| 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 | 40.2 | Very low | 35.9 | Very low | 252 Ų | 252 | 127.4 Ų | 127.4 | 100% | 1.241 | 86% | 0.858 | S | S | * | * | 0 | 121.3 | 0 | -84.2 | 178.1 | 165.8 | 0 | 0 | 108.1 | |||||
| 2 | A | 34.4 | Very low | 35.5 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 86% | 0.86 | S | S | * | * | trans | -88 | 138.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | G | 36 | Very low | 35.1 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 88% | 0.876 | 85% | 0.854 | S | S | * | * | trans | -117.1 | 99.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | K | 36.9 | Very low | 34.8 | Very low | 211 Ų | 211 | 132.4 Ų | 132.4 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | trans | -82.6 | 140.2 | 171.6 | -80.9 | 176.7 | 168.2 | 177.9 | 0 | 109.8 | ||||
| 5 | G | 33.6 | Very low | 34.5 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -148.6 | 113.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | N | 33.7 | Very low | 34.2 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | -94 | -178.6 | -167.9 | -127 | 7.1 | 0 | 0 | 0 | 111.2 | ||||
| 7 | P | 48.3 | Very low | 34.1 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 66% | 0.656 | 83% | 0.826 | S | S | * | * | trans | -124.1 | -162.5 | -134.1 | 28.6 | -3 | 0 | 0 | 0 | 114.7 | ||||
| 8 | V | 33.2 | Very low | 34.1 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | 96.5 | 152.4 | 157.2 | -170.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 9 | P | 41.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | cis | -118 | 168.8 | -8.5 | 16.3 | 8.6 | 0 | 0 | 0 | 112.6 | ||||
| 10 | G | 28.4 | Very low | 34.1 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | cis | 92.7 | 76.9 | 44.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 11 | G | 29.3 | Very low | 33.9 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -120 | 101.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 12 | H | 30.8 | Very low | 33.2 | Very low | 190 Ų | 190 | 127.2 Ų | 127.2 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 169 | 162 | -113.7 | -74.5 | 0 | 0 | 0 | 109.7 | ||||
| 13 | L | 30.7 | Very low | 33 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 101.4 | 127.8 | 174.2 | -56.1 | 164.5 | 0 | 0 | 0 | 111.4 | ||||
| 14 | N | 30.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | cis | -156.8 | 135.8 | 10.9 | -96 | -31 | 0 | 0 | 0 | 108.6 | F16 | N14-F16 HydrophobicContact CB-CD2 4.2Å; N14-F16 HydrophobicContact CB-CE2 4.12Å | ||
| 15 | G | 30.6 | Very low | 32.2 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -73.4 | 130.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 16 | F | 29.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 138 Ų | 138 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | -122.7 | 141 | 157.9 | -86.3 | -80 | 0 | 0 | 0 | 109.3 | N14 | N14-F16 HydrophobicContact CB-CD2 4.2Å; N14-F16 HydrophobicContact CB-CE2 4.12Å | ||
| 17 | P | 33.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 136.6 | -167.7 | 33.5 | -32.9 | 0 | 0 | 0 | 111.1 | ||
| 18 | M | 32.7 | Very low | 30.9 | Very low | 178 Ų | 178 | 142 Ų | 142 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 131.3 | 167.3 | -76.4 | -74.7 | -94.4 | 0 | 0 | 109.5 | ||
| 19 | P | 33.9 | Very low | 30.9 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 149.9 | 179.5 | 29.4 | -32.5 | 0 | 0 | 0 | 111.4 | Y21 | P19-Y21 PolarHBondContact O-N 3.27Š|
| 20 | P | 34.4 | Very low | 30.2 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.8 | 174 | 29.1 | -30.2 | 0 | 0 | 0 | 109.6 | S22 | P20-S22 PolarHBondContact O-N 3.18Š|
| 21 | Y | 30.6 | Very low | 30.1 | Very low | 209 Ų | 209 | 141.3 Ų | 141.3 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | trans | -59.1 | 108.8 | 165.5 | -92.1 | -89.7 | 0 | 0 | 0 | 109.1 | P19 Y23 | P19-Y21 PolarHBondContact O-N 3.27Å; Y21-Y23 PolarHBondContact O-N 2.83Å | ||
| 22 | S | 25.6 | Very low | 30.1 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -82.8 | 104.3 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 107.8 | P20 F24 | P20-S22 PolarHBondContact O-N 3.18Å; S22-F24 PolarHBondContact O-N 3.31Å; S22-F24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | Y | 29.8 | Very low | 30.2 | Very low | 205 Ų | 205 | 143.1 Ų | 143.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -71.7 | 102.3 | 166.6 | -80 | -81.7 | 0 | 0 | 0 | 108.8 | Y21 F25 | Y21-Y23 PolarHBondContact O-N 2.83Å; Y23-F25 PolarHBondContact O-N 2.84Å | ||
| 24 | F | 26.2 | Very low | 30.5 | Very low | 199 Ų | 199 | 141.9 Ų | 141.9 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | -59.6 | 111.8 | 163.1 | -99.2 | -99.2 | 0 | 0 | 0 | 109.2 | S22 | S22-F24 PolarHBondContact O-N 3.31Å; S22-F24 VanDerWaalsContact O-N 3.1Å | ||
| 25 | F | 30.5 | Very low | 30.7 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 128.9 | 159.2 | -93 | -90 | 0 | 0 | 0 | 108.2 | Y23 H27 | Y23-F25 PolarHBondContact O-N 2.84Å; F25-H27 PolarHBondContact O-N 2.89Å |
| 26 | P | 31.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 121.2 | 167 | -10.8 | 26.3 | 0 | 0 | 0 | 109.6 | ||
| 27 | H | 27.7 | Very low | 30.6 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.2 | 161.4 | -96.2 | -101.5 | 0 | 0 | 0 | 110.1 | F25 | F25-H27 PolarHBondContact O-N 2.89Š|
| 28 | M | 29.6 | Very low | 30.3 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | trans | -125.7 | 111.8 | 150.7 | -75.6 | -67 | 175.4 | 0 | 0 | 107.8 | ||||
| 29 | L | 31.3 | Very low | 30.1 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -96.2 | 146.2 | 172.9 | -86.2 | 162.5 | 0 | 0 | 0 | 109.5 | ||||
| 30 | G | 26.7 | Very low | 29.7 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 120.9 | 104.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | G | 27.6 | Very low | 29.8 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 99.4 | 89.6 | 18.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 32 | M | 28.8 | Very low | 29.9 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | trans | -151.4 | 127.1 | 155.3 | -69 | -142.2 | 95.5 | 0 | 0 | 110.9 | ||||
| 33 | S | 33.8 | Very low | 30 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 161.7 | 172.6 | -63 | 0 | 0 | 0 | 0 | 111.5 | ||
| 34 | P | 35.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 156.1 | -176.6 | 35.6 | -32.7 | 0 | 0 | 0 | 112.4 | ||
| 35 | P | 34.3 | Very low | 30 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 141.7 | 165.6 | 33.8 | -25.6 | 0 | 0 | 0 | 111.6 | ||
| 36 | A | 28.7 | Very low | 29.9 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 155.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 37 | L | 29.1 | Very low | 29.8 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 176 | 123.4 | 130.9 | -92.2 | 159.1 | 0 | 0 | 0 | 112.3 | ||||
| 38 | S | 28.6 | Very low | 30.2 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 20.5 | 132.6 | 139 | 45.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 39 | G | 27.4 | Very low | 30.3 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | 104.3 | 107.7 | 107.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 40 | L | 27.1 | Very low | 30.7 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 44 | 153.4 | 137 | -72.2 | 172.4 | 0 | 0 | 0 | 120.7 | ||||
| 41 | P | 35.9 | Very low | 31 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | cis | -145.7 | -178.9 | 39 | 38.8 | -15.5 | 0 | 0 | 0 | 118.4 | ||||
| 42 | I | 32.7 | Very low | 31.2 | Very low | 153 Ų | 153 | 125 Ų | 125 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 145.5 | 178.4 | -71.7 | 157.2 | 0 | 0 | 0 | 113.3 | ||||
| 43 | S | 28.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -171.8 | 134.3 | 139.8 | -159.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 44 | G | 26.2 | Very low | 31.7 | Very low | 58 Ų | 58 | 125.8 Ų | 125.8 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | cis | 130.7 | 146.1 | 32.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 45 | Y | 29.3 | Very low | 31.6 | Very low | 212 Ų | 212 | 127 Ų | 127 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | 107.7 | 96.9 | 169 | -59.2 | -71.2 | 0 | 0 | 0 | 119.7 | ||||
| 46 | S | 28.3 | Very low | 31.6 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 63.9 | 116.9 | 115.3 | -53.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 47 | T | 29.2 | Very low | 32 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -39.4 | 158.4 | 152.4 | 44 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 48 | P | 36.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -144.5 | 160.8 | 57 | 35.6 | -13.5 | 0 | 0 | 0 | 119 | |||||
| 49 | S | 32 | Very low | 33 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 166.4 | 168 | -52.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 50 | P | 39.4 | Very low | 33.9 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -150.4 | 177.5 | 88.9 | 37.5 | -17.9 | 0 | 0 | 0 | 116 | |||||
| 51 | A | 32.1 | Very low | 34.5 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | 94.7 | 102.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 52 | T | 32.5 | Very low | 34.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -52.1 | 142.7 | 159.9 | 39.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 53 | I | 36.6 | Very low | 35.3 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | trans | -139.8 | 127 | 138.7 | -61.1 | -175.6 | 0 | 0 | 0 | 108 | ||||
| 54 | E | 35.6 | Very low | 36.6 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -76 | 154.8 | -178.5 | -63.8 | 176 | 117.4 | 0 | 0 | 113 | ||||
| 55 | T | 33.9 | Very low | 37.8 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -151.7 | 118.6 | 140.8 | 3.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 56 | Q | 34.8 | Very low | 38.4 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -75.6 | 143.1 | 179.5 | -65 | 174.3 | -0.4 | 0 | 0 | 110.7 | ||||
| 57 | S | 36.1 | Very low | 39.8 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -150.8 | 135.7 | 152.4 | -81.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 58 | T | 41.1 | Very low | 41.1 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -94.4 | 137.7 | -162.6 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 59 | S | 38.7 | Very low | 41.7 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | 176.9 | 122.6 | 126.3 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 60 | S | 45.1 | Very low | 43.1 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -82.6 | 141.5 | 173.6 | -37.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 61 | E | 40.7 | Very low | 44.2 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -165.3 | 141.4 | 139.7 | -110.6 | 178.7 | -174.3 | 0 | 0 | 111.3 | ||||
| 62 | E | 42.1 | Very low | 45.2 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -76.6 | 153 | -168.2 | -65.5 | -166 | 136.4 | 0 | 0 | 114.4 | ||||
| 63 | I | 43.3 | Very low | 46.5 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -102.3 | 120.5 | -175.8 | -62.8 | 160.1 | 0 | 0 | 0 | 110 | ||||
| 64 | V | 55.7 | Low | 47.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -113.6 | 133.7 | 161.9 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 65 | P | 50.4 | Low | 49 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 130.9 | -178.2 | 4 | 14.3 | 0 | 0 | 0 | 112.8 | ||
| 66 | S | 43.3 | Very low | 50.7 | Low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 152 | 173.6 | -47.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 67 | P | 56.4 | Low | 52.6 | Low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 158.1 | -176 | 31.2 | -34.5 | 0 | 0 | 0 | 113.9 | ||
| 68 | P | 57.9 | Low | 55.1 | Low | 130 Ų | 130 | 133.1 Ų | 133.1 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 139.5 | -174.9 | 30 | -32.9 | 0 | 0 | 0 | 113.7 | ||
| 69 | S | 47.9 | Very low | 57.6 | Low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 152.4 | -179.6 | -38.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 70 | P | 62.3 | Low | 60.4 | Low | 119 Ų | 119 | 124.4 Ų | 124.4 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 154.3 | -178.8 | 27.8 | -33.4 | 0 | 0 | 0 | 113.5 | ||
| 71 | P | 61.2 | Low | 62.9 | Low | 120 Ų | 120 | 122.5 Ų | 122.5 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 144.8 | -177.9 | 28.4 | -33.1 | 0 | 0 | 0 | 112.5 | ||
| 72 | P | 54 | Low | 65.6 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 151.2 | -176.9 | 28 | -33.8 | 0 | 0 | 0 | 112.7 | ||
| 73 | P | 58.5 | Low | 68.2 | Low | 109 Ų | 109 | 104 Ų | 104 | 71% | 0.708 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 154.8 | -178.8 | 24.7 | -32.8 | 0 | 0 | 0 | 113.1 | R75 | P73-R75 PolarHBondContact O-N 3.12Š|
| 74 | P | 62.5 | Low | 70.8 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 79% | 0.792 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122 | -176.7 | 24.5 | -33.3 | 0 | 0 | 0 | 111.7 | V76 | P74-V76 PolarHBondContact O-N 3.17Š|
| 75 | R | 63.8 | Low | 72.7 | Confident | 198 Ų | 198 | 97.4 Ų | 97.4 | 75% | 0.747 | 56% | 0.562 | S | S | * | * | trans | -69.1 | 110 | 179.6 | -63 | -177.2 | -169.8 | -164 | 3.5 | 110.2 | P73 Y77 | P73-R75 PolarHBondContact O-N 3.12Å; R75-Y77 HydrophobicContact CB-CE1 4.16Å; R75-Y77 HydrophobicContact CB-CE2 4.35Å; R75-Y77 WeakPolarHBondContact O-CD2 3.47Å; R75-Y77 WeakPolarHBondContact O-CE2 3.43Å; R75-Y77 PolarHBondContact O-N 3.44Å | ||
| 76 | V | 69.8 | Low | 74.9 | Confident | 145 Ų | 145 | 100.6 Ų | 100.6 | 88% | 0.879 | 56% | 0.564 | S | S | * | * | trans | -76.1 | 109.2 | 172.1 | -177.8 | 0 | 0 | 0 | 0 | 109 | P74 | P74-V76 PolarHBondContact O-N 3.17Š| ||
| 77 | Y | 74 | Confident | 77.3 | Confident | 109 Ų | 109 | 96 Ų | 96 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 141.2 | 179 | -58.9 | -72.7 | 0 | 0 | 0 | 111.8 | R75 Y90 | R75-Y77 HydrophobicContact CB-CE1 4.16Å; R75-Y77 HydrophobicContact CB-CE2 4.35Å; R75-Y77 WeakPolarHBondContact O-CD2 3.47Å; R75-Y77 WeakPolarHBondContact O-CE2 3.43Å; R75-Y77 PolarHBondContact O-N 3.44Å; Y77-Y90 HydrophobicContact CD1-CD2 4.37Å; Y77-Y90 HydrophobicContact CD1-CE2 4.39Å |
| 78 | K | 88 | Confident | 79.1 | Confident | 129 Ų | 129 | 92.9 Ų | 92.9 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 152.2 | 170.3 | -68.5 | -172.9 | 176.5 | -176.9 | 0 | 110.9 | F81 S87 S95 | K78-F81 HydrophobicContact CB-CE1 3.93Å; K78-F81 HydrophobicContact CB-CZ 4.1Å; K78-F81 HydrophobicContact CD-CE1 4.27Å; K78-F81 HydrophobicContact CD-CZ 3.86Å; K78-S87 WeakPolarHBondContact O-CB 3.36Å; K78-S95 PolarHBondContact O-OG 3.2Å |
| 79 | P | 94.4 | Very high | 80.7 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 163.3 | 177.5 | 26.4 | -35.4 | 0 | 0 | 0 | 112.5 | F81 | P79-F81 VanDerWaalsContact O-CD1 3.24Å; P79-F81 WeakPolarHBondContact O-CD1 3.25Å; P79-F81 PolarHBondContact O-N 2.64Å |
| 80 | C | 97.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 116.1 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V82 C83 Q84 D85 S95 C97 | C80-V82 PolarHBondContact O-N 3.13Å; C80-C83 PolarHBondContact O-N 3Å; C80-Q84 VanDerWaalsContact O-CA 3.24Å; C80-Q84 WeakPolarHBondContact O-CA 3.2Å; C80-Q84 PolarHBondContact O-N 3.15Å; C80-Q84 PolarHBondContact O-OE1 3.23Å; C80-D85 WeakPolarHBondContact CB-O 3.29Å; C80-D85 PolarHBondContact N-O 2.72Å; C80-S95 WeakPolarHBondContact CA-O 3.31Å; C80-C97 HydrophobicContact CB-CB 4.02Å; C80-C97 PolarHBondContact SG-N 2.78Å; C80-C97 VanDerWaalsContact SG-N 3.36Å |
| 81 | F | 97.1 | Very high | 84.4 | Confident | 77 Ų | 77 | 84 Ų | 84 | 34% | 0.338 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.2 | -176.2 | -63 | -19.9 | 0 | 0 | 0 | 114.5 | K78 P79 V94 S95 V143 | K78-F81 HydrophobicContact CB-CE1 3.93Å; K78-F81 HydrophobicContact CB-CZ 4.1Å; K78-F81 HydrophobicContact CD-CE1 4.27Å; K78-F81 HydrophobicContact CD-CZ 3.86Å; P79-F81 VanDerWaalsContact O-CD1 3.24Å; P79-F81 WeakPolarHBondContact O-CD1 3.25Å; P79-F81 PolarHBondContact O-N 2.64Å; F81-V94 HydrophobicContact CD2-CB 4.47Å; F81-S95 PolarHBondContact N-O 3.02Å; F81-V143 HydrophobicContact CB-CB 4.11Å; F81-V143 HydrophobicContact CB-CG1 4.13Å; F81-V143 HydrophobicContact CB-CG2 4.37Å |
| 82 | V | 97.8 | Very high | 86.1 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.024 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -41.4 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | C80 C100 I124 R136 K139 C140 V143 M145 | C80-V82 PolarHBondContact O-N 3.13Å; V82-C100 HydrophobicContact CB-CB 4.18Å; V82-C100 HydrophobicContact CG1-CB 4.3Å; V82-C100 HydrophobicContact CG2-CB 4.34Å; V82-I124 HydrophobicContact CG1-CG2 4.15Å; V82-I124 VanDerWaalsContact O-CG2 3.31Å; V82-I124 WeakPolarHBondContact O-CG2 3.24Å; V82-R136 HydrophobicContact CG1-CG 4.48Å; V82-K139 HydrophobicContact CG1-CB 4.29Å; V82-K139 HydrophobicContact CG1-CG 4.29Å; V82-C140 HydrophobicContact CG2-CB 4.48Å; V82-V143 HydrophobicContact CG2-CG2 3.65Å; V82-M145 HydrophobicContact CG2-CE 3.83Å; V82-M145 HydrophobicContact CG2-SD 4.41Å |
| 83 | C | 97.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 5.3 | -169.7 | 71.1 | 0 | 0 | 0 | 0 | 115 | C80 D85 C100 I124 N125 K126 R129 | C80-C83 PolarHBondContact O-N 3Å; C83-D85 PolarHBondContact O-N 3.08Å; C83-D85 VanDerWaalsContact O-N 3.12Å; C83-C100 VanDerWaalsContact SG-SG 3.66Å; C83-I124 HydrophobicContact CB-CG2 4.11Å; C83-N125 CarbonylContact O-C 3.55Å; C83-N125 WeakPolarHBondContact O-CA 3.47Å; C83-K126 PolarHBondContact O-N 3.4Å; C83-R129 HydrophobicContact CB-CB 4.26Å; C83-R129 PolarHBondContact SG-NH1 2.69Å |
| 84 | Q | 97 | Very high | 89.6 | Confident | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | trans | 60.2 | 13.4 | -179.4 | -50 | -61.9 | 4.3 | 0 | 0 | 115.9 | C80 | C80-Q84 VanDerWaalsContact O-CA 3.24Å; C80-Q84 WeakPolarHBondContact O-CA 3.2Å; C80-Q84 PolarHBondContact O-N 3.15Å; C80-Q84 PolarHBondContact O-OE1 3.23Å | ||
