 37 | Q | 39.9 | Very low | 38.2 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | 63.2 | 93.9 | 156.3 | -59.3 | 176 | 47.3 | 0 | 0 | 118.4 | ||||
| 38 | M | 28.6 | Very low | 38.4 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -139.3 | 99.9 | 129.2 | -80.8 | -58.3 | -90.4 | 0 | 0 | 108.4 | |||||
| 39 | S | 37 | Very low | 38.4 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -107.7 | 117 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 40 | L | 41.4 | Very low | 38.1 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -148 | 93.5 | 178.4 | -71.4 | 177.2 | 0 | 0 | 0 | 111 | ||||
| 41 | R | 36.2 | Very low | 38.1 | Very low | 247 Ų | 247 | 141.9 Ų | 141.9 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | 178.7 | 137.8 | 141.9 | -156.8 | 157.6 | -175.4 | 148.7 | -1.7 | 110.1 | ||||
| 42 | G | 40.1 | Very low | 38.2 | Very low | 60 Ų | 60 | 139.1 Ų | 139.1 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 169.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 43 | P | 44.4 | Very low | 38.6 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 135.7 | -177.4 | 29 | -34.9 | 0 | 0 | 0 | 112.1 | ||
| 44 | A | 43.8 | Very low | 38.7 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 144.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L46 | A44-L46 PolarHBondContact O-N 3.04Š|
| 45 | P | 40.6 | Very low | 38.6 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 124.8 | -176.6 | 27.8 | -34 | 0 | 0 | 0 | 111.5 | ||
| 46 | L | 40 | Very low | 39 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 113.8 | 170.3 | -63.2 | 177.7 | 0 | 0 | 0 | 109.4 | A44 V48 | A44-L46 PolarHBondContact O-N 3.04Å; L46-V48 PolarHBondContact O-N 3.05Å | ||
| 47 | T | 42.8 | Very low | 38.9 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -89.5 | 102.7 | 169.5 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | V49 | T47-V49 HydrophobicContact CG2-CG2 4.43Š| ||
| 48 | V | 40.9 | Very low | 39 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -86.1 | 115.7 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 109 | L46 | L46-V48 PolarHBondContact O-N 3.05Š| ||
| 49 | V | 35 | Very low | 39.3 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | -97.6 | 111.1 | 167.5 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | T47 | T47-V49 HydrophobicContact CG2-CG2 4.43Š| ||
| 50 | Q | 33.4 | Very low | 39.4 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | -86.9 | 122.2 | -178.8 | -175.7 | 69.5 | 68.3 | 0 | 0 | 110.8 | ||||
| 51 | L | 38.7 | Very low | 39.3 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | trans | -128.2 | 162.2 | 159.5 | -72.8 | 174.9 | 0 | 0 | 0 | 109.5 | ||||
| 52 | P | 37.5 | Very low | 39.4 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -98.8 | 124.1 | -171.5 | 6.6 | 14.7 | 0 | 0 | 0 | 112.2 | ||
| 53 | G | 43.7 | Very low | 39.2 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 119.4 | 140.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 54 | E | 39.1 | Very low | 38.9 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | 43.2 | 111.8 | 173.2 | -82.7 | 173 | 82.3 | 0 | 0 | 119.5 | V56 | E54-V56 PolarHBondContact O-N 3.16Š| ||
| 55 | Q | 38.1 | Very low | 38.6 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | trans | -87 | 99 | 164.9 | -66.3 | -172.6 | 16.2 | 0 | 0 | 110.8 | ||||
| 56 | V | 38.6 | Very low | 38.6 | Very low | 103 Ų | 103 | 135 Ų | 135 | 62% | 0.624 | 76% | 0.757 | S | S | * | * | trans | -105.6 | 111.7 | 164.3 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | E54 V58 | E54-V56 PolarHBondContact O-N 3.16Å; V56-V58 VanDerWaalsContact C-N 3.34Å; V56-V58 HydrophobicContact CG1-CG2 3.87Å; V56-V58 PolarHBondContact O-N 3.22Å | ||
| 57 | Q | 37.9 | Very low | 38.8 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -74.1 | 85.6 | 173.7 | -72.7 | -169.9 | 5.1 | 0 | 0 | 110.8 | ||||
| 58 | V | 40.2 | Very low | 38.6 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -84 | 111.3 | 166.8 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | V56 G60 | V56-V58 VanDerWaalsContact C-N 3.34Å; V56-V58 HydrophobicContact CG1-CG2 3.87Å; V56-V58 PolarHBondContact O-N 3.22Å; V58-G60 PolarHBondContact O-N 3.32Å | ||
| 59 | Q | 35.4 | Very low | 38.4 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -67.1 | 92 | 174.9 | 178.2 | 58.8 | 74.2 | 0 | 0 | 110 | V61 | Q59-V61 HydrophobicContact CG-CG2 4.42Å; Q59-V61 PolarHBondContact O-N 3.24Å | ||
| 60 | G | 39.9 | Very low | 38.5 | Very low | 52 Ų | 52 | 131.2 Ų | 131.2 | 54% | 0.536 | 76% | 0.755 | S | S | . | * | trans | -64.2 | 95.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V58 I62 | V58-G60 PolarHBondContact O-N 3.32Å; G60-I62 VanDerWaalsContact C-N 3.34Å; G60-I62 PolarHBondContact O-N 3.18Å | ||
| 61 | V | 38.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -76.7 | 88 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | Q59 Q63 | Q59-V61 HydrophobicContact CG-CG2 4.42Å; Q59-V61 PolarHBondContact O-N 3.24Å; V61-Q63 HydrophobicContact CG1-CB 4.4Å; V61-Q63 PolarHBondContact O-N 3.01Å | ||
| 62 | I | 38.9 | Very low | 38.5 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | -70.2 | 83.6 | 166.6 | -58.6 | -179.7 | 0 | 0 | 0 | 107.5 | G60 T64 | G60-I62 VanDerWaalsContact C-N 3.34Å; G60-I62 PolarHBondContact O-N 3.18Å; I62-T64 HydrophobicContact CG2-CG2 4.49Å; I62-T64 PolarHBondContact O-N 3.05Å | ||
| 63 | Q | 35.8 | Very low | 38.6 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -70.3 | 97.6 | 172.4 | -174.4 | 165.4 | 85.9 | 0 | 0 | 107.8 | V61 A65 | V61-Q63 HydrophobicContact CG1-CB 4.4Å; V61-Q63 PolarHBondContact O-N 3.01Å; Q63-A65 PolarHBondContact O-N 3.16Å | ||
| 64 | T | 37.8 | Very low | 38.5 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | trans | -64.3 | 103 | 176.4 | 46.2 | 0 | 0 | 0 | 0 | 109.1 | I62 Q66 | I62-T64 HydrophobicContact CG2-CG2 4.49Å; I62-T64 PolarHBondContact O-N 3.05Å; T64-Q66 PolarHBondContact O-N 3Å | ||
| 65 | A | 38.4 | Very low | 38.6 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -64.5 | 92.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q63 S67 | Q63-A65 PolarHBondContact O-N 3.16Å; A65-S67 PolarHBondContact O-N 2.85Å; A65-S67 VanDerWaalsContact O-N 3.14Å | ||
| 66 | Q | 40.2 | Very low | 38.6 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -69.3 | 105.6 | 164.9 | -69.6 | -171.3 | -12.3 | 0 | 0 | 107.5 | T64 S68 | T64-Q66 PolarHBondContact O-N 3Å; Q66-S68 VanDerWaalsContact C-N 3.29Å; Q66-S68 PolarHBondContact O-N 3.05Å | ||
| 67 | S | 43.4 | Very low | 38.6 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -64.2 | 83.1 | -178.8 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | A65 S69 | A65-S67 PolarHBondContact O-N 2.85Å; A65-S67 VanDerWaalsContact O-N 3.14Å; S67-S69 PolarHBondContact O-N 3.22Å | ||
| 68 | S | 39.8 | Very low | 38.4 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 91.7 | 175.7 | 43.6 | 0 | 0 | 0 | 0 | 110.1 | Q66 V70 | Q66-S68 VanDerWaalsContact C-N 3.29Å; Q66-S68 PolarHBondContact O-N 3.05Å; S68-V70 PolarHBondContact O-N 3.05Å | ||
| 69 | S | 35.6 | Very low | 38.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -62.8 | 99 | 173.2 | -173 | 0 | 0 | 0 | 0 | 110.3 | S67 I71 | S67-S69 PolarHBondContact O-N 3.22Å; S69-I71 PolarHBondContact O-N 2.98Å; S69-I71 VanDerWaalsContact O-N 3.09Å | ||
| 70 | V | 38.3 | Very low | 38 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -76.5 | 94.4 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | S68 H72 | S68-V70 PolarHBondContact O-N 3.05Å; V70-H72 PolarHBondContact O-N 3.42Å | ||
| 71 | I | 39.3 | Very low | 37.6 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67 | 118.9 | 169.8 | -62.5 | 177.8 | 0 | 0 | 0 | 108.4 | S69 S73 | S69-I71 PolarHBondContact O-N 2.98Å; S69-I71 VanDerWaalsContact O-N 3.09Å; I71-S73 PolarHBondContact O-N 3.42Å |
| 72 | H | 33.2 | Very low | 37.3 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.6 | 170.9 | -107.1 | 78 | 0 | 0 | 0 | 110.1 | V70 | V70-H72 PolarHBondContact O-N 3.42Š|
| 73 | S | 39.5 | Very low | 37 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95 | 133.6 | 164.6 | -70.2 | 0 | 0 | 0 | 0 | 109.5 | I71 | I71-S73 PolarHBondContact O-N 3.42Š|
| 74 | P | 40.9 | Very low | 37.1 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 146.9 | 174.5 | 29.1 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 75 | Q | 40.3 | Very low | 37.2 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 142.3 | 179.4 | -59.5 | 176.8 | 7.5 | 0 | 0 | 111 | ||
| 76 | V | 38.6 | Very low | 37.1 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -139.6 | 126.1 | 162 | -95.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 77 | Q | 37.7 | Very low | 37 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -92.4 | 128 | 177.4 | -66.7 | 168.3 | -40.7 | 0 | 0 | 110.1 | ||||
| 78 | T | 34.6 | Very low | 36.9 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -145.1 | 126.8 | 150.6 | 31.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 79 | V | 34 | Very low | 36.8 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | -106.6 | 126 | 172.8 | 172.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 80 | Q | 33.3 | Very low | 37.3 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -164.1 | 105.1 | 149.1 | -111.2 | 159 | 26.7 | 0 | 0 | 113.6 | ||||
| 81 | V | 30.9 | Very low | 37.9 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | trans | 14.6 | 122.7 | 142 | -173.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 82 | S | 31.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | 18.2 | 129 | 141.5 | -45.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 83 | S | 32.9 | Very low | 38.9 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | -140.6 | 138.2 | 126.5 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 84 | L | 39.4 | Very low | 39.3 | Very low | 179 Ų | 179 | 143 Ų | 143 | 94% | 0.937 | 81% | 0.811 | S | S | * | * | trans | -96.3 | 139.9 | 172.3 | -67.1 | 168.6 | 0 | 0 | 0 | 108.5 | ||||
| 85 | S | 38.9 | Very low | 39.6 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -156.9 | 108.1 | 158.5 | -160.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 86 | E | 36.7 | Very low | 39.6 | Very low | 195 Ų | 195 | 140.1 Ų | 140.1 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -87.1 | 131.4 | 164.8 | -64 | 178.2 | 114 | 0 | 0 | 107.6 | ||||
| 87 | S | 37.3 | Very low | 40.2 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -157.8 | 148.2 | 173.3 | -70.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 88 | E | 41.2 | Very low | 40.9 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -115.4 | 153.5 | -157.5 | -55.9 | -175 | 104.6 | 0 | 0 | 113.5 | ||||
| 89 | D | 38.8 | Very low | 41.4 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 62 | 159.7 | 149.1 | -157.1 | 42.5 | 0 | 0 | 0 | 122.2 | ||||
| 90 | S | 46.1 | Very low | 42 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 52% | 0.517 | 77% | 0.769 | S | S | . | * | trans | 60.9 | 107.1 | 154 | -82.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 91 | Q | 49.5 | Very low | 42.8 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 87.8 | 167.1 | 122.7 | -66.7 | -173.7 | 30.9 | 0 | 0 | 121.2 | |||||
| 92 | D | 46.2 | Very low | 44 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -68.1 | 140.7 | -158.6 | 179.8 | 33.8 | 0 | 0 | 0 | 115.1 | ||||
| 93 | S | 48.2 | Very low | 44.7 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -157.8 | 130.7 | 157.3 | -150 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 94 | S | 48.2 | Very low | 45.7 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | -91.6 | 171.3 | -179.6 | -73.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 95 | D | 47.2 | Very low | 46.5 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | 60.1 | 94.6 | 170.8 | -69.8 | -40.6 | 0 | 0 | 0 | 118.9 | ||||
| 96 | S | 39.5 | Very low | 47.2 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -141.9 | 65.2 | 153.3 | -158.2 | 0 | 0 | 0 | 0 | 112.7 | G98 | S96-G98 PolarHBondContact O-N 2.9Š| ||
| 97 | I | 52.2 | Low | 47.7 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -5.3 | 177.5 | 60.4 | 170.9 | 0 | 0 | 0 | 114.5 | ||
| 98 | G | 51.4 | Low | 48.7 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -26.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | S96 | S96-G98 PolarHBondContact O-N 2.9Š|