| 85 | D | 96.1 | Very high | 91.2 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 13% | 0.128 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -73.4 | 166.6 | 171.5 | -161.2 | 8.1 | 0 | 0 | 0 | 111.5 | C80 C83 S87 C97 K126 R129 | C80-D85 WeakPolarHBondContact CB-O 3.29Å; C80-D85 PolarHBondContact N-O 2.72Å; C83-D85 PolarHBondContact O-N 3.08Å; C83-D85 VanDerWaalsContact O-N 3.12Å; D85-S87 PolarHBondContact O-N 3.1Å; D85-S87 VanDerWaalsContact O-N 3.17Å; D85-C97 HydrophobicContact CB-CB 4.16Å; D85-K126 HydrophobicContact CB-CB 4.41Å; D85-K126 HydrophobicContact CB-CD 4.37Å; D85-K126 HydrophobicContact CB-CG 4.3Å; D85-K126 WeakPolarHBondContact OD1-CD 3.11Å; D85-K126 VanDerWaalsContact OD1-CE 3.25Å; D85-K126 WeakPolarHBondContact OD1-CE 3.34Å; D85-K126 IonicContact OD1-NZ 2.83Å; D85-K126 PolarHBondContact OD1-NZ 3.26Å; D85-R129 IonicContact OD2-CZ 3.72Å; D85-R129 IonicContact OD2-NH1 2.83Å; D85-R129 PolarHBondContact OD2-NH1 2.88Å; D85-R129 IonicContact OD2-NH2 3.42Å |
| 86 | K | 95.3 | Very high | 92.8 | Very high | 186 Ų | 186 | 57.8 Ų | 57.8 | 81% | 0.809 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 122.1 | 177.3 | -173.4 | 176.8 | 179.5 | 179.7 | 0 | 109.8 | C97 | K86-C97 VanDerWaalsContact O-CB 3.29Å; K86-C97 WeakPolarHBondContact O-CB 3.24Å |
| 87 | S | 95.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 51 Ų | 51 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 150.7 | 176.8 | -176 | 0 | 0 | 0 | 0 | 111.1 | K78 D85 G89 S95 A96 | K78-S87 WeakPolarHBondContact O-CB 3.36Å; D85-S87 PolarHBondContact O-N 3.1Å; D85-S87 VanDerWaalsContact O-N 3.17Å; S87-G89 PolarHBondContact OG-N 2.77Å; S87-G89 VanDerWaalsContact OG-N 3.13Å; S87-G89 PolarHBondContact OG-O 2.95Å; S87-G89 VanDerWaalsContact OG-O 3.08Å; S87-S95 VanDerWaalsContact CB-OG 3.23Å; S87-S95 WeakPolarHBondContact CB-OG 2.93Å; S87-S95 PolarHBondContact OG-OG 3.45Å; S87-A96 PolarHBondContact OG-N 3.23Å; S87-A96 PolarHBondContact OG-O 3.08Å |
| 88 | S | 93.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | trans | -107.3 | 6.1 | 174.3 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | H91 A96 E98 | S88-H91 PolarHBondContact OG-CD2 2.91Å; S88-H91 PolarHBondContact OG-NE2 3.4Å; S88-A96 PolarHBondContact N-O 2.97Å; S88-A96 PolarHBondContact OG-O 3.46Å; S88-E98 PolarHBondContact OG-N 2.88Å; S88-E98 PolarHBondContact OG-OE1 3.49Å | ||
| 89 | G | 91.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 46 Ų | 46 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 125 | -168.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S87 S95 A96 | S87-G89 PolarHBondContact OG-N 2.77Å; S87-G89 VanDerWaalsContact OG-N 3.13Å; S87-G89 PolarHBondContact OG-O 2.95Å; S87-G89 VanDerWaalsContact OG-O 3.08Å; G89-S95 WeakPolarHBondContact O-CA 3.23Å; G89-A96 PolarHBondContact O-N 3.17Å |
| 90 | Y | 94.1 | Very high | 95.8 | Very high | 138 Ų | 138 | 42.8 Ų | 42.8 | 54% | 0.541 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119 | 176.1 | -74.1 | -101 | 0 | 0 | 0 | 110 | Y77 V94 | Y77-Y90 HydrophobicContact CD1-CD2 4.37Å; Y77-Y90 HydrophobicContact CD1-CE2 4.39Å; Y90-V94 CarbonylContact C-O 3.38Å; Y90-V94 VanDerWaalsContact CA-O 3.29Å; Y90-V94 WeakPolarHBondContact CA-O 3.38Å |
| 91 | H | 94.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126 | 176.7 | -61 | -69.3 | 0 | 0 | 0 | 109.1 | S88 G93 V94 A96 E98 K101 | S88-H91 PolarHBondContact OG-CD2 2.91Å; S88-H91 PolarHBondContact OG-NE2 3.4Å; H91-G93 PolarHBondContact O-N 3.44Å; H91-V94 PolarHBondContact N-O 3.45Å; H91-V94 PolarHBondContact O-N 3.15Å; H91-A96 HydrophobicContact CB-CB 4.26Å; H91-A96 PolarHBondContact CD2-O 2.88Å; H91-E98 IonicContact CE1-OE1 3.75Å; H91-E98 IonicContact NE2-OE1 3.21Å; H91-E98 PolarHBondContact NE2-OE1 2.99Å; H91-K101 HydrophobicContact CB-CB 4.05Å; H91-K101 HydrophobicContact CB-CD 4.37Å; H91-K101 HydrophobicContact CB-CG 3.88Å; H91-K101 VanDerWaalsContact CE1-CE 3.47Å; H91-K101 WeakPolarHBondContact CE1-CE 3.5Å; H91-K101 PolarHBondContact CE1-NZ 3.05Å; H91-K101 WeakPolarHBondContact ND1-CD 3.44Å; H91-K101 VanDerWaalsContact ND1-CE 3.29Å; H91-K101 WeakPolarHBondContact ND1-CE 3.33Å |
| 92 | Y | 95.2 | Very high | 95.8 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 35.4 | -178.1 | -46.7 | -65.4 | 0 | 0 | 0 | 113.3 | K101 F104 R105 M145 S146 V150 | Y92-K101 HydrophobicContact CE2-CB 4.42Å; Y92-K101 HydrophobicContact CE2-CG 3.77Å; Y92-F104 AromaticContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CE1 4.34Å; Y92-F104 HydrophobicContact CD2-CG 4.49Å; Y92-F104 HydrophobicContact CE2-CD1 4.15Å; Y92-F104 AromaticContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CE1 4.15Å; Y92-R105 HydrophobicContact CE2-CB 4.35Å; Y92-R105 WeakPolarHBondContact OH-CB 3.47Å; Y92-R105 WeakPolarHBondContact OH-CD 3.29Å; Y92-M145 CarbonylContact O-C 3.52Å; Y92-M145 WeakPolarHBondContact O-CA 3.18Å; Y92-S146 PolarHBondContact O-N 3.28Å; Y92-V150 HydrophobicContact CD1-CG2 3.71Å; Y92-V150 HydrophobicContact CE1-CB 4.34Å; Y92-V150 HydrophobicContact CE1-CG2 3.62Å; Y92-V150 HydrophobicContact CG-CG2 4.31Å |
| 93 | G | 91.2 | Very high | 95.8 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 62% | 0.619 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | -9.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | H91 | H91-G93 PolarHBondContact O-N 3.44Š|
| 94 | V | 94.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.6 | -175 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | F81 Y90 H91 A96 V143 G144 M145 | F81-V94 HydrophobicContact CD2-CB 4.47Å; Y90-V94 CarbonylContact C-O 3.38Å; Y90-V94 VanDerWaalsContact CA-O 3.29Å; Y90-V94 WeakPolarHBondContact CA-O 3.38Å; H91-V94 PolarHBondContact N-O 3.45Å; H91-V94 PolarHBondContact O-N 3.15Å; V94-A96 HydrophobicContact CG2-CB 4.44Å; V94-A96 PolarHBondContact O-N 3.36Å; V94-V143 HydrophobicContact CG1-CG2 4.5Å; V94-V143 WeakPolarHBondContact CG1-O 3.36Å; V94-V143 HydrophobicContact CG2-CG2 4.24Å; V94-G144 VanDerWaalsContact CG1-C 3.41Å; V94-G144 WeakPolarHBondContact CG1-O 3.43Å; V94-M145 HydrophobicContact CG2-CE 3.54Å; V94-M145 HydrophobicContact CG2-CG 3.37Å; V94-M145 HydrophobicContact CG2-SD 4.36Å |
| 95 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 119.5 | 172.4 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | K78 C80 F81 S87 G89 | K78-S95 PolarHBondContact O-OG 3.2Å; C80-S95 WeakPolarHBondContact CA-O 3.31Å; F81-S95 PolarHBondContact N-O 3.02Å; S87-S95 VanDerWaalsContact CB-OG 3.23Å; S87-S95 WeakPolarHBondContact CB-OG 2.93Å; S87-S95 PolarHBondContact OG-OG 3.45Å; G89-S95 WeakPolarHBondContact O-CA 3.23Å |
| 96 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -144.4 | 151.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S87 S88 G89 H91 V94 M145 | S87-A96 PolarHBondContact OG-N 3.23Å; S87-A96 PolarHBondContact OG-O 3.08Å; S88-A96 PolarHBondContact N-O 2.97Å; S88-A96 PolarHBondContact OG-O 3.46Å; G89-A96 PolarHBondContact O-N 3.17Å; H91-A96 HydrophobicContact CB-CB 4.26Å; H91-A96 PolarHBondContact CD2-O 2.88Å; V94-A96 HydrophobicContact CG2-CB 4.44Å; V94-A96 PolarHBondContact O-N 3.36Å; A96-M145 HydrophobicContact CB-CE 3.32Å | ||
| 97 | C | 97.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | trans | -79.3 | 158.5 | 168.7 | 68.6 | 0 | 0 | 0 | 0 | 110.9 | C80 D85 K86 G99 C100 K101 R129 | C80-C97 HydrophobicContact CB-CB 4.02Å; C80-C97 PolarHBondContact SG-N 2.78Å; C80-C97 VanDerWaalsContact SG-N 3.36Å; D85-C97 HydrophobicContact CB-CB 4.16Å; K86-C97 VanDerWaalsContact O-CB 3.29Å; K86-C97 WeakPolarHBondContact O-CB 3.24Å; C97-G99 PolarHBondContact O-N 3.04Å; C97-G99 VanDerWaalsContact O-N 3.15Å; C97-C100 PolarHBondContact O-N 3.47Å; C97-C100 VanDerWaalsContact O-N 3.17Å; C97-C100 PolarHBondContact SG-N 3.49Å; C97-C100 VanDerWaalsContact SG-N 3.44Å; C97-K101 WeakPolarHBondContact O-CB 3.49Å; C97-K101 PolarHBondContact O-N 3.24Å; C97-R129 PolarHBondContact SG-NH1 3.29Å; C97-R129 VanDerWaalsContact SG-NH1 3.4Å | ||
| 98 | E | 97.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 37.6 Ų | 37.6 | 48% | 0.477 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.9 | -32.1 | 176.7 | -74.4 | -61.1 | 137.7 | 0 | 0 | 112.8 | S88 H91 K101 G102 | S88-E98 PolarHBondContact OG-N 2.88Å; S88-E98 PolarHBondContact OG-OE1 3.49Å; H91-E98 IonicContact CE1-OE1 3.75Å; H91-E98 IonicContact NE2-OE1 3.21Å; H91-E98 PolarHBondContact NE2-OE1 2.99Å; E98-K101 IonicContact OE1-NZ 3.58Å; E98-K101 PolarHBondContact OE1-NZ 2.89Å; E98-K101 VanDerWaalsContact OE2-CD 3.22Å; E98-K101 WeakPolarHBondContact OE2-CD 3.22Å; E98-K101 IonicContact OE2-NZ 3.61Å; E98-K101 PolarHBondContact OE2-NZ 2.93Å; E98-G102 PolarHBondContact O-N 3.14Å |
| 99 | G | 97.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C97 F103 | C97-G99 PolarHBondContact O-N 3.04Å; C97-G99 VanDerWaalsContact O-N 3.15Å; G99-F103 VanDerWaalsContact O-CB 3.27Å; G99-F103 WeakPolarHBondContact O-CB 3.42Å; G99-F103 PolarHBondContact O-N 3.05Å; G99-F103 VanDerWaalsContact O-N 3.09Å |
| 100 | C | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -77.1 | -34.6 | 179.1 | -68.2 | 0 | 0 | 0 | 0 | 112 | V82 C83 C97 F103 F104 M145 | V82-C100 HydrophobicContact CB-CB 4.18Å; V82-C100 HydrophobicContact CG1-CB 4.3Å; V82-C100 HydrophobicContact CG2-CB 4.34Å; C83-C100 VanDerWaalsContact SG-SG 3.66Å; C97-C100 PolarHBondContact O-N 3.47Å; C97-C100 VanDerWaalsContact O-N 3.17Å; C97-C100 PolarHBondContact SG-N 3.49Å; C97-C100 VanDerWaalsContact SG-N 3.44Å; C100-F103 PolarHBondContact O-N 3.38Å; C100-F104 VanDerWaalsContact O-CB 3.27Å; C100-F104 WeakPolarHBondContact O-CB 3.5Å; C100-F104 PolarHBondContact O-N 3.01Å; C100-M145 HydrophobicContact CB-CE 4.36Å |
| 101 | K | 97.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 44 Ų | 44 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.3 | -54.8 | 169.5 | 173.3 | -158.6 | -172.4 | -176.5 | 0 | 111.4 | H91 Y92 C97 E98 F103 F104 R105 | H91-K101 HydrophobicContact CB-CB 4.05Å; H91-K101 HydrophobicContact CB-CD 4.37Å; H91-K101 HydrophobicContact CB-CG 3.88Å; H91-K101 VanDerWaalsContact CE1-CE 3.47Å; H91-K101 WeakPolarHBondContact CE1-CE 3.5Å; H91-K101 PolarHBondContact CE1-NZ 3.05Å; H91-K101 WeakPolarHBondContact ND1-CD 3.44Å; H91-K101 VanDerWaalsContact ND1-CE 3.29Å; H91-K101 WeakPolarHBondContact ND1-CE 3.33Å; Y92-K101 HydrophobicContact CE2-CB 4.42Å; Y92-K101 HydrophobicContact CE2-CG 3.77Å; C97-K101 WeakPolarHBondContact O-CB 3.49Å; C97-K101 PolarHBondContact O-N 3.24Å; E98-K101 IonicContact OE1-NZ 3.58Å; E98-K101 PolarHBondContact OE1-NZ 2.89Å; E98-K101 VanDerWaalsContact OE2-CD 3.22Å; E98-K101 WeakPolarHBondContact OE2-CD 3.22Å; E98-K101 IonicContact OE2-NZ 3.61Å; E98-K101 PolarHBondContact OE2-NZ 2.93Å; K101-F103 PolarHBondContact O-N 3.24Å; K101-F104 PolarHBondContact O-N 2.83Å; K101-R105 WeakPolarHBondContact O-CB 3.29Å; K101-R105 PolarHBondContact O-N 2.69Å |
| 102 | G | 96.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | E98 R106 | E98-G102 PolarHBondContact O-N 3.14Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 VanDerWaalsContact O-CZ 3.31Å; G102-R106 PolarHBondContact O-N 3.39Å; G102-R106 VanDerWaalsContact O-N 3.11Å; G102-R106 PolarHBondContact O-NH1 3.09Å |
| 103 | F | 97.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 174.9 | 173.1 | -98.7 | 0 | 0 | 0 | 111.8 | G99 C100 K101 R106 S107 Y114 Q133 R136 L137 | G99-F103 VanDerWaalsContact O-CB 3.27Å; G99-F103 WeakPolarHBondContact O-CB 3.42Å; G99-F103 PolarHBondContact O-N 3.05Å; G99-F103 VanDerWaalsContact O-N 3.09Å; C100-F103 PolarHBondContact O-N 3.38Å; K101-F103 PolarHBondContact O-N 3.24Å; F103-R106 PolarHBondContact O-N 3.46Å; F103-S107 WeakPolarHBondContact O-CB 3.18Å; F103-S107 PolarHBondContact O-N 2.71Å; F103-S107 PolarHBondContact O-OG 3.38Å; F103-Y114 AromaticContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CZ-CD2 4.33Å; F103-Y114 AromaticContact CZ-CE2 3.73Å; F103-Y114 HydrophobicContact CZ-CE2 3.73Å; F103-Q133 HydrophobicContact CE2-CB 4.14Å; F103-Q133 HydrophobicContact CE2-CG 4.17Å; F103-Q133 HydrophobicContact CZ-CB 4.18Å; F103-Q133 WeakPolarHBondContact CZ-O 3.37Å; F103-R136 HydrophobicContact CD1-CG 4.04Å; F103-R136 HydrophobicContact CE1-CB 3.93Å; F103-R136 HydrophobicContact CE1-CG 3.83Å; F103-R136 HydrophobicContact CZ-CB 4.12Å; F103-R136 HydrophobicContact CZ-CG 4.37Å; F103-L137 HydrophobicContact CE1-CB 3.82Å; F103-L137 HydrophobicContact CE1-CD1 4.26Å; F103-L137 HydrophobicContact CZ-CB 4.02Å |
| 104 | F | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 179 | -172.3 | -103.1 | 0 | 0 | 0 | 111.2 | Y92 C100 K101 R106 S107 I108 L137 C140 L141 M145 S146 V150 | Y92-F104 AromaticContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CD1 3.63Å; Y92-F104 HydrophobicContact CD2-CE1 4.34Å; Y92-F104 HydrophobicContact CD2-CG 4.49Å; Y92-F104 HydrophobicContact CE2-CD1 4.15Å; Y92-F104 AromaticContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CD1 3.9Å; Y92-F104 HydrophobicContact CG-CE1 4.15Å; C100-F104 VanDerWaalsContact O-CB 3.27Å; C100-F104 WeakPolarHBondContact O-CB 3.5Å; C100-F104 PolarHBondContact O-N 3.01Å; K101-F104 PolarHBondContact O-N 2.83Å; F104-R106 PolarHBondContact O-N 2.87Å; F104-S107 PolarHBondContact O-N 2.81Å; F104-S107 VanDerWaalsContact O-N 3.16Å; F104-I108 HydrophobicContact CD1-CG1 4.17Å; F104-I108 HydrophobicContact CD2-CG1 4.34Å; F104-I108 HydrophobicContact CE1-CG1 3.84Å; F104-I108 HydrophobicContact CE2-CD1 4.14Å; F104-I108 HydrophobicContact CE2-CG1 4.04Å; F104-I108 HydrophobicContact CG-CG1 4.42Å; F104-I108 HydrophobicContact CZ-CD1 4.17Å; F104-I108 HydrophobicContact CZ-CG1 3.78Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 3.34Å; F104-L137 HydrophobicContact CD2-CD1 3.93Å; F104-L137 HydrophobicContact CE2-CD1 4.26Å; F104-C140 HydrophobicContact CD2-CB 3.46Å; F104-C140 VanDerWaalsContact CD2-CB 3.46Å; F104-C140 HydrophobicContact CE2-CB 3.94Å; F104-C140 HydrophobicContact CG-CB 4.38Å; F104-L141 HydrophobicContact CE2-CD2 3.74Å; F104-L141 HydrophobicContact CE2-CG 4.3Å; F104-L141 HydrophobicContact CZ-CD2 4.08Å; F104-M145 HydrophobicContact CB-SD 3.74Å; F104-M145 HydrophobicContact CD1-CB 4.05Å; F104-M145 HydrophobicContact CD1-SD 4.12Å; F104-M145 HydrophobicContact CD2-CB 3.96Å; F104-M145 HydrophobicContact CD2-SD 3.9Å; F104-M145 HydrophobicContact CE1-CB 3.73Å; F104-M145 HydrophobicContact CE2-CB 3.62Å; F104-M145 HydrophobicContact CG-CB 4.15Å; F104-M145 HydrophobicContact CG-SD 3.65Å; F104-M145 HydrophobicContact CZ-CB 3.5Å; F104-M145 VanDerWaalsContact CZ-O 3.23Å; F104-M145 WeakPolarHBondContact CZ-O 3.27Å; F104-S146 WeakPolarHBondContact CE1-O 3.27Å; F104-V150 HydrophobicContact CD1-CG2 3.89Å; F104-V150 HydrophobicContact CE1-CG2 3.72Å |
| 105 | R | 95.4 | Very high | 92 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -52.2 | -52.4 | 176.2 | -173.4 | 177.3 | 59.8 | 82.9 | -9.5 | 112.6 | Y92 K101 S107 I108 Q109 V150 | Y92-R105 HydrophobicContact CE2-CB 4.35Å; Y92-R105 WeakPolarHBondContact OH-CB 3.47Å; Y92-R105 WeakPolarHBondContact OH-CD 3.29Å; K101-R105 WeakPolarHBondContact O-CB 3.29Å; K101-R105 PolarHBondContact O-N 2.69Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S107 PolarHBondContact O-N 3.13Å; R105-I108 PolarHBondContact O-N 2.93Å; R105-Q109 HydrophobicContact CG-CG 4.22Å; R105-Q109 VanDerWaalsContact O-CB 3.32Å; R105-Q109 WeakPolarHBondContact O-CB 3.39Å; R105-Q109 VanDerWaalsContact O-CG 3.25Å; R105-Q109 WeakPolarHBondContact O-CG 3.4Å; R105-Q109 PolarHBondContact O-N 2.96Å; R105-V150 HydrophobicContact CG-CG1 3.99Å |
| 106 | R | 94.6 | Very high | 91.8 | Very high | 125 Ų | 125 | 54.5 Ų | 54.5 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | -179.3 | -71.9 | -173.8 | -61.2 | -89.9 | 1.1 | 112.2 | G102 F103 F104 I108 K110 | G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 VanDerWaalsContact O-CZ 3.31Å; G102-R106 PolarHBondContact O-N 3.39Å; G102-R106 VanDerWaalsContact O-N 3.11Å; G102-R106 PolarHBondContact O-NH1 3.09Å; F103-R106 PolarHBondContact O-N 3.46Å; F104-R106 PolarHBondContact O-N 2.87Å; R106-I108 VanDerWaalsContact C-N 3.34Å; R106-K110 WeakPolarHBondContact O-CB 3.45Å; R106-K110 PolarHBondContact O-N 3.45Å; R106-K110 VanDerWaalsContact O-N 3.17Å |
| 107 | S | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | F103 F104 R105 N111 M112 Y114 | F103-S107 WeakPolarHBondContact O-CB 3.18Å; F103-S107 PolarHBondContact O-N 2.71Å; F103-S107 PolarHBondContact O-OG 3.38Å; F104-S107 PolarHBondContact O-N 2.81Å; F104-S107 VanDerWaalsContact O-N 3.16Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S107 PolarHBondContact O-N 3.13Å; S107-N111 PolarHBondContact O-N 3.33Å; S107-M112 PolarHBondContact O-N 3.37Å; S107-Y114 PolarHBondContact OG-OH 2.83Å |
| 108 | I | 90.7 | Very high | 91.3 | Very high | 23 Ų | 23 | 71.9 Ų | 71.9 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.5 | -48.6 | 178.8 | -61.5 | -42.5 | 0 | 0 | 0 | 112 | F104 R105 R106 K110 N111 K147 V150 | F104-I108 HydrophobicContact CD1-CG1 4.17Å; F104-I108 HydrophobicContact CD2-CG1 4.34Å; F104-I108 HydrophobicContact CE1-CG1 3.84Å; F104-I108 HydrophobicContact CE2-CD1 4.14Å; F104-I108 HydrophobicContact CE2-CG1 4.04Å; F104-I108 HydrophobicContact CG-CG1 4.42Å; F104-I108 HydrophobicContact CZ-CD1 4.17Å; F104-I108 HydrophobicContact CZ-CG1 3.78Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 3.34Å; R105-I108 PolarHBondContact O-N 2.93Å; R106-I108 VanDerWaalsContact C-N 3.34Å; I108-K110 VanDerWaalsContact C-N 3.26Å; I108-K110 PolarHBondContact O-N 3.17Å; I108-N111 PolarHBondContact O-N 2.95Å; I108-N111 VanDerWaalsContact O-N 3.13Å; I108-K147 HydrophobicContact CB-CG 4.39Å; I108-K147 HydrophobicContact CD1-CB 4.44Å; I108-K147 HydrophobicContact CD1-CD 4.13Å; I108-K147 HydrophobicContact CD1-CG 3.81Å; I108-K147 HydrophobicContact CG1-CG 4.02Å; I108-K147 HydrophobicContact CG2-CD 4.38Å; I108-K147 HydrophobicContact CG2-CG 3.49Å; I108-K147 VanDerWaalsContact CG2-CG 3.49Å; I108-V150 HydrophobicContact CB-CB 4.22Å; I108-V150 HydrophobicContact CB-CG1 4.18Å; I108-V150 HydrophobicContact CB-CG2 4.07Å; I108-V150 HydrophobicContact CG1-CG2 4.25Å; I108-V150 HydrophobicContact CG2-CB 3.81Å; I108-V150 HydrophobicContact CG2-CG1 4.07Å; I108-V150 HydrophobicContact CG2-CG2 4.06Å |