| 99 | S | 46 | Very low | 49.8 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -78.9 | -37.2 | -165.8 | -174.2 | 0 | 0 | 0 | 0 | 114.3 | Q101 K102 | S99-Q101 PolarHBondContact O-N 3.34Å; S99-Q101 VanDerWaalsContact O-N 3.08Å; S99-K102 PolarHBondContact O-N 3.37Å |
| 100 | S | 45.3 | Very low | 51.4 | Low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -70.7 | -9.3 | -165.7 | 59.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 101 | Q | 50.7 | Low | 52.7 | Low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -75.6 | -38.5 | 175.6 | -64.6 | -167.4 | -0.9 | 0 | 0 | 112.8 | S99 R104 | S99-Q101 PolarHBondContact O-N 3.34Å; S99-Q101 VanDerWaalsContact O-N 3.08Å; Q101-R104 PolarHBondContact O-N 3Å |
| 102 | K | 56.3 | Low | 54 | Low | 195 Ų | 195 | 129.2 Ų | 129.2 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -73.6 | -33.4 | -168.9 | -153.4 | 172.2 | -174.2 | 178.8 | 0 | 113.1 | S99 R104 G105 | S99-K102 PolarHBondContact O-N 3.37Å; K102-R104 PolarHBondContact O-N 3.09Å; K102-G105 PolarHBondContact O-N 3.47Å |
| 103 | A | 47.3 | Very low | 55.3 | Low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -66.6 | -16.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G105 | A103-G105 VanDerWaalsContact C-N 3.27Å; A103-G105 PolarHBondContact O-N 2.77Å |
| 104 | R | 53.1 | Low | 56.7 | Low | 213 Ų | 213 | 135.4 Ų | 135.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -80.4 | -4.1 | -179.4 | -163 | 172.5 | -77 | -133.1 | 0.2 | 113.4 | Q101 K102 | Q101-R104 PolarHBondContact O-N 3Å; K102-R104 PolarHBondContact O-N 3.09Å |
| 105 | G | 55.4 | Low | 58.3 | Low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -78.2 | -21.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | K102 A103 | K102-G105 PolarHBondContact O-N 3.47Å; A103-G105 VanDerWaalsContact C-N 3.27Å; A103-G105 PolarHBondContact O-N 2.77Å |
| 106 | I | 54.2 | Low | 59.8 | Low | 164 Ų | 164 | 132.4 Ų | 132.4 | 84% | 0.841 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -82.3 | -18.9 | -172.9 | -61.9 | 178.9 | 0 | 0 | 0 | 112.3 | A108 | I106-A108 PolarHBondContact O-N 2.85Š|
| 107 | L | 48.4 | Very low | 61.4 | Low | 146 Ų | 146 | 131.7 Ų | 131.7 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -87 | 89.2 | 168.8 | -144.5 | 78.1 | 0 | 0 | 0 | 109.4 | R109 | L107-R109 PolarHBondContact O-N 2.68Š|
| 108 | A | 57.2 | Low | 62.7 | Low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | trans | -66.5 | 74.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I106 R110 | I106-A108 PolarHBondContact O-N 2.85Å; A108-R110 PolarHBondContact O-N 3.33Å | ||
| 109 | R | 64.3 | Low | 63.9 | Low | 216 Ų | 216 | 131.3 Ų | 131.3 | 82% | 0.815 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 129.4 | 170.9 | -57.6 | -177.4 | 77.4 | -155 | 4.8 | 108 | L107 | L107-R109 PolarHBondContact O-N 2.68Š|
| 110 | R | 71.9 | Confident | 65.4 | Low | 222 Ų | 222 | 132.3 Ų | 132.3 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -46 | 136.1 | 175.4 | -70.5 | 179.3 | 68.8 | 169.9 | 2 | 109.8 | A108 S112 | A108-R110 PolarHBondContact O-N 3.33Å; R110-S112 PolarHBondContact O-N 3.21Å |
| 111 | P | 73.7 | Confident | 66.6 | Low | 71 Ų | 71 | 132.1 Ų | 132.1 | 46% | 0.461 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -48.3 | 137.9 | 174.1 | -29.2 | 36.1 | 0 | 0 | 0 | 110.9 | K115 I116 | P111-K115 HydrophobicContact CB-CB 4.38Å; P111-K115 HydrophobicContact CB-CD 4.31Å; P111-K115 HydrophobicContact CB-CG 4.4Å; P111-I116 HydrophobicContact CB-CD1 4.35Å; P111-I116 HydrophobicContact CB-CG1 3.82Å |
| 112 | S | 76.4 | Confident | 67.1 | Low | 78 Ų | 78 | 127.3 Ų | 127.3 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 149.4 | 177.4 | 61 | 0 | 0 | 0 | 0 | 109.8 | R110 R114 K115 I116 | R110-S112 PolarHBondContact O-N 3.21Å; S112-R114 PolarHBondContact O-N 2.97Å; S112-R114 VanDerWaalsContact O-N 3.08Å; S112-K115 WeakPolarHBondContact O-CA 3.37Å; S112-K115 WeakPolarHBondContact O-CB 3.28Å; S112-K115 PolarHBondContact O-N 3.08Å; S112-I116 PolarHBondContact O-N 3.08Å |
| 113 | Y | 74.9 | Confident | 67 | Low | 177 Ų | 177 | 124.2 Ų | 124.2 | 69% | 0.694 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -50.9 | -38.1 | -179.6 | 178.5 | -118.9 | 0 | 0 | 0 | 112.7 | K115 I116 L117 | Y113-K115 VanDerWaalsContact C-N 3.34Å; Y113-K115 PolarHBondContact O-N 3.02Å; Y113-I116 PolarHBondContact O-N 3.31Å; Y113-L117 HydrophobicContact CD1-CD1 3.91Å; Y113-L117 HydrophobicContact CD2-CG 4.44Å; Y113-L117 HydrophobicContact CE1-CD1 3.42Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.42Å; Y113-L117 HydrophobicContact CE1-CG 4.19Å; Y113-L117 HydrophobicContact CE2-CD1 4.17Å; Y113-L117 HydrophobicContact CE2-CD2 4.44Å; Y113-L117 HydrophobicContact CE2-CG 4.03Å; Y113-L117 HydrophobicContact CG-CD1 4.47Å; Y113-L117 WeakPolarHBondContact O-CB 3.45Å; Y113-L117 PolarHBondContact O-N 3.27Å |
| 114 | R | 78.1 | Confident | 67.2 | Low | 214 Ų | 214 | 126.8 Ų | 126.8 | 81% | 0.808 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.2 | -30.2 | 174.9 | -166.5 | 177.3 | -171.2 | 176.7 | 4.5 | 114 | S112 K118 | S112-R114 PolarHBondContact O-N 2.97Å; S112-R114 VanDerWaalsContact O-N 3.08Å; R114-K118 WeakPolarHBondContact O-CB 3.4Å; R114-K118 PolarHBondContact O-N 3.24Å |
| 115 | K | 79.9 | Confident | 67.2 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.1 | -49.3 | 171.1 | 179 | 170.3 | 175.2 | -177.3 | 0 | 110.3 | P111 S112 Y113 L117 K118 D119 | P111-K115 HydrophobicContact CB-CB 4.38Å; P111-K115 HydrophobicContact CB-CD 4.31Å; P111-K115 HydrophobicContact CB-CG 4.4Å; S112-K115 WeakPolarHBondContact O-CA 3.37Å; S112-K115 WeakPolarHBondContact O-CB 3.28Å; S112-K115 PolarHBondContact O-N 3.08Å; Y113-K115 VanDerWaalsContact C-N 3.34Å; Y113-K115 PolarHBondContact O-N 3.02Å; K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 3.08Å; K115-K118 WeakPolarHBondContact O-CA 3.41Å; K115-K118 PolarHBondContact O-N 3.28Å; K115-D119 WeakPolarHBondContact CE-OD2 3.17Å; K115-D119 VanDerWaalsContact CG-OD2 3.29Å; K115-D119 WeakPolarHBondContact CG-OD2 3.48Å; K115-D119 PolarHBondContact O-N 3.34Å |
| 116 | I | 79.5 | Confident | 67.2 | Low | 65 Ų | 65 | 128.2 Ų | 128.2 | 33% | 0.333 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -56.9 | -45.9 | 179.4 | -55.8 | 175.3 | 0 | 0 | 0 | 110.9 | P111 S112 Y113 K118 D119 L120 | P111-I116 HydrophobicContact CB-CD1 4.35Å; P111-I116 HydrophobicContact CB-CG1 3.82Å; S112-I116 PolarHBondContact O-N 3.08Å; Y113-I116 PolarHBondContact O-N 3.31Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.07Å; I116-D119 PolarHBondContact O-N 3.43Å; I116-L120 HydrophobicContact CG2-CD1 3.98Å; I116-L120 HydrophobicContact CG2-CG 4.44Å; I116-L120 WeakPolarHBondContact O-CB 3.06Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.79Å |
| 117 | L | 73.3 | Confident | 67 | Low | 83 Ų | 83 | 128.3 Ų | 128.3 | 44% | 0.435 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -58.8 | -40.6 | 173.5 | -82.7 | 175.5 | 0 | 0 | 0 | 113.1 | Y113 K115 S121 | Y113-L117 HydrophobicContact CD1-CD1 3.91Å; Y113-L117 HydrophobicContact CD2-CG 4.44Å; Y113-L117 HydrophobicContact CE1-CD1 3.42Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.42Å; Y113-L117 HydrophobicContact CE1-CG 4.19Å; Y113-L117 HydrophobicContact CE2-CD1 4.17Å; Y113-L117 HydrophobicContact CE2-CD2 4.44Å; Y113-L117 HydrophobicContact CE2-CG 4.03Å; Y113-L117 HydrophobicContact CG-CD1 4.47Å; Y113-L117 WeakPolarHBondContact O-CB 3.45Å; Y113-L117 PolarHBondContact O-N 3.27Å; K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 3.08Å; L117-S121 WeakPolarHBondContact O-CB 3.46Å; L117-S121 PolarHBondContact O-N 2.88Å; L117-S121 PolarHBondContact O-OG 3.33Å |
| 118 | K | 79.6 | Confident | 66.9 | Low | 146 Ų | 146 | 133.1 Ų | 133.1 | 64% | 0.635 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68 | -48.3 | 179.2 | -172.7 | -177 | 176.8 | -173.2 | 0 | 110.8 | R114 K115 I116 L120 S121 S122 | R114-K118 WeakPolarHBondContact O-CB 3.4Å; R114-K118 PolarHBondContact O-N 3.24Å; K115-K118 WeakPolarHBondContact O-CA 3.41Å; K115-K118 PolarHBondContact O-N 3.28Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.07Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 3.47Å; K118-S121 WeakPolarHBondContact CA-OG 3.41Å; K118-S121 PolarHBondContact O-N 2.98Å; K118-S121 VanDerWaalsContact O-N 3.09Å; K118-S121 PolarHBondContact O-OG 3Å; K118-S122 PolarHBondContact O-N 2.82Å; K118-S122 VanDerWaalsContact O-N 3.16Å; K118-S122 PolarHBondContact O-OG 3.01Å |
| 119 | D | 76.4 | Confident | 66.4 | Low | 64 Ų | 64 | 138.6 Ų | 138.6 | 34% | 0.342 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -59.2 | -48 | -178.7 | -59.2 | -10.9 | 0 | 0 | 0 | 109.4 | K115 I116 S121 S122 E123 | K115-D119 WeakPolarHBondContact CE-OD2 3.17Å; K115-D119 VanDerWaalsContact CG-OD2 3.29Å; K115-D119 WeakPolarHBondContact CG-OD2 3.48Å; K115-D119 PolarHBondContact O-N 3.34Å; I116-D119 PolarHBondContact O-N 3.43Å; D119-S121 PolarHBondContact O-N 2.96Å; D119-S122 PolarHBondContact O-N 3.03Å; D119-S122 PolarHBondContact O-OG 3.07Å; D119-E123 PolarHBondContact O-N 3.01Å |
| 120 | L | 76.7 | Confident | 65.1 | Low | 109 Ų | 109 | 131.5 Ų | 131.5 | 57% | 0.571 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -56.7 | -42.8 | 171.8 | -72 | 170.8 | 0 | 0 | 0 | 113 | I116 K118 S122 E123 | I116-L120 HydrophobicContact CG2-CD1 3.98Å; I116-L120 HydrophobicContact CG2-CG 4.44Å; I116-L120 WeakPolarHBondContact O-CB 3.06Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.79Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 3.47Å; L120-S122 PolarHBondContact O-N 3.26Å; L120-E123 PolarHBondContact O-N 3.46Å |
| 121 | S | 71.9 | Confident | 63.3 | Low | 86 Ų | 86 | 128.4 Ų | 128.4 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.2 | -10.8 | 178 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | L117 K118 D119 | L117-S121 WeakPolarHBondContact O-CB 3.46Å; L117-S121 PolarHBondContact O-N 2.88Å; L117-S121 PolarHBondContact O-OG 3.33Å; K118-S121 WeakPolarHBondContact CA-OG 3.41Å; K118-S121 PolarHBondContact O-N 2.98Å; K118-S121 VanDerWaalsContact O-N 3.09Å; K118-S121 PolarHBondContact O-OG 3Å; D119-S121 PolarHBondContact O-N 2.96Å |
| 122 | S | 61.2 | Low | 61.7 | Low | 63 Ų | 63 | 133 Ų | 133 | 44% | 0.441 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -100.1 | -29.2 | 170.5 | 39.5 | 0 | 0 | 0 | 0 | 113.7 | K118 D119 L120 D124 T125 | K118-S122 PolarHBondContact O-N 2.82Å; K118-S122 VanDerWaalsContact O-N 3.16Å; K118-S122 PolarHBondContact O-OG 3.01Å; D119-S122 PolarHBondContact O-N 3.03Å; D119-S122 PolarHBondContact O-OG 3.07Å; L120-S122 PolarHBondContact O-N 3.26Å; S122-D124 PolarHBondContact O-N 3.05Å; S122-T125 PolarHBondContact O-OG1 3.09Å |
| 123 | E | 53.1 | Low | 59.9 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.3 | -9.8 | -178.3 | -137.5 | 69.3 | -127.9 | 0 | 0 | 113.5 | D119 L120 T125 | D119-E123 PolarHBondContact O-N 3.01Å; L120-E123 PolarHBondContact O-N 3.46Å; E123-T125 PolarHBondContact O-N 3.4Å |
| 124 | D | 52.8 | Low | 58.2 | Low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 10.7 | 177.5 | -124 | -31 | 0 | 0 | 0 | 114.1 | S122 | S122-D124 PolarHBondContact O-N 3.05Š|
| 125 | T | 53.2 | Low | 56.7 | Low | 115 Ų | 115 | 129.5 Ų | 129.5 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 6.5 | -176.3 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | S122 E123 | S122-T125 PolarHBondContact O-OG1 3.09Å; E123-T125 PolarHBondContact O-N 3.4Å |
| 126 | R | 54.1 | Low | 54.8 | Low | 190 Ų | 190 | 127.5 Ų | 127.5 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -136.1 | 149.4 | 177.5 | -60.1 | -174.3 | -177.4 | -158.9 | -3.6 | 109.4 | ||
| 127 | D | 51 | Low | 52.9 | Low | 165 Ų | 165 | 130.7 Ų | 130.7 | 88% | 0.882 | 70% | 0.7 | S | S | * | * | trans | 59.2 | 61 | 173.2 | -53.6 | -36.4 | 0 | 0 | 0 | 117.2 | ||||
| 128 | R | 45.9 | Very low | 51.2 | Low | 248 Ų | 248 | 132 Ų | 132 | 94% | 0.936 | 72% | 0.716 | S | S | * | * | trans | -114 | 84.7 | 158.9 | -93.4 | -76.6 | -168.4 | 164.6 | 1.9 | 111.2 | ||||
| 129 | K | 46.6 | Very low | 49.4 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 92% | 0.922 | 72% | 0.72 | S | S | * | * | trans | -151.4 | 116.9 | 161.8 | -166.7 | 175.4 | -177.1 | -178.4 | 0 | 112.1 | ||||
| 130 | G | 35.8 | Very low | 47.7 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | 77.4 | 147.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 131 | D | 36 | Very low | 45.9 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | cis | -155.5 | -172.1 | -27.8 | -138.1 | -28.1 | 0 | 0 | 0 | 109.4 | ||||