| 109 | Q | 86.1 | Confident | 91.1 | Very high | 52 Ų | 52 | 74.7 Ų | 74.7 | 24% | 0.243 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -33.6 | -177.3 | -74.2 | -178.5 | -34.2 | 0 | 0 | 113.2 | R105 V150 R151 N152 | R105-Q109 HydrophobicContact CG-CG 4.22Å; R105-Q109 VanDerWaalsContact O-CB 3.32Å; R105-Q109 WeakPolarHBondContact O-CB 3.39Å; R105-Q109 VanDerWaalsContact O-CG 3.25Å; R105-Q109 WeakPolarHBondContact O-CG 3.4Å; R105-Q109 PolarHBondContact O-N 2.96Å; Q109-V150 HydrophobicContact CG-CG1 3.54Å; Q109-R151 PolarHBondContact NE2-O 2.95Å; Q109-N152 WeakPolarHBondContact CB-OD1 3.39Å; Q109-N152 WeakPolarHBondContact CG-OD1 3.4Å |
| 110 | K | 78.8 | Confident | 90.9 | Very high | 157 Ų | 157 | 79.7 Ų | 79.7 | 68% | 0.683 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.1 | -179.9 | -63 | -172 | 174.2 | -167.2 | 0 | 113.6 | R106 I108 M112 | R106-K110 WeakPolarHBondContact O-CB 3.45Å; R106-K110 PolarHBondContact O-N 3.45Å; R106-K110 VanDerWaalsContact O-N 3.17Å; I108-K110 VanDerWaalsContact C-N 3.26Å; I108-K110 PolarHBondContact O-N 3.17Å; K110-M112 HydrophobicContact CB-CG 3.97Å; K110-M112 HydrophobicContact CB-SD 3.82Å; K110-M112 HydrophobicContact CD-SD 4.43Å; K110-M112 PolarHBondContact O-N 3.31Å |
| 111 | N | 76.8 | Confident | 90.7 | Very high | 117 Ų | 117 | 84.5 Ų | 84.5 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 46.7 | -174 | -69.6 | -47.8 | 0 | 0 | 0 | 112.8 | S107 I108 V113 | S107-N111 PolarHBondContact O-N 3.33Å; I108-N111 PolarHBondContact O-N 2.95Å; I108-N111 VanDerWaalsContact O-N 3.13Å; N111-V113 PolarHBondContact O-N 3.25Å |
| 112 | M | 86 | Confident | 90.7 | Very high | 77 Ų | 77 | 83.2 Ų | 83.2 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | trans | -65.5 | 132.4 | -176.2 | -63.4 | -62.2 | -54.9 | 0 | 0 | 111 | S107 K110 Y114 | S107-M112 PolarHBondContact O-N 3.37Å; K110-M112 HydrophobicContact CB-CG 3.97Å; K110-M112 HydrophobicContact CB-SD 3.82Å; K110-M112 HydrophobicContact CD-SD 4.43Å; K110-M112 PolarHBondContact O-N 3.31Å; M112-Y114 HydrophobicContact CB-CE1 4.14Å; M112-Y114 HydrophobicContact CB-CE2 3.88Å; M112-Y114 HydrophobicContact CE-CE1 3.9Å | ||
| 113 | V | 84.1 | Confident | 90.7 | Very high | 133 Ų | 133 | 89.2 Ų | 89.2 | 81% | 0.806 | 42% | 0.424 | S | S | * | . | trans | -107.8 | 122.8 | 169.4 | -176.7 | 0 | 0 | 0 | 0 | 108 | N111 | N111-V113 PolarHBondContact O-N 3.25Š| ||
| 114 | Y | 89.1 | Confident | 90.7 | Very high | 33 Ų | 33 | 89.7 Ų | 89.7 | 13% | 0.129 | 43% | 0.427 | C | S | . | . | trans | -111.2 | 151.1 | 178.9 | -61 | -59.2 | 0 | 0 | 0 | 110.5 | F103 S107 M112 Q133 Y134 L137 | F103-Y114 AromaticContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CE2-CE2 3.97Å; F103-Y114 HydrophobicContact CZ-CD2 4.33Å; F103-Y114 AromaticContact CZ-CE2 3.73Å; F103-Y114 HydrophobicContact CZ-CE2 3.73Å; S107-Y114 PolarHBondContact OG-OH 2.83Å; M112-Y114 HydrophobicContact CB-CE1 4.14Å; M112-Y114 HydrophobicContact CB-CE2 3.88Å; M112-Y114 HydrophobicContact CE-CE1 3.9Å; Y114-Q133 HydrophobicContact CD1-CB 3.59Å; Y114-Q133 HydrophobicContact CD1-CG 4.39Å; Y114-Q133 VanDerWaalsContact CD1-OE1 3.26Å; Y114-Q133 HydrophobicContact CD2-CB 3.84Å; Y114-Q133 HydrophobicContact CE1-CB 3.87Å; Y114-Q133 HydrophobicContact CE1-CG 4.32Å; Y114-Q133 VanDerWaalsContact CE1-OE1 3.23Å; Y114-Q133 HydrophobicContact CE2-CB 4.09Å; Y114-Q133 HydrophobicContact CG-CB 3.58Å; Y114-Y134 WeakPolarHBondContact O-CD2 3.39Å; Y114-L137 HydrophobicContact CD2-CB 4.21Å; Y114-L137 HydrophobicContact CD2-CD2 3.85Å; Y114-L137 HydrophobicContact CE2-CB 4.49Å; Y114-L137 HydrophobicContact CE2-CD2 4.01Å | ||
| 115 | T | 85.6 | Confident | 90.6 | Very high | 102 Ų | 102 | 92.5 Ų | 92.5 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | trans | -114.6 | 136.4 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 116 | C | 92.2 | Very high | 90.7 | Very high | 15 Ų | 15 | 93.7 Ų | 93.7 | 10% | 0.101 | 45% | 0.45 | C | S | . | . | trans | -90.8 | 130.8 | 168.8 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | R118 K120 Y134 | C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact SG-N 3.48Å; C116-K120 HydrophobicContact CB-CG 3.83Å; C116-Y134 HydrophobicContact CB-CD1 3.63Å; C116-Y134 HydrophobicContact CB-CE1 4.39Å; C116-Y134 HydrophobicContact CB-CG 4.01Å | ||
| 117 | H | 91.9 | Very high | 90.7 | Very high | 177 Ų | 177 | 93.3 Ų | 93.3 | 82% | 0.819 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -94.8 | 20.2 | 175.7 | -60.2 | -77.7 | 0 | 0 | 0 | 113 | ||
| 118 | R | 93.3 | Very high | 90.9 | Very high | 192 Ų | 192 | 94.1 Ų | 94.1 | 73% | 0.725 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -135.4 | -157.6 | 175.7 | -57.1 | -173.1 | -175.2 | -154.2 | -3.6 | 108 | C116 K120 | C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact SG-N 3.48Å; R118-K120 PolarHBondContact O-N 3.17Å; R118-K120 VanDerWaalsContact O-N 3.1Å |
| 119 | E | 92.2 | Very high | 91.2 | Very high | 160 Ų | 160 | 95.1 Ų | 95.1 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -83.5 | 26.4 | -177.2 | -60.5 | 166.8 | -175.9 | 0 | 0 | 114.4 | N121 | E119-N121 PolarHBondContact O-N 3.34Å; E119-N121 PolarHBondContact OE2-ND2 3.1Å; E119-N121 VanDerWaalsContact OE2-ND2 3.1Å |
| 120 | K | 93.3 | Very high | 91.6 | Very high | 135 Ų | 135 | 98.3 Ų | 98.3 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 57.3 | 13.3 | 179.9 | -64.8 | 177.8 | 176.2 | 178.2 | 0 | 115.7 | C116 R118 Y134 C135 | C116-K120 HydrophobicContact CB-CG 3.83Å; R118-K120 PolarHBondContact O-N 3.17Å; R118-K120 VanDerWaalsContact O-N 3.1Å; K120-Y134 HydrophobicContact CB-CD1 4.41Å; K120-Y134 HydrophobicContact CB-CE1 3.77Å; K120-Y134 HydrophobicContact CD-CE1 3.75Å; K120-Y134 HydrophobicContact CG-CD1 4.1Å; K120-Y134 HydrophobicContact CG-CE1 3.51Å; K120-C135 PolarHBondContact O-SG 3.35Å |
| 121 | N | 94.1 | Very high | 92.5 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | trans | -112.5 | 23.9 | -176.9 | 60.4 | 2.4 | 0 | 0 | 0 | 113.7 | E119 I123 | E119-N121 PolarHBondContact O-N 3.34Å; E119-N121 PolarHBondContact OE2-ND2 3.1Å; E119-N121 VanDerWaalsContact OE2-ND2 3.1Å; N121-I123 PolarHBondContact O-N 2.94Å | ||
| 122 | C | 96.4 | Very high | 93.4 | Very high | 27 Ų | 27 | 94.8 Ų | 94.8 | 18% | 0.182 | 46% | 0.463 | C | S | . | . | trans | -63.1 | 127.8 | -175.7 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | I124 C132 C135 | C122-I124 PolarHBondContact O-N 3.22Å; C122-C132 HydrophobicContact CB-CB 3.97Å; C122-C135 HydrophobicContact CB-CB 3.79Å; C122-C135 PolarHBondContact N-SG 3.49Å | ||
| 123 | I | 96.3 | Very high | 93.9 | Very high | 136 Ų | 136 | 96 Ų | 96 | 70% | 0.697 | 47% | 0.468 | S | S | * | . | trans | -65 | 125.4 | 176.3 | -60.1 | 172.6 | 0 | 0 | 0 | 110.7 | N121 T128 | N121-I123 PolarHBondContact O-N 2.94Å; I123-T128 WeakPolarHBondContact O-CB 3.39Å; I123-T128 PolarHBondContact O-OG1 3.11Å | ||
| 124 | I | 98 | Very high | 94.6 | Very high | 22 Ų | 22 | 92.4 Ų | 92.4 | 11% | 0.113 | 44% | 0.44 | C | S | . | . | trans | -104.9 | 108 | 178.2 | -53.1 | -57.5 | 0 | 0 | 0 | 110.1 | V82 C83 C122 R129 C135 R136 K139 | V82-I124 HydrophobicContact CG1-CG2 4.15Å; V82-I124 VanDerWaalsContact O-CG2 3.31Å; V82-I124 WeakPolarHBondContact O-CG2 3.24Å; C83-I124 HydrophobicContact CB-CG2 4.11Å; C122-I124 PolarHBondContact O-N 3.22Å; I124-R129 HydrophobicContact CG2-CB 3.88Å; I124-C135 HydrophobicContact CD1-CB 4.06Å; I124-C135 HydrophobicContact CG1-CB 4.48Å; I124-R136 HydrophobicContact CD1-CB 4.03Å; I124-R136 HydrophobicContact CG2-CG 4.11Å; I124-K139 HydrophobicContact CG1-CB 4.29Å | ||
| 125 | N | 96.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 91.2 Ų | 91.2 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | trans | -134.6 | 179 | 172.3 | 66 | 44.9 | 0 | 0 | 0 | 110.8 | C83 V127 T128 R129 | C83-N125 CarbonylContact O-C 3.55Å; C83-N125 WeakPolarHBondContact O-CA 3.47Å; N125-V127 PolarHBondContact O-N 2.9Å; N125-V127 VanDerWaalsContact O-N 3.08Å; N125-V127 PolarHBondContact OD1-N 3.02Å; N125-T128 VanDerWaalsContact CG-OG1 3.23Å; N125-T128 PolarHBondContact N-OG1 3.35Å; N125-T128 PolarHBondContact ND2-OG1 3.14Å; N125-T128 PolarHBondContact O-N 3.41Å; N125-T128 PolarHBondContact OD1-N 3.4Å; N125-T128 PolarHBondContact OD1-OG1 3.27Å; N125-T128 VanDerWaalsContact OD1-OG1 3.1Å; N125-R129 WeakPolarHBondContact O-CB 3.34Å; N125-R129 PolarHBondContact O-N 2.92Å | ||
| 126 | K | 95.7 | Very high | 95.5 | Very high | 125 Ų | 125 | 86.9 Ų | 86.9 | 54% | 0.543 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -37.7 | -178.5 | -176.2 | 173.5 | -177 | 152.3 | 0 | 113.6 | C83 D85 | C83-K126 PolarHBondContact O-N 3.4Å; D85-K126 HydrophobicContact CB-CB 4.41Å; D85-K126 HydrophobicContact CB-CD 4.37Å; D85-K126 HydrophobicContact CB-CG 4.3Å; D85-K126 WeakPolarHBondContact OD1-CD 3.11Å; D85-K126 VanDerWaalsContact OD1-CE 3.25Å; D85-K126 WeakPolarHBondContact OD1-CE 3.34Å; D85-K126 IonicContact OD1-NZ 2.83Å; D85-K126 PolarHBondContact OD1-NZ 3.26Å |
| 127 | V | 96.4 | Very high | 95.8 | Very high | 116 Ų | 116 | 87 Ų | 87 | 70% | 0.703 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -41.4 | -176.9 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | N125 | N125-V127 PolarHBondContact O-N 2.9Å; N125-V127 VanDerWaalsContact O-N 3.08Å; N125-V127 PolarHBondContact OD1-N 3.02Å |
| 128 | T | 95.9 | Very high | 96 | Very high | 18 Ų | 18 | 82 Ų | 82 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -9.2 | -170.5 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | I123 N125 N130 R131 | I123-T128 WeakPolarHBondContact O-CB 3.39Å; I123-T128 PolarHBondContact O-OG1 3.11Å; N125-T128 VanDerWaalsContact CG-OG1 3.23Å; N125-T128 PolarHBondContact N-OG1 3.35Å; N125-T128 PolarHBondContact ND2-OG1 3.14Å; N125-T128 PolarHBondContact O-N 3.41Å; N125-T128 PolarHBondContact OD1-N 3.4Å; N125-T128 PolarHBondContact OD1-OG1 3.27Å; N125-T128 VanDerWaalsContact OD1-OG1 3.1Å; T128-N130 PolarHBondContact O-N 3.19Å; T128-R131 WeakPolarHBondContact O-CB 3.28Å; T128-R131 WeakPolarHBondContact O-CG 3.45Å; T128-R131 PolarHBondContact O-N 3.48Å |
| 129 | R | 96.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 76.5 Ų | 76.5 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -18.7 | -172.8 | 64 | -170.9 | -171 | -170 | -5.9 | 116 | C83 D85 C97 I124 N125 R136 | C83-R129 HydrophobicContact CB-CB 4.26Å; C83-R129 PolarHBondContact SG-NH1 2.69Å; D85-R129 IonicContact OD2-CZ 3.72Å; D85-R129 IonicContact OD2-NH1 2.83Å; D85-R129 PolarHBondContact OD2-NH1 2.88Å; D85-R129 IonicContact OD2-NH2 3.42Å; C97-R129 PolarHBondContact SG-NH1 3.29Å; C97-R129 VanDerWaalsContact SG-NH1 3.4Å; I124-R129 HydrophobicContact CG2-CB 3.88Å; N125-R129 WeakPolarHBondContact O-CB 3.34Å; N125-R129 PolarHBondContact O-N 2.92Å; R129-R136 VanDerWaalsContact CD-NH2 3.32Å; R129-R136 WeakPolarHBondContact O-CD 3.41Å; R129-R136 PolarHBondContact O-NH1 2.97Å; R129-R136 VanDerWaalsContact O-NH1 3.14Å |
| 130 | N | 95.8 | Very high | 96.5 | Very high | 120 Ų | 120 | 68.9 Ų | 68.9 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -8.4 | 177.1 | -64 | -31 | 0 | 0 | 0 | 113.7 | T128 R136 | T128-N130 PolarHBondContact O-N 3.19Å; N130-R136 PolarHBondContact OD1-NH1 2.97Å |
| 131 | R | 96.2 | Very high | 96.6 | Very high | 186 Ų | 186 | 65.9 Ų | 65.9 | 70% | 0.702 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -71.8 | -29.6 | -174.5 | -65.3 | -178.3 | -178.7 | -179.6 | -1.9 | 113.6 | T128 | T128-R131 WeakPolarHBondContact O-CB 3.28Å; T128-R131 WeakPolarHBondContact O-CG 3.45Å; T128-R131 PolarHBondContact O-N 3.48Å |
| 132 | C | 96.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 67 Ų | 67 | 10% | 0.095 | 32% | 0.323 | C | S | . | . | trans | -144.2 | 109.9 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | C122 C135 R136 | C122-C132 HydrophobicContact CB-CB 3.97Å; C132-C135 HydrophobicContact CB-CB 4.31Å; C132-C135 PolarHBondContact SG-N 3.05Å; C132-C135 VanDerWaalsContact SG-SG 3.67Å; C132-R136 WeakPolarHBondContact O-CB 3.42Å; C132-R136 PolarHBondContact O-N 2.85Å | ||
| 133 | Q | 96.1 | Very high | 96.6 | Very high | 103 Ų | 103 | 67.5 Ų | 67.5 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.5 | -34.2 | -179.5 | -65.2 | 170.6 | -34.1 | 0 | 0 | 111.7 | F103 Y114 R136 L137 | F103-Q133 HydrophobicContact CE2-CB 4.14Å; F103-Q133 HydrophobicContact CE2-CG 4.17Å; F103-Q133 HydrophobicContact CZ-CB 4.18Å; F103-Q133 WeakPolarHBondContact CZ-O 3.37Å; Y114-Q133 HydrophobicContact CD1-CB 3.59Å; Y114-Q133 HydrophobicContact CD1-CG 4.39Å; Y114-Q133 VanDerWaalsContact CD1-OE1 3.26Å; Y114-Q133 HydrophobicContact CD2-CB 3.84Å; Y114-Q133 HydrophobicContact CE1-CB 3.87Å; Y114-Q133 HydrophobicContact CE1-CG 4.32Å; Y114-Q133 VanDerWaalsContact CE1-OE1 3.23Å; Y114-Q133 HydrophobicContact CE2-CB 4.09Å; Y114-Q133 HydrophobicContact CG-CB 3.58Å; Q133-R136 PolarHBondContact O-N 3.42Å; Q133-L137 WeakPolarHBondContact O-CB 3.43Å; Q133-L137 PolarHBondContact O-N 3.36Å |
| 134 | Y | 97.8 | Very high | 96.5 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -59 | 175.4 | 175.2 | -93.1 | 0 | 0 | 0 | 111.6 | Y114 C116 K120 R136 L137 Q138 | Y114-Y134 WeakPolarHBondContact O-CD2 3.39Å; C116-Y134 HydrophobicContact CB-CD1 3.63Å; C116-Y134 HydrophobicContact CB-CE1 4.39Å; C116-Y134 HydrophobicContact CB-CG 4.01Å; K120-Y134 HydrophobicContact CB-CD1 4.41Å; K120-Y134 HydrophobicContact CB-CE1 3.77Å; K120-Y134 HydrophobicContact CD-CE1 3.75Å; K120-Y134 HydrophobicContact CG-CD1 4.1Å; K120-Y134 HydrophobicContact CG-CE1 3.51Å; Y134-R136 PolarHBondContact O-N 3.46Å; Y134-L137 PolarHBondContact O-N 3.19Å; Y134-L137 VanDerWaalsContact O-N 3.14Å; Y134-Q138 HydrophobicContact CD1-CG 4.25Å; Y134-Q138 HydrophobicContact CD2-CG 4.48Å; Y134-Q138 HydrophobicContact CE1-CG 3.84Å; Y134-Q138 HydrophobicContact CE2-CG 4.13Å; Y134-Q138 WeakPolarHBondContact O-CG 3.38Å; Y134-Q138 PolarHBondContact O-N 3.14Å |
| 135 | C | 97 | Very high | 96.5 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.054 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -31.1 | -179 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | K120 C122 I124 C132 K139 | K120-C135 PolarHBondContact O-SG 3.35Å; C122-C135 HydrophobicContact CB-CB 3.79Å; C122-C135 PolarHBondContact N-SG 3.49Å; I124-C135 HydrophobicContact CD1-CB 4.06Å; I124-C135 HydrophobicContact CG1-CB 4.48Å; C132-C135 HydrophobicContact CB-CB 4.31Å; C132-C135 PolarHBondContact SG-N 3.05Å; C132-C135 VanDerWaalsContact SG-SG 3.67Å; C135-K139 VanDerWaalsContact O-CB 3.28Å; C135-K139 WeakPolarHBondContact O-CB 3.38Å; C135-K139 PolarHBondContact O-N 2.94Å |
| 136 | R | 98.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 61 Ų | 61 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 174.5 | -164.9 | -166.1 | -166.8 | 158.5 | -6.4 | 112.3 | V82 F103 I124 R129 N130 C132 Q133 Y134 K139 C140 | V82-R136 HydrophobicContact CG1-CG 4.48Å; F103-R136 HydrophobicContact CD1-CG 4.04Å; F103-R136 HydrophobicContact CE1-CB 3.93Å; F103-R136 HydrophobicContact CE1-CG 3.83Å; F103-R136 HydrophobicContact CZ-CB 4.12Å; F103-R136 HydrophobicContact CZ-CG 4.37Å; I124-R136 HydrophobicContact CD1-CB 4.03Å; I124-R136 HydrophobicContact CG2-CG 4.11Å; R129-R136 VanDerWaalsContact CD-NH2 3.32Å; R129-R136 WeakPolarHBondContact O-CD 3.41Å; R129-R136 PolarHBondContact O-NH1 2.97Å; R129-R136 VanDerWaalsContact O-NH1 3.14Å; N130-R136 PolarHBondContact OD1-NH1 2.97Å; C132-R136 WeakPolarHBondContact O-CB 3.42Å; C132-R136 PolarHBondContact O-N 2.85Å; Q133-R136 PolarHBondContact O-N 3.42Å; Y134-R136 PolarHBondContact O-N 3.46Å; R136-K139 PolarHBondContact O-N 3.36Å; R136-C140 PolarHBondContact O-N 3.33Å; R136-C140 PolarHBondContact O-SG 3.19Å |
| 137 | L | 97.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 178.5 | -177.1 | 60 | 0 | 0 | 0 | 111.2 | F103 F104 Y114 Q133 Y134 K139 C140 L141 | F103-L137 HydrophobicContact CE1-CB 3.82Å; F103-L137 HydrophobicContact CE1-CD1 4.26Å; F103-L137 HydrophobicContact CZ-CB 4.02Å; F104-L137 HydrophobicContact CD2-CD1 3.93Å; F104-L137 HydrophobicContact CE2-CD1 4.26Å; Y114-L137 HydrophobicContact CD2-CB 4.21Å; Y114-L137 HydrophobicContact CD2-CD2 3.85Å; Y114-L137 HydrophobicContact CE2-CB 4.49Å; Y114-L137 HydrophobicContact CE2-CD2 4.01Å; Q133-L137 WeakPolarHBondContact O-CB 3.43Å; Q133-L137 PolarHBondContact O-N 3.36Å; Y134-L137 PolarHBondContact O-N 3.19Å; Y134-L137 VanDerWaalsContact O-N 3.14Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 3.1Å; L137-C140 WeakPolarHBondContact O-CB 3.23Å; L137-C140 PolarHBondContact O-N 3.31Å; L137-L141 PolarHBondContact O-N 2.67Å; L137-L141 VanDerWaalsContact O-N 3.14Å |
| 138 | Q | 97.2 | Very high | 95.3 | Very high | 70 Ų | 70 | 61.7 Ų | 61.7 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 171.8 | -70.1 | -58.6 | -39.3 | 0 | 0 | 111 | Y134 C140 L141 E142 | Y134-Q138 HydrophobicContact CD1-CG 4.25Å; Y134-Q138 HydrophobicContact CD2-CG 4.48Å; Y134-Q138 HydrophobicContact CE1-CG 3.84Å; Y134-Q138 HydrophobicContact CE2-CG 4.13Å; Y134-Q138 WeakPolarHBondContact O-CG 3.38Å; Y134-Q138 PolarHBondContact O-N 3.14Å; Q138-C140 VanDerWaalsContact C-N 3.29Å; Q138-C140 PolarHBondContact O-N 3.16Å; Q138-L141 PolarHBondContact O-N 3.47Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.43Å |
| 139 | K | 97.7 | Very high | 94.7 | Very high | 77 Ų | 77 | 63.8 Ų | 63.8 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | 176.3 | -160.3 | 76.1 | -156.4 | 157.2 | 0 | 112.9 | V82 I124 C135 R136 L137 L141 E142 V143 | V82-K139 HydrophobicContact CG1-CB 4.29Å; V82-K139 HydrophobicContact CG1-CG 4.29Å; I124-K139 HydrophobicContact CG1-CB 4.29Å; C135-K139 VanDerWaalsContact O-CB 3.28Å; C135-K139 WeakPolarHBondContact O-CB 3.38Å; C135-K139 PolarHBondContact O-N 2.94Å; R136-K139 PolarHBondContact O-N 3.36Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 3.1Å; K139-L141 VanDerWaalsContact C-N 3.35Å; K139-E142 WeakPolarHBondContact CD-OE2 3.2Å; K139-E142 IonicContact NZ-OE2 2.84Å; K139-E142 PolarHBondContact NZ-OE2 2.88Å; K139-V143 WeakPolarHBondContact O-CG1 3.39Å; K139-V143 WeakPolarHBondContact O-CG2 3.43Å; K139-V143 PolarHBondContact O-N 2.93Å; K139-V143 VanDerWaalsContact O-N 3.13Å |
| 140 | C | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 173.8 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | V82 F104 R136 L137 Q138 V143 M145 | V82-C140 HydrophobicContact CG2-CB 4.48Å; F104-C140 HydrophobicContact CD2-CB 3.46Å; F104-C140 VanDerWaalsContact CD2-CB 3.46Å; F104-C140 HydrophobicContact CE2-CB 3.94Å; F104-C140 HydrophobicContact CG-CB 4.38Å; R136-C140 PolarHBondContact O-N 3.33Å; R136-C140 PolarHBondContact O-SG 3.19Å; L137-C140 WeakPolarHBondContact O-CB 3.23Å; L137-C140 PolarHBondContact O-N 3.31Å; Q138-C140 VanDerWaalsContact C-N 3.29Å; Q138-C140 PolarHBondContact O-N 3.16Å; C140-V143 WeakPolarHBondContact O-CG2 3.21Å; C140-M145 HydrophobicContact CB-CB 4.32Å; C140-M145 HydrophobicContact CB-CG 4.21Å; C140-M145 HydrophobicContact CB-SD 3.65Å; C140-M145 WeakPolarHBondContact O-CB 3.25Å; C140-M145 WeakPolarHBondContact O-CG 3.34Å; C140-M145 PolarHBondContact O-N 2.88Å |
| 141 | L | 95.7 | Very high | 93.4 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 178.7 | -64.2 | 170 | 0 | 0 | 0 | 111.5 | F104 L137 Q138 K139 V143 G144 | F104-L141 HydrophobicContact CE2-CD2 3.74Å; F104-L141 HydrophobicContact CE2-CG 4.3Å; F104-L141 HydrophobicContact CZ-CD2 4.08Å; L137-L141 PolarHBondContact O-N 2.67Å; L137-L141 VanDerWaalsContact O-N 3.14Å; Q138-L141 PolarHBondContact O-N 3.47Å; K139-L141 VanDerWaalsContact C-N 3.35Å; L141-V143 VanDerWaalsContact C-N 3.3Å; L141-V143 PolarHBondContact O-N 3.17Å; L141-G144 WeakPolarHBondContact O-CA 3.41Å; L141-G144 PolarHBondContact O-N 2.89Å |
| 142 | E | 95.6 | Very high | 91.6 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 58% | 0.584 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.6 | -39.5 | 178.1 | -76 | 171.4 | -157.6 | 0 | 0 | 113 | Q138 K139 G144 | Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.43Å; K139-E142 WeakPolarHBondContact CD-OE2 3.2Å; K139-E142 IonicContact NZ-OE2 2.84Å; K139-E142 PolarHBondContact NZ-OE2 2.88Å; E142-G144 PolarHBondContact O-N 3.49Å |
| 143 | V | 95.3 | Very high | 89.4 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4.1 | 178.2 | -57.3 | 0 | 0 | 0 | 0 | 113 | F81 V82 V94 K139 C140 L141 M145 | F81-V143 HydrophobicContact CB-CB 4.11Å; F81-V143 HydrophobicContact CB-CG1 4.13Å; F81-V143 HydrophobicContact CB-CG2 4.37Å; V82-V143 HydrophobicContact CG2-CG2 3.65Å; V94-V143 HydrophobicContact CG1-CG2 4.5Å; V94-V143 WeakPolarHBondContact CG1-O 3.36Å; V94-V143 HydrophobicContact CG2-CG2 4.24Å; K139-V143 WeakPolarHBondContact O-CG1 3.39Å; K139-V143 WeakPolarHBondContact O-CG2 3.43Å; K139-V143 PolarHBondContact O-N 2.93Å; K139-V143 VanDerWaalsContact O-N 3.13Å; C140-V143 WeakPolarHBondContact O-CG2 3.21Å; L141-V143 VanDerWaalsContact C-N 3.3Å; L141-V143 PolarHBondContact O-N 3.17Å; V143-M145 HydrophobicContact CG2-CG 4.49Å |
| 144 | G | 93.2 | Very high | 87.2 | Confident | 43 Ų | 43 | 75 Ų | 75 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | 23.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V94 L141 E142 S146 | V94-G144 VanDerWaalsContact CG1-C 3.41Å; V94-G144 WeakPolarHBondContact CG1-O 3.43Å; L141-G144 WeakPolarHBondContact O-CA 3.41Å; L141-G144 PolarHBondContact O-N 2.89Å; E142-G144 PolarHBondContact O-N 3.49Å; G144-S146 PolarHBondContact O-N 3.44Å |
| 145 | M | 97 | Very high | 84.6 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | trans | -65 | 116.2 | 169.9 | -71.1 | -169.2 | 167.8 | 0 | 0 | 110.2 | V82 Y92 V94 A96 C100 F104 C140 V143 K147 | V82-M145 HydrophobicContact CG2-CE 3.83Å; V82-M145 HydrophobicContact CG2-SD 4.41Å; Y92-M145 CarbonylContact O-C 3.52Å; Y92-M145 WeakPolarHBondContact O-CA 3.18Å; V94-M145 HydrophobicContact CG2-CE 3.54Å; V94-M145 HydrophobicContact CG2-CG 3.37Å; V94-M145 HydrophobicContact CG2-SD 4.36Å; A96-M145 HydrophobicContact CB-CE 3.32Å; C100-M145 HydrophobicContact CB-CE 4.36Å; F104-M145 HydrophobicContact CB-SD 3.74Å; F104-M145 HydrophobicContact CD1-CB 4.05Å; F104-M145 HydrophobicContact CD1-SD 4.12Å; F104-M145 HydrophobicContact CD2-CB 3.96Å; F104-M145 HydrophobicContact CD2-SD 3.9Å; F104-M145 HydrophobicContact CE1-CB 3.73Å; F104-M145 HydrophobicContact CE2-CB 3.62Å; F104-M145 HydrophobicContact CG-CB 4.15Å; F104-M145 HydrophobicContact CG-SD 3.65Å; F104-M145 HydrophobicContact CZ-CB 3.5Å; F104-M145 VanDerWaalsContact CZ-O 3.23Å; F104-M145 WeakPolarHBondContact CZ-O 3.27Å; C140-M145 HydrophobicContact CB-CB 4.32Å; C140-M145 HydrophobicContact CB-CG 4.21Å; C140-M145 HydrophobicContact CB-SD 3.65Å; C140-M145 WeakPolarHBondContact O-CB 3.25Å; C140-M145 WeakPolarHBondContact O-CG 3.34Å; C140-M145 PolarHBondContact O-N 2.88Å; V143-M145 HydrophobicContact CG2-CG 4.49Å; M145-K147 PolarHBondContact O-N 3.43Å | ||
| 146 | S | 91.8 | Very high | 82.2 | Confident | 32 Ų | 32 | 89.8 Ų | 89.8 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | trans | -74.2 | 119.3 | -179.6 | 162.4 | 0 | 0 | 0 | 0 | 111.2 | Y92 F104 G144 E148 S149 | Y92-S146 PolarHBondContact O-N 3.28Å; F104-S146 WeakPolarHBondContact CE1-O 3.27Å; G144-S146 PolarHBondContact O-N 3.44Å; S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 PolarHBondContact O-N 3.42Å; S146-E148 PolarHBondContact OG-N 3.13Å; S146-E148 PolarHBondContact OG-OE2 3.21Å; S146-S149 WeakPolarHBondContact CB-OG 3.32Å; S146-S149 PolarHBondContact O-N 3.44Å; S146-S149 PolarHBondContact OG-N 3.24Å; S146-S149 PolarHBondContact OG-OG 2.74Å | ||
| 147 | K | 88.4 | Confident | 79.6 | Confident | 101 Ų | 101 | 98.7 Ų | 98.7 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -63.7 | -35.9 | 175 | -176.6 | 178.6 | 178.7 | -176.1 | 0 | 111.1 | I108 M145 S149 V150 | I108-K147 HydrophobicContact CB-CG 4.39Å; I108-K147 HydrophobicContact CD1-CB 4.44Å; I108-K147 HydrophobicContact CD1-CD 4.13Å; I108-K147 HydrophobicContact CD1-CG 3.81Å; I108-K147 HydrophobicContact CG1-CG 4.02Å; I108-K147 HydrophobicContact CG2-CD 4.38Å; I108-K147 HydrophobicContact CG2-CG 3.49Å; I108-K147 VanDerWaalsContact CG2-CG 3.49Å; M145-K147 PolarHBondContact O-N 3.43Å; K147-S149 PolarHBondContact O-N 3.24Å; K147-V150 WeakPolarHBondContact O-CB 3.5Å; K147-V150 PolarHBondContact O-N 3.08Å |
| 148 | E | 83.5 | Confident | 76.9 | Confident | 154 Ų | 154 | 107.9 Ų | 107.9 | 72% | 0.72 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -26.2 | -177.5 | -51.6 | 69 | -142.9 | 0 | 0 | 111.7 | S146 V150 | S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 PolarHBondContact O-N 3.42Å; S146-E148 PolarHBondContact OG-N 3.13Å; S146-E148 PolarHBondContact OG-OE2 3.21Å; E148-V150 PolarHBondContact O-N 2.7Å |
| 149 | S | 84.9 | Confident | 74.2 | Confident | 62 Ų | 62 | 113.9 Ų | 113.9 | 43% | 0.434 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7.7 | 177 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | S146 K147 R151 | S146-S149 WeakPolarHBondContact CB-OG 3.32Å; S146-S149 PolarHBondContact O-N 3.44Å; S146-S149 PolarHBondContact OG-N 3.24Å; S146-S149 PolarHBondContact OG-OG 2.74Å; K147-S149 PolarHBondContact O-N 3.24Å; S149-R151 PolarHBondContact O-N 3.1Å |
| 150 | V | 84.7 | Confident | 71.9 | Confident | 17 Ų | 17 | 118 Ų | 118 | 10% | 0.103 | 56% | 0.564 | C | S | . | * | trans | -88.9 | 94.5 | 178.9 | -176 | 0 | 0 | 0 | 0 | 109.8 | Y92 F104 R105 I108 Q109 K147 E148 | Y92-V150 HydrophobicContact CD1-CG2 3.71Å; Y92-V150 HydrophobicContact CE1-CB 4.34Å; Y92-V150 HydrophobicContact CE1-CG2 3.62Å; Y92-V150 HydrophobicContact CG-CG2 4.31Å; F104-V150 HydrophobicContact CD1-CG2 3.89Å; F104-V150 HydrophobicContact CE1-CG2 3.72Å; R105-V150 HydrophobicContact CG-CG1 3.99Å; I108-V150 HydrophobicContact CB-CB 4.22Å; I108-V150 HydrophobicContact CB-CG1 4.18Å; I108-V150 HydrophobicContact CB-CG2 4.07Å; I108-V150 HydrophobicContact CG1-CG2 4.25Å; I108-V150 HydrophobicContact CG2-CB 3.81Å; I108-V150 HydrophobicContact CG2-CG1 4.07Å; I108-V150 HydrophobicContact CG2-CG2 4.06Å; Q109-V150 HydrophobicContact CG-CG1 3.54Å; K147-V150 WeakPolarHBondContact O-CB 3.5Å; K147-V150 PolarHBondContact O-N 3.08Å; E148-V150 PolarHBondContact O-N 2.7Å | ||
| 151 | R | 79.1 | Confident | 69.2 | Low | 200 Ų | 200 | 126.9 Ų | 126.9 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | -69.2 | 139.4 | 175.7 | -61.3 | -177.3 | -179.1 | 155 | 0.6 | 111.6 | Q109 S149 D153 | Q109-R151 PolarHBondContact NE2-O 2.95Å; S149-R151 PolarHBondContact O-N 3.1Å; R151-D153 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 152 | N | 59.5 | Low | 66.6 | Low | 120 Ų | 120 | 133.1 Ų | 133.1 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | trans | -103.2 | 60.5 | 179.9 | -139.3 | 20.8 | 0 | 0 | 0 | 110.2 | Q109 R154 | Q109-N152 WeakPolarHBondContact CB-OD1 3.39Å; Q109-N152 WeakPolarHBondContact CG-OD1 3.4Å; N152-R154 PolarHBondContact O-N 3.31Å | ||
| 153 | D | 50 | Low | 64.1 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | trans | -95.9 | 96.4 | -171.4 | -72.6 | -41.9 | 0 | 0 | 0 | 112.7 | R151 | R151-D153 WeakPolarHBondContact CB-OD2 3.43Š| ||
| 154 | R | 50.5 | Low | 61.5 | Low | 241 Ų | 241 | 143.4 Ų | 143.4 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | trans | -145.6 | 80.4 | 140.2 | -91.6 | -169.8 | 174.4 | -178.2 | -3.2 | 108.4 | N152 | N152-R154 PolarHBondContact O-N 3.31Š| ||
| 155 | N | 41.8 | Very low | 59 | Low | 168 Ų | 168 | 149.1 Ų | 149.1 | 90% | 0.898 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -160.6 | 133.3 | 138.6 | -95.5 | -11.9 | 0 | 0 | 0 | 110.4 | ||
| 156 | K | 47.3 | Very low | 56.1 | Low | 205 Ų | 205 | 154.6 Ų | 154.6 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | trans | -89.2 | 119.4 | -165 | -148.7 | 178.4 | -173.7 | -177.9 | 0 | 109.3 | ||||
| 157 | K | 42.5 | Very low | 53.7 | Low | 199 Ų | 199 | 157.6 Ų | 157.6 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | trans | 38.7 | 105.6 | 154.3 | -72.1 | -177 | 171.3 | -176.2 | 0 | 118.5 | ||||
| 158 | K | 40.8 | Very low | 51.8 | Low | 212 Ų | 212 | 157 Ų | 157 | 92% | 0.922 | 74% | 0.74 | S | S | * | * | -119.3 | 128.4 | 129.9 | -119.1 | 179.1 | -179 | -179.4 | 0 | 107.8 | |||||
| 159 | K | 42 | Very low | 50 | Low | 196 Ų | 196 | 153.3 Ų | 153.3 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | trans | -1.2 | 134 | 170.4 | -149.2 | 169.9 | 176.1 | -177.1 | 0 | 118.4 | E161 | K159-E161 PolarHBondContact O-N 3.01Š| ||
| 160 | D | 47.7 | Very low | 49 | Very low | 163 Ų | 163 | 153.6 Ų | 153.6 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | -36.8 | 113.2 | 172.8 | -79.8 | -66.9 | 0 | 0 | 0 | 114.3 | ||||
| 161 | E | 42.3 | Very low | 48.2 | Very low | 187 Ų | 187 | 158.2 Ų | 158.2 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -124.5 | 135 | 148.6 | -72.8 | -174.9 | 164 | 0 | 0 | 107.6 | K159 | K159-E161 PolarHBondContact O-N 3.01Š| ||
| 162 | K | 39.8 | Very low | 48 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -45.6 | 146.3 | -172.2 | -74.5 | 168.8 | 172.3 | 172.7 | 0 | 111.9 | Q164 | K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.44Å | ||
| 163 | K | 44.2 | Very low | 49.3 | Very low | 220 Ų | 220 | 145.8 Ų | 145.8 | 96% | 0.957 | 70% | 0.704 | S | S | * | * | trans | -44.6 | 96.2 | 162.7 | -92.1 | 179.5 | 166.2 | -175.5 | 0 | 110 | ||||
| 164 | Q | 39.4 | Very low | 51.2 | Low | 158 Ų | 158 | 144.8 Ų | 144.8 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -89.8 | 106.5 | 158.9 | -165.6 | 153.1 | -11.7 | 0 | 0 | 104.6 | K162 C166 | K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.44Å; Q164-C166 PolarHBondContact O-N 3.25Å; Q164-C166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | E | 41 | Very low | 53.1 | Low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -38.4 | 118.4 | 152.1 | -157.9 | 168.9 | -154.2 | 0 | 0 | 106.2 | T167 | E165-T167 PolarHBondContact O-N 2.59Š| ||
| 166 | C | 36.1 | Very low | 55.4 | Low | 119 Ų | 119 | 132.4 Ų | 132.4 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | trans | -73.3 | 62.3 | 178.2 | -168.7 | 0 | 0 | 0 | 0 | 108.6 | Q164 E168 | Q164-C166 PolarHBondContact O-N 3.25Å; Q164-C166 VanDerWaalsContact O-N 3.1Å; C166-E168 PolarHBondContact O-N 3.32Å; C166-E168 VanDerWaalsContact O-N 3.08Å | ||
| 167 | T | 41.7 | Very low | 57.5 | Low | 96 Ų | 96 | 126.3 Ų | 126.3 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | trans | -62.1 | 88.5 | 138.3 | -34.1 | 0 | 0 | 0 | 0 | 103.5 | E165 S169 | E165-T167 PolarHBondContact O-N 2.59Å; T167-S169 PolarHBondContact O-N 2.94Å | ||
| 168 | E | 48.6 | Very low | 60 | Low | 87 Ų | 87 | 121.5 Ų | 121.5 | 41% | 0.407 | 61% | 0.613 | S | S | . | * | trans | -52.3 | 98.8 | 162 | -167.3 | 179.5 | -156.5 | 0 | 0 | 103.8 | C166 Y170 R356 | C166-E168 PolarHBondContact O-N 3.32Å; C166-E168 VanDerWaalsContact O-N 3.08Å; E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 HydrophobicContact CB-CE1 4.04Å; E168-Y170 HydrophobicContact CG-CD1 4.47Å; E168-Y170 HydrophobicContact CG-CE1 3.78Å; E168-Y170 WeakPolarHBondContact O-CD2 3.38Å; E168-Y170 WeakPolarHBondContact O-CE2 3.16Å; E168-Y170 PolarHBondContact O-N 3.15Å; E168-Y170 WeakPolarHBondContact OE2-CE1 3.36Å; E168-Y170 PolarHBondContact OE2-OH 2.84Å; E168-R356 IonicContact OE1-NH1 3.49Å; E168-R356 IonicContact OE2-CZ 2.73Å; E168-R356 IonicContact OE2-NH1 3.17Å; E168-R356 PolarHBondContact OE2-NH1 2.74Å | ||
| 169 | S | 47 | Very low | 62.7 | Low | 78 Ų | 78 | 113.4 Ų | 113.4 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | trans | -69.9 | 101.6 | -174.1 | 70.1 | 0 | 0 | 0 | 0 | 104.5 | T167 V171 | T167-S169 PolarHBondContact O-N 2.94Å; S169-V171 PolarHBondContact O-N 3.1Å | ||
| 170 | Y | 63.5 | Low | 65.3 | Low | 67 Ų | 67 | 104.2 Ų | 104.2 | 26% | 0.263 | 54% | 0.539 | S | S | . | . | trans | -68.9 | 50.5 | 171.7 | -58.7 | -59.5 | 0 | 0 | 0 | 109.7 | E168 L172 I353 R356 | E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 HydrophobicContact CB-CE1 4.04Å; E168-Y170 HydrophobicContact CG-CD1 4.47Å; E168-Y170 HydrophobicContact CG-CE1 3.78Å; E168-Y170 WeakPolarHBondContact O-CD2 3.38Å; E168-Y170 WeakPolarHBondContact O-CE2 3.16Å; E168-Y170 PolarHBondContact O-N 3.15Å; E168-Y170 WeakPolarHBondContact OE2-CE1 3.36Å; E168-Y170 PolarHBondContact OE2-OH 2.84Å; Y170-L172 PolarHBondContact O-N 3.11Å; Y170-L172 VanDerWaalsContact O-N 3.12Å; Y170-I353 HydrophobicContact CD1-CG2 4.35Å; Y170-R356 HydrophobicContact CD1-CB 4.14Å; Y170-R356 HydrophobicContact CD2-CB 3.86Å; Y170-R356 HydrophobicContact CE1-CB 4.03Å; Y170-R356 HydrophobicContact CE1-CG 4.39Å; Y170-R356 HydrophobicContact CE2-CB 3.7Å; Y170-R356 HydrophobicContact CE2-CG 4.47Å; Y170-R356 HydrophobicContact CG-CB 4.1Å; Y170-R356 WeakPolarHBondContact OH-CD 3.47Å; Y170-R356 PolarHBondContact OH-NH1 2.75Å; Y170-R356 VanDerWaalsContact OH-NH1 3.15Å | ||
| 171 | V | 67.2 | Low | 67.6 | Low | 115 Ų | 115 | 100 Ų | 100 | 70% | 0.697 | 52% | 0.516 | S | S | * | . | trans | -72.2 | 102.9 | 169.7 | -177.7 | 0 | 0 | 0 | 0 | 104.1 | S169 S173 | S169-V171 PolarHBondContact O-N 3.1Å; V171-S173 PolarHBondContact O-N 3.25Å | ||
| 172 | L | 74.8 | Confident | 70.3 | Confident | 11 Ų | 11 | 97.3 Ų | 97.3 | 6% | 0.058 | 50% | 0.498 | C | S | . | . | trans | -60.6 | 130.3 | 170.9 | -71.8 | 163.2 | 0 | 0 | 0 | 107.1 | Y170 T176 E177 I180 I353 K357 | Y170-L172 PolarHBondContact O-N 3.11Å; Y170-L172 VanDerWaalsContact O-N 3.12Å; L172-T176 HydrophobicContact CD2-CG2 3.66Å; L172-E177 HydrophobicContact CB-CB 4.4Å; L172-E177 HydrophobicContact CB-CG 3.54Å; L172-E177 WeakPolarHBondContact CB-OE1 3.31Å; L172-E177 HydrophobicContact CD1-CG 3.54Å; L172-E177 WeakPolarHBondContact CD1-OE1 3.38Å; L172-E177 HydrophobicContact CG-CG 4.08Å; L172-I180 HydrophobicContact CD1-CD1 4.17Å; L172-I180 HydrophobicContact CD2-CD1 3.66Å; L172-I353 HydrophobicContact CD2-CB 3.69Å; L172-I353 HydrophobicContact CD2-CD1 4.43Å; L172-I353 HydrophobicContact CD2-CG2 3.25Å; L172-I353 HydrophobicContact CG-CG2 3.67Å; L172-K357 HydrophobicContact CD1-CD 3.57Å; L172-K357 HydrophobicContact CG-CD 4.22Å | ||
| 173 | S | 87.3 | Confident | 73.1 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 33% | 0.329 | 46% | 0.456 | S | S | . | . | trans | -62.6 | 150.7 | 166.6 | 72.4 | 0 | 0 | 0 | 0 | 108.2 | V171 D175 T176 E177 | V171-S173 PolarHBondContact O-N 3.25Å; S173-D175 PolarHBondContact O-N 2.91Å; S173-D175 VanDerWaalsContact O-N 3.13Å; S173-T176 PolarHBondContact O-N 3.38Å; S173-T176 WeakPolarHBondContact OG-CB 3.32Å; S173-T176 PolarHBondContact OG-N 3.08Å; S173-T176 PolarHBondContact OG-OG1 2.85Å; S173-E177 PolarHBondContact O-N 3.37Å | ||
| 174 | P | 89.4 | Confident | 75.7 | Confident | 104 Ų | 104 | 81.1 Ų | 81.1 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -52.3 | -35.1 | 174.7 | -27.2 | 35.3 | 0 | 0 | 0 | 112.4 | Q178 | P174-Q178 WeakPolarHBondContact O-CB 3.38Å; P174-Q178 PolarHBondContact O-N 2.79Å |