| 132 | E | 40.2 | Very low | 44.3 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -34.2 | 152.6 | -172.1 | -70.3 | -171.6 | 105.7 | 0 | 0 | 122.6 | ||||
| 133 | E | 37.9 | Very low | 43.1 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 59.2 | 113.7 | 143.9 | -158.2 | 179.6 | 139 | 0 | 0 | 122.5 | ||||
| 134 | S | 39.3 | Very low | 42.8 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | 163.7 | 133.1 | 106.7 | -164.8 | 0 | 0 | 0 | 0 | 113.4 | G136 | S134-G136 PolarHBondContact O-N 2.6Š| |||
| 135 | P | 47.3 | Very low | 42.7 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -93.2 | 86.1 | -179.5 | 35.7 | -33.3 | 0 | 0 | 0 | 113.8 | ||||
| 136 | G | 38.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -75.2 | 120.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S134 S138 | S134-G136 PolarHBondContact O-N 2.6Å; G136-S138 PolarHBondContact O-N 2.96Å | ||
| 137 | V | 40.5 | Very low | 43 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -77.1 | 120.5 | -178.9 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | T139 | V137-T139 PolarHBondContact O-N 3.09Š| ||
| 138 | S | 37.9 | Very low | 43.4 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -73.5 | 88.4 | 174.2 | -67.7 | 0 | 0 | 0 | 0 | 112.7 | G136 V140 | G136-S138 PolarHBondContact O-N 2.96Å; S138-V140 PolarHBondContact O-N 2.88Å | ||
| 139 | T | 41 | Very low | 44.4 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | -69.3 | 97.6 | 171.1 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | V137 T141 | V137-T139 PolarHBondContact O-N 3.09Å; T139-T141 PolarHBondContact O-N 2.89Å; T139-T141 VanDerWaalsContact O-N 3.16Å | ||
| 140 | V | 41.6 | Very low | 45.2 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 78% | 0.782 | 70% | 0.701 | S | S | * | * | trans | -79.7 | 93.9 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | S138 S142 | S138-V140 PolarHBondContact O-N 2.88Å; V140-S142 PolarHBondContact O-N 3.3Å | ||
| 141 | T | 39.1 | Very low | 46.8 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 58% | 0.577 | 69% | 0.694 | S | S | * | * | trans | -67.8 | 103 | 171.5 | -54.3 | 0 | 0 | 0 | 0 | 110.1 | T139 M143 | T139-T141 PolarHBondContact O-N 2.89Å; T139-T141 VanDerWaalsContact O-N 3.16Å; T141-M143 HydrophobicContact CG2-CE 3.62Å; T141-M143 HydrophobicContact CG2-SD 4.07Å; T141-M143 PolarHBondContact O-N 2.98Å; T141-M143 VanDerWaalsContact O-N 3.08Å | ||
| 142 | S | 38.2 | Very low | 48.3 | Very low | 112 Ų | 112 | 112.2 Ų | 112.2 | 78% | 0.783 | 67% | 0.665 | S | S | * | * | trans | -70.7 | 101 | 176.1 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | V140 S144 | V140-S142 PolarHBondContact O-N 3.3Å; S142-S144 PolarHBondContact O-N 3.22Å | ||
| 143 | M | 34.6 | Very low | 48.8 | Very low | 148 Ų | 148 | 110.5 Ų | 110.5 | 73% | 0.729 | 67% | 0.672 | S | S | * | * | trans | -74.6 | 106.8 | 177.2 | -63 | -62 | 177 | 0 | 0 | 109.8 | T141 V145 | T141-M143 HydrophobicContact CG2-CE 3.62Å; T141-M143 HydrophobicContact CG2-SD 4.07Å; T141-M143 PolarHBondContact O-N 2.98Å; T141-M143 VanDerWaalsContact O-N 3.08Å; M143-V145 PolarHBondContact O-N 3.46Å | ||
| 144 | S | 47.2 | Very low | 50.1 | Low | 115 Ų | 115 | 106.8 Ų | 106.8 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 118.1 | 175.6 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | S142 | S142-S144 PolarHBondContact O-N 3.22Š|
| 145 | V | 50.3 | Low | 51.1 | Low | 122 Ų | 122 | 103 Ų | 103 | 74% | 0.739 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 124.9 | 177.2 | -178 | 0 | 0 | 0 | 0 | 108.5 | M143 T147 | M143-V145 PolarHBondContact O-N 3.46Å; V145-T147 PolarHBondContact O-N 2.97Å |
| 146 | P | 53.3 | Low | 52.1 | Low | 116 Ų | 116 | 100.2 Ų | 100.2 | 75% | 0.753 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.5 | 178.6 | 25.4 | -33.5 | 0 | 0 | 0 | 110.6 | ||
| 147 | T | 60 | Low | 53.1 | Low | 72 Ų | 72 | 102.1 Ų | 102.1 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -65 | 127.7 | 178 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | V145 I149 A161 | V145-T147 PolarHBondContact O-N 2.97Å; T147-I149 PolarHBondContact O-N 2.75Å; T147-A161 HydrophobicContact CG2-CB 4.1Å |
| 148 | P | 60.3 | Low | 54.3 | Low | 64 Ų | 64 | 97.7 Ų | 97.7 | 42% | 0.416 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 134.8 | 179.2 | 28.7 | -34.3 | 0 | 0 | 0 | 111 | Y150 | P148-Y150 HydrophobicContact CB-CE2 3.81Å; P148-Y150 HydrophobicContact CG-CE2 3.86Å |
| 149 | I | 66.2 | Low | 55.4 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 57% | 0.569 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.2 | 174.6 | -55.1 | 177.2 | 0 | 0 | 0 | 107.9 | T147 Y157 I158 A159 | T147-I149 PolarHBondContact O-N 2.75Å; I149-Y157 HydrophobicContact CG2-CD1 4.08Å; I149-I158 WeakPolarHBondContact CA-O 3.29Å; I149-A159 HydrophobicContact CG1-CB 4.33Å |
| 150 | Y | 64.9 | Low | 56.5 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.6 | 179.5 | -57 | -86.5 | 0 | 0 | 0 | 109.6 | P148 I158 I160 | P148-Y150 HydrophobicContact CB-CE2 3.81Å; P148-Y150 HydrophobicContact CG-CE2 3.86Å; Y150-I158 PolarHBondContact N-O 3.39Å; Y150-I158 PolarHBondContact O-N 3.08Å; Y150-I160 HydrophobicContact CD2-CD1 4.21Å; Y150-I160 HydrophobicContact CD2-CG1 4.39Å; Y150-I160 HydrophobicContact CE2-CD1 3.9Å; Y150-I160 HydrophobicContact CE2-CG1 4.28Å |
| 151 | Q | 67.8 | Low | 57.3 | Low | 117 Ų | 117 | 86.7 Ų | 86.7 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134 | 174.7 | -163.5 | 174.1 | 11.4 | 0 | 0 | 110.5 | G155 Q156 Y157 | Q151-G155 PolarHBondContact NE2-O 3.21Å; Q151-Q156 CarbonylContact C-O 3.59Å; Q151-Q156 WeakPolarHBondContact CA-O 2.96Å; Q151-Y157 HydrophobicContact CB-CD1 4.09Å; Q151-Y157 HydrophobicContact CB-CE1 4.02Å; Q151-Y157 VanDerWaalsContact CD-CE1 3.44Å; Q151-Y157 HydrophobicContact CG-CD1 4Å; Q151-Y157 HydrophobicContact CG-CE1 3.73Å; Q151-Y157 VanDerWaalsContact NE2-CZ 3.28Å; Q151-Y157 PolarHBondContact NE2-OH 2.75Å; Q151-Y157 VanDerWaalsContact NE2-OH 3.08Å |
| 152 | T | 67.8 | Low | 57.6 | Low | 37 Ų | 37 | 87.9 Ų | 87.9 | 23% | 0.227 | 52% | 0.52 | C | S | . | . | trans | -78.7 | 163.6 | 174.5 | 68 | 0 | 0 | 0 | 0 | 111.4 | T154 G155 Q156 I158 | T152-T154 PolarHBondContact O-N 3.48Å; T152-T154 VanDerWaalsContact O-N 3.14Å; T152-T154 PolarHBondContact OG1-N 2.86Å; T152-T154 PolarHBondContact OG1-OG1 3.02Å; T152-G155 PolarHBondContact O-N 3.15Å; T152-G155 PolarHBondContact OG1-N 3.41Å; T152-Q156 HydrophobicContact CG2-CB 4.14Å; T152-Q156 PolarHBondContact N-O 3.36Å; T152-Q156 WeakPolarHBondContact OG1-CB 3.29Å; T152-Q156 PolarHBondContact OG1-N 3.03Å; T152-I158 HydrophobicContact CG2-CD1 3.6Å; T152-I158 HydrophobicContact CG2-CG1 4.15Å | ||
| 153 | S | 50.3 | Low | 58.3 | Low | 133 Ų | 133 | 87.1 Ų | 87.1 | 93% | 0.93 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12.3 | 167.7 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 154 | T | 65.9 | Low | 59.3 | Low | 96 Ų | 96 | 81.1 Ų | 81.1 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 8.1 | 172.4 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | T152 Q156 | T152-T154 PolarHBondContact O-N 3.48Å; T152-T154 VanDerWaalsContact O-N 3.14Å; T152-T154 PolarHBondContact OG1-N 2.86Å; T152-T154 PolarHBondContact OG1-OG1 3.02Å; T154-Q156 VanDerWaalsContact C-N 3.3Å; T154-Q156 PolarHBondContact O-N 2.98Å |
| 155 | G | 61.5 | Low | 59.6 | Low | 20 Ų | 20 | 79.5 Ų | 79.5 | 21% | 0.206 | 47% | 0.465 | C | S | . | . | S | Bend | trans | 79.4 | 2.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q151 T152 | Q151-G155 PolarHBondContact NE2-O 3.21Å; T152-G155 PolarHBondContact O-N 3.15Å; T152-G155 PolarHBondContact OG1-N 3.41Å |
| 156 | Q | 66.9 | Low | 59.9 | Low | 62 Ų | 62 | 77.1 Ų | 77.1 | 29% | 0.29 | 45% | 0.446 | S | S | . | . | trans | -75 | 144.4 | 177.7 | -59.7 | 168.1 | 11.1 | 0 | 0 | 110.4 | Q151 T152 T154 | Q151-Q156 CarbonylContact C-O 3.59Å; Q151-Q156 WeakPolarHBondContact CA-O 2.96Å; T152-Q156 HydrophobicContact CG2-CB 4.14Å; T152-Q156 PolarHBondContact N-O 3.36Å; T152-Q156 WeakPolarHBondContact OG1-CB 3.29Å; T152-Q156 PolarHBondContact OG1-N 3.03Å; T154-Q156 VanDerWaalsContact C-N 3.3Å; T154-Q156 PolarHBondContact O-N 2.98Å | ||
| 157 | Y | 61 | Low | 60.1 | Low | 110 Ų | 110 | 74.6 Ų | 74.6 | 43% | 0.431 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.9 | 176.6 | -65 | -81.1 | 0 | 0 | 0 | 110.6 | I149 Q151 A168 | I149-Y157 HydrophobicContact CG2-CD1 4.08Å; Q151-Y157 HydrophobicContact CB-CD1 4.09Å; Q151-Y157 HydrophobicContact CB-CE1 4.02Å; Q151-Y157 VanDerWaalsContact CD-CE1 3.44Å; Q151-Y157 HydrophobicContact CG-CD1 4Å; Q151-Y157 HydrophobicContact CG-CE1 3.73Å; Q151-Y157 VanDerWaalsContact NE2-CZ 3.28Å; Q151-Y157 PolarHBondContact NE2-OH 2.75Å; Q151-Y157 VanDerWaalsContact NE2-OH 3.08Å; Y157-A168 PolarHBondContact N-O 2.93Å; Y157-A168 PolarHBondContact O-N 2.85Å |
| 158 | I | 65.4 | Low | 59.7 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.5 | -178.2 | -56.8 | 179.4 | 0 | 0 | 0 | 108.2 | I149 Y150 T152 I160 L165 Q166 L167 | I149-I158 WeakPolarHBondContact CA-O 3.29Å; Y150-I158 PolarHBondContact N-O 3.39Å; Y150-I158 PolarHBondContact O-N 3.08Å; T152-I158 HydrophobicContact CG2-CD1 3.6Å; T152-I158 HydrophobicContact CG2-CG1 4.15Å; I158-I160 HydrophobicContact CG2-CG1 4.37Å; I158-L165 HydrophobicContact CG2-CD2 3.37Å; I158-Q166 WeakPolarHBondContact CA-O 3.24Å; I158-L167 HydrophobicContact CB-CD1 4.45Å; I158-L167 HydrophobicContact CD1-CD1 4.33Å; I158-L167 HydrophobicContact CG1-CD1 3.86Å; I158-L167 HydrophobicContact CG1-CG 4.26Å; I158-L167 HydrophobicContact CG2-CD1 4.14Å |
| 159 | A | 60.1 | Low | 59.1 | Low | 19 Ų | 19 | 74.5 Ų | 74.5 | 16% | 0.157 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I149 Q166 | I149-A159 HydrophobicContact CG1-CB 4.33Å; A159-Q166 HydrophobicContact CB-CB 4.41Å; A159-Q166 PolarHBondContact N-O 2.87Å; A159-Q166 PolarHBondContact O-N 2.9Å |
| 160 | I | 63.3 | Low | 57.8 | Low | 87 Ų | 87 | 73.7 Ų | 73.7 | 45% | 0.446 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 100.9 | 173.8 | -52.8 | -179.4 | 0 | 0 | 0 | 107.6 | Y150 I158 L165 | Y150-I160 HydrophobicContact CD2-CD1 4.21Å; Y150-I160 HydrophobicContact CD2-CG1 4.39Å; Y150-I160 HydrophobicContact CE2-CD1 3.9Å; Y150-I160 HydrophobicContact CE2-CG1 4.28Å; I158-I160 HydrophobicContact CG2-CG1 4.37Å; I160-L165 HydrophobicContact CG1-CD2 3.93Å |
| 161 | A | 58.6 | Low | 56.8 | Low | 21 Ų | 21 | 71.1 Ų | 71.1 | 17% | 0.174 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 159.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | T147 N163 G164 | T147-A161 HydrophobicContact CG2-CB 4.1Å; A161-N163 WeakPolarHBondContact CB-OD1 3.28Å; A161-N163 PolarHBondContact O-N 3.03Å; A161-G164 PolarHBondContact N-O 2.81Å; A161-G164 PolarHBondContact O-N 3.47Å; A161-G164 VanDerWaalsContact O-O 3.11Å |
| 162 | A | 47 | Very low | 55.4 | Low | 120 Ų | 120 | 72.1 Ų | 72.1 | 99% | 0.992 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 163 | N | 51.7 | Low | 54.2 | Low | 95 Ų | 95 | 78.3 Ų | 78.3 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -2.2 | 176.2 | 63 | -16.6 | 0 | 0 | 0 | 114.3 | A161 T182 | A161-N163 WeakPolarHBondContact CB-OD1 3.28Å; A161-N163 PolarHBondContact O-N 3.03Å; N163-T182 WeakPolarHBondContact O-CG2 3.46Å; N163-T182 PolarHBondContact O-OG1 3.39Å |
| 164 | G | 56.2 | Low | 53.4 | Low | 23 Ų | 23 | 75.6 Ų | 75.6 | 24% | 0.237 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154 | -175.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | A161 | A161-G164 PolarHBondContact N-O 2.81Å; A161-G164 PolarHBondContact O-N 3.47Å; A161-G164 VanDerWaalsContact O-O 3.11Å |
| 165 | L | 52.7 | Low | 52.4 | Low | 80 Ų | 80 | 78.3 Ų | 78.3 | 42% | 0.419 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125 | 175.3 | -109 | 165.7 | 0 | 0 | 0 | 109.3 | I158 I160 | I158-L165 HydrophobicContact CG2-CD2 3.37Å; I160-L165 HydrophobicContact CG1-CD2 3.93Å |
| 166 | Q | 57.1 | Low | 51.4 | Low | 73 Ų | 73 | 83.9 Ų | 83.9 | 34% | 0.341 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125 | 174.7 | -62.6 | 177.2 | 32.9 | 0 | 0 | 109.3 | I158 A159 | I158-Q166 WeakPolarHBondContact CA-O 3.24Å; A159-Q166 HydrophobicContact CB-CB 4.41Å; A159-Q166 PolarHBondContact N-O 2.87Å; A159-Q166 PolarHBondContact O-N 2.9Å |