| 175 | D | 89.8 | Confident | 78.4 | Confident | 121 Ų | 121 | 79.6 Ų | 79.6 | 65% | 0.647 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.2 | -43.1 | 178.1 | -59.8 | -27 | 0 | 0 | 0 | 112.2 | S173 Q178 M179 | S173-D175 PolarHBondContact O-N 2.91Å; S173-D175 VanDerWaalsContact O-N 3.13Å; D175-Q178 PolarHBondContact O-N 3.06Å; D175-M179 WeakPolarHBondContact O-CB 3.4Å; D175-M179 PolarHBondContact O-N 3.46Å |
| 176 | T | 91.3 | Very high | 81.2 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | L172 S173 M179 I180 A350 | L172-T176 HydrophobicContact CD2-CG2 3.66Å; S173-T176 PolarHBondContact O-N 3.38Å; S173-T176 WeakPolarHBondContact OG-CB 3.32Å; S173-T176 PolarHBondContact OG-N 3.08Å; S173-T176 PolarHBondContact OG-OG1 2.85Å; T176-M179 PolarHBondContact O-N 2.92Å; T176-I180 HydrophobicContact CG2-CD1 4.02Å; T176-I180 WeakPolarHBondContact O-CD1 3.44Å; T176-I180 VanDerWaalsContact O-CG1 3.26Å; T176-I180 WeakPolarHBondContact O-CG1 3.5Å; T176-I180 PolarHBondContact O-N 3.3Å; T176-A350 HydrophobicContact CG2-CB 3.81Å |
| 177 | E | 92.1 | Very high | 84.1 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.3 | -48 | 173.9 | -101.9 | 169.2 | -165.4 | 0 | 0 | 111.4 | L172 S173 M179 I180 D181 K357 | L172-E177 HydrophobicContact CB-CB 4.4Å; L172-E177 HydrophobicContact CB-CG 3.54Å; L172-E177 WeakPolarHBondContact CB-OE1 3.31Å; L172-E177 HydrophobicContact CD1-CG 3.54Å; L172-E177 WeakPolarHBondContact CD1-OE1 3.38Å; L172-E177 HydrophobicContact CG-CG 4.08Å; S173-E177 PolarHBondContact O-N 3.37Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.12Å; E177-I180 PolarHBondContact O-N 2.95Å; E177-D181 PolarHBondContact O-N 3.45Å; E177-K357 IonicContact OE1-NZ 3.44Å; E177-K357 PolarHBondContact OE1-NZ 2.9Å |
| 178 | Q | 95 | Very high | 86.8 | Confident | 99 Ų | 99 | 64.8 Ų | 64.8 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 177 | -171.9 | -178.5 | 64.2 | 0 | 0 | 112.1 | P174 D175 D181 R182 | P174-Q178 WeakPolarHBondContact O-CB 3.38Å; P174-Q178 PolarHBondContact O-N 2.79Å; D175-Q178 PolarHBondContact O-N 3.06Å; Q178-D181 PolarHBondContact O-N 3.23Å; Q178-R182 VanDerWaalsContact CD-NH2 3.28Å; Q178-R182 VanDerWaalsContact O-CG 3.31Å; Q178-R182 WeakPolarHBondContact O-CG 3.18Å; Q178-R182 PolarHBondContact O-N 3.35Å |
| 179 | M | 96.5 | Very high | 89.1 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 20% | 0.202 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 175.4 | -178.9 | -179.5 | -64.1 | 0 | 0 | 111.8 | D175 T176 E177 D181 R182 V183 P239 P346 L347 | D175-M179 WeakPolarHBondContact O-CB 3.4Å; D175-M179 PolarHBondContact O-N 3.46Å; T176-M179 PolarHBondContact O-N 2.92Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-M179 PolarHBondContact O-N 3.12Å; M179-D181 VanDerWaalsContact C-N 3.3Å; M179-D181 PolarHBondContact O-N 2.73Å; M179-R182 PolarHBondContact O-N 2.63Å; M179-V183 WeakPolarHBondContact O-CG2 3.25Å; M179-V183 PolarHBondContact O-N 3.32Å; M179-P239 HydrophobicContact CG-CG 4.33Å; M179-P346 HydrophobicContact CE-CB 3.84Å; M179-P346 HydrophobicContact CE-CG 4.25Å; M179-P346 HydrophobicContact SD-CB 3.96Å; M179-P346 HydrophobicContact SD-CG 4.49Å; M179-L347 HydrophobicContact CG-CD2 4.36Å; M179-L347 HydrophobicContact SD-CD2 4.01Å |
| 180 | I | 97.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 177.5 | -67.1 | 161.7 | 0 | 0 | 0 | 110.1 | L172 T176 E177 R182 V183 R184 A316 L320 A350 Y354 | L172-I180 HydrophobicContact CD1-CD1 4.17Å; L172-I180 HydrophobicContact CD2-CD1 3.66Å; T176-I180 HydrophobicContact CG2-CD1 4.02Å; T176-I180 WeakPolarHBondContact O-CD1 3.44Å; T176-I180 VanDerWaalsContact O-CG1 3.26Å; T176-I180 WeakPolarHBondContact O-CG1 3.5Å; T176-I180 PolarHBondContact O-N 3.3Å; E177-I180 PolarHBondContact O-N 2.95Å; I180-R182 PolarHBondContact O-N 3.32Å; I180-V183 PolarHBondContact O-N 2.99Å; I180-R184 VanDerWaalsContact O-CB 3.32Å; I180-R184 WeakPolarHBondContact O-CB 3.21Å; I180-R184 PolarHBondContact O-N 2.93Å; I180-A316 HydrophobicContact CG2-CB 4.19Å; I180-L320 HydrophobicContact CG1-CD1 4.27Å; I180-L320 HydrophobicContact CG2-CD1 4.44Å; I180-A350 HydrophobicContact CD1-CB 4.21Å; I180-A350 HydrophobicContact CG1-CB 3.8Å; I180-Y354 HydrophobicContact CD1-CD2 4.03Å; I180-Y354 HydrophobicContact CD1-CG 4.36Å; I180-Y354 HydrophobicContact CG2-CD2 3.91Å; I180-Y354 HydrophobicContact CG2-CE2 4.04Å; I180-Y354 HydrophobicContact CG2-CG 4.38Å |
| 181 | D | 96.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 179.3 | -79.6 | -25.7 | 0 | 0 | 0 | 112.5 | E177 Q178 M179 R184 K185 | E177-D181 PolarHBondContact O-N 3.45Å; Q178-D181 PolarHBondContact O-N 3.23Å; M179-D181 VanDerWaalsContact C-N 3.3Å; M179-D181 PolarHBondContact O-N 2.73Å; D181-R184 IonicContact OD1-CZ 2.78Å; D181-R184 IonicContact OD1-NE 3.64Å; D181-R184 IonicContact OD1-NH1 2.84Å; D181-R184 PolarHBondContact OD1-NH1 3.09Å; D181-R184 IonicContact OD1-NH2 2.8Å; D181-R184 PolarHBondContact OD1-NH2 2.86Å; D181-K185 VanDerWaalsContact O-CB 3.29Å; D181-K185 WeakPolarHBondContact O-CB 3.35Å; D181-K185 PolarHBondContact O-N 3.22Å |
| 182 | R | 97.8 | Very high | 94.2 | Very high | 131 Ų | 131 | 55.4 Ų | 55.4 | 49% | 0.494 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 174.3 | -75.6 | 178.9 | -170.8 | 177.7 | 7.6 | 111.5 | Q178 M179 I180 K185 A186 | Q178-R182 VanDerWaalsContact CD-NH2 3.28Å; Q178-R182 VanDerWaalsContact O-CG 3.31Å; Q178-R182 WeakPolarHBondContact O-CG 3.18Å; Q178-R182 PolarHBondContact O-N 3.35Å; M179-R182 PolarHBondContact O-N 2.63Å; I180-R182 PolarHBondContact O-N 3.32Å; R182-K185 PolarHBondContact O-N 3.32Å; R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.25Å |
| 183 | V | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 179.2 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | M179 I180 K185 A186 H187 L238 G319 L320 A323 L347 | M179-V183 WeakPolarHBondContact O-CG2 3.25Å; M179-V183 PolarHBondContact O-N 3.32Å; I180-V183 PolarHBondContact O-N 2.99Å; V183-K185 PolarHBondContact O-N 3.26Å; V183-A186 PolarHBondContact O-N 2.93Å; V183-H187 WeakPolarHBondContact O-CB 2.97Å; V183-H187 PolarHBondContact O-N 3.42Å; V183-L238 HydrophobicContact CG1-CD2 4.18Å; V183-L238 HydrophobicContact CG2-CD2 3.95Å; V183-G319 VanDerWaalsContact CG1-C 3.42Å; V183-L320 HydrophobicContact CB-CD2 4.24Å; V183-L320 HydrophobicContact CG1-CD2 4.06Å; V183-L320 HydrophobicContact CG1-CG 4.16Å; V183-L320 HydrophobicContact CG2-CD2 4.28Å; V183-A323 HydrophobicContact CG1-CB 4.45Å; V183-L347 HydrophobicContact CG2-CD2 3.94Å |
| 184 | R | 98.1 | Very high | 94.5 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.8 | -48.4 | 174.7 | -177.9 | -172.6 | 66.3 | -156.5 | -12.9 | 110.8 | I180 D181 H187 Q188 D315 A316 | I180-R184 VanDerWaalsContact O-CB 3.32Å; I180-R184 WeakPolarHBondContact O-CB 3.21Å; I180-R184 PolarHBondContact O-N 2.93Å; D181-R184 IonicContact OD1-CZ 2.78Å; D181-R184 IonicContact OD1-NE 3.64Å; D181-R184 IonicContact OD1-NH1 2.84Å; D181-R184 PolarHBondContact OD1-NH1 3.09Å; D181-R184 IonicContact OD1-NH2 2.8Å; D181-R184 PolarHBondContact OD1-NH2 2.86Å; R184-H187 WeakPolarHBondContact O-CB 3.4Å; R184-H187 PolarHBondContact O-N 3.49Å; R184-Q188 WeakPolarHBondContact O-CG 3.26Å; R184-Q188 PolarHBondContact O-N 3.03Å; R184-D315 HydrophobicContact CG-CB 4.26Å; R184-A316 HydrophobicContact CB-CB 4.05Å; R184-A316 HydrophobicContact CG-CB 4.06Å |
| 185 | K | 97.8 | Very high | 94 | Very high | 125 Ų | 125 | 56 Ų | 56 | 54% | 0.543 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 179.6 | -176.2 | 175.8 | 178.6 | -177.4 | 0 | 111.5 | D181 R182 V183 H187 Q188 D189 | D181-K185 VanDerWaalsContact O-CB 3.29Å; D181-K185 WeakPolarHBondContact O-CB 3.35Å; D181-K185 PolarHBondContact O-N 3.22Å; R182-K185 PolarHBondContact O-N 3.32Å; V183-K185 PolarHBondContact O-N 3.26Å; K185-H187 PolarHBondContact O-N 2.93Å; K185-Q188 PolarHBondContact O-N 3.34Å; K185-Q188 VanDerWaalsContact O-N 3.15Å; K185-D189 VanDerWaalsContact CE-OD2 3.27Å; K185-D189 WeakPolarHBondContact CE-OD2 3.34Å; K185-D189 WeakPolarHBondContact CG-OD2 3.46Å; K185-D189 WeakPolarHBondContact O-CB 3.23Å; K185-D189 VanDerWaalsContact O-CG 3.28Å; K185-D189 PolarHBondContact O-N 3.49Å |
| 186 | A | 98.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R182 V183 T190 F234 Q237 | R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.25Å; V183-A186 PolarHBondContact O-N 2.93Å; A186-T190 WeakPolarHBondContact O-CB 3.44Å; A186-T190 WeakPolarHBondContact O-CG2 3.5Å; A186-T190 PolarHBondContact O-N 2.82Å; A186-T190 PolarHBondContact O-OG1 2.93Å; A186-F234 HydrophobicContact CB-CD2 3.98Å; A186-F234 HydrophobicContact CB-CE2 4.22Å; A186-Q237 HydrophobicContact CB-CB 3.6Å |
| 187 | H | 98.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -50.6 | 174.5 | -178.4 | 78.4 | 0 | 0 | 0 | 111.7 | V183 R184 K185 D189 T190 F191 F234 | V183-H187 WeakPolarHBondContact O-CB 2.97Å; V183-H187 PolarHBondContact O-N 3.42Å; R184-H187 WeakPolarHBondContact O-CB 3.4Å; R184-H187 PolarHBondContact O-N 3.49Å; K185-H187 PolarHBondContact O-N 2.93Å; H187-D189 PolarHBondContact O-N 3.46Å; H187-T190 PolarHBondContact O-N 3.45Å; H187-T190 PolarHBondContact O-OG1 3.1Å; H187-F191 AromaticContact NE2-CD1 3.97Å; H187-F191 WeakPolarHBondContact O-CA 3.33Å; H187-F191 WeakPolarHBondContact O-CB 3.07Å; H187-F191 PolarHBondContact O-N 2.89Å; H187-F234 HydrophobicContact CB-CD2 4.47Å; H187-F234 HydrophobicContact CB-CE2 4.07Å |
| 188 | Q | 96.4 | Very high | 93.3 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | -178.8 | -72.5 | 175.3 | -26.1 | 0 | 0 | 113 | R184 K185 T190 F191 D315 | R184-Q188 WeakPolarHBondContact O-CG 3.26Å; R184-Q188 PolarHBondContact O-N 3.03Å; K185-Q188 PolarHBondContact O-N 3.34Å; K185-Q188 VanDerWaalsContact O-N 3.15Å; Q188-T190 PolarHBondContact O-N 3.25Å; Q188-F191 CarbonylContact O-C 3.59Å; Q188-F191 PolarHBondContact O-N 2.63Å; Q188-D315 HydrophobicContact CG-CB 4.01Å; Q188-D315 PolarHBondContact NE2-OD2 2.76Å |
| 189 | D | 97 | Very high | 93.2 | Very high | 95 Ų | 95 | 56 Ų | 56 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.6 | -25.9 | -179.4 | -71 | -8.6 | 0 | 0 | 0 | 111.9 | K185 H187 | K185-D189 VanDerWaalsContact CE-OD2 3.27Å; K185-D189 WeakPolarHBondContact CE-OD2 3.34Å; K185-D189 WeakPolarHBondContact CG-OD2 3.46Å; K185-D189 WeakPolarHBondContact O-CB 3.23Å; K185-D189 VanDerWaalsContact O-CG 3.28Å; K185-D189 PolarHBondContact O-N 3.49Å; H187-D189 PolarHBondContact O-N 3.46Å |
| 190 | T | 98.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -106.3 | -9.6 | -178.5 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | A186 H187 Q188 K230 E233 F234 R264 | A186-T190 WeakPolarHBondContact O-CB 3.44Å; A186-T190 WeakPolarHBondContact O-CG2 3.5Å; A186-T190 PolarHBondContact O-N 2.82Å; A186-T190 PolarHBondContact O-OG1 2.93Å; H187-T190 PolarHBondContact O-N 3.45Å; H187-T190 PolarHBondContact O-OG1 3.1Å; Q188-T190 PolarHBondContact O-N 3.25Å; T190-K230 WeakPolarHBondContact CB-O 3.49Å; T190-K230 WeakPolarHBondContact O-CB 3.31Å; T190-E233 HydrophobicContact CG2-CB 3.92Å; T190-F234 HydrophobicContact CG2-CB 4.15Å; T190-R264 PolarHBondContact OG1-NH2 2.94Å |
| 191 | F | 97.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -152.7 | 91.5 | -179.4 | -165.3 | -107.6 | 0 | 0 | 0 | 109.9 | H187 Q188 R264 R268 | H187-F191 AromaticContact NE2-CD1 3.97Å; H187-F191 WeakPolarHBondContact O-CA 3.33Å; H187-F191 WeakPolarHBondContact O-CB 3.07Å; H187-F191 PolarHBondContact O-N 2.89Å; Q188-F191 CarbonylContact O-C 3.59Å; Q188-F191 PolarHBondContact O-N 2.63Å; F191-R264 HydrophobicContact CD1-CB 4.33Å; F191-R264 HydrophobicContact CD1-CG 4.03Å; F191-R264 HydrophobicContact CD2-CB 4.2Å; F191-R264 HydrophobicContact CD2-CG 4.1Å; F191-R264 HydrophobicContact CE1-CB 3.84Å; F191-R264 HydrophobicContact CE1-CG 4.03Å; F191-R264 WeakPolarHBondContact CE1-O 3.21Å; F191-R264 HydrophobicContact CE2-CB 3.71Å; F191-R264 HydrophobicContact CE2-CG 4.13Å; F191-R264 HydrophobicContact CG-CB 4.49Å; F191-R264 HydrophobicContact CG-CG 4.04Å; F191-R264 HydrophobicContact CZ-CB 3.5Å; F191-R264 VanDerWaalsContact CZ-CB 3.5Å; F191-R264 HydrophobicContact CZ-CG 4.08Å; F191-R264 WeakPolarHBondContact CZ-O 3.41Å; F191-R268 HydrophobicContact CE1-CG 3.91Å; F191-R268 VanDerWaalsContact CE1-CZ 3.43Å; F191-R268 VanDerWaalsContact CE1-NE 3.27Å; F191-R268 VanDerWaalsContact CE2-CZ 3.49Å; F191-R268 HydrophobicContact CZ-CG 3.59Å; F191-R268 VanDerWaalsContact CZ-NE 3.34Å |
| 192 | P | 89.8 | Confident | 92.6 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 28% | 0.279 | 32% | 0.324 | S | S | . | . | trans | -60.9 | 149.5 | -176.8 | 24 | -34.3 | 0 | 0 | 0 | 111.6 | L197 R268 | P192-L197 HydrophobicContact CB-CD2 4.34Å; P192-L197 HydrophobicContact CG-CD2 3.88Å; P192-R268 VanDerWaalsContact O-CZ 3.24Å; P192-R268 PolarHBondContact O-NE 2.96Å; P192-R268 VanDerWaalsContact O-NE 3.15Å; P192-R268 PolarHBondContact O-NH2 2.95Å | ||
| 193 | S | 84.7 | Confident | 92 | Very high | 26 Ų | 26 | 61.7 Ų | 61.7 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -72.1 | 151.1 | -177.2 | -131.9 | 0 | 0 | 0 | 0 | 111 | C195 Q196 D315 | S193-C195 PolarHBondContact O-N 2.9Å; S193-C195 VanDerWaalsContact O-N 3.11Å; S193-Q196 WeakPolarHBondContact O-CB 3.3Å; S193-Q196 PolarHBondContact O-N 3.35Å; S193-D315 PolarHBondContact OG-OD1 2.93Å; S193-D315 VanDerWaalsContact OG-OD1 3.13Å; S193-D315 PolarHBondContact OG-OD2 2.62Å | ||
| 194 | L | 84.3 | Confident | 91.3 | Very high | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -55.8 | -34.9 | -173.9 | -179.9 | 62 | 0 | 0 | 0 | 113.3 | Q196 R268 T277 | L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 3.44Å; L194-R268 HydrophobicContact CD1-CB 4.41Å; L194-T277 HydrophobicContact CD1-CG2 4.11Å |
| 195 | C | 79.4 | Confident | 90.5 | Very high | 115 Ų | 115 | 61.7 Ų | 61.7 | 78% | 0.777 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -73.3 | -13 | -179.7 | 60 | 0 | 0 | 0 | 0 | 114.1 | S193 | S193-C195 PolarHBondContact O-N 2.9Å; S193-C195 VanDerWaalsContact O-N 3.11Å |
| 196 | Q | 80.8 | Confident | 89.8 | Confident | 129 Ų | 129 | 57.4 Ų | 57.4 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -93.9 | -6.6 | -178.6 | -62.4 | 170.5 | -33.8 | 0 | 0 | 112.6 | S193 L194 | S193-Q196 WeakPolarHBondContact O-CB 3.3Å; S193-Q196 PolarHBondContact O-N 3.35Å; L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 3.44Å |
| 197 | L | 86.9 | Confident | 89.3 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -90.8 | 132.9 | -174.7 | -66.4 | 174.1 | 0 | 0 | 0 | 111.9 | P192 K199 T277 F278 S279 | P192-L197 HydrophobicContact CB-CD2 4.34Å; P192-L197 HydrophobicContact CG-CD2 3.88Å; L197-K199 PolarHBondContact O-N 2.94Å; L197-T277 HydrophobicContact CD1-CG2 4Å; L197-F278 WeakPolarHBondContact CD1-O 3.37Å; L197-S279 VanDerWaalsContact CD2-O 3.3Å; L197-S279 WeakPolarHBondContact CD2-O 3.49Å |
| 198 | G | 89.2 | Confident | 89 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | trans | -71.5 | 92.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G281 | G198-G281 WeakPolarHBondContact O-CA 3.5Š| ||
| 199 | K | 92.6 | Very high | 89 | Confident | 103 Ų | 103 | 77 Ų | 77 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | trans | -71.6 | 135.9 | -174.2 | -55.9 | -169.5 | -177.7 | -175.7 | 0 | 111.8 | L197 T277 G281 | L197-K199 PolarHBondContact O-N 2.94Å; K199-T277 HydrophobicContact CG-CG2 4.27Å; K199-G281 WeakPolarHBondContact CA-O 3.22Å | ||
| 200 | Y | 94.5 | Very high | 88.9 | Confident | 97 Ų | 97 | 75.4 Ų | 75.4 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.4 | 170 | 73 | -85.4 | 0 | 0 | 0 | 110.6 | D280 G281 L282 T283 | Y200-D280 WeakPolarHBondContact CE1-O 3.44Å; Y200-D280 PolarHBondContact OH-OD2 3.01Å; Y200-G281 PolarHBondContact N-O 3.36Å; Y200-L282 HydrophobicContact CD2-CD1 4.32Å; Y200-L282 HydrophobicContact CE1-CB 4.13Å; Y200-L282 VanDerWaalsContact CE1-N 3.29Å; Y200-L282 HydrophobicContact CE2-CB 4.29Å; Y200-L282 HydrophobicContact CE2-CD1 3.67Å; Y200-T283 PolarHBondContact O-N 2.98Å |
| 201 | T | 93.3 | Very high | 88.6 | Confident | 111 Ų | 111 | 79 Ų | 79 | 68% | 0.681 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 160 | -178.9 | 55.7 | 0 | 0 | 0 | 0 | 111 | ||
| 202 | T | 91.1 | Very high | 88.5 | Confident | 32 Ų | 32 | 79.9 Ų | 79.9 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | trans | -121.2 | 147.9 | 167.3 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | N204 L216 L282 L284 Q288 | T202-N204 PolarHBondContact OG1-N 2.8Å; T202-L216 HydrophobicContact CG2-CD2 3.92Å; T202-L282 HydrophobicContact CG2-CD1 4.12Å; T202-L284 HydrophobicContact CG2-CD2 3.82Å; T202-Q288 PolarHBondContact O-NE2 3.18Å | ||
| 203 | T | 85.3 | Confident | 88.9 | Confident | 127 Ų | 127 | 78.6 Ų | 78.6 | 78% | 0.779 | 43% | 0.426 | S | S | * | . | trans | -85.1 | -12.4 | 177 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | S205 S206 | T203-S205 PolarHBondContact O-N 3.35Å; T203-S206 PolarHBondContact O-OG 2.92Å | ||
| 204 | N | 83.1 | Confident | 89.3 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 133.4 | -173.9 | -168.2 | 20.2 | 0 | 0 | 0 | 112.3 | T202 S206 D213 Q288 | T202-N204 PolarHBondContact OG1-N 2.8Å; N204-S206 PolarHBondContact O-N 3.22Å; N204-D213 PolarHBondContact ND2-OD1 2.95Å; N204-D213 PolarHBondContact ND2-OD2 3.34Å; N204-D213 PolarHBondContact OD1-OD2 3.08Å; N204-Q288 PolarHBondContact O-NE2 3.04Å |