| 167 | L | 57.6 | Low | 50.2 | Low | 63 Ų | 63 | 83.3 Ų | 83.3 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.1 | 170.8 | -106.5 | 68.5 | 0 | 0 | 0 | 109.4 | I158 | I158-L167 HydrophobicContact CB-CD1 4.45Å; I158-L167 HydrophobicContact CD1-CD1 4.33Å; I158-L167 HydrophobicContact CG1-CD1 3.86Å; I158-L167 HydrophobicContact CG1-CG 4.26Å; I158-L167 HydrophobicContact CG2-CD1 4.14Å |
| 168 | A | 51.6 | Low | 49.3 | Very low | 47 Ų | 47 | 84.8 Ų | 84.8 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y157 | Y157-A168 PolarHBondContact N-O 2.93Å; Y157-A168 PolarHBondContact O-N 2.85Å |
| 169 | S | 47.7 | Very low | 48.6 | Very low | 86 Ų | 86 | 86.2 Ų | 86.2 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | trans | -92.8 | 138.1 | 176.1 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | G171 | S169-G171 PolarHBondContact O-N 2.82Å; S169-G171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | P | 38.5 | Very low | 47.7 | Very low | 95 Ų | 95 | 88.7 Ų | 88.7 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | trans | -76.3 | 95.3 | 173.2 | 30.7 | -33.2 | 0 | 0 | 0 | 110.5 | ||||
| 171 | G | 44 | Very low | 47.2 | Very low | 71 Ų | 71 | 86.2 Ų | 86.2 | 73% | 0.732 | 55% | 0.554 | S | S | * | * | trans | -123 | 133.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | S169 | S169-G171 PolarHBondContact O-N 2.82Å; S169-G171 VanDerWaalsContact O-N 3.09Å | ||
| 172 | T | 39.4 | Very low | 46.3 | Very low | 137 Ų | 137 | 87.2 Ų | 87.2 | 84% | 0.84 | 56% | 0.558 | S | S | * | * | trans | -82.9 | 133.1 | 177.2 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 173 | D | 40.8 | Very low | 45.9 | Very low | 168 Ų | 168 | 88.1 Ų | 88.1 | 90% | 0.898 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 50.8 | 118.4 | 169.8 | -65.1 | -37.1 | 0 | 0 | 0 | 118.2 | ||
| 174 | G | 35.2 | Very low | 45.3 | Very low | 75 Ų | 75 | 89.1 Ų | 89.1 | 77% | 0.773 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 114.7 | 122.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q176 | G174-Q176 PolarHBondContact O-N 3.39Š|
| 175 | V | 44.9 | Very low | 44.5 | Very low | 154 Ų | 154 | 94.4 Ų | 94.4 | 93% | 0.933 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -60.1 | 99.7 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 176 | Q | 40.5 | Very low | 43.6 | Very low | 136 Ų | 136 | 95.6 Ų | 95.6 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -159.5 | 155.6 | 156 | -88.5 | -57.8 | 4.8 | 0 | 0 | 110.5 | G174 | G174-Q176 PolarHBondContact O-N 3.39Š| ||
| 177 | G | 41.7 | Very low | 42.8 | Very low | 51 Ų | 51 | 95 Ų | 95 | 53% | 0.526 | 61% | 0.61 | S | S | . | * | trans | 99.4 | 14.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q179 | G177-Q179 VanDerWaalsContact C-N 3.34Å; G177-Q179 PolarHBondContact O-N 3.23Å | ||
| 178 | L | 41.5 | Very low | 41.9 | Very low | 140 Ų | 140 | 94.9 Ų | 94.9 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -76.3 | 83.1 | 169.6 | -166.2 | 78.5 | 0 | 0 | 0 | 110.8 | T180 | L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.36Å | ||
| 179 | Q | 50.1 | Low | 41.1 | Very low | 69 Ų | 69 | 100 Ų | 100 | 32% | 0.322 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 74.7 | -173.9 | -165.4 | 147.8 | 109.4 | 0 | 0 | 112.4 | G177 L181 Y198 | G177-Q179 VanDerWaalsContact C-N 3.34Å; G177-Q179 PolarHBondContact O-N 3.23Å; Q179-L181 HydrophobicContact CG-CG 4.42Å; Q179-L181 PolarHBondContact O-N 3.41Å; Q179-Y198 PolarHBondContact NE2-O 2.98Å |
| 180 | T | 41.1 | Very low | 40.8 | Very low | 72 Ų | 72 | 104 Ų | 104 | 44% | 0.442 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.5 | 113.7 | 172.8 | -71.7 | 0 | 0 | 0 | 0 | 111.1 | L178 | L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.36Å |
| 181 | L | 53.1 | Low | 40.8 | Very low | 35 Ų | 35 | 106.1 Ų | 106.1 | 18% | 0.183 | 67% | 0.674 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 77.3 | 179.4 | -67.5 | 158.4 | 0 | 0 | 0 | 109.8 | Q179 I195 L196 | Q179-L181 HydrophobicContact CG-CG 4.42Å; Q179-L181 PolarHBondContact O-N 3.41Å; L181-I195 HydrophobicContact CD2-CG2 3.92Å; L181-L196 VanDerWaalsContact CD2-O 3.29Å; L181-L196 WeakPolarHBondContact CD2-O 3.4Å |
| 182 | T | 40.9 | Very low | 40.8 | Very low | 42 Ų | 42 | 105.9 Ų | 105.9 | 26% | 0.258 | 67% | 0.672 | S | S | . | * | trans | -144.3 | 122.9 | -177.9 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | N163 | N163-T182 WeakPolarHBondContact O-CG2 3.46Å; N163-T182 PolarHBondContact O-OG1 3.39Å | ||
| 183 | M | 38.6 | Very low | 41 | Very low | 139 Ų | 139 | 105.5 Ų | 105.5 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | trans | -144.7 | 111.1 | 154.2 | -88.6 | -65.7 | 106.7 | 0 | 0 | 109.3 | L196 | M183-L196 HydrophobicContact CG-CD1 4.44Š| ||
| 184 | T | 37.8 | Very low | 41.1 | Very low | 115 Ų | 115 | 101.7 Ų | 101.7 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | trans | -90 | 111.3 | 172.8 | -63.6 | 0 | 0 | 0 | 0 | 109.2 | A186 | T184-A186 PolarHBondContact O-N 3.5Š| ||
| 185 | N | 39 | Very low | 41.7 | Very low | 134 Ų | 134 | 102.3 Ų | 102.3 | 72% | 0.717 | 64% | 0.637 | S | S | * | * | trans | -75 | 95.6 | 172.5 | -176.8 | 38.3 | 0 | 0 | 0 | 110.6 | G187 | N185-G187 PolarHBondContact O-N 2.85Š| ||
| 186 | A | 35.6 | Very low | 41.8 | Very low | 105 Ų | 105 | 97.9 Ų | 97.9 | 87% | 0.868 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -74.6 | 61.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T184 | T184-A186 PolarHBondContact O-N 3.5Š|
| 187 | G | 39.4 | Very low | 42.1 | Very low | 61 Ų | 61 | 95.6 Ų | 95.6 | 63% | 0.629 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -169.7 | 39.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.8 | N185 | N185-G187 PolarHBondContact O-N 2.85Š|
| 188 | G | 38.7 | Very low | 42.5 | Very low | 60 Ų | 60 | 97.8 Ų | 97.8 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 175 | 147.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q190 | G188-Q190 PolarHBondContact O-N 2.93Å; G188-Q190 VanDerWaalsContact O-N 3.08Å |
| 189 | T | 35.2 | Very low | 42.7 | Very low | 155 Ų | 155 | 93.3 Ų | 93.3 | 95% | 0.951 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -84.3 | 39 | -173.7 | 45 | 0 | 0 | 0 | 0 | 114.3 | ||
| 190 | Q | 40.8 | Very low | 42.3 | Very low | 170 Ų | 170 | 94.2 Ų | 94.2 | 79% | 0.794 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -142.2 | 132.1 | 172.3 | -65.9 | -165.9 | 31.4 | 0 | 0 | 112.5 | G188 G192 | G188-Q190 PolarHBondContact O-N 2.93Å; G188-Q190 VanDerWaalsContact O-N 3.08Å; Q190-G192 VanDerWaalsContact C-N 3.34Å; Q190-G192 PolarHBondContact O-N 3.27Å |
| 191 | P | 39 | Very low | 42.8 | Very low | 140 Ų | 140 | 92.8 Ų | 92.8 | 91% | 0.909 | 57% | 0.568 | S | S | * | * | trans | -81.5 | 75.7 | 176.6 | 34 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 192 | G | 44.2 | Very low | 42.5 | Very low | 66 Ų | 66 | 97.2 Ų | 97.2 | 68% | 0.68 | 60% | 0.602 | S | S | * | * | trans | -97.9 | 119 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q190 T194 | Q190-G192 VanDerWaalsContact C-N 3.34Å; Q190-G192 PolarHBondContact O-N 3.27Å; G192-T194 PolarHBondContact O-N 3.02Å | ||
| 193 | T | 42.8 | Very low | 42.7 | Very low | 129 Ų | 129 | 100.6 Ų | 100.6 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | trans | -88.5 | 100.4 | 177.2 | 53 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 194 | T | 42.6 | Very low | 43.4 | Very low | 88 Ų | 88 | 96.2 Ų | 96.2 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | trans | -79.2 | 133 | 169.1 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | G192 | G192-T194 PolarHBondContact O-N 3.02Š| ||
| 195 | I | 47.8 | Very low | 43.8 | Very low | 88 Ų | 88 | 97.1 Ų | 97.1 | 45% | 0.451 | 61% | 0.606 | S | S | . | * | trans | -114.1 | 116.8 | -177.5 | -57.5 | 179.3 | 0 | 0 | 0 | 108.7 | L181 S211 | L181-I195 HydrophobicContact CD2-CG2 3.92Å; I195-S211 WeakPolarHBondContact O-CB 3.46Å; I195-S211 PolarHBondContact O-OG 2.88Å | ||
| 196 | L | 46.8 | Very low | 44.1 | Very low | 61 Ų | 61 | 96.8 Ų | 96.8 | 32% | 0.319 | 60% | 0.6 | S | S | . | * | trans | -100.3 | 101.8 | 177.8 | -66.1 | 173.7 | 0 | 0 | 0 | 109.4 | L181 M183 Y198 L208 | L181-L196 VanDerWaalsContact CD2-O 3.29Å; L181-L196 WeakPolarHBondContact CD2-O 3.4Å; M183-L196 HydrophobicContact CG-CD1 4.44Å; L196-Y198 HydrophobicContact CB-CE2 4.21Å; L196-L208 HydrophobicContact CD2-CD1 4.44Å | ||
| 197 | Q | 47.6 | Very low | 44.9 | Very low | 87 Ų | 87 | 96.1 Ų | 96.1 | 41% | 0.407 | 58% | 0.581 | S | S | . | * | trans | -84.5 | 118.5 | 177.6 | -156.5 | 81 | 52.1 | 0 | 0 | 110 | ||||
| 198 | Y | 49.8 | Very low | 45.4 | Very low | 98 Ų | 98 | 98.4 Ų | 98.4 | 38% | 0.384 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 108 | 172 | -69 | -91.8 | 0 | 0 | 0 | 109.4 | Q179 L196 L208 | Q179-Y198 PolarHBondContact NE2-O 2.98Å; L196-Y198 HydrophobicContact CB-CE2 4.21Å; Y198-L208 HydrophobicContact CE1-CD1 4.1Å |
| 199 | A | 46.8 | Very low | 46 | Very low | 46 Ų | 46 | 96.3 Ų | 96.3 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | I207 V209 | A199-I207 PolarHBondContact N-O 3.27Å; A199-I207 PolarHBondContact O-N 3.4Å; A199-V209 HydrophobicContact CB-CG2 4.12Å |
| 200 | Q | 41.7 | Very low | 46.7 | Very low | 88 Ų | 88 | 92.9 Ų | 92.9 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.7 | 173.1 | 179.6 | 168.4 | -16.4 | 0 | 0 | 108.8 | ||
| 201 | T | 50.6 | Low | 47.3 | Very low | 41 Ų | 41 | 87.6 Ų | 87.6 | 25% | 0.252 | 52% | 0.515 | S | S | . | . | trans | -77.3 | 163.9 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 111 | D203 G204 Q205 I207 | T201-D203 VanDerWaalsContact CB-OD2 3.28Å; T201-D203 WeakPolarHBondContact CB-OD2 3.46Å; T201-D203 PolarHBondContact O-N 3.3Å; T201-D203 PolarHBondContact OG1-OD2 3.2Å; T201-G204 PolarHBondContact O-N 2.74Å; T201-G204 VanDerWaalsContact O-N 3.09Å; T201-Q205 PolarHBondContact N-O 2.85Å; T201-Q205 PolarHBondContact OG1-N 2.85Å; T201-Q205 PolarHBondContact OG1-O 3.14Å; T201-I207 HydrophobicContact CG2-CD1 3.82Å; T201-I207 HydrophobicContact CG2-CG1 4.37Å | ||
| 202 | S | 46.4 | Very low | 48.2 | Very low | 129 Ų | 129 | 84.1 Ų | 84.1 | 90% | 0.902 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -26.5 | 172.7 | 31 | 0 | 0 | 0 | 0 | 114.4 | ||
| 203 | D | 46.2 | Very low | 48.3 | Very low | 112 Ų | 112 | 84.7 Ų | 84.7 | 60% | 0.599 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 9.8 | -171.6 | 28.8 | -71 | 0 | 0 | 0 | 112.2 | T201 Q205 | T201-D203 VanDerWaalsContact CB-OD2 3.28Å; T201-D203 WeakPolarHBondContact CB-OD2 3.46Å; T201-D203 PolarHBondContact O-N 3.3Å; T201-D203 PolarHBondContact OG1-OD2 3.2Å; D203-Q205 VanDerWaalsContact C-N 3.26Å; D203-Q205 PolarHBondContact O-N 3.14Å |
| 204 | G | 53.1 | Low | 48.9 | Very low | 48 Ų | 48 | 81.7 Ų | 81.7 | 50% | 0.495 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 80.5 | -3.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T201 | T201-G204 PolarHBondContact O-N 2.74Å; T201-G204 VanDerWaalsContact O-N 3.09Å |
| 205 | Q | 46.4 | Very low | 49.4 | Very low | 133 Ų | 133 | 80.8 Ų | 80.8 | 62% | 0.621 | 45% | 0.45 | S | S | * | . | trans | -72.3 | 137.6 | 174.4 | -63.5 | -76 | 11.7 | 0 | 0 | 110.3 | T201 D203 | T201-Q205 PolarHBondContact N-O 2.85Å; T201-Q205 PolarHBondContact OG1-N 2.85Å; T201-Q205 PolarHBondContact OG1-O 3.14Å; D203-Q205 VanDerWaalsContact C-N 3.26Å; D203-Q205 PolarHBondContact O-N 3.14Å | ||
| 206 | Q | 44.9 | Very low | 49.6 | Very low | 127 Ų | 127 | 79.8 Ų | 79.8 | 59% | 0.593 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 110.5 | 173 | -67.1 | -174.2 | -1.9 | 0 | 0 | 109.7 | ||
| 207 | I | 51.8 | Low | 49.4 | Very low | 92 Ų | 92 | 82.7 Ų | 82.7 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.7 | 175.4 | -64.2 | -179.3 | 0 | 0 | 0 | 109.1 | A199 T201 V209 | A199-I207 PolarHBondContact N-O 3.27Å; A199-I207 PolarHBondContact O-N 3.4Å; T201-I207 HydrophobicContact CG2-CD1 3.82Å; T201-I207 HydrophobicContact CG2-CG1 4.37Å; I207-V209 HydrophobicContact CG2-CG2 4.24Å; I207-V209 PolarHBondContact O-N 3.23Å |
| 208 | L | 50.4 | Low | 49.3 | Very low | 108 Ų | 108 | 81.6 Ų | 81.6 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 100.4 | 173.5 | -179.4 | 64.4 | 0 | 0 | 0 | 109.5 | L196 Y198 | L196-L208 HydrophobicContact CD2-CD1 4.44Å; Y198-L208 HydrophobicContact CE1-CD1 4.1Å |