| 205 | S | 82.2 | Confident | 89.8 | Confident | 37 Ų | 37 | 83.8 Ų | 83.8 | 26% | 0.259 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.4 | 45 | 176 | -69.9 | 0 | 0 | 0 | 0 | 115.4 | T203 D213 N291 | T203-S205 PolarHBondContact O-N 3.35Å; S205-D213 WeakPolarHBondContact CB-OD2 3.42Å; S205-D213 PolarHBondContact OG-OD2 3.4Å; S205-N291 PolarHBondContact O-ND2 3.47Å |
| 206 | S | 83.3 | Confident | 90.6 | Very high | 36 Ų | 36 | 78.5 Ų | 78.5 | 25% | 0.252 | 42% | 0.415 | S | S | . | . | trans | -89.3 | -22.4 | -172.3 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | T203 N204 N285 T287 | T203-S206 PolarHBondContact O-OG 2.92Å; N204-S206 PolarHBondContact O-N 3.22Å; S206-N285 PolarHBondContact O-ND2 3.04Å; S206-T287 WeakPolarHBondContact O-CB 3.25Å | ||
| 207 | E | 86.8 | Confident | 91.3 | Very high | 184 Ų | 184 | 72.9 Ų | 72.9 | 86% | 0.86 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -94.1 | -39.8 | -170.2 | -62.9 | -178.8 | 177.8 | 0 | 0 | 114 | ||
| 208 | R | 92.7 | Very high | 91.7 | Very high | 205 Ų | 205 | 75.8 Ų | 75.8 | 77% | 0.774 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -127 | 141.1 | -175.3 | -172 | 179.2 | 177.6 | -176.4 | -0.1 | 111.6 | T287 N291 | R208-T287 WeakPolarHBondContact O-CG2 3.17Å; R208-N291 PolarHBondContact O-ND2 2.97Å |
| 209 | R | 96.3 | Very high | 92 | Very high | 91 Ų | 91 | 77 Ų | 77 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | trans | -69.2 | 128.4 | 170.7 | -70.2 | -176.6 | -178.3 | -173.1 | 1.5 | 110.4 | T287 H290 N291 D299 | R209-T287 HydrophobicContact CG-CG2 4.1Å; R209-H290 HydrophobicContact CG-CB 4.17Å; R209-N291 VanDerWaalsContact CA-OD1 3.3Å; R209-N291 WeakPolarHBondContact CA-OD1 3.43Å; R209-D299 IonicContact CZ-OD1 3.34Å; R209-D299 IonicContact CZ-OD2 4Å; R209-D299 IonicContact NH1-OD1 3.47Å; R209-D299 IonicContact NH1-OD2 3.51Å; R209-D299 PolarHBondContact NH1-OD2 3.3Å; R209-D299 IonicContact NH2-OD1 3.6Å; R209-D299 PolarHBondContact NH2-OD1 3.06Å; R209-D299 IonicContact NH2-OD2 2.69Å; R209-D299 PolarHBondContact NH2-OD2 2.87Å | ||
| 210 | V | 94.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 73.5 Ų | 73.5 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | trans | -119.7 | 168.1 | 170.2 | -62.5 | 0 | 0 | 0 | 0 | 109 | D213 H290 N291 | V210-D213 HydrophobicContact CG2-CB 4.45Å; V210-H290 PolarHBondContact O-CE1 3.45Å; V210-H290 PolarHBondContact O-ND1 3.03Å; V210-N291 HydrophobicContact CG2-CB 4.01Å; V210-N291 PolarHBondContact N-OD1 3.24Å; V210-N291 PolarHBondContact O-OD1 3.32Å | ||
| 211 | S | 92.4 | Very high | 92.2 | Very high | 79 Ų | 79 | 69.5 Ų | 69.5 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -60.2 | -51 | -179.6 | -165.3 | 0 | 0 | 0 | 0 | 111.5 | E393 | S211-E393 PolarHBondContact OG-OE2 3.08Š|
| 212 | L | 96 | Very high | 92.4 | Very high | 26 Ų | 26 | 69.3 Ų | 69.3 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | trans | -157 | 135.9 | 179.6 | -171.2 | 69.8 | 0 | 0 | 0 | 108.6 | I214 W217 L390 E393 I394 | L212-I214 HydrophobicContact CD2-CD1 3.91Å; L212-I214 HydrophobicContact CG-CD1 4.31Å; L212-W217 HydrophobicContact CD1-CB 4.1Å; L212-W217 HydrophobicContact CD1-CE3 4.41Å; L212-W217 HydrophobicContact CD1-CG 4.47Å; L212-W217 HydrophobicContact CG-CB 4.36Å; L212-L390 HydrophobicContact CD1-CD2 3.95Å; L212-E393 HydrophobicContact CD2-CB 4.17Å; L212-I394 HydrophobicContact CD2-CG2 3.75Å | ||
| 213 | D | 96.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | trans | -103.1 | 121.3 | 167.3 | 179.6 | -60.4 | 0 | 0 | 0 | 108.2 | N204 S205 V210 D215 L216 W217 N291 | N204-D213 PolarHBondContact ND2-OD1 2.95Å; N204-D213 PolarHBondContact ND2-OD2 3.34Å; N204-D213 PolarHBondContact OD1-OD2 3.08Å; S205-D213 WeakPolarHBondContact CB-OD2 3.42Å; S205-D213 PolarHBondContact OG-OD2 3.4Å; V210-D213 HydrophobicContact CG2-CB 4.45Å; D213-D215 PolarHBondContact OD1-N 3.06Å; D213-L216 HydrophobicContact CB-CB 4.05Å; D213-L216 HydrophobicContact CB-CD1 3.99Å; D213-L216 HydrophobicContact CB-CG 4.15Å; D213-L216 PolarHBondContact O-N 3.37Å; D213-L216 PolarHBondContact OD1-N 3.29Å; D213-W217 VanDerWaalsContact O-CB 3.27Å; D213-W217 WeakPolarHBondContact O-CB 3.36Å; D213-W217 PolarHBondContact O-N 3.22Å; D213-N291 HydrophobicContact CB-CB 4.08Å; D213-N291 PolarHBondContact N-O 3.08Å | ||
| 214 | I | 94.6 | Very high | 93.3 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | -171.6 | -56.1 | -52.7 | 0 | 0 | 0 | 111.8 | L212 L216 W217 D218 P395 | L212-I214 HydrophobicContact CD2-CD1 3.91Å; L212-I214 HydrophobicContact CG-CD1 4.31Å; I214-L216 PolarHBondContact O-N 3.31Å; I214-W217 WeakPolarHBondContact O-CB 3.3Å; I214-W217 PolarHBondContact O-N 3.1Å; I214-D218 WeakPolarHBondContact O-CB 3.3Å; I214-D218 VanDerWaalsContact O-CG 3.31Å; I214-D218 PolarHBondContact O-N 3.41Å; I214-P395 HydrophobicContact CD1-CG 3.7Å; I214-P395 HydrophobicContact CG1-CG 4.27Å |
| 215 | D | 94.4 | Very high | 94 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69 | -37 | -179.4 | -63.8 | -30.2 | 0 | 0 | 0 | 111.4 | D213 K219 | D213-D215 PolarHBondContact OD1-N 3.06Å; D215-K219 WeakPolarHBondContact O-CG 3.38Å; D215-K219 PolarHBondContact O-N 3.42Å |
| 216 | L | 96 | Very high | 94.7 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.1 | -40 | 173.5 | -68.9 | -179.2 | 0 | 0 | 0 | 111.5 | T202 D213 I214 F220 L284 Q288 N291 A292 | T202-L216 HydrophobicContact CG2-CD2 3.92Å; D213-L216 HydrophobicContact CB-CB 4.05Å; D213-L216 HydrophobicContact CB-CD1 3.99Å; D213-L216 HydrophobicContact CB-CG 4.15Å; D213-L216 PolarHBondContact O-N 3.37Å; D213-L216 PolarHBondContact OD1-N 3.29Å; I214-L216 PolarHBondContact O-N 3.31Å; L216-F220 WeakPolarHBondContact O-CB 3.36Å; L216-F220 PolarHBondContact O-N 2.98Å; L216-L284 HydrophobicContact CD2-CD2 4.35Å; L216-Q288 HydrophobicContact CD1-CB 4.21Å; L216-Q288 HydrophobicContact CD1-CG 4.42Å; L216-N291 HydrophobicContact CD1-CB 4.18Å; L216-A292 HydrophobicContact CB-CB 3.98Å |
| 217 | W | 96.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 65.4 Ų | 65.4 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.6 | 166.8 | -102.2 | 0 | 0 | 0 | 111.8 | L212 D213 I214 K219 F220 S221 L390 I394 M398 | L212-W217 HydrophobicContact CD1-CB 4.1Å; L212-W217 HydrophobicContact CD1-CE3 4.41Å; L212-W217 HydrophobicContact CD1-CG 4.47Å; L212-W217 HydrophobicContact CG-CB 4.36Å; D213-W217 VanDerWaalsContact O-CB 3.27Å; D213-W217 WeakPolarHBondContact O-CB 3.36Å; D213-W217 PolarHBondContact O-N 3.22Å; I214-W217 WeakPolarHBondContact O-CB 3.3Å; I214-W217 PolarHBondContact O-N 3.1Å; W217-K219 PolarHBondContact O-N 3.28Å; W217-F220 AromaticContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CE1 4.48Å; W217-F220 AromaticContact CZ3-CD1 3.8Å; W217-F220 HydrophobicContact CZ3-CD1 3.8Å; W217-F220 AromaticContact CZ3-CE1 3.97Å; W217-F220 HydrophobicContact CZ3-CE1 3.97Å; W217-F220 PolarHBondContact O-N 3.25Å; W217-S221 VanDerWaalsContact O-CB 3.26Å; W217-S221 WeakPolarHBondContact O-CB 3.25Å; W217-S221 PolarHBondContact O-N 3.45Å; W217-S221 PolarHBondContact O-OG 3.38Å; W217-L390 HydrophobicContact CE3-CD2 4.41Å; W217-L390 HydrophobicContact CH2-CD1 4.26Å; W217-L390 HydrophobicContact CZ3-CD1 3.85Å; W217-L390 HydrophobicContact CZ3-CD2 4.2Å; W217-I394 HydrophobicContact CD2-CG2 3.96Å; W217-I394 VanDerWaalsContact CE2-CG2 3.48Å; W217-I394 HydrophobicContact CG-CG2 4.26Å; W217-I394 HydrophobicContact CZ2-CD1 4.42Å; W217-I394 HydrophobicContact CZ2-CG2 3.83Å; W217-M398 HydrophobicContact CH2-CE 4.08Å; W217-M398 HydrophobicContact CH2-SD 3.75Å; W217-M398 HydrophobicContact CZ2-CE 4.32Å; W217-M398 HydrophobicContact CZ2-SD 3.84Å |
| 218 | D | 95.2 | Very high | 96 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | -179.4 | -76.1 | -10.1 | 0 | 0 | 0 | 110.8 | I214 S221 E222 | I214-D218 WeakPolarHBondContact O-CB 3.3Å; I214-D218 VanDerWaalsContact O-CG 3.31Å; I214-D218 PolarHBondContact O-N 3.41Å; D218-S221 PolarHBondContact O-N 2.89Å; D218-S221 PolarHBondContact O-OG 3.22Å; D218-E222 PolarHBondContact O-N 3.47Å; D218-E222 VanDerWaalsContact O-N 3.1Å |
| 219 | K | 94.9 | Very high | 96.3 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.1 | -69 | 179.8 | -177.6 | 178.4 | 0 | 112.4 | D215 W217 S221 E222 L223 L282 | D215-K219 WeakPolarHBondContact O-CG 3.38Å; D215-K219 PolarHBondContact O-N 3.42Å; W217-K219 PolarHBondContact O-N 3.28Å; K219-S221 VanDerWaalsContact C-N 3.35Å; K219-S221 PolarHBondContact O-N 3.35Å; K219-E222 PolarHBondContact O-N 3.35Å; K219-L223 WeakPolarHBondContact O-CB 3.48Å; K219-L223 VanDerWaalsContact O-CG 3.23Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.08Å; K219-L282 HydrophobicContact CB-CD2 4.42Å; K219-L282 HydrophobicContact CD-CD2 4.48Å |
| 220 | F | 95.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | -179.1 | 168.9 | -101.3 | 0 | 0 | 0 | 111.9 | L216 W217 L223 S224 F278 A292 F294 | L216-F220 WeakPolarHBondContact O-CB 3.36Å; L216-F220 PolarHBondContact O-N 2.98Å; W217-F220 AromaticContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CD1 3.89Å; W217-F220 HydrophobicContact CE3-CE1 4.48Å; W217-F220 AromaticContact CZ3-CD1 3.8Å; W217-F220 HydrophobicContact CZ3-CD1 3.8Å; W217-F220 AromaticContact CZ3-CE1 3.97Å; W217-F220 HydrophobicContact CZ3-CE1 3.97Å; W217-F220 PolarHBondContact O-N 3.25Å; F220-L223 PolarHBondContact O-N 2.91Å; F220-S224 VanDerWaalsContact CE2-OG 3.32Å; F220-S224 WeakPolarHBondContact CE2-OG 3.44Å; F220-S224 VanDerWaalsContact CZ-OG 3.24Å; F220-S224 WeakPolarHBondContact CZ-OG 3.5Å; F220-S224 VanDerWaalsContact O-CB 3.25Å; F220-S224 WeakPolarHBondContact O-CB 3.42Å; F220-S224 PolarHBondContact O-N 2.9Å; F220-S224 PolarHBondContact O-OG 3.29Å; F220-F278 AromaticContact CD2-CE1 3.7Å; F220-F278 HydrophobicContact CD2-CE1 3.7Å; F220-F278 AromaticContact CD2-CZ 3.8Å; F220-F278 HydrophobicContact CD2-CZ 3.8Å; F220-F278 AromaticContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CZ 4.17Å; F220-A292 HydrophobicContact CB-CB 4.18Å; F220-A292 WeakPolarHBondContact CD1-O 3.38Å; F220-A292 HydrophobicContact CG-CB 4.48Å; F220-F294 HydrophobicContact CD2-CE2 4.12Å; F220-F294 HydrophobicContact CE2-CD2 4.29Å; F220-F294 AromaticContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CZ 4.06Å; F220-F294 HydrophobicContact CZ-CD2 4.4Å; F220-F294 AromaticContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CZ 4.36Å |
| 221 | S | 96.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.4 | -37.1 | -178.2 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | W217 D218 K219 S224 T225 | W217-S221 VanDerWaalsContact O-CB 3.26Å; W217-S221 WeakPolarHBondContact O-CB 3.25Å; W217-S221 PolarHBondContact O-N 3.45Å; W217-S221 PolarHBondContact O-OG 3.38Å; D218-S221 PolarHBondContact O-N 2.89Å; D218-S221 PolarHBondContact O-OG 3.22Å; K219-S221 VanDerWaalsContact C-N 3.35Å; K219-S221 PolarHBondContact O-N 3.35Å; S221-S224 PolarHBondContact O-N 3.33Å; S221-T225 WeakPolarHBondContact O-CB 3.43Å; S221-T225 PolarHBondContact O-N 3.3Å; S221-T225 PolarHBondContact O-OG1 3.05Å |
| 222 | E | 96.9 | Very high | 96.8 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -49 | 171.4 | -171 | -166.8 | 149.8 | 0 | 0 | 111.4 | D218 K219 S224 T225 K226 | D218-E222 PolarHBondContact O-N 3.47Å; D218-E222 VanDerWaalsContact O-N 3.1Å; K219-E222 PolarHBondContact O-N 3.35Å; E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 3.31Å; E222-T225 PolarHBondContact O-N 2.93Å; E222-K226 WeakPolarHBondContact O-CG 3.44Å; E222-K226 PolarHBondContact O-N 2.78Å; E222-K226 WeakPolarHBondContact OE1-CE 3.31Å; E222-K226 IonicContact OE1-NZ 3.71Å; E222-K226 PolarHBondContact OE1-NZ 2.93Å |
| 223 | L | 97.1 | Very high | 97 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 179.1 | -69.6 | 170 | 0 | 0 | 0 | 112.2 | K219 F220 K226 C227 F278 D280 L282 | K219-L223 WeakPolarHBondContact O-CB 3.48Å; K219-L223 VanDerWaalsContact O-CG 3.23Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.08Å; F220-L223 PolarHBondContact O-N 2.91Å; L223-K226 PolarHBondContact O-N 2.84Å; L223-C227 WeakPolarHBondContact O-CB 3.47Å; L223-C227 PolarHBondContact O-N 3.01Å; L223-F278 HydrophobicContact CB-CD1 4.48Å; L223-F278 HydrophobicContact CD1-CB 3.85Å; L223-F278 HydrophobicContact CD1-CD1 4.36Å; L223-F278 HydrophobicContact CD1-CG 4.04Å; L223-D280 HydrophobicContact CD2-CB 3.74Å; L223-D280 VanDerWaalsContact CD2-CG 3.49Å; L223-L282 HydrophobicContact CD1-CB 4.42Å; L223-L282 HydrophobicContact CD1-CD2 4Å |
| 224 | S | 97.1 | Very high | 97.1 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -45.2 | 175.8 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | F220 S221 E222 K226 C227 I228 | F220-S224 VanDerWaalsContact CE2-OG 3.32Å; F220-S224 WeakPolarHBondContact CE2-OG 3.44Å; F220-S224 VanDerWaalsContact CZ-OG 3.24Å; F220-S224 WeakPolarHBondContact CZ-OG 3.5Å; F220-S224 VanDerWaalsContact O-CB 3.25Å; F220-S224 WeakPolarHBondContact O-CB 3.42Å; F220-S224 PolarHBondContact O-N 2.9Å; F220-S224 PolarHBondContact O-OG 3.29Å; S221-S224 PolarHBondContact O-N 3.33Å; E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 3.31Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 2.95Å; S224-C227 CarbonylContact O-C 3.59Å; S224-C227 WeakPolarHBondContact O-CB 3.29Å; S224-C227 PolarHBondContact O-N 2.95Å; S224-I228 WeakPolarHBondContact O-CG1 3.43Å; S224-I228 PolarHBondContact O-N 3.45Å |
| 225 | T | 98 | Very high | 97.3 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 174.5 | -59.6 | 0 | 0 | 0 | 0 | 111 | S221 E222 C227 I228 I229 L401 | S221-T225 WeakPolarHBondContact O-CB 3.43Å; S221-T225 PolarHBondContact O-N 3.3Å; S221-T225 PolarHBondContact O-OG1 3.05Å; E222-T225 PolarHBondContact O-N 2.93Å; T225-C227 VanDerWaalsContact C-N 3.33Å; T225-C227 PolarHBondContact O-N 3.13Å; T225-I228 PolarHBondContact O-N 3.28Å; T225-I229 HydrophobicContact CG2-CD1 4.49Å; T225-I229 WeakPolarHBondContact O-CG1 3.17Å; T225-I229 PolarHBondContact O-N 3.28Å; T225-I229 VanDerWaalsContact O-N 3.14Å; T225-L401 HydrophobicContact CG2-CB 4.28Å; T225-L401 HydrophobicContact CG2-CD2 3.97Å |
| 226 | K | 97.9 | Very high | 97.5 | Very high | 109 Ų | 109 | 44.3 Ų | 44.3 | 47% | 0.474 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -41.6 | 174.7 | -71.2 | 169.7 | 174.2 | 170.2 | 0 | 112.1 | E222 L223 S224 I229 K230 | E222-K226 WeakPolarHBondContact O-CG 3.44Å; E222-K226 PolarHBondContact O-N 2.78Å; E222-K226 WeakPolarHBondContact OE1-CE 3.31Å; E222-K226 IonicContact OE1-NZ 3.71Å; E222-K226 PolarHBondContact OE1-NZ 2.93Å; L223-K226 PolarHBondContact O-N 2.84Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 2.95Å; K226-I229 PolarHBondContact O-N 3.05Å; K226-K230 WeakPolarHBondContact O-CG 3.14Å; K226-K230 PolarHBondContact O-N 2.92Å |
| 227 | C | 98.1 | Very high | 97.6 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.2 | -35.1 | 179.5 | -160.8 | 0 | 0 | 0 | 0 | 112.8 | L223 S224 T225 K230 T231 L261 | L223-C227 WeakPolarHBondContact O-CB 3.47Å; L223-C227 PolarHBondContact O-N 3.01Å; S224-C227 CarbonylContact O-C 3.59Å; S224-C227 WeakPolarHBondContact O-CB 3.29Å; S224-C227 PolarHBondContact O-N 2.95Å; T225-C227 VanDerWaalsContact C-N 3.33Å; T225-C227 PolarHBondContact O-N 3.13Å; C227-K230 CarbonylContact O-C 3.5Å; C227-K230 PolarHBondContact O-N 3.02Å; C227-T231 PolarHBondContact O-N 3.05Å; C227-T231 PolarHBondContact O-OG1 3.38Å; C227-L261 HydrophobicContact CB-CD2 3.79Å; C227-L261 WeakPolarHBondContact SG-CD2 3.19Å |
| 228 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 173.2 | -68.1 | 167.5 | 0 | 0 | 0 | 110 | S224 T225 K230 T231 V232 L261 L401 I402 M405 L406 | S224-I228 WeakPolarHBondContact O-CG1 3.43Å; S224-I228 PolarHBondContact O-N 3.45Å; T225-I228 PolarHBondContact O-N 3.28Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.24Å; I228-T231 WeakPolarHBondContact O-CA 3.26Å; I228-T231 VanDerWaalsContact O-CB 3.3Å; I228-T231 WeakPolarHBondContact O-CB 3.47Å; I228-T231 PolarHBondContact O-N 3.46Å; I228-V232 PolarHBondContact O-N 2.82Å; I228-L261 HydrophobicContact CG1-CD1 3.96Å; I228-L261 HydrophobicContact CG1-CD2 4.48Å; I228-L401 HydrophobicContact CB-CD2 4.03Å; I228-L401 HydrophobicContact CB-CG 4.39Å; I228-L401 HydrophobicContact CG2-CD1 4.19Å; I228-L401 HydrophobicContact CG2-CD2 3.72Å; I228-L401 HydrophobicContact CG2-CG 3.79Å; I228-I402 HydrophobicContact CD1-CG1 3.9Å; I228-M405 HydrophobicContact CG2-CB 4.34Å; I228-M405 HydrophobicContact CG2-CG 3.8Å; I228-L406 HydrophobicContact CD1-CD1 4.44Å |
| 229 | I | 98.6 | Very high | 97.7 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.6 | -46.2 | 175.9 | -63.7 | 165.6 | 0 | 0 | 0 | 110.3 | T225 K226 T231 V232 E233 L401 | T225-I229 HydrophobicContact CG2-CD1 4.49Å; T225-I229 WeakPolarHBondContact O-CG1 3.17Å; T225-I229 PolarHBondContact O-N 3.28Å; T225-I229 VanDerWaalsContact O-N 3.14Å; K226-I229 PolarHBondContact O-N 3.05Å; I229-T231 PolarHBondContact O-N 2.86Å; I229-V232 PolarHBondContact O-N 2.97Å; I229-V232 VanDerWaalsContact O-N 3.17Å; I229-E233 PolarHBondContact O-N 3.13Å; I229-L401 HydrophobicContact CD1-CD2 4.29Å; I229-L401 HydrophobicContact CG1-CD2 3.64Å |
| 230 | K | 98.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 35% | 0.352 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -25.8 | 175 | -69.8 | -47.6 | -171.3 | -169.1 | 0 | 114.1 | T190 K226 C227 I228 E233 F234 | T190-K230 WeakPolarHBondContact CB-O 3.49Å; T190-K230 WeakPolarHBondContact O-CB 3.31Å; K226-K230 WeakPolarHBondContact O-CG 3.14Å; K226-K230 PolarHBondContact O-N 2.92Å; C227-K230 CarbonylContact O-C 3.5Å; C227-K230 PolarHBondContact O-N 3.02Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.24Å; K230-E233 WeakPolarHBondContact CD-OE2 3.42Å; K230-E233 WeakPolarHBondContact CE-OE2 3.49Å; K230-E233 IonicContact NZ-OE1 3.73Å; K230-E233 PolarHBondContact NZ-OE1 3Å; K230-E233 IonicContact NZ-OE2 2.6Å; K230-E233 PolarHBondContact NZ-OE2 2.93Å; K230-F234 WeakPolarHBondContact O-CB 3.34Å; K230-F234 PolarHBondContact O-N 3.35Å |
| 231 | T | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.4 | -38.4 | 174 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | C227 I228 I229 F234 A235 I260 R264 | C227-T231 PolarHBondContact O-N 3.05Å; C227-T231 PolarHBondContact O-OG1 3.38Å; I228-T231 WeakPolarHBondContact O-CA 3.26Å; I228-T231 VanDerWaalsContact O-CB 3.3Å; I228-T231 WeakPolarHBondContact O-CB 3.47Å; I228-T231 PolarHBondContact O-N 3.46Å; I229-T231 PolarHBondContact O-N 2.86Å; T231-F234 WeakPolarHBondContact O-CB 3.19Å; T231-F234 PolarHBondContact O-N 3.3Å; T231-A235 PolarHBondContact O-N 2.88Å; T231-I260 HydrophobicContact CG2-CB 4.12Å; T231-I260 HydrophobicContact CG2-CD1 3.77Å; T231-I260 HydrophobicContact CG2-CG2 3.84Å; T231-R264 PolarHBondContact OG1-NH1 3.41Å |
| 232 | V | 98.7 | Very high | 98 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | I228 I229 F234 A235 K236 L253 | I228-V232 PolarHBondContact O-N 2.82Å; I229-V232 PolarHBondContact O-N 2.97Å; I229-V232 VanDerWaalsContact O-N 3.17Å; V232-F234 VanDerWaalsContact C-N 3.31Å; V232-F234 PolarHBondContact O-N 2.87Å; V232-A235 PolarHBondContact O-N 3.07Å; V232-K236 HydrophobicContact CG1-CD 4.46Å; V232-K236 WeakPolarHBondContact O-CG 3.36Å; V232-K236 PolarHBondContact O-N 2.85Å; V232-K236 VanDerWaalsContact O-N 3.07Å; V232-L253 HydrophobicContact CG1-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD2 4.29Å |
| 233 | E | 98.7 | Very high | 98.1 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.3 | -41 | 173.9 | -72 | 178 | -159.3 | 0 | 0 | 112 | T190 I229 K230 K236 Q237 | T190-E233 HydrophobicContact CG2-CB 3.92Å; I229-E233 PolarHBondContact O-N 3.13Å; K230-E233 WeakPolarHBondContact CD-OE2 3.42Å; K230-E233 WeakPolarHBondContact CE-OE2 3.49Å; K230-E233 IonicContact NZ-OE1 3.73Å; K230-E233 PolarHBondContact NZ-OE1 3Å; K230-E233 IonicContact NZ-OE2 2.6Å; K230-E233 PolarHBondContact NZ-OE2 2.93Å; E233-K236 PolarHBondContact O-N 3.32Å; E233-Q237 WeakPolarHBondContact O-CG 3.44Å; E233-Q237 PolarHBondContact O-N 2.94Å |
| 234 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 175.4 | 168.3 | -108.5 | 0 | 0 | 0 | 111.1 | A186 H187 T190 K230 T231 V232 K236 Q237 L238 A323 | A186-F234 HydrophobicContact CB-CD2 3.98Å; A186-F234 HydrophobicContact CB-CE2 4.22Å; H187-F234 HydrophobicContact CB-CD2 4.47Å; H187-F234 HydrophobicContact CB-CE2 4.07Å; T190-F234 HydrophobicContact CG2-CB 4.15Å; K230-F234 WeakPolarHBondContact O-CB 3.34Å; K230-F234 PolarHBondContact O-N 3.35Å; T231-F234 WeakPolarHBondContact O-CB 3.19Å; T231-F234 PolarHBondContact O-N 3.3Å; V232-F234 VanDerWaalsContact C-N 3.31Å; V232-F234 PolarHBondContact O-N 2.87Å; F234-K236 VanDerWaalsContact C-N 3.33Å; F234-K236 PolarHBondContact O-N 3.08Å; F234-Q237 PolarHBondContact O-N 3.39Å; F234-L238 HydrophobicContact CE1-CD1 4.04Å; F234-L238 HydrophobicContact CE1-CD2 4.33Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CE2-CD2 3.91Å; F234-L238 HydrophobicContact CZ-CD1 4.27Å; F234-L238 HydrophobicContact CZ-CD2 3.76Å; F234-L238 HydrophobicContact CZ-CG 4.34Å; F234-L238 PolarHBondContact O-N 3.47Å; F234-A323 HydrophobicContact CZ-CB 4.28Å |
| 235 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.1 | -46.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T231 V232 Q237 L238 F241 L253 L326 | T231-A235 PolarHBondContact O-N 2.88Å; V232-A235 PolarHBondContact O-N 3.07Å; A235-Q237 PolarHBondContact O-N 2.65Å; A235-Q237 VanDerWaalsContact O-N 3.17Å; A235-L238 WeakPolarHBondContact O-CB 3.32Å; A235-L238 PolarHBondContact O-N 3.46Å; A235-F241 HydrophobicContact CB-CD1 4.01Å; A235-F241 HydrophobicContact CB-CD2 4.48Å; A235-F241 HydrophobicContact CB-CE1 3.7Å; A235-F241 HydrophobicContact CB-CE2 4.21Å; A235-F241 HydrophobicContact CB-CG 4.39Å; A235-F241 HydrophobicContact CB-CZ 3.82Å; A235-F241 VanDerWaalsContact O-CB 3.25Å; A235-F241 WeakPolarHBondContact O-CB 3.49Å; A235-F241 VanDerWaalsContact O-CD1 3.26Å; A235-F241 WeakPolarHBondContact O-CD1 3.48Å; A235-F241 VanDerWaalsContact O-CG 3.29Å; A235-F241 WeakPolarHBondContact O-CG 3.27Å; A235-L253 HydrophobicContact CB-CD2 3.79Å; A235-L253 HydrophobicContact CB-CG 4.49Å; A235-L326 HydrophobicContact CB-CD2 3.48Å; A235-L326 VanDerWaalsContact CB-CD2 3.48Å |
| 236 | K | 98.6 | Very high | 98.2 | Very high | 126 Ų | 126 | 47.7 Ų | 47.7 | 55% | 0.548 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -23.7 | 178.4 | -72.5 | 178.5 | 177.9 | -178.8 | 0 | 114 | V232 E233 F234 T242 | V232-K236 HydrophobicContact CG1-CD 4.46Å; V232-K236 WeakPolarHBondContact O-CG 3.36Å; V232-K236 PolarHBondContact O-N 2.85Å; V232-K236 VanDerWaalsContact O-N 3.07Å; E233-K236 PolarHBondContact O-N 3.32Å; F234-K236 VanDerWaalsContact C-N 3.33Å; F234-K236 PolarHBondContact O-N 3.08Å; K236-T242 HydrophobicContact CB-CG2 4.39Å |
| 237 | Q | 98.5 | Very high | 98.2 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -88.7 | -8.2 | 177.9 | -67.7 | 179.6 | 44.5 | 0 | 0 | 113.2 | A186 E233 F234 A235 | A186-Q237 HydrophobicContact CB-CB 3.6Å; E233-Q237 WeakPolarHBondContact O-CG 3.44Å; E233-Q237 PolarHBondContact O-N 2.94Å; F234-Q237 PolarHBondContact O-N 3.39Å; A235-Q237 PolarHBondContact O-N 2.65Å; A235-Q237 VanDerWaalsContact O-N 3.17Å |
| 238 | L | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -73.1 | 140.7 | 177.6 | -64.6 | 178 | 0 | 0 | 0 | 111.4 | V183 F234 A235 G240 F241 A323 L326 | V183-L238 HydrophobicContact CG1-CD2 4.18Å; V183-L238 HydrophobicContact CG2-CD2 3.95Å; F234-L238 HydrophobicContact CE1-CD1 4.04Å; F234-L238 HydrophobicContact CE1-CD2 4.33Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CE2-CD2 3.91Å; F234-L238 HydrophobicContact CZ-CD1 4.27Å; F234-L238 HydrophobicContact CZ-CD2 3.76Å; F234-L238 HydrophobicContact CZ-CG 4.34Å; F234-L238 PolarHBondContact O-N 3.47Å; A235-L238 WeakPolarHBondContact O-CB 3.32Å; A235-L238 PolarHBondContact O-N 3.46Å; L238-G240 PolarHBondContact O-N 3.49Å; L238-F241 HydrophobicContact CB-CB 4.13Å; L238-F241 PolarHBondContact O-N 3.04Å; L238-A323 HydrophobicContact CD1-CB 3.77Å; L238-A323 HydrophobicContact CD2-CB 3.87Å; L238-A323 HydrophobicContact CG-CB 4.49Å; L238-L326 HydrophobicContact CD1-CD2 3.66Å |
| 239 | P | 95.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 25% | 0.253 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 124.2 | 176.1 | -23.8 | 34.2 | 0 | 0 | 0 | 111.8 | M179 F241 | M179-P239 HydrophobicContact CG-CG 4.33Å; P239-F241 VanDerWaalsContact C-N 3.29Å; P239-F241 PolarHBondContact O-N 2.98Å |
| 240 | G | 96.1 | Very high | 98.2 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -14 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | L238 T242 T243 | L238-G240 PolarHBondContact O-N 3.49Å; G240-T242 PolarHBondContact O-N 2.98Å; G240-T243 WeakPolarHBondContact O-CB 3.41Å; G240-T243 PolarHBondContact O-N 2.83Å; G240-T243 PolarHBondContact O-OG1 3.26Å |
| 241 | F | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -59.4 | -43.6 | -176.6 | -178.4 | -96.1 | 0 | 0 | 0 | 112.9 | A235 L238 P239 T243 L244 Q249 L252 L253 L326 L327 | A235-F241 HydrophobicContact CB-CD1 4.01Å; A235-F241 HydrophobicContact CB-CD2 4.48Å; A235-F241 HydrophobicContact CB-CE1 3.7Å; A235-F241 HydrophobicContact CB-CE2 4.21Å; A235-F241 HydrophobicContact CB-CG 4.39Å; A235-F241 HydrophobicContact CB-CZ 3.82Å; A235-F241 VanDerWaalsContact O-CB 3.25Å; A235-F241 WeakPolarHBondContact O-CB 3.49Å; A235-F241 VanDerWaalsContact O-CD1 3.26Å; A235-F241 WeakPolarHBondContact O-CD1 3.48Å; A235-F241 VanDerWaalsContact O-CG 3.29Å; A235-F241 WeakPolarHBondContact O-CG 3.27Å; L238-F241 HydrophobicContact CB-CB 4.13Å; L238-F241 PolarHBondContact O-N 3.04Å; P239-F241 VanDerWaalsContact C-N 3.29Å; P239-F241 PolarHBondContact O-N 2.98Å; F241-T243 PolarHBondContact O-N 3.21Å; F241-T243 VanDerWaalsContact O-N 3.14Å; F241-L244 HydrophobicContact CD2-CD1 4.38Å; F241-L244 WeakPolarHBondContact O-CB 3.24Å; F241-L244 PolarHBondContact O-N 2.73Å; F241-Q249 HydrophobicContact CD1-CG 4.26Å; F241-Q249 HydrophobicContact CE1-CB 4Å; F241-Q249 HydrophobicContact CE1-CG 3.7Å; F241-Q249 HydrophobicContact CE2-CG 4.32Å; F241-Q249 HydrophobicContact CZ-CB 3.75Å; F241-Q249 HydrophobicContact CZ-CG 3.73Å; F241-L252 HydrophobicContact CE2-CD1 4.29Å; F241-L253 HydrophobicContact CE1-CD1 4.46Å; F241-L253 HydrophobicContact CZ-CD1 4.05Å; F241-L253 HydrophobicContact CZ-CG 4.03Å; F241-L326 HydrophobicContact CD2-CD2 4.11Å; F241-L326 HydrophobicContact CE2-CD1 4.42Å; F241-L326 HydrophobicContact CE2-CD2 3.94Å; F241-L326 HydrophobicContact CE2-CG 4.21Å; F241-L327 HydrophobicContact CD2-CD2 4.06Å |
| 242 | T | 97.9 | Very high | 98.1 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -71 | -6.2 | 179.7 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | K236 G240 | K236-T242 HydrophobicContact CB-CG2 4.39Å; G240-T242 PolarHBondContact O-N 2.98Å |
| 243 | T | 98.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -90.2 | -9.2 | 176.5 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | G240 F241 K339 | G240-T243 WeakPolarHBondContact O-CB 3.41Å; G240-T243 PolarHBondContact O-N 2.83Å; G240-T243 PolarHBondContact O-OG1 3.26Å; F241-T243 PolarHBondContact O-N 3.21Å; F241-T243 VanDerWaalsContact O-N 3.14Å; T243-K339 PolarHBondContact O-NZ 2.9Å |
| 244 | L | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -75.9 | 160.2 | 171.9 | -63.8 | 173.9 | 0 | 0 | 0 | 110.7 | F241 D248 Q249 L252 L327 K339 V340 L343 | F241-L244 HydrophobicContact CD2-CD1 4.38Å; F241-L244 WeakPolarHBondContact O-CB 3.24Å; F241-L244 PolarHBondContact O-N 2.73Å; L244-D248 HydrophobicContact CB-CB 4.41Å; L244-Q249 HydrophobicContact CB-CG 4.03Å; L244-Q249 PolarHBondContact O-NE2 3Å; L244-L252 HydrophobicContact CD1-CD1 3.62Å; L244-L327 HydrophobicContact CD1-CD2 4.07Å; L244-K339 HydrophobicContact CD2-CB 4.47Å; L244-K339 HydrophobicContact CD2-CD 3.93Å; L244-K339 HydrophobicContact CD2-CG 3.99Å; L244-V340 HydrophobicContact CD1-CG2 4.16Å; L244-V340 HydrophobicContact CD2-CG2 4.05Å; L244-L343 HydrophobicContact CD1-CD1 4.04Å; L244-L343 HydrophobicContact CD2-CD1 3.79Å; L244-L343 HydrophobicContact CG-CD1 3.87Å |
| 245 | T | 98.4 | Very high | 97.9 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 23% | 0.233 | 25% | 0.247 | C | C | . | . | trans | -62.4 | 153.7 | 174.7 | 79.5 | 0 | 0 | 0 | 0 | 110.7 | A247 D248 Q249 E335 E336 | T245-A247 PolarHBondContact O-N 3.43Å; T245-D248 PolarHBondContact O-N 2.91Å; T245-D248 WeakPolarHBondContact OG1-CB 3.14Å; T245-D248 PolarHBondContact OG1-N 3.04Å; T245-D248 VanDerWaalsContact OG1-N 3.14Å; T245-Q249 WeakPolarHBondContact O-CG 3.33Å; T245-Q249 PolarHBondContact O-N 3.48Å; T245-E335 VanDerWaalsContact CB-OE2 3.24Å; T245-E335 WeakPolarHBondContact CB-OE2 3.26Å; T245-E335 VanDerWaalsContact CG2-OE2 3.28Å; T245-E335 WeakPolarHBondContact CG2-OE2 3.29Å; T245-E335 PolarHBondContact OG1-OE2 2.81Å; T245-E336 HydrophobicContact CG2-CG 4.31Å | ||
| 246 | I | 98.1 | Very high | 97.9 | Very high | 117 Ų | 117 | 43.8 Ų | 43.8 | 60% | 0.6 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.6 | -34.7 | 179.2 | -61 | -61.5 | 0 | 0 | 0 | 110.6 | Q249 I250 | I246-Q249 PolarHBondContact O-N 3.1Å; I246-I250 HydrophobicContact CG2-CD1 3.94Å; I246-I250 WeakPolarHBondContact O-CD1 3.5Å; I246-I250 VanDerWaalsContact O-CG1 3.26Å; I246-I250 WeakPolarHBondContact O-CG1 3.49Å; I246-I250 PolarHBondContact O-N 3.46Å |
| 247 | A | 97.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.6 | -51.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T245 Q249 I250 T251 | T245-A247 PolarHBondContact O-N 3.43Å; A247-Q249 PolarHBondContact O-N 3.16Å; A247-I250 WeakPolarHBondContact O-CB 3.34Å; A247-I250 PolarHBondContact O-N 3.31Å; A247-I250 VanDerWaalsContact O-N 3.11Å; A247-T251 PolarHBondContact O-N 2.89Å; A247-T251 PolarHBondContact O-OG1 3.26Å |
| 248 | D | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.7 | -73.6 | -2.8 | 0 | 0 | 0 | 112.3 | L244 T245 I250 T251 L252 L334 E335 E336 | L244-D248 HydrophobicContact CB-CB 4.41Å; T245-D248 PolarHBondContact O-N 2.91Å; T245-D248 WeakPolarHBondContact OG1-CB 3.14Å; T245-D248 PolarHBondContact OG1-N 3.04Å; T245-D248 VanDerWaalsContact OG1-N 3.14Å; D248-I250 VanDerWaalsContact C-N 3.29Å; D248-I250 PolarHBondContact O-N 2.86Å; D248-T251 PolarHBondContact O-N 2.98Å; D248-L252 WeakPolarHBondContact O-CB 3.31Å; D248-L252 WeakPolarHBondContact O-CG 3.41Å; D248-L252 PolarHBondContact O-N 3.48Å; D248-L334 HydrophobicContact CB-CD2 3.95Å; D248-L334 WeakPolarHBondContact OD1-CA 3.29Å; D248-E335 PolarHBondContact OD1-N 2.9Å; D248-E336 PolarHBondContact OD2-N 2.96Å |
| 249 | Q | 98.6 | Very high | 97.8 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -41.9 | 175.2 | -71.9 | 179.5 | 52.3 | 0 | 0 | 111.8 | F241 L244 T245 I246 A247 L253 | F241-Q249 HydrophobicContact CD1-CG 4.26Å; F241-Q249 HydrophobicContact CE1-CB 4Å; F241-Q249 HydrophobicContact CE1-CG 3.7Å; F241-Q249 HydrophobicContact CE2-CG 4.32Å; F241-Q249 HydrophobicContact CZ-CB 3.75Å; F241-Q249 HydrophobicContact CZ-CG 3.73Å; L244-Q249 HydrophobicContact CB-CG 4.03Å; L244-Q249 PolarHBondContact O-NE2 3Å; T245-Q249 WeakPolarHBondContact O-CG 3.33Å; T245-Q249 PolarHBondContact O-N 3.48Å; I246-Q249 PolarHBondContact O-N 3.1Å; A247-Q249 PolarHBondContact O-N 3.16Å; Q249-L253 VanDerWaalsContact O-CB 3.29Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 WeakPolarHBondContact O-CD1 3.43Å; Q249-L253 VanDerWaalsContact O-CG 3.3Å; Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.14Å |
| 250 | I | 97.6 | Very high | 98 | Very high | 83 Ų | 83 | 33.5 Ų | 33.5 | 43% | 0.426 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.5 | -48 | 176.7 | -68.7 | 164.8 | 0 | 0 | 0 | 110.3 | I246 A247 D248 L252 L253 K254 | I246-I250 HydrophobicContact CG2-CD1 3.94Å; I246-I250 WeakPolarHBondContact O-CD1 3.5Å; I246-I250 VanDerWaalsContact O-CG1 3.26Å; I246-I250 WeakPolarHBondContact O-CG1 3.49Å; I246-I250 PolarHBondContact O-N 3.46Å; A247-I250 WeakPolarHBondContact O-CB 3.34Å; A247-I250 PolarHBondContact O-N 3.31Å; A247-I250 VanDerWaalsContact O-N 3.11Å; D248-I250 VanDerWaalsContact C-N 3.29Å; D248-I250 PolarHBondContact O-N 2.86Å; I250-L252 PolarHBondContact O-N 3.35Å; I250-L253 PolarHBondContact O-N 3.31Å; I250-K254 HydrophobicContact CG2-CD 4.06Å; I250-K254 HydrophobicContact CG2-CG 4.28Å; I250-K254 WeakPolarHBondContact O-CB 3.37Å; I250-K254 WeakPolarHBondContact O-CG 3.28Å; I250-K254 PolarHBondContact O-N 3.35Å |
| 251 | T | 97.9 | Very high | 98.1 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 20% | 0.202 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -49.6 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | A247 D248 K254 A255 R331 Q332 L334 | A247-T251 PolarHBondContact O-N 2.89Å; A247-T251 PolarHBondContact O-OG1 3.26Å; D248-T251 PolarHBondContact O-N 2.98Å; T251-K254 PolarHBondContact O-N 2.97Å; T251-A255 VanDerWaalsContact O-CB 3.24Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 2.62Å; T251-R331 HydrophobicContact CG2-CB 4.18Å; T251-Q332 WeakPolarHBondContact CG2-O 3.44Å; T251-L334 HydrophobicContact CG2-CD2 3.83Å; T251-L334 HydrophobicContact CG2-CG 4.27Å |
| 252 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 178.5 | -66.6 | 171.4 | 0 | 0 | 0 | 112 | F241 L244 D248 I250 A255 A256 L326 L327 R331 L334 V340 | F241-L252 HydrophobicContact CE2-CD1 4.29Å; L244-L252 HydrophobicContact CD1-CD1 3.62Å; D248-L252 WeakPolarHBondContact O-CB 3.31Å; D248-L252 WeakPolarHBondContact O-CG 3.41Å; D248-L252 PolarHBondContact O-N 3.48Å; I250-L252 PolarHBondContact O-N 3.35Å; L252-A255 PolarHBondContact O-N 2.93Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.3Å; L252-L326 HydrophobicContact CB-CD1 4.26Å; L252-L326 WeakPolarHBondContact CD2-O 3.37Å; L252-L327 HydrophobicContact CD1-CD2 4.3Å; L252-R331 HydrophobicContact CD2-CG 3.97Å; L252-L334 HydrophobicContact CD2-CD1 4.24Å; L252-L334 HydrophobicContact CD2-CD2 4.02Å; L252-L334 HydrophobicContact CG-CD2 4.02Å; L252-V340 HydrophobicContact CD1-CG1 4.16Å; L252-V340 HydrophobicContact CD1-CG2 4.05Å; L252-V340 HydrophobicContact CD2-CG1 3.93Å |
| 253 | L | 98.4 | Very high | 98.1 | Very high | 16 Ų | 16 | 30 Ų | 30 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 178.9 | -82.1 | 166.5 | 0 | 0 | 0 | 111.6 | V232 A235 F241 Q249 I250 A255 A256 C257 L326 M405 | V232-L253 HydrophobicContact CG1-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD1 4.23Å; V232-L253 HydrophobicContact CG2-CD2 4.29Å; A235-L253 HydrophobicContact CB-CD2 3.79Å; A235-L253 HydrophobicContact CB-CG 4.49Å; F241-L253 HydrophobicContact CE1-CD1 4.46Å; F241-L253 HydrophobicContact CZ-CD1 4.05Å; F241-L253 HydrophobicContact CZ-CG 4.03Å; Q249-L253 VanDerWaalsContact O-CB 3.29Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 WeakPolarHBondContact O-CD1 3.43Å; Q249-L253 VanDerWaalsContact O-CG 3.3Å; Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.14Å; I250-L253 PolarHBondContact O-N 3.31Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; L253-A256 PolarHBondContact O-N 3.5Å; L253-C257 WeakPolarHBondContact O-CA 3.27Å; L253-C257 WeakPolarHBondContact O-CB 3.45Å; L253-C257 PolarHBondContact O-N 3.49Å; L253-L326 HydrophobicContact CD2-CD1 3.94Å; L253-L326 HydrophobicContact CG-CD1 4.22Å; L253-M405 HydrophobicContact CB-CE 3.84Å |
| 254 | K | 96.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 26.1 Ų | 26.1 | 33% | 0.326 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 177.4 | -74.8 | -170.5 | 174.5 | -162.8 | 0 | 111.2 | I250 T251 A256 E404 M405 | I250-K254 HydrophobicContact CG2-CD 4.06Å; I250-K254 HydrophobicContact CG2-CG 4.28Å; I250-K254 WeakPolarHBondContact O-CB 3.37Å; I250-K254 WeakPolarHBondContact O-CG 3.28Å; I250-K254 PolarHBondContact O-N 3.35Å; T251-K254 PolarHBondContact O-N 2.97Å; K254-A256 VanDerWaalsContact C-N 3.35Å; K254-A256 PolarHBondContact O-N 2.88Å; K254-E404 WeakPolarHBondContact CE-O 3.41Å; K254-E404 PolarHBondContact NZ-O 3.28Å; K254-M405 HydrophobicContact CG-CE 4.13Å; K254-M405 HydrophobicContact CG-SD 4.22Å |