| 209 | V | 51.9 | Low | 48.9 | Very low | 17 Ų | 17 | 82.7 Ų | 82.7 | 10% | 0.103 | 49% | 0.488 | C | S | . | . | trans | -83.3 | 127.3 | 179.9 | -171 | 0 | 0 | 0 | 0 | 109.9 | A199 I207 S211 Q213 | A199-V209 HydrophobicContact CB-CG2 4.12Å; I207-V209 HydrophobicContact CG2-CG2 4.24Å; I207-V209 PolarHBondContact O-N 3.23Å; V209-S211 PolarHBondContact O-N 3.33Å; V209-Q213 HydrophobicContact CG1-CB 4.43Å; V209-Q213 VanDerWaalsContact CG1-O 3.24Å; V209-Q213 WeakPolarHBondContact CG1-O 3.47Å | ||
| 210 | P | 49.1 | Very low | 48.9 | Very low | 83 Ų | 83 | 84.5 Ų | 84.5 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | trans | -58.4 | 135.6 | 175.9 | -26.3 | 35.7 | 0 | 0 | 0 | 112.4 | N212 Q213 | P210-N212 PolarHBondContact O-N 3.33Å; P210-Q213 PolarHBondContact O-N 3.08Å | ||
| 211 | S | 53.8 | Low | 49.3 | Very low | 58 Ų | 58 | 82.3 Ų | 82.3 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -1.7 | -168.5 | -179.7 | 0 | 0 | 0 | 0 | 117.2 | I195 V209 | I195-S211 WeakPolarHBondContact O-CB 3.46Å; I195-S211 PolarHBondContact O-OG 2.88Å; V209-S211 PolarHBondContact O-N 3.33Å |
| 212 | N | 56.8 | Low | 49 | Very low | 67 Ų | 67 | 85 Ų | 85 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 1.4 | 176 | 70.3 | -15.9 | 0 | 0 | 0 | 114.4 | P210 Q227 I228 | P210-N212 PolarHBondContact O-N 3.33Å; N212-Q227 PolarHBondContact ND2-NE2 2.79Å; N212-Q227 CarbonylContact O-C 3.48Å; N212-Q227 VanDerWaalsContact O-CA 3.27Å; N212-Q227 WeakPolarHBondContact O-CA 3.35Å; N212-Q227 WeakPolarHBondContact O-CG 3.46Å; N212-I228 PolarHBondContact O-N 3.25Å |
| 213 | Q | 47.6 | Very low | 49.1 | Very low | 79 Ų | 79 | 85.3 Ų | 85.3 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.3 | 177.7 | -66.1 | -173.1 | 33.4 | 0 | 0 | 111.6 | V209 P210 T225 | V209-Q213 HydrophobicContact CG1-CB 4.43Å; V209-Q213 VanDerWaalsContact CG1-O 3.24Å; V209-Q213 WeakPolarHBondContact CG1-O 3.47Å; P210-Q213 PolarHBondContact O-N 3.08Å; Q213-T225 PolarHBondContact OE1-OG1 3.23Å |
| 214 | V | 54 | Low | 49.1 | Very low | 65 Ų | 65 | 84.6 Ų | 84.6 | 39% | 0.394 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.9 | 170 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | V216 Y226 I228 | V214-V216 HydrophobicContact CG1-CG2 4.06Å; V214-Y226 PolarHBondContact N-O 2.54Å; V214-Y226 PolarHBondContact O-N 3.19Å; V214-I228 HydrophobicContact CG2-CD1 3.68Å; V214-I228 HydrophobicContact CG2-CG1 3.74Å |
| 215 | V | 53.5 | Low | 48.9 | Very low | 69 Ų | 69 | 86.1 Ų | 86.1 | 42% | 0.418 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.2 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | M223 Q224 | V215-M223 HydrophobicContact CG1-CB 4.06Å; V215-M223 HydrophobicContact CG1-CG 4.28Å; V215-M223 HydrophobicContact CG1-SD 4.44Å; V215-Q224 WeakPolarHBondContact CA-O 3.2Å |
| 216 | V | 52.6 | Low | 48.8 | Very low | 67 Ų | 67 | 86 Ų | 86 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.3 | 171 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | V214 Q224 Y226 | V214-V216 HydrophobicContact CG1-CG2 4.06Å; V216-Q224 PolarHBondContact N-O 2.99Å; V216-Q224 PolarHBondContact O-N 2.91Å; V216-Y226 HydrophobicContact CB-CD2 4.24Å; V216-Y226 HydrophobicContact CB-CE2 4.04Å; V216-Y226 HydrophobicContact CG2-CD2 3.88Å; V216-Y226 HydrophobicContact CG2-CE2 4.07Å |
| 217 | Q | 42.7 | Very low | 48.8 | Very low | 123 Ų | 123 | 86.5 Ų | 86.5 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.8 | 174.6 | -164.5 | 151.8 | 26.7 | 0 | 0 | 109.7 | G221 D222 M223 | Q217-G221 PolarHBondContact NE2-O 3.14Å; Q217-D222 WeakPolarHBondContact CA-O 3.27Å; Q217-M223 HydrophobicContact CG-CG 4.15Å |
| 218 | T | 46 | Very low | 48.7 | Very low | 63 Ų | 63 | 86.1 Ų | 86.1 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | trans | -83.4 | 161.5 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | S220 G221 D222 | T218-S220 PolarHBondContact O-N 2.98Å; T218-S220 PolarHBondContact OG1-OG 3.35Å; T218-G221 PolarHBondContact O-N 3.18Å; T218-D222 PolarHBondContact N-O 3.41Å; T218-D222 PolarHBondContact OG1-O 3.27Å | ||
| 219 | A | 40.6 | Very low | 48.3 | Very low | 121 Ų | 121 | 92 Ų | 92 | 100% | 1 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -6.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 220 | S | 47.2 | Very low | 47.9 | Very low | 84 Ų | 84 | 96.3 Ų | 96.3 | 59% | 0.587 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.7 | 169.1 | 51 | 0 | 0 | 0 | 0 | 114.1 | T218 D222 | T218-S220 PolarHBondContact O-N 2.98Å; T218-S220 PolarHBondContact OG1-OG 3.35Å; S220-D222 WeakPolarHBondContact CB-OD2 3.33Å; S220-D222 PolarHBondContact OG-OD2 3.09Å |
| 221 | G | 50.4 | Low | 47.3 | Very low | 43 Ų | 43 | 97.6 Ų | 97.6 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 92.9 | -11.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q217 T218 M223 | Q217-G221 PolarHBondContact NE2-O 3.14Å; T218-G221 PolarHBondContact O-N 3.18Å; G221-M223 PolarHBondContact O-N 2.78Å |
| 222 | D | 43.9 | Very low | 46.8 | Very low | 96 Ų | 96 | 100 Ų | 100 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | trans | -66.8 | 132.4 | 179.9 | -54.5 | -71.6 | 0 | 0 | 0 | 111.9 | Q217 T218 S220 | Q217-D222 WeakPolarHBondContact CA-O 3.27Å; T218-D222 PolarHBondContact N-O 3.41Å; T218-D222 PolarHBondContact OG1-O 3.27Å; S220-D222 WeakPolarHBondContact CB-OD2 3.33Å; S220-D222 PolarHBondContact OG-OD2 3.09Å | ||
| 223 | M | 47.4 | Very low | 46 | Very low | 137 Ų | 137 | 103.4 Ų | 103.4 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 111.2 | 175.6 | -67.9 | -173.4 | -70.7 | 0 | 0 | 110.6 | V215 Q217 G221 | V215-M223 HydrophobicContact CG1-CB 4.06Å; V215-M223 HydrophobicContact CG1-CG 4.28Å; V215-M223 HydrophobicContact CG1-SD 4.44Å; Q217-M223 HydrophobicContact CG-CG 4.15Å; G221-M223 PolarHBondContact O-N 2.78Å |
| 224 | Q | 47.4 | Very low | 45.5 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 45% | 0.453 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.6 | 172.2 | -67 | -74.1 | -15.3 | 0 | 0 | 109.5 | V215 V216 Y226 | V215-Q224 WeakPolarHBondContact CA-O 3.2Å; V216-Q224 PolarHBondContact N-O 2.99Å; V216-Q224 PolarHBondContact O-N 2.91Å; Q224-Y226 HydrophobicContact CB-CD2 4.27Å; Q224-Y226 HydrophobicContact CB-CE2 3.49Å; Q224-Y226 VanDerWaalsContact CB-CE2 3.49Å; Q224-Y226 HydrophobicContact CG-CE2 4.48Å |
| 225 | T | 48 | Very low | 45 | Very low | 79 Ų | 79 | 108.7 Ų | 108.7 | 49% | 0.485 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.8 | 172.7 | -177.5 | 0 | 0 | 0 | 0 | 111 | Q213 | Q213-T225 PolarHBondContact OE1-OG1 3.23Å |
| 226 | Y | 44.7 | Very low | 44.4 | Very low | 130 Ų | 130 | 110 Ų | 110 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.4 | 179.2 | -64.8 | -77.2 | 0 | 0 | 0 | 110.1 | V214 V216 Q224 | V214-Y226 PolarHBondContact N-O 2.54Å; V214-Y226 PolarHBondContact O-N 3.19Å; V216-Y226 HydrophobicContact CB-CD2 4.24Å; V216-Y226 HydrophobicContact CB-CE2 4.04Å; V216-Y226 HydrophobicContact CG2-CD2 3.88Å; V216-Y226 HydrophobicContact CG2-CE2 4.07Å; Q224-Y226 HydrophobicContact CB-CD2 4.27Å; Q224-Y226 HydrophobicContact CB-CE2 3.49Å; Q224-Y226 VanDerWaalsContact CB-CE2 3.49Å; Q224-Y226 HydrophobicContact CG-CE2 4.48Å |
| 227 | Q | 45.6 | Very low | 43.7 | Very low | 139 Ų | 139 | 114.3 Ų | 114.3 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 122.9 | -179.3 | -157.5 | 178.2 | 34.2 | 0 | 0 | 111.3 | N212 R229 | N212-Q227 PolarHBondContact ND2-NE2 2.79Å; N212-Q227 CarbonylContact O-C 3.48Å; N212-Q227 VanDerWaalsContact O-CA 3.27Å; N212-Q227 WeakPolarHBondContact O-CA 3.35Å; N212-Q227 WeakPolarHBondContact O-CG 3.46Å; Q227-R229 PolarHBondContact O-N 3.42Å; Q227-R229 VanDerWaalsContact O-N 3.14Å |
| 228 | I | 48.4 | Very low | 43.8 | Very low | 84 Ų | 84 | 114 Ų | 114 | 43% | 0.431 | 65% | 0.653 | S | S | . | * | trans | -71.4 | 108.1 | 173.7 | -52.2 | -178.8 | 0 | 0 | 0 | 108.3 | N212 V214 T230 | N212-I228 PolarHBondContact O-N 3.25Å; V214-I228 HydrophobicContact CG2-CD1 3.68Å; V214-I228 HydrophobicContact CG2-CG1 3.74Å; I228-T230 VanDerWaalsContact C-N 3.28Å; I228-T230 HydrophobicContact CG2-CG2 4.15Å; I228-T230 PolarHBondContact O-N 2.89Å | ||
| 229 | R | 41.9 | Very low | 43.7 | Very low | 231 Ų | 231 | 119.5 Ų | 119.5 | 87% | 0.872 | 68% | 0.675 | S | S | * | * | trans | -78.8 | 74 | 178.3 | -166.2 | 175.2 | -174.8 | 168.4 | 2.7 | 111.7 | Q227 T231 | Q227-R229 PolarHBondContact O-N 3.42Å; Q227-R229 VanDerWaalsContact O-N 3.14Å; R229-T231 PolarHBondContact O-N 3.01Å | ||
| 230 | T | 45 | Very low | 43.7 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | trans | -64.7 | 122.9 | 165 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | I228 P232 | I228-T230 VanDerWaalsContact C-N 3.28Å; I228-T230 HydrophobicContact CG2-CG2 4.15Å; I228-T230 PolarHBondContact O-N 2.89Å; T230-P232 WeakPolarHBondContact O-CD 3.4Å | ||
| 231 | T | 35.9 | Very low | 43.6 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -85.7 | 114.5 | 177.5 | 49.5 | 0 | 0 | 0 | 0 | 110 | R229 T233 | R229-T231 PolarHBondContact O-N 3.01Å; T231-T233 PolarHBondContact O-N 3.23Å | ||
| 232 | P | 43.4 | Very low | 43.3 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -73 | 119.9 | 176.1 | 29.3 | -33.4 | 0 | 0 | 0 | 110.4 | T230 T234 | T230-P232 WeakPolarHBondContact O-CD 3.4Å; P232-T234 PolarHBondContact O-N 3.03Å | ||
| 233 | T | 39.6 | Very low | 43.2 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | trans | -85 | 50.1 | 179.7 | -42 | 0 | 0 | 0 | 0 | 111.7 | T231 | T231-T233 PolarHBondContact O-N 3.23Š| ||
| 234 | T | 38 | Very low | 43.2 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 60% | 0.595 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -142.9 | 130.4 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | P232 S236 | P232-T234 PolarHBondContact O-N 3.03Å; T234-S236 PolarHBondContact O-N 3.11Å |
| 235 | T | 43.2 | Very low | 43 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 96% | 0.963 | 72% | 0.72 | S | S | * | * | trans | -73.3 | 87.4 | 178.3 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 236 | S | 39.9 | Very low | 43 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | trans | -147.8 | 150.4 | 161.7 | 59 | 0 | 0 | 0 | 0 | 110.5 | T234 P238 | T234-S236 PolarHBondContact O-N 3.11Å; S236-P238 WeakPolarHBondContact O-CD 3.21Å | ||
| 237 | L | 39 | Very low | 43 | Very low | 156 Ų | 156 | 131 Ų | 131 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | -89.5 | 119.9 | -166.4 | -166.4 | 76.4 | 0 | 0 | 0 | 111.4 | Q239 | L237-Q239 PolarHBondContact O-N 3.41Š| ||
| 238 | P | 43.2 | Very low | 42.9 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -78.9 | 102.8 | 175 | 30.9 | -32.7 | 0 | 0 | 0 | 110.9 | S236 T240 | S236-P238 WeakPolarHBondContact O-CD 3.21Å; P238-T240 PolarHBondContact O-N 3.35Å | ||
| 239 | Q | 44.8 | Very low | 42.5 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -76.4 | 107.8 | 163.2 | -72.2 | -177.4 | -14.6 | 0 | 0 | 110 | L237 | L237-Q239 PolarHBondContact O-N 3.41Š| ||
| 240 | T | 41.6 | Very low | 42.9 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -155.4 | 130.4 | 159 | -69.7 | 0 | 0 | 0 | 0 | 108.2 | P238 | P238-T240 PolarHBondContact O-N 3.35Š| ||
| 241 | V | 44.4 | Very low | 42.5 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -106.6 | 115 | -176 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 242 | V | 43.3 | Very low | 42.9 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | -142.2 | 125 | 156.1 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | T244 | V242-T244 HydrophobicContact CG1-CG2 4.34Š| ||
| 243 | M | 42.6 | Very low | 42.9 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -105.6 | 104.9 | 177.2 | -78.8 | -73.1 | -170.9 | 0 | 0 | 110.2 | ||||
| 244 | T | 47.1 | Very low | 43.2 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -138.3 | 90.8 | 169.5 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | V242 P246 | V242-T244 HydrophobicContact CG1-CG2 4.34Å; T244-P246 WeakPolarHBondContact O-CD 3.39Å | ||
| 245 | S | 43.2 | Very low | 43.8 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -79.9 | 122.9 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 246 | P | 47.8 | Very low | 44.2 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -81.4 | 123.5 | 160.5 | -3.8 | 23.3 | 0 | 0 | 0 | 108.9 | T244 T248 | T244-P246 WeakPolarHBondContact O-CD 3.39Å; P246-T248 PolarHBondContact O-N 2.83Å | ||
| 247 | V | 45.4 | Very low | 44.9 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -77.5 | 115.1 | 168.7 | 175 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 248 | T | 43.2 | Very low | 46.3 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -117.3 | 133.5 | 170.6 | 53.1 | 0 | 0 | 0 | 0 | 111 | P246 | P246-T248 PolarHBondContact O-N 2.83Š| ||
| 249 | L | 41 | Very low | 48.4 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -90.4 | 124.3 | -159.9 | -173.6 | 57.9 | 0 | 0 | 0 | 111.9 | ||||
| 250 | T | 48.7 | Very low | 50.5 | Low | 101 Ų | 101 | 127.8 Ų | 127.8 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | trans | 27.3 | 116.7 | 169.7 | 166 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 251 | S | 38.2 | Very low | 53 | Low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | -147.7 | 111.7 | 141.2 | -78.2 | 0 | 0 | 0 | 0 | 110.2 | T253 | S251-T253 PolarHBondContact O-N 2.95Å; S251-T253 VanDerWaalsContact O-N 3.12Å | ||
| 252 | Q | 43 | Very low | 55.4 | Low | 182 Ų | 182 | 125 Ų | 125 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | trans | -83.3 | 80.3 | -169.7 | -65 | -174.4 | 5.5 | 0 | 0 | 113.5 | ||||
| 253 | T | 44.3 | Very low | 57.9 | Low | 116 Ų | 116 | 127.8 Ų | 127.8 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | trans | -141.7 | 46.8 | 166.8 | 57.4 | 0 | 0 | 0 | 0 | 113 | S251 K255 | S251-T253 PolarHBondContact O-N 2.95Å; S251-T253 VanDerWaalsContact O-N 3.12Å; T253-K255 VanDerWaalsContact C-N 3.27Å; T253-K255 PolarHBondContact O-N 2.83Å | ||
| 254 | S | 46.3 | Very low | 60.4 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | trans | -76.1 | 56.9 | -173.6 | 46.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 255 | K | 49.2 | Very low | 62.8 | Low | 191 Ų | 191 | 121.8 Ų | 121.8 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -143.2 | 26.8 | 174.3 | -70.6 | -164.4 | 176.5 | -176.8 | 0 | 115.2 | T253 | T253-K255 VanDerWaalsContact C-N 3.27Å; T253-K255 PolarHBondContact O-N 2.83Å |
| 256 | T | 52 | Low | 65.3 | Low | 63 Ų | 63 | 125.2 Ų | 125.2 | 39% | 0.387 | 66% | 0.661 | S | S | . | * | trans | -138.9 | 17.6 | -175.5 | -21.1 | 0 | 0 | 0 | 0 | 116.1 | D258 L261 I265 | T256-D258 PolarHBondContact O-N 3.49Å; T256-L261 HydrophobicContact CG2-CD2 4.1Å; T256-L261 HydrophobicContact CG2-CG 4.35Å; T256-I265 HydrophobicContact CG2-CD1 4.3Å | ||
| 257 | D | 54.9 | Low | 67.7 | Low | 155 Ų | 155 | 125 Ų | 125 | 83% | 0.829 | 65% | 0.653 | S | S | * | * | trans | -84.3 | 6.7 | 177.1 | -66.1 | -68.9 | 0 | 0 | 0 | 114.2 | P259 | D257-P259 WeakPolarHBondContact O-CD 3.34Š| ||
| 258 | D | 68.9 | Low | 70.2 | Confident | 88 Ų | 88 | 123.3 Ų | 123.3 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | trans | -77.9 | 114.3 | 163.4 | -169.3 | -26.7 | 0 | 0 | 0 | 109.9 | T256 Q260 L261 K262 | T256-D258 PolarHBondContact O-N 3.49Å; D258-Q260 PolarHBondContact O-N 2.91Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.43Å; D258-Q260 PolarHBondContact OD1-N 2.88Å; D258-L261 HydrophobicContact CB-CB 4.28Å; D258-L261 PolarHBondContact O-N 3.37Å; D258-K262 PolarHBondContact O-N 3.39Å | ||
| 259 | P | 85.6 | Confident | 72.8 | Confident | 102 Ų | 102 | 124.3 Ų | 124.3 | 66% | 0.662 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.2 | -21.7 | 179 | 27.3 | -35.1 | 0 | 0 | 0 | 113.1 | D257 R263 | D257-P259 WeakPolarHBondContact O-CD 3.34Å; P259-R263 PolarHBondContact O-N 2.95Å; P259-R263 VanDerWaalsContact O-N 3.11Å |
| 260 | Q | 90.6 | Very high | 75.6 | Confident | 141 Ų | 141 | 121.9 Ų | 121.9 | 66% | 0.659 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.9 | -50.2 | 174.1 | -174.5 | 169 | -68.8 | 0 | 0 | 111.1 | D258 K262 R263 E264 | D258-Q260 PolarHBondContact O-N 2.91Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.43Å; D258-Q260 PolarHBondContact OD1-N 2.88Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.23Å; Q260-R263 WeakPolarHBondContact O-CA 3.33Å; Q260-R263 WeakPolarHBondContact O-CB 3.47Å; Q260-R263 PolarHBondContact O-N 3.39Å; Q260-E264 PolarHBondContact O-N 3.23Å |
| 261 | L | 93.8 | Very high | 77.9 | Confident | 63 Ų | 63 | 125 Ų | 125 | 33% | 0.33 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.1 | -39.4 | 178.6 | -179.1 | 58.5 | 0 | 0 | 0 | 111.5 | T256 D258 R263 E264 I265 | T256-L261 HydrophobicContact CG2-CD2 4.1Å; T256-L261 HydrophobicContact CG2-CG 4.35Å; D258-L261 HydrophobicContact CB-CB 4.28Å; D258-L261 PolarHBondContact O-N 3.37Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.48Å; L261-E264 PolarHBondContact O-N 3.01Å; L261-I265 HydrophobicContact CD1-CD1 4.17Å; L261-I265 HydrophobicContact CD1-CG1 4.32Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 2.95Å |
| 262 | K | 94.3 | Very high | 80.8 | Confident | 142 Ų | 142 | 124.4 Ų | 124.4 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.8 | -32.9 | 174.4 | -167.6 | 171.3 | -173.8 | 169.6 | 0 | 113 | D258 Q260 R266 | D258-K262 PolarHBondContact O-N 3.39Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.23Å; K262-R266 PolarHBondContact O-N 3.36Å |
| 263 | R | 95.1 | Very high | 83.4 | Confident | 176 Ų | 176 | 118.5 Ų | 118.5 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.1 | -43 | 172.5 | -172.7 | -174.4 | -173.3 | -171.1 | 3.7 | 111.3 | P259 Q260 L261 R266 L267 | P259-R263 PolarHBondContact O-N 2.95Å; P259-R263 VanDerWaalsContact O-N 3.11Å; Q260-R263 WeakPolarHBondContact O-CA 3.33Å; Q260-R263 WeakPolarHBondContact O-CB 3.47Å; Q260-R263 PolarHBondContact O-N 3.39Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.48Å; R263-R266 WeakPolarHBondContact O-CB 3.34Å; R263-R266 PolarHBondContact O-N 2.85Å; R263-L267 HydrophobicContact CG-CD1 4.32Å; R263-L267 WeakPolarHBondContact O-CG 3.38Å; R263-L267 PolarHBondContact O-N 3.03Å |
| 264 | E | 96 | Very high | 86 | Confident | 100 Ų | 100 | 114.8 Ų | 114.8 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -47.8 | -179.9 | -173.7 | 171 | -170 | 0 | 0 | 112.2 | Q260 L261 R266 L267 M268 | Q260-E264 PolarHBondContact O-N 3.23Å; L261-E264 PolarHBondContact O-N 3.01Å; E264-R266 PolarHBondContact O-N 3.03Å; E264-L267 PolarHBondContact O-N 3.12Å; E264-M268 HydrophobicContact CG-CE 4.39Å; E264-M268 PolarHBondContact O-N 2.89Å |
| 265 | I | 96.4 | Very high | 88.5 | Confident | 61 Ų | 61 | 115.6 Ų | 115.6 | 31% | 0.313 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.7 | -37.9 | 174.6 | -67.5 | 164.9 | 0 | 0 | 0 | 111.3 | T256 L261 M268 K269 | T256-I265 HydrophobicContact CG2-CD1 4.3Å; L261-I265 HydrophobicContact CD1-CD1 4.17Å; L261-I265 HydrophobicContact CD1-CG1 4.32Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 2.95Å; I265-M268 HydrophobicContact CG1-CE 4.39Å; I265-K269 HydrophobicContact CG2-CD 4.32Å; I265-K269 WeakPolarHBondContact O-CB 3.17Å; I265-K269 WeakPolarHBondContact O-CG 3.32Å; I265-K269 PolarHBondContact O-N 2.82Å |
| 266 | R | 97.6 | Very high | 90.9 | Very high | 180 Ų | 180 | 109.5 Ų | 109.5 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | 175.5 | -171.1 | -170 | -61.6 | -179.3 | -0.6 | 111.7 | K262 R263 E264 K269 N270 | K262-R266 PolarHBondContact O-N 3.36Å; R263-R266 WeakPolarHBondContact O-CB 3.34Å; R263-R266 PolarHBondContact O-N 2.85Å; E264-R266 PolarHBondContact O-N 3.03Å; R266-K269 PolarHBondContact O-N 3.05Å; R266-N270 WeakPolarHBondContact O-CB 3.4Å; R266-N270 PolarHBondContact O-N 3.01Å |
| 267 | L | 98.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 110.6 Ų | 110.6 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 177.8 | -69 | 171.6 | 0 | 0 | 0 | 111.6 | R263 E264 N270 R271 | R263-L267 HydrophobicContact CG-CD1 4.32Å; R263-L267 WeakPolarHBondContact O-CG 3.38Å; R263-L267 PolarHBondContact O-N 3.03Å; E264-L267 PolarHBondContact O-N 3.12Å; L267-N270 PolarHBondContact O-N 3.49Å; L267-R271 WeakPolarHBondContact O-CB 3.38Å; L267-R271 PolarHBondContact O-N 3.23Å |
| 268 | M | 97 | Very high | 95.2 | Very high | 107 Ų | 107 | 112.5 Ų | 112.5 | 53% | 0.527 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 173.6 | -70.3 | -160.8 | -74.7 | 0 | 0 | 111.9 | E264 I265 N270 R271 E272 | E264-M268 HydrophobicContact CG-CE 4.39Å; E264-M268 PolarHBondContact O-N 2.89Å; I265-M268 HydrophobicContact CG1-CE 4.39Å; M268-N270 VanDerWaalsContact C-N 3.32Å; M268-N270 PolarHBondContact O-N 3.14Å; M268-R271 WeakPolarHBondContact O-CB 3.47Å; M268-R271 PolarHBondContact O-N 2.98Å; M268-E272 PolarHBondContact O-N 3.09Å |
| 269 | K | 98.4 | Very high | 96.6 | Very high | 153 Ų | 153 | 113.5 Ų | 113.5 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.2 | -36.5 | 176.7 | -74.5 | -177.7 | 175.8 | -173.7 | 0 | 112.8 | I265 R266 E272 A273 | I265-K269 HydrophobicContact CG2-CD 4.32Å; I265-K269 WeakPolarHBondContact O-CB 3.17Å; I265-K269 WeakPolarHBondContact O-CG 3.32Å; I265-K269 PolarHBondContact O-N 2.82Å; R266-K269 PolarHBondContact O-N 3.05Å; K269-E272 PolarHBondContact O-N 2.95Å; K269-A273 WeakPolarHBondContact O-CB 3.46Å; K269-A273 PolarHBondContact O-N 3.13Å |
| 270 | N | 98.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 114.3 Ų | 114.3 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.7 | -40.1 | 175 | -176.6 | -101.3 | 0 | 0 | 0 | 112.4 | R266 L267 M268 E272 A273 A274 | R266-N270 WeakPolarHBondContact O-CB 3.4Å; R266-N270 PolarHBondContact O-N 3.01Å; L267-N270 PolarHBondContact O-N 3.49Å; M268-N270 VanDerWaalsContact C-N 3.32Å; M268-N270 PolarHBondContact O-N 3.14Å; N270-E272 VanDerWaalsContact C-N 3.27Å; N270-E272 PolarHBondContact O-N 3.3Å; N270-A273 PolarHBondContact O-N 3.44Å; N270-A274 WeakPolarHBondContact O-CB 3.5Å; N270-A274 PolarHBondContact O-N 2.92Å |
| 271 | R | 98.5 | Very high | 97.6 | Very high | 166 Ų | 166 | 114.9 Ų | 114.9 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.3 | -40.4 | 173.1 | -171.3 | 180 | -173.4 | -176.5 | 2.2 | 111.3 | L267 M268 R275 | L267-R271 WeakPolarHBondContact O-CB 3.38Å; L267-R271 PolarHBondContact O-N 3.23Å; M268-R271 WeakPolarHBondContact O-CB 3.47Å; M268-R271 PolarHBondContact O-N 2.98Å; R271-R275 WeakPolarHBondContact O-CG 3.42Å; R271-R275 PolarHBondContact O-N 3.5Å; R271-R275 VanDerWaalsContact O-N 3.13Å |
| 272 | E | 98.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 120 Ų | 120 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.7 | -48 | 177.2 | -155.5 | 58 | -151.9 | 0 | 0 | 112.5 | M268 K269 N270 A274 R275 E276 | M268-E272 PolarHBondContact O-N 3.09Å; K269-E272 PolarHBondContact O-N 2.95Å; N270-E272 VanDerWaalsContact C-N 3.27Å; N270-E272 PolarHBondContact O-N 3.3Å; E272-A274 PolarHBondContact O-N 2.65Å; E272-R275 WeakPolarHBondContact O-CB 3.49Å; E272-R275 PolarHBondContact O-N 3.46Å; E272-R275 VanDerWaalsContact O-N 3.09Å; E272-R275 WeakPolarHBondContact OE2-CD 3.46Å; E272-R275 IonicContact OE2-CZ 3.63Å; E272-R275 IonicContact OE2-NE 3.94Å; E272-R275 IonicContact OE2-NH1 2.65Å; E272-R275 PolarHBondContact OE2-NH1 2.87Å; E272-E276 WeakPolarHBondContact O-CB 3.19Å; E272-E276 PolarHBondContact O-N 3Å |
| 273 | A | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 117.8 Ų | 117.8 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.9 | -35.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K269 N270 C277 | K269-A273 WeakPolarHBondContact O-CB 3.46Å; K269-A273 PolarHBondContact O-N 3.13Å; N270-A273 PolarHBondContact O-N 3.44Å; A273-C277 WeakPolarHBondContact O-CB 3.39Å; A273-C277 PolarHBondContact O-N 2.91Å |
| 274 | A | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 116.5 Ų | 116.5 | 31% | 0.314 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N270 E272 R278 | N270-A274 WeakPolarHBondContact O-CB 3.5Å; N270-A274 PolarHBondContact O-N 2.92Å; E272-A274 PolarHBondContact O-N 2.65Å; A274-R278 WeakPolarHBondContact O-CD 3.42Å; A274-R278 VanDerWaalsContact O-CG 3.23Å; A274-R278 WeakPolarHBondContact O-CG 3.48Å; A274-R278 PolarHBondContact O-N 3.49Å |
| 275 | R | 98.6 | Very high | 98.4 | Very high | 125 Ų | 125 | 114.5 Ų | 114.5 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -52.1 | 170.4 | -71.9 | 166.5 | 170.1 | 143.5 | -9.4 | 110.5 | R271 E272 C277 R278 R279 | R271-R275 WeakPolarHBondContact O-CG 3.42Å; R271-R275 PolarHBondContact O-N 3.5Å; R271-R275 VanDerWaalsContact O-N 3.13Å; E272-R275 WeakPolarHBondContact O-CB 3.49Å; E272-R275 PolarHBondContact O-N 3.46Å; E272-R275 VanDerWaalsContact O-N 3.09Å; E272-R275 WeakPolarHBondContact OE2-CD 3.46Å; E272-R275 IonicContact OE2-CZ 3.63Å; E272-R275 IonicContact OE2-NE 3.94Å; E272-R275 IonicContact OE2-NH1 2.65Å; E272-R275 PolarHBondContact OE2-NH1 2.87Å; R275-C277 PolarHBondContact O-N 3.33Å; R275-R278 WeakPolarHBondContact O-CB 3.23Å; R275-R278 PolarHBondContact O-N 2.95Å; R275-R278 VanDerWaalsContact O-N 3.14Å; R275-R279 PolarHBondContact O-N 2.75Å |
| 276 | E | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 118.8 Ų | 118.8 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | -175.7 | 174.7 | 59.9 | -177.8 | 0 | 0 | 112.5 | E272 R278 R279 K280 | E272-E276 WeakPolarHBondContact O-CB 3.19Å; E272-E276 PolarHBondContact O-N 3Å; E276-R278 PolarHBondContact O-N 2.93Å; E276-R279 VanDerWaalsContact CD-NH2 3.26Å; E276-R279 PolarHBondContact O-N 2.92Å; E276-R279 IonicContact OE1-CZ 2.73Å; E276-R279 IonicContact OE1-NH2 3.66Å; E276-R279 PolarHBondContact OE1-NH2 2.66Å; E276-R279 IonicContact OE2-CZ 3.87Å; E276-R279 VanDerWaalsContact OE2-CZ 3.25Å; E276-R279 IonicContact OE2-NE 3.63Å; E276-R279 PolarHBondContact OE2-NE 3.06Å; E276-R279 IonicContact OE2-NH2 2.83Å; E276-R279 PolarHBondContact OE2-NH2 3.45Å; E276-K280 HydrophobicContact CG-CD 4.36Å; E276-K280 WeakPolarHBondContact O-CB 3.08Å; E276-K280 PolarHBondContact O-N 3.37Å; E276-K280 WeakPolarHBondContact OE1-CD 3.44Å; E276-K280 WeakPolarHBondContact OE1-CE 3.49Å; E276-K280 IonicContact OE1-NZ 2.66Å; E276-K280 PolarHBondContact OE1-NZ 2.96Å |
| 277 | C | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 114 Ų | 114 | 57% | 0.574 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 172.9 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | A273 R275 K281 | A273-C277 WeakPolarHBondContact O-CB 3.39Å; A273-C277 PolarHBondContact O-N 2.91Å; R275-C277 PolarHBondContact O-N 3.33Å; C277-K281 WeakPolarHBondContact O-CB 3.47Å; C277-K281 PolarHBondContact O-N 3.35Å |
| 278 | R | 98.8 | Very high | 98.6 | Very high | 195 Ų | 195 | 112.3 Ų | 112.3 | 74% | 0.736 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -42.1 | 176.5 | -69.2 | 168.1 | -175.6 | -166.9 | 0.5 | 112 | A274 R275 E276 K281 K282 | A274-R278 WeakPolarHBondContact O-CD 3.42Å; A274-R278 VanDerWaalsContact O-CG 3.23Å; A274-R278 WeakPolarHBondContact O-CG 3.48Å; A274-R278 PolarHBondContact O-N 3.49Å; R275-R278 WeakPolarHBondContact O-CB 3.23Å; R275-R278 PolarHBondContact O-N 2.95Å; R275-R278 VanDerWaalsContact O-N 3.14Å; E276-R278 PolarHBondContact O-N 2.93Å; R278-K281 PolarHBondContact O-N 3.07Å; R278-K282 PolarHBondContact O-N 2.91Å |
| 279 | R | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 112.8 Ų | 112.8 | 42% | 0.415 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.5 | -54.4 | 176.1 | -172.4 | -172 | 67.6 | 81.5 | 4.2 | 110.9 | R275 E276 K281 K282 E283 | R275-R279 PolarHBondContact O-N 2.75Å; E276-R279 VanDerWaalsContact CD-NH2 3.26Å; E276-R279 PolarHBondContact O-N 2.92Å; E276-R279 IonicContact OE1-CZ 2.73Å; E276-R279 IonicContact OE1-NH2 3.66Å; E276-R279 PolarHBondContact OE1-NH2 2.66Å; E276-R279 IonicContact OE2-CZ 3.87Å; E276-R279 VanDerWaalsContact OE2-CZ 3.25Å; E276-R279 IonicContact OE2-NE 3.63Å; E276-R279 PolarHBondContact OE2-NE 3.06Å; E276-R279 IonicContact OE2-NH2 2.83Å; E276-R279 PolarHBondContact OE2-NH2 3.45Å; R279-K281 VanDerWaalsContact C-N 3.32Å; R279-K281 PolarHBondContact O-N 3Å; R279-K282 PolarHBondContact O-N 3.41Å; R279-K282 VanDerWaalsContact O-N 3.07Å; R279-E283 VanDerWaalsContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact CG-OE1 3.43Å; R279-E283 IonicContact CZ-OE1 3.25Å; R279-E283 IonicContact CZ-OE2 2.67Å; R279-E283 IonicContact NH1-OE1 2.93Å; R279-E283 PolarHBondContact NH1-OE1 2.83Å; R279-E283 IonicContact NH1-OE2 3.85Å; R279-E283 PolarHBondContact NH1-OE2 3.48Å; R279-E283 PolarHBondContact O-N 3.37Å |
| 280 | K | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 110.5 Ų | 110.5 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.7 | -39.4 | 176.6 | -81.9 | 172.6 | 161.1 | 142.6 | 0 | 113 | E276 E283 Y284 | E276-K280 HydrophobicContact CG-CD 4.36Å; E276-K280 WeakPolarHBondContact O-CB 3.08Å; E276-K280 PolarHBondContact O-N 3.37Å; E276-K280 WeakPolarHBondContact OE1-CD 3.44Å; E276-K280 WeakPolarHBondContact OE1-CE 3.49Å; E276-K280 IonicContact OE1-NZ 2.66Å; E276-K280 PolarHBondContact OE1-NZ 2.96Å; K280-E283 PolarHBondContact O-N 3.03Å; K280-Y284 VanDerWaalsContact O-CB 3.31Å; K280-Y284 WeakPolarHBondContact O-CB 3.36Å; K280-Y284 PolarHBondContact O-N 3.32Å |
| 281 | K | 98.8 | Very high | 98.7 | Very high | 154 Ų | 154 | 113.1 Ų | 113.1 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 174.4 | -172 | 175.9 | 179.7 | -179.5 | 0 | 112 | C277 R278 R279 Y284 V285 | C277-K281 WeakPolarHBondContact O-CB 3.47Å; C277-K281 PolarHBondContact O-N 3.35Å; R278-K281 PolarHBondContact O-N 3.07Å; R279-K281 VanDerWaalsContact C-N 3.32Å; R279-K281 PolarHBondContact O-N 3Å; K281-Y284 PolarHBondContact O-N 3.22Å; K281-V285 WeakPolarHBondContact O-CG2 3.45Å; K281-V285 PolarHBondContact O-N 3.47Å |
| 282 | K | 98.8 | Very high | 98.7 | Very high | 171 Ų | 171 | 108.7 Ų | 108.7 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -40.9 | 178.1 | -165.4 | 175.4 | -175.6 | -179.2 | 0 | 111.8 | R278 R279 K286 | R278-K282 PolarHBondContact O-N 2.91Å; R279-K282 PolarHBondContact O-N 3.41Å; R279-K282 VanDerWaalsContact O-N 3.07Å; K282-K286 PolarHBondContact O-N 2.95Å |
| 283 | E | 98.6 | Very high | 98.7 | Very high | 95 Ų | 95 | 106.1 Ų | 106.1 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 176 | -74.2 | 165.6 | -167.9 | 0 | 0 | 112.8 | R279 K280 K286 C287 | R279-E283 VanDerWaalsContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact CG-OE1 3.43Å; R279-E283 IonicContact CZ-OE1 3.25Å; R279-E283 IonicContact CZ-OE2 2.67Å; R279-E283 IonicContact NH1-OE1 2.93Å; R279-E283 PolarHBondContact NH1-OE1 2.83Å; R279-E283 IonicContact NH1-OE2 3.85Å; R279-E283 PolarHBondContact NH1-OE2 3.48Å; R279-E283 PolarHBondContact O-N 3.37Å; K280-E283 PolarHBondContact O-N 3.03Å; E283-K286 PolarHBondContact O-N 2.86Å; E283-C287 WeakPolarHBondContact O-CB 3.32Å; E283-C287 PolarHBondContact O-N 3.06Å |
| 284 | Y | 98.8 | Very high | 98.7 | Very high | 148 Ų | 148 | 106.6 Ų | 106.6 | 58% | 0.58 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 175.4 | 178.9 | -109.2 | 0 | 0 | 0 | 112 | K280 K281 C287 L288 | K280-Y284 VanDerWaalsContact O-CB 3.31Å; K280-Y284 WeakPolarHBondContact O-CB 3.36Å; K280-Y284 PolarHBondContact O-N 3.32Å; K281-Y284 PolarHBondContact O-N 3.22Å; Y284-C287 WeakPolarHBondContact O-CB 3.49Å; Y284-C287 PolarHBondContact O-N 2.98Å; Y284-L288 HydrophobicContact CD1-CD1 4.14Å; Y284-L288 HydrophobicContact CE1-CD1 3.55Å; Y284-L288 HydrophobicContact CE1-CG 4.23Å; Y284-L288 HydrophobicContact CE2-CD2 4.49Å; Y284-L288 HydrophobicContact CE2-CG 4.38Å; Y284-L288 WeakPolarHBondContact O-CG 3.38Å; Y284-L288 PolarHBondContact O-N 3.25Å |
| 285 | V | 98.9 | Very high | 98.7 | Very high | 58 Ų | 58 | 108.2 Ų | 108.2 | 35% | 0.352 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 173.5 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | K281 C287 L288 E289 | K281-V285 WeakPolarHBondContact O-CG2 3.45Å; K281-V285 PolarHBondContact O-N 3.47Å; V285-C287 VanDerWaalsContact C-N 3.26Å; V285-C287 PolarHBondContact O-N 2.9Å; V285-L288 WeakPolarHBondContact O-CB 3.37Å; V285-L288 PolarHBondContact O-N 3.28Å; V285-E289 HydrophobicContact CG1-CG 4.35Å; V285-E289 VanDerWaalsContact CG1-OE1 3.24Å; V285-E289 WeakPolarHBondContact CG1-OE1 3.27Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.73Å |
| 286 | K | 98.8 | Very high | 98.7 | Very high | 151 Ų | 151 | 108.2 Ų | 108.2 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.5 | -34.2 | 176.5 | -171.2 | 174.1 | -178.6 | 177.5 | 0 | 113.5 | K282 E283 E289 N290 | K282-K286 PolarHBondContact O-N 2.95Å; E283-K286 PolarHBondContact O-N 2.86Å; K286-E289 WeakPolarHBondContact CA-OE2 3.36Å; K286-N290 WeakPolarHBondContact O-CB 3.24Å; K286-N290 PolarHBondContact O-N 3.07Å |
| 287 | C | 98.6 | Very high | 98.7 | Very high | 80 Ų | 80 | 109.9 Ų | 109.9 | 54% | 0.541 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 175 | -174.4 | 0 | 0 | 0 | 0 | 112 | E283 Y284 V285 R291 | E283-C287 WeakPolarHBondContact O-CB 3.32Å; E283-C287 PolarHBondContact O-N 3.06Å; Y284-C287 WeakPolarHBondContact O-CB 3.49Å; Y284-C287 PolarHBondContact O-N 2.98Å; V285-C287 VanDerWaalsContact C-N 3.26Å; V285-C287 PolarHBondContact O-N 2.9Å; C287-R291 VanDerWaalsContact O-CB 3.27Å; C287-R291 WeakPolarHBondContact O-CB 3.35Å; C287-R291 PolarHBondContact O-N 2.94Å |
| 288 | L | 98.8 | Very high | 98.7 | Very high | 71 Ų | 71 | 110.8 Ų | 110.8 | 37% | 0.372 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 172.6 | -70.1 | 178.5 | 0 | 0 | 0 | 111.8 | Y284 V285 N290 R291 V292 | Y284-L288 HydrophobicContact CD1-CD1 4.14Å; Y284-L288 HydrophobicContact CE1-CD1 3.55Å; Y284-L288 HydrophobicContact CE1-CG 4.23Å; Y284-L288 HydrophobicContact CE2-CD2 4.49Å; Y284-L288 HydrophobicContact CE2-CG 4.38Å; Y284-L288 WeakPolarHBondContact O-CG 3.38Å; Y284-L288 PolarHBondContact O-N 3.25Å; V285-L288 WeakPolarHBondContact O-CB 3.37Å; V285-L288 PolarHBondContact O-N 3.28Å; L288-N290 PolarHBondContact O-N 2.89Å; L288-R291 PolarHBondContact O-N 3.34Å; L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 2.79Å |
| 289 | E | 98.6 | Very high | 98.7 | Very high | 117 Ų | 117 | 105.9 Ų | 105.9 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 176.3 | -69.7 | 163.9 | 170.6 | 0 | 0 | 111.3 | V285 K286 V292 A293 | V285-E289 HydrophobicContact CG1-CG 4.35Å; V285-E289 VanDerWaalsContact CG1-OE1 3.24Å; V285-E289 WeakPolarHBondContact CG1-OE1 3.27Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.73Å; K286-E289 WeakPolarHBondContact CA-OE2 3.36Å; E289-V292 PolarHBondContact O-N 3.4Å; E289-A293 PolarHBondContact O-N 2.67Å; E289-A293 VanDerWaalsContact O-N 3.07Å |
| 290 | N | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 106.3 Ų | 106.3 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -41.7 | 175.8 | 177.3 | -110.5 | 0 | 0 | 0 | 112.7 | K286 L288 V292 A293 V294 | K286-N290 WeakPolarHBondContact O-CB 3.24Å; K286-N290 PolarHBondContact O-N 3.07Å; L288-N290 PolarHBondContact O-N 2.89Å; N290-V292 VanDerWaalsContact C-N 3.33Å; N290-V292 PolarHBondContact O-N 2.91Å; N290-A293 PolarHBondContact O-N 3.01Å; N290-V294 WeakPolarHBondContact O-CG2 3.49Å; N290-V294 PolarHBondContact O-N 2.82Å |
| 291 | R | 98.8 | Very high | 98.7 | Very high | 163 Ų | 163 | 103.4 Ų | 103.4 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -37 | 175.9 | 172.4 | 175.4 | 161.1 | 164.8 | -4.5 | 112.2 | C287 L288 L295 | C287-R291 VanDerWaalsContact O-CB 3.27Å; C287-R291 WeakPolarHBondContact O-CB 3.35Å; C287-R291 PolarHBondContact O-N 2.94Å; L288-R291 PolarHBondContact O-N 3.34Å; R291-L295 HydrophobicContact CG-CD1 3.91Å; R291-L295 WeakPolarHBondContact O-CB 3.49Å; R291-L295 WeakPolarHBondContact O-CD1 3.34Å; R291-L295 VanDerWaalsContact O-CG 3.26Å; R291-L295 WeakPolarHBondContact O-CG 3.45Å; R291-L295 PolarHBondContact O-N 3.04Å |
| 292 | V | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 100.4 Ų | 100.4 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -52.3 | 173.4 | 167.5 | 0 | 0 | 0 | 0 | 109.8 | L288 E289 N290 V294 L295 E296 | L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 2.79Å; E289-V292 PolarHBondContact O-N 3.4Å; N290-V292 VanDerWaalsContact C-N 3.33Å; N290-V292 PolarHBondContact O-N 2.91Å; V292-V294 VanDerWaalsContact C-N 3.29Å; V292-V294 PolarHBondContact O-N 2.95Å; V292-L295 CarbonylContact O-C 3.6Å; V292-L295 PolarHBondContact O-N 2.93Å; V292-E296 HydrophobicContact CG1-CG 4.18Å; V292-E296 WeakPolarHBondContact CG1-OE1 3.36Å; V292-E296 WeakPolarHBondContact O-CG 3.37Å; V292-E296 PolarHBondContact O-N 3.26Å |
| 293 | A | 98.7 | Very high | 98.6 | Very high | 49 Ų | 49 | 97.7 Ų | 97.7 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E289 N290 N297 | E289-A293 PolarHBondContact O-N 2.67Å; E289-A293 VanDerWaalsContact O-N 3.07Å; N290-A293 PolarHBondContact O-N 3.01Å; A293-N297 WeakPolarHBondContact O-CB 3.43Å; A293-N297 PolarHBondContact O-N 3.33Å |
| 294 | V | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 98 Ų | 98 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 173.8 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | N290 V292 N297 Q298 | N290-V294 WeakPolarHBondContact O-CG2 3.49Å; N290-V294 PolarHBondContact O-N 2.82Å; V292-V294 VanDerWaalsContact C-N 3.29Å; V292-V294 PolarHBondContact O-N 2.95Å; V294-N297 PolarHBondContact O-N 3.48Å; V294-Q298 WeakPolarHBondContact O-CB 3.22Å; V294-Q298 WeakPolarHBondContact O-CG 3.41Å; V294-Q298 PolarHBondContact O-N 3.04Å |
| 295 | L | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 96 Ų | 96 | 38% | 0.382 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 178.3 | -72.3 | 167.4 | 0 | 0 | 0 | 112.2 | R291 V292 Q298 N299 | R291-L295 HydrophobicContact CG-CD1 3.91Å; R291-L295 WeakPolarHBondContact O-CB 3.49Å; R291-L295 WeakPolarHBondContact O-CD1 3.34Å; R291-L295 VanDerWaalsContact O-CG 3.26Å; R291-L295 WeakPolarHBondContact O-CG 3.45Å; R291-L295 PolarHBondContact O-N 3.04Å; V292-L295 CarbonylContact O-C 3.6Å; V292-L295 PolarHBondContact O-N 2.93Å; L295-Q298 PolarHBondContact O-N 3.4Å; L295-N299 WeakPolarHBondContact O-CB 3.38Å; L295-N299 PolarHBondContact O-N 3.34Å; L295-N299 PolarHBondContact O-ND2 3.22Å |
| 296 | E | 98.5 | Very high | 98.4 | Very high | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 173.9 | -73.1 | 171.7 | 161.5 | 0 | 0 | 111.1 | V292 N299 K300 | V292-E296 HydrophobicContact CG1-CG 4.18Å; V292-E296 WeakPolarHBondContact CG1-OE1 3.36Å; V292-E296 WeakPolarHBondContact O-CG 3.37Å; V292-E296 PolarHBondContact O-N 3.26Å; E296-N299 PolarHBondContact O-N 3.3Å; E296-K300 WeakPolarHBondContact O-CB 3.47Å; E296-K300 PolarHBondContact O-N 2.99Å |
| 297 | N | 98.7 | Very high | 98.3 | Very high | 99 Ų | 99 | 97.9 Ų | 97.9 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 175.8 | -171 | 79.5 | 0 | 0 | 0 | 112.3 | A293 V294 K300 T301 | A293-N297 WeakPolarHBondContact O-CB 3.43Å; A293-N297 PolarHBondContact O-N 3.33Å; V294-N297 PolarHBondContact O-N 3.48Å; N297-K300 WeakPolarHBondContact O-CB 3.36Å; N297-K300 PolarHBondContact O-N 2.95Å; N297-T301 PolarHBondContact O-N 2.99Å; N297-T301 PolarHBondContact O-OG1 3.05Å |
| 298 | Q | 98.6 | Very high | 98.1 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.7 | -76.5 | 177.1 | -29 | 0 | 0 | 112.1 | V294 L295 K300 T301 L302 | V294-Q298 WeakPolarHBondContact O-CB 3.22Å; V294-Q298 WeakPolarHBondContact O-CG 3.41Å; V294-Q298 PolarHBondContact O-N 3.04Å; L295-Q298 PolarHBondContact O-N 3.4Å; Q298-K300 VanDerWaalsContact C-N 3.31Å; Q298-K300 PolarHBondContact O-N 3.12Å; Q298-T301 PolarHBondContact O-N 3.37Å; Q298-L302 VanDerWaalsContact O-CG 3.32Å; Q298-L302 WeakPolarHBondContact O-CG 3.3Å; Q298-L302 PolarHBondContact O-N 3.21Å |
| 299 | N | 98.5 | Very high | 98 | Very high | 93 Ų | 93 | 100.6 Ų | 100.6 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 175 | -81.1 | -66 | 0 | 0 | 0 | 111.6 | L295 E296 L302 I303 | L295-N299 WeakPolarHBondContact O-CB 3.38Å; L295-N299 PolarHBondContact O-N 3.34Å; L295-N299 PolarHBondContact O-ND2 3.22Å; E296-N299 PolarHBondContact O-N 3.3Å; N299-L302 PolarHBondContact O-N 2.93Å; N299-I303 WeakPolarHBondContact O-CB 3.17Å; N299-I303 WeakPolarHBondContact O-CD1 3.28Å; N299-I303 WeakPolarHBondContact O-CG1 3.43Å; N299-I303 PolarHBondContact O-N 3.41Å |
| 300 | K | 98.6 | Very high | 97.8 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 176.1 | -176.6 | -177 | 168.3 | -173.6 | 0 | 111.9 | E296 N297 Q298 L302 I303 E304 | E296-K300 WeakPolarHBondContact O-CB 3.47Å; E296-K300 PolarHBondContact O-N 2.99Å; N297-K300 WeakPolarHBondContact O-CB 3.36Å; N297-K300 PolarHBondContact O-N 2.95Å; Q298-K300 VanDerWaalsContact C-N 3.31Å; Q298-K300 PolarHBondContact O-N 3.12Å; K300-L302 PolarHBondContact O-N 2.92Å; K300-I303 PolarHBondContact O-N 3Å; K300-E304 WeakPolarHBondContact CE-OE1 3.2Å; K300-E304 IonicContact NZ-OE1 3.96Å; K300-E304 WeakPolarHBondContact O-CG 3.45Å; K300-E304 PolarHBondContact O-N 3Å |
| 301 | T | 98.5 | Very high | 97.5 | Very high | 56 Ų | 56 | 101.3 Ų | 101.3 | 34% | 0.344 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.6 | N297 Q298 I303 E304 E305 | N297-T301 PolarHBondContact O-N 2.99Å; N297-T301 PolarHBondContact O-OG1 3.05Å; Q298-T301 PolarHBondContact O-N 3.37Å; T301-I303 VanDerWaalsContact C-N 3.31Å; T301-I303 PolarHBondContact O-N 3.36Å; T301-E304 PolarHBondContact O-N 3.43Å; T301-E304 VanDerWaalsContact O-N 3.12Å; T301-E305 HydrophobicContact CG2-CG 4.47Å; T301-E305 WeakPolarHBondContact O-CG 3.32Å; T301-E305 PolarHBondContact O-N 3.26Å |
| 302 | L | 98.5 | Very high | 97.2 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 177.1 | -69.6 | 169.4 | 0 | 0 | 0 | 112.8 | Q298 N299 K300 L306 | Q298-L302 VanDerWaalsContact O-CG 3.32Å; Q298-L302 WeakPolarHBondContact O-CG 3.3Å; Q298-L302 PolarHBondContact O-N 3.21Å; N299-L302 PolarHBondContact O-N 2.93Å; K300-L302 PolarHBondContact O-N 2.92Å; L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 WeakPolarHBondContact O-CG 3.45Å; L302-L306 PolarHBondContact O-N 3.46Å |
| 303 | I | 97.8 | Very high | 96.7 | Very high | 114 Ų | 114 | 104.1 Ų | 104.1 | 59% | 0.585 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.7 | -39.1 | 173.9 | -71.9 | 163.9 | 0 | 0 | 0 | 111.1 | N299 K300 T301 K307 | N299-I303 WeakPolarHBondContact O-CB 3.17Å; N299-I303 WeakPolarHBondContact O-CD1 3.28Å; N299-I303 WeakPolarHBondContact O-CG1 3.43Å; N299-I303 PolarHBondContact O-N 3.41Å; K300-I303 PolarHBondContact O-N 3Å; T301-I303 VanDerWaalsContact C-N 3.31Å; T301-I303 PolarHBondContact O-N 3.36Å; I303-K307 WeakPolarHBondContact O-CB 3.48Å; I303-K307 PolarHBondContact O-N 3.49Å |
| 304 | E | 97.6 | Very high | 95.7 | Very high | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 176.9 | -72.2 | 172.2 | -179.2 | 0 | 0 | 111.7 | K300 T301 K307 T308 | K300-E304 WeakPolarHBondContact CE-OE1 3.2Å; K300-E304 IonicContact NZ-OE1 3.96Å; K300-E304 WeakPolarHBondContact O-CG 3.45Å; K300-E304 PolarHBondContact O-N 3Å; T301-E304 PolarHBondContact O-N 3.43Å; T301-E304 VanDerWaalsContact O-N 3.12Å; E304-K307 WeakPolarHBondContact O-CB 3.49Å; E304-K307 PolarHBondContact O-N 3.29Å; E304-T308 PolarHBondContact O-N 2.89Å; E304-T308 PolarHBondContact O-OG1 3.23Å |
| 305 | E | 97.1 | Very high | 94.2 | Very high | 108 Ų | 108 | 109.5 Ų | 109.5 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 172.3 | -71.8 | 174.9 | -177.5 | 0 | 0 | 112.4 | T301 K307 T308 L309 | T301-E305 HydrophobicContact CG2-CG 4.47Å; T301-E305 WeakPolarHBondContact O-CG 3.32Å; T301-E305 PolarHBondContact O-N 3.26Å; E305-K307 PolarHBondContact O-N 3.28Å; E305-T308 PolarHBondContact O-N 3.22Å; E305-T308 PolarHBondContact O-OG1 3.44Å; E305-T308 VanDerWaalsContact O-OG1 3.09Å; E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.34Å; E305-L309 PolarHBondContact O-N 2.94Å |
| 306 | L | 97 | Very high | 92.5 | Very high | 98 Ų | 98 | 114.3 Ų | 114.3 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.3 | -25.5 | 175.2 | -73.9 | 172.4 | 0 | 0 | 0 | 112.4 | L302 K310 | L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 WeakPolarHBondContact O-CG 3.45Å; L302-L306 PolarHBondContact O-N 3.46Å; L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CD 3.3Å; L306-K310 WeakPolarHBondContact O-CD 3.35Å; L306-K310 WeakPolarHBondContact O-CG 3.37Å; L306-K310 PolarHBondContact O-N 3.27Å |
| 307 | K | 96.5 | Very high | 90.5 | Very high | 150 Ų | 150 | 112.5 Ų | 112.5 | 65% | 0.652 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.6 | -52.4 | 173.2 | -174.2 | -174.5 | 175.6 | -171.1 | 0 | 110.9 | I303 E304 E305 L309 K310 D311 | I303-K307 WeakPolarHBondContact O-CB 3.48Å; I303-K307 PolarHBondContact O-N 3.49Å; E304-K307 WeakPolarHBondContact O-CB 3.49Å; E304-K307 PolarHBondContact O-N 3.29Å; E305-K307 PolarHBondContact O-N 3.28Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.39Å; K307-K310 PolarHBondContact O-N 3.09Å; K307-D311 WeakPolarHBondContact O-CB 3.44Å; K307-D311 PolarHBondContact O-N 2.99Å |
| 308 | T | 95.4 | Very high | 88 | Confident | 96 Ų | 96 | 117.2 Ų | 117.2 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.2 | -36.2 | -179.2 | 55 | 0 | 0 | 0 | 0 | 112.2 | E304 E305 D311 L312 | E304-T308 PolarHBondContact O-N 2.89Å; E304-T308 PolarHBondContact O-OG1 3.23Å; E305-T308 PolarHBondContact O-N 3.22Å; E305-T308 PolarHBondContact O-OG1 3.44Å; E305-T308 VanDerWaalsContact O-OG1 3.09Å; T308-D311 PolarHBondContact O-N 3.37Å; T308-L312 WeakPolarHBondContact O-CB 2.89Å; T308-L312 PolarHBondContact O-N 3.23Å |
| 309 | L | 95.9 | Very high | 87.5 | Confident | 112 Ų | 112 | 117.9 Ų | 117.9 | 59% | 0.586 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68 | -37.7 | 176.5 | -167.6 | 66.4 | 0 | 0 | 0 | 112.6 | E305 K307 Y313 | E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.34Å; E305-L309 PolarHBondContact O-N 2.94Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.39Å; L309-Y313 PolarHBondContact O-N 2.96Å |
| 310 | K | 94.3 | Very high | 86.9 | Confident | 148 Ų | 148 | 119.2 Ų | 119.2 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.7 | -44.5 | 172.9 | -77.8 | 171 | -176 | 175.4 | 0 | 111.9 | L306 K307 Y313 C314 | L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CD 3.3Å; L306-K310 WeakPolarHBondContact O-CD 3.35Å; L306-K310 WeakPolarHBondContact O-CG 3.37Å; L306-K310 PolarHBondContact O-N 3.27Å; K307-K310 PolarHBondContact O-N 3.09Å; K310-Y313 PolarHBondContact O-N 3.37Å; K310-C314 WeakPolarHBondContact O-CB 3.31Å; K310-C314 PolarHBondContact O-N 3.46Å |
| 311 | D | 93.1 | Very high | 86.3 | Confident | 88 Ų | 88 | 119.2 Ų | 119.2 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.3 | -49.8 | 179.4 | -159.1 | 72.2 | 0 | 0 | 0 | 110.8 | K307 T308 Y313 C314 H315 | K307-D311 WeakPolarHBondContact O-CB 3.44Å; K307-D311 PolarHBondContact O-N 2.99Å; T308-D311 PolarHBondContact O-N 3.37Å; D311-Y313 VanDerWaalsContact C-N 3.31Å; D311-Y313 PolarHBondContact O-N 2.97Å; D311-C314 PolarHBondContact O-N 3.16Å; D311-H315 WeakPolarHBondContact O-CB 3.32Å; D311-H315 PolarHBondContact O-CD2 3.32Å; D311-H315 PolarHBondContact O-N 3.47Å; D311-H315 IonicContact OD1-NE2 3.72Å; D311-H315 IonicContact OD2-CD2 2.75Å |
| 312 | L | 92.4 | Very high | 85.6 | Confident | 113 Ų | 113 | 122.9 Ų | 122.9 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.4 | -35.1 | 176.2 | -178.9 | 62.1 | 0 | 0 | 0 | 113.4 | T308 K316 | T308-L312 WeakPolarHBondContact O-CB 2.89Å; T308-L312 PolarHBondContact O-N 3.23Å; L312-K316 VanDerWaalsContact O-CB 3.32Å; L312-K316 WeakPolarHBondContact O-CB 3.48Å |
| 313 | Y | 88.6 | Confident | 84.8 | Confident | 184 Ų | 184 | 124.9 Ų | 124.9 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.3 | -40.1 | 178.1 | -140.2 | -86.2 | 0 | 0 | 0 | 111.8 | L309 K310 D311 H315 K316 S317 | L309-Y313 PolarHBondContact O-N 2.96Å; K310-Y313 PolarHBondContact O-N 3.37Å; D311-Y313 VanDerWaalsContact C-N 3.31Å; D311-Y313 PolarHBondContact O-N 2.97Å; Y313-H315 VanDerWaalsContact C-N 3.33Å; Y313-H315 PolarHBondContact O-N 2.88Å; Y313-K316 PolarHBondContact O-N 3.38Å; Y313-K316 VanDerWaalsContact O-N 3.16Å; Y313-S317 PolarHBondContact O-N 2.98Å; Y313-S317 PolarHBondContact O-OG 3.16Å |
| 314 | C | 76.8 | Confident | 83.9 | Confident | 85 Ų | 85 | 125.7 Ų | 125.7 | 57% | 0.574 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.1 | -33 | 179.1 | -159.6 | 0 | 0 | 0 | 0 | 112.5 | K310 D311 K316 S317 | K310-C314 WeakPolarHBondContact O-CB 3.31Å; K310-C314 PolarHBondContact O-N 3.46Å; D311-C314 PolarHBondContact O-N 3.16Å; C314-K316 VanDerWaalsContact C-N 3.3Å; C314-S317 PolarHBondContact O-OG 3.48Å |
| 315 | H | 67.3 | Low | 82.9 | Confident | 144 Ų | 144 | 127.4 Ų | 127.4 | 67% | 0.667 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 0.3 | 174.3 | -72.4 | -46.2 | 0 | 0 | 0 | 114.5 | D311 Y313 | D311-H315 WeakPolarHBondContact O-CB 3.32Å; D311-H315 PolarHBondContact O-CD2 3.32Å; D311-H315 PolarHBondContact O-N 3.47Å; D311-H315 IonicContact OD1-NE2 3.72Å; D311-H315 IonicContact OD2-CD2 2.75Å; Y313-H315 VanDerWaalsContact C-N 3.33Å; Y313-H315 PolarHBondContact O-N 2.88Å |
| 316 | K | 62.4 | Low | 81.8 | Confident | 175 Ų | 175 | 128.9 Ų | 128.9 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | 9.8 | 179.8 | -158.3 | 167 | -176.5 | 175.6 | 0 | 113.5 | L312 Y313 C314 | L312-K316 VanDerWaalsContact O-CB 3.32Å; L312-K316 WeakPolarHBondContact O-CB 3.48Å; Y313-K316 PolarHBondContact O-N 3.38Å; Y313-K316 VanDerWaalsContact O-N 3.16Å; C314-K316 VanDerWaalsContact C-N 3.3Å |
| 317 | S | 56.7 | Low | 80.6 | Confident | 86 Ų | 86 | 131.5 Ų | 131.5 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | trans | -113.4 | 37.7 | 177.4 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | Y313 C314 | Y313-S317 PolarHBondContact O-N 2.98Å; Y313-S317 PolarHBondContact O-OG 3.16Å; C314-S317 PolarHBondContact O-OG 3.48Å | ||
| 318 | V | 47.1 | Very low | 79.1 | Confident | 197 Ų | 197 | 129.8 Ų | 129.8 | 100% | 1.194 | 67% | 0.673 | S | S | * | * | trans | -132.6 | 0 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 318 of 318 residues in 139.3 ms
(Link to these results)