| 255 | A | 96.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 26.6 Ų | 26.6 | 32% | 0.322 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -72.1 | -24.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T251 L252 L253 R331 | T251-A255 VanDerWaalsContact O-CB 3.24Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 2.62Å; L252-A255 PolarHBondContact O-N 2.93Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; A255-R331 HydrophobicContact CB-CG 3.95Å; A255-R331 PolarHBondContact O-NH1 3.03Å; A255-R331 PolarHBondContact O-NH2 3.21Å |
| 256 | A | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -112.1 | -8.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L252 L253 K254 L258 D259 I260 C325 L326 | L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.3Å; L253-A256 PolarHBondContact O-N 3.5Å; K254-A256 VanDerWaalsContact C-N 3.35Å; K254-A256 PolarHBondContact O-N 2.88Å; A256-L258 VanDerWaalsContact C-N 3.31Å; A256-L258 PolarHBondContact O-N 3.21Å; A256-D259 WeakPolarHBondContact O-CB 3.32Å; A256-D259 PolarHBondContact O-N 2.91Å; A256-D259 VanDerWaalsContact O-N 3.17Å; A256-I260 HydrophobicContact CB-CD1 4.27Å; A256-I260 WeakPolarHBondContact O-CG1 3.47Å; A256-I260 PolarHBondContact O-N 2.73Å; A256-C325 WeakPolarHBondContact CB-O 3.29Å; A256-L326 HydrophobicContact CB-CB 4.42Å; A256-L326 HydrophobicContact CB-CD1 4.09Å |
| 257 | C | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.1 | -49.6 | -173.2 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | L253 D259 I260 L261 M405 L406 | L253-C257 WeakPolarHBondContact O-CA 3.27Å; L253-C257 WeakPolarHBondContact O-CB 3.45Å; L253-C257 PolarHBondContact O-N 3.49Å; C257-D259 PolarHBondContact O-N 3.34Å; C257-I260 PolarHBondContact O-N 3.33Å; C257-L261 VanDerWaalsContact O-CG 3.29Å; C257-L261 WeakPolarHBondContact O-CG 3.22Å; C257-L261 PolarHBondContact O-N 2.82Å; C257-M405 HydrophobicContact CB-CE 4.05Å; C257-L406 HydrophobicContact CB-CD2 3.88Å |
| 258 | L | 97.8 | Very high | 98 | Very high | 29 Ų | 29 | 19.9 Ų | 19.9 | 15% | 0.152 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | -177.4 | -156.3 | 70.1 | 0 | 0 | 0 | 112.9 | A256 I260 L261 I262 S380 L406 | A256-L258 VanDerWaalsContact C-N 3.31Å; A256-L258 PolarHBondContact O-N 3.21Å; L258-I260 VanDerWaalsContact C-N 3.31Å; L258-I260 PolarHBondContact O-N 3.07Å; L258-L261 HydrophobicContact CD1-CD1 4.47Å; L258-L261 PolarHBondContact O-N 2.91Å; L258-I262 HydrophobicContact CD2-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 3.98Å; L258-I262 WeakPolarHBondContact O-CB 3.4Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.14Å; L258-I262 PolarHBondContact O-N 3.41Å; L258-S380 WeakPolarHBondContact CD2-O 3.5Å; L258-L406 HydrophobicContact CB-CD2 4.24Å; L258-L406 HydrophobicContact CD1-CD1 3.92Å; L258-L406 HydrophobicContact CD1-CD2 3.98Å; L258-L406 HydrophobicContact CD1-CG 4.49Å |
| 259 | D | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.3 | -48.3 | 172.9 | -65 | -37.8 | 0 | 0 | 0 | 110.2 | A256 C257 I262 L263 C325 R331 L376 S380 | A256-D259 WeakPolarHBondContact O-CB 3.32Å; A256-D259 PolarHBondContact O-N 2.91Å; A256-D259 VanDerWaalsContact O-N 3.17Å; C257-D259 PolarHBondContact O-N 3.34Å; D259-I262 PolarHBondContact O-N 2.94Å; D259-L263 WeakPolarHBondContact O-CB 3.48Å; D259-L263 PolarHBondContact O-N 3.48Å; D259-C325 HydrophobicContact CB-CB 4.37Å; D259-R331 IonicContact OD2-NH2 3.46Å; D259-L376 HydrophobicContact CB-CD2 3.92Å; D259-L376 HydrophobicContact CB-CG 4.08Å; D259-S380 WeakPolarHBondContact CA-OG 3.48Å; D259-S380 PolarHBondContact N-OG 3.4Å; D259-S380 WeakPolarHBondContact OD1-CB 3.24Å; D259-S380 PolarHBondContact OD1-OG 3.17Å |
| 260 | I | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | -178.1 | -62.1 | 165.7 | 0 | 0 | 0 | 110.8 | T231 A256 C257 L258 L263 R264 L326 | T231-I260 HydrophobicContact CG2-CB 4.12Å; T231-I260 HydrophobicContact CG2-CD1 3.77Å; T231-I260 HydrophobicContact CG2-CG2 3.84Å; A256-I260 HydrophobicContact CB-CD1 4.27Å; A256-I260 WeakPolarHBondContact O-CG1 3.47Å; A256-I260 PolarHBondContact O-N 2.73Å; C257-I260 PolarHBondContact O-N 3.33Å; L258-I260 VanDerWaalsContact C-N 3.31Å; L258-I260 PolarHBondContact O-N 3.07Å; I260-L263 PolarHBondContact O-N 3.26Å; I260-R264 HydrophobicContact CG2-CG 4.31Å; I260-R264 WeakPolarHBondContact O-CB 3.39Å; I260-R264 VanDerWaalsContact O-CG 3.25Å; I260-R264 WeakPolarHBondContact O-CG 3.42Å; I260-R264 PolarHBondContact O-N 3.42Å; I260-L326 HydrophobicContact CD1-CB 4.15Å; I260-L326 HydrophobicContact CD1-CD1 4.37Å |
| 261 | L | 98.5 | Very high | 97.7 | Very high | 25 Ų | 25 | 19 Ų | 19 | 13% | 0.131 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 177.3 | -68.6 | 176.1 | 0 | 0 | 0 | 111.7 | C227 I228 C257 L258 R264 I265 L406 | C227-L261 HydrophobicContact CB-CD2 3.79Å; C227-L261 WeakPolarHBondContact SG-CD2 3.19Å; I228-L261 HydrophobicContact CG1-CD1 3.96Å; I228-L261 HydrophobicContact CG1-CD2 4.48Å; C257-L261 VanDerWaalsContact O-CG 3.29Å; C257-L261 WeakPolarHBondContact O-CG 3.22Å; C257-L261 PolarHBondContact O-N 2.82Å; L258-L261 HydrophobicContact CD1-CD1 4.47Å; L258-L261 PolarHBondContact O-N 2.91Å; L261-R264 PolarHBondContact O-N 2.86Å; L261-I265 WeakPolarHBondContact O-CG2 3.31Å; L261-I265 PolarHBondContact O-N 2.87Å; L261-L406 HydrophobicContact CD1-CD1 4.48Å; L261-L406 HydrophobicContact CD1-CD2 4.41Å |
| 262 | I | 98.7 | Very high | 97.5 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 7% | 0.067 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -44.9 | 179.4 | -69 | 166.8 | 0 | 0 | 0 | 110.7 | L258 D259 R264 I265 C266 L376 I379 | L258-I262 HydrophobicContact CD2-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 3.98Å; L258-I262 WeakPolarHBondContact O-CB 3.4Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.14Å; L258-I262 PolarHBondContact O-N 3.41Å; D259-I262 PolarHBondContact O-N 2.94Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 3.31Å; I262-I265 WeakPolarHBondContact O-CG2 3.38Å; I262-I265 PolarHBondContact O-N 2.84Å; I262-C266 WeakPolarHBondContact O-CB 3.36Å; I262-C266 PolarHBondContact O-N 3.34Å; I262-C266 PolarHBondContact O-SG 2.8Å; I262-L376 HydrophobicContact CB-CD1 3.82Å; I262-L376 HydrophobicContact CG2-CD1 3.53Å; I262-I379 HydrophobicContact CD1-CG2 3.94Å; I262-I379 HydrophobicContact CG2-CG2 4.31Å |
| 263 | L | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 176.5 | 179.4 | 60.1 | 0 | 0 | 0 | 111 | D259 I260 C266 T267 F304 L308 T318 L321 L376 | D259-L263 WeakPolarHBondContact O-CB 3.48Å; D259-L263 PolarHBondContact O-N 3.48Å; I260-L263 PolarHBondContact O-N 3.26Å; L263-C266 PolarHBondContact O-N 2.97Å; L263-T267 PolarHBondContact O-N 3.41Å; L263-T267 VanDerWaalsContact O-N 3.14Å; L263-F304 HydrophobicContact CD1-CE1 4.42Å; L263-L308 HydrophobicContact CD1-CD1 3.98Å; L263-T318 HydrophobicContact CD2-CG2 4.47Å; L263-T318 HydrophobicContact CG-CG2 4.35Å; L263-L321 HydrophobicContact CD1-CD2 4.28Å; L263-L321 HydrophobicContact CD2-CB 4.2Å; L263-L321 HydrophobicContact CD2-CD2 4.04Å; L263-L321 HydrophobicContact CD2-CG 4.29Å; L263-L376 HydrophobicContact CB-CD2 4.08Å |
| 264 | R | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 178.4 | -82.5 | 179 | 175.2 | -160.5 | -9.6 | 112.8 | T190 F191 T231 I260 L261 I262 C266 T267 R268 | T190-R264 PolarHBondContact OG1-NH2 2.94Å; F191-R264 HydrophobicContact CD1-CB 4.33Å; F191-R264 HydrophobicContact CD1-CG 4.03Å; F191-R264 HydrophobicContact CD2-CB 4.2Å; F191-R264 HydrophobicContact CD2-CG 4.1Å; F191-R264 HydrophobicContact CE1-CB 3.84Å; F191-R264 HydrophobicContact CE1-CG 4.03Å; F191-R264 WeakPolarHBondContact CE1-O 3.21Å; F191-R264 HydrophobicContact CE2-CB 3.71Å; F191-R264 HydrophobicContact CE2-CG 4.13Å; F191-R264 HydrophobicContact CG-CB 4.49Å; F191-R264 HydrophobicContact CG-CG 4.04Å; F191-R264 HydrophobicContact CZ-CB 3.5Å; F191-R264 VanDerWaalsContact CZ-CB 3.5Å; F191-R264 HydrophobicContact CZ-CG 4.08Å; F191-R264 WeakPolarHBondContact CZ-O 3.41Å; T231-R264 PolarHBondContact OG1-NH1 3.41Å; I260-R264 HydrophobicContact CG2-CG 4.31Å; I260-R264 WeakPolarHBondContact O-CB 3.39Å; I260-R264 VanDerWaalsContact O-CG 3.25Å; I260-R264 WeakPolarHBondContact O-CG 3.42Å; I260-R264 PolarHBondContact O-N 3.42Å; L261-R264 PolarHBondContact O-N 2.86Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 3.31Å; R264-C266 VanDerWaalsContact C-N 3.29Å; R264-C266 PolarHBondContact O-N 3.46Å; R264-T267 PolarHBondContact O-N 2.69Å; R264-T267 PolarHBondContact O-OG1 3.24Å; R264-R268 WeakPolarHBondContact O-CG 3.4Å |
| 265 | I | 98.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.087 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.8 | -31 | 179.5 | -164.6 | 62.4 | 0 | 0 | 0 | 111.8 | L261 I262 T267 R268 M276 F278 M289 V301 | L261-I265 WeakPolarHBondContact O-CG2 3.31Å; L261-I265 PolarHBondContact O-N 2.87Å; I262-I265 WeakPolarHBondContact O-CG2 3.38Å; I262-I265 PolarHBondContact O-N 2.84Å; I265-T267 PolarHBondContact O-N 3.45Å; I265-R268 HydrophobicContact CD1-CB 4.45Å; I265-R268 WeakPolarHBondContact O-CB 3.32Å; I265-R268 PolarHBondContact O-N 3.38Å; I265-M276 HydrophobicContact CD1-CB 4.21Å; I265-M276 HydrophobicContact CG1-CB 4.22Å; I265-M276 HydrophobicContact CG1-SD 3.98Å; I265-F278 HydrophobicContact CD1-CD1 4.05Å; I265-F278 HydrophobicContact CD1-CE1 3.98Å; I265-F278 HydrophobicContact CD1-CG 4.41Å; I265-F278 HydrophobicContact CD1-CZ 4.28Å; I265-M289 HydrophobicContact CG1-CE 4.28Å; I265-V301 HydrophobicContact CG2-CG1 4.32Å |
| 266 | C | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69 | -30.4 | 176.7 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | I262 L263 R264 R268 Y269 V301 F304 A305 L308 | I262-C266 WeakPolarHBondContact O-CB 3.36Å; I262-C266 PolarHBondContact O-N 3.34Å; I262-C266 PolarHBondContact O-SG 2.8Å; L263-C266 PolarHBondContact O-N 2.97Å; R264-C266 VanDerWaalsContact C-N 3.29Å; R264-C266 PolarHBondContact O-N 3.46Å; C266-R268 PolarHBondContact O-N 3.13Å; C266-Y269 WeakPolarHBondContact O-CB 3.36Å; C266-Y269 PolarHBondContact O-N 3.43Å; C266-V301 PolarHBondContact SG-O 3.5Å; C266-F304 HydrophobicContact CB-CD1 4.17Å; C266-A305 HydrophobicContact CB-CB 3.89Å; C266-L308 HydrophobicContact CB-CD1 3.8Å |
| 267 | T | 96.7 | Very high | 97.4 | Very high | 49 Ų | 49 | 27.1 Ų | 27.1 | 30% | 0.301 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.3 | 171.4 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | L263 R264 I265 T318 | L263-T267 PolarHBondContact O-N 3.41Å; L263-T267 VanDerWaalsContact O-N 3.14Å; R264-T267 PolarHBondContact O-N 2.69Å; R264-T267 PolarHBondContact O-OG1 3.24Å; I265-T267 PolarHBondContact O-N 3.45Å; T267-T318 HydrophobicContact CG2-CG2 3.84Å |
| 268 | R | 96.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 11.5 | 173.6 | -59.1 | -73.1 | -166.4 | 63.3 | 3.1 | 113.4 | F191 P192 L194 R264 I265 C266 T277 | F191-R268 HydrophobicContact CE1-CG 3.91Å; F191-R268 VanDerWaalsContact CE1-CZ 3.43Å; F191-R268 VanDerWaalsContact CE1-NE 3.27Å; F191-R268 VanDerWaalsContact CE2-CZ 3.49Å; F191-R268 HydrophobicContact CZ-CG 3.59Å; F191-R268 VanDerWaalsContact CZ-NE 3.34Å; P192-R268 VanDerWaalsContact O-CZ 3.24Å; P192-R268 PolarHBondContact O-NE 2.96Å; P192-R268 VanDerWaalsContact O-NE 3.15Å; P192-R268 PolarHBondContact O-NH2 2.95Å; L194-R268 HydrophobicContact CD1-CB 4.41Å; R264-R268 WeakPolarHBondContact O-CG 3.4Å; I265-R268 HydrophobicContact CD1-CB 4.45Å; I265-R268 WeakPolarHBondContact O-CB 3.32Å; I265-R268 PolarHBondContact O-N 3.38Å; C266-R268 PolarHBondContact O-N 3.13Å; R268-T277 VanDerWaalsContact CB-O 3.23Å; R268-T277 WeakPolarHBondContact CB-O 3.4Å; R268-T277 WeakPolarHBondContact CG-O 3.08Å; R268-T277 PolarHBondContact NH1-O 3.25Å; R268-T277 PolarHBondContact O-N 3.28Å |
| 269 | Y | 97.9 | Very high | 97.1 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 8% | 0.082 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.7 | 177.8 | -178.9 | -123.9 | 0 | 0 | 0 | 111.6 | C266 P271 D274 T275 M276 F302 A305 N306 L309 | C266-Y269 WeakPolarHBondContact O-CB 3.36Å; C266-Y269 PolarHBondContact O-N 3.43Å; Y269-P271 HydrophobicContact CD1-CG 4.08Å; Y269-P271 HydrophobicContact CE1-CB 4.09Å; Y269-P271 HydrophobicContact CE1-CG 3.95Å; Y269-D274 VanDerWaalsContact CE2-OD1 3.31Å; Y269-D274 WeakPolarHBondContact CE2-OD1 3.09Å; Y269-D274 PolarHBondContact OH-OD1 3.02Å; Y269-T275 WeakPolarHBondContact CA-O 3.41Å; Y269-T275 WeakPolarHBondContact CD2-O 3.35Å; Y269-M276 HydrophobicContact CD2-CE 3.98Å; Y269-M276 HydrophobicContact CD2-CG 4.05Å; Y269-M276 HydrophobicContact CG-CE 4.35Å; Y269-F302 HydrophobicContact CD2-CD1 4.03Å; Y269-F302 HydrophobicContact CD2-CE1 4.01Å; Y269-F302 AromaticContact CE2-CD1 3.48Å; Y269-F302 HydrophobicContact CE2-CD1 3.48Å; Y269-F302 VanDerWaalsContact CE2-CD1 3.48Å; Y269-F302 AromaticContact CE2-CE1 3.62Å; Y269-F302 HydrophobicContact CE2-CE1 3.62Å; Y269-A305 HydrophobicContact CD1-CB 3.89Å; Y269-A305 HydrophobicContact CG-CB 3.83Å; Y269-N306 PolarHBondContact OH-ND2 2.94Å; Y269-L309 HydrophobicContact CD1-CD1 4.41Å; Y269-L309 HydrophobicContact CD1-CD2 4.34Å; Y269-L309 HydrophobicContact CE1-CD1 4.22Å |
| 270 | T | 96.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 10% | 0.104 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 104.6 | 173.1 | -45.8 | 0 | 0 | 0 | 0 | 108.6 | E272 Q273 D274 T275 | T270-E272 VanDerWaalsContact C-N 3.33Å; T270-E272 PolarHBondContact O-N 3.43Å; T270-Q273 PolarHBondContact O-N 3.29Å; T270-D274 PolarHBondContact O-N 3.46Å; T270-D274 VanDerWaalsContact O-N 3.07Å; T270-T275 PolarHBondContact N-O 3Å; T270-T275 PolarHBondContact O-N 3.16Å |
| 271 | P | 94.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 32% | 0.318 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -35.9 | -171.3 | -25.2 | 35.1 | 0 | 0 | 0 | 114.2 | Y269 Q273 D274 L309 | Y269-P271 HydrophobicContact CD1-CG 4.08Å; Y269-P271 HydrophobicContact CE1-CB 4.09Å; Y269-P271 HydrophobicContact CE1-CG 3.95Å; P271-Q273 PolarHBondContact O-N 2.82Å; P271-D274 PolarHBondContact O-N 3.37Å; P271-L309 HydrophobicContact CB-CD1 4.19Å; P271-L309 HydrophobicContact CG-CD1 3.57Å; P271-L309 HydrophobicContact CG-CD2 3.73Å; P271-L309 HydrophobicContact CG-CG 4.31Å |
| 272 | E | 94.1 | Very high | 96.6 | Very high | 148 Ų | 148 | 30.8 Ų | 30.8 | 69% | 0.692 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.2 | -174 | -63.4 | 71.6 | -154.2 | 0 | 0 | 112.4 | T270 | T270-E272 VanDerWaalsContact C-N 3.33Å; T270-E272 PolarHBondContact O-N 3.43Å |
| 273 | Q | 93.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 30.7 Ų | 30.7 | 57% | 0.57 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -1 | 179.2 | -63.3 | 79.6 | 31.2 | 0 | 0 | 113.3 | T270 P271 T275 | T270-Q273 PolarHBondContact O-N 3.29Å; P271-Q273 PolarHBondContact O-N 2.82Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 HydrophobicContact CB-CG2 3.92Å; Q273-T275 VanDerWaalsContact O-CG2 3.29Å; Q273-T275 WeakPolarHBondContact O-CG2 3.38Å; Q273-T275 PolarHBondContact O-N 2.87Å |
| 274 | D | 97.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 25% | 0.246 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 48 | -173.6 | -162.7 | 41.5 | 0 | 0 | 0 | 112.6 | Y269 T270 P271 R286 F302 | Y269-D274 VanDerWaalsContact CE2-OD1 3.31Å; Y269-D274 WeakPolarHBondContact CE2-OD1 3.09Å; Y269-D274 PolarHBondContact OH-OD1 3.02Å; T270-D274 PolarHBondContact O-N 3.46Å; T270-D274 VanDerWaalsContact O-N 3.07Å; P271-D274 PolarHBondContact O-N 3.37Å; D274-R286 PolarHBondContact O-N 2.99Å; D274-R286 IonicContact OD1-CZ 3.44Å; D274-R286 IonicContact OD1-NE 2.8Å; D274-R286 IonicContact OD1-NH2 2.9Å; D274-R286 PolarHBondContact OD1-NH2 3.17Å; D274-R286 WeakPolarHBondContact OD2-CB 3.49Å; D274-R286 IonicContact OD2-CZ 3.72Å; D274-R286 IonicContact OD2-NE 3.22Å; D274-R286 PolarHBondContact OD2-NE 3.48Å; D274-R286 IonicContact OD2-NH2 3.76Å; D274-R286 PolarHBondContact OD2-NH2 3.26Å; D274-F302 WeakPolarHBondContact O-CE1 3.44Å; D274-F302 WeakPolarHBondContact OD1-CD1 3.46Å |
| 275 | T | 97.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153 | -174.5 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | Y269 T270 Q273 T283 L284 N285 | Y269-T275 WeakPolarHBondContact CA-O 3.41Å; Y269-T275 WeakPolarHBondContact CD2-O 3.35Å; T270-T275 PolarHBondContact N-O 3Å; T270-T275 PolarHBondContact O-N 3.16Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 HydrophobicContact CB-CG2 3.92Å; Q273-T275 VanDerWaalsContact O-CG2 3.29Å; Q273-T275 WeakPolarHBondContact O-CG2 3.38Å; Q273-T275 PolarHBondContact O-N 2.87Å; T275-T283 HydrophobicContact CG2-CG2 4.17Å; T275-L284 CarbonylContact C-O 3.49Å; T275-L284 WeakPolarHBondContact CA-O 3.35Å; T275-L284 WeakPolarHBondContact CB-O 3.36Å; T275-N285 HydrophobicContact CG2-CB 3.92Å |
| 276 | M | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.2 | 170.4 | -67.9 | 179.1 | 179.9 | 0 | 0 | 110.5 | I265 Y269 T283 L284 M289 V301 F302 A305 | I265-M276 HydrophobicContact CD1-CB 4.21Å; I265-M276 HydrophobicContact CG1-CB 4.22Å; I265-M276 HydrophobicContact CG1-SD 3.98Å; Y269-M276 HydrophobicContact CD2-CE 3.98Å; Y269-M276 HydrophobicContact CD2-CG 4.05Å; Y269-M276 HydrophobicContact CG-CE 4.35Å; M276-T283 WeakPolarHBondContact O-CA 3.5Å; M276-L284 PolarHBondContact N-O 3.12Å; M276-L284 PolarHBondContact O-N 3.46Å; M276-M289 HydrophobicContact CB-CE 4.3Å; M276-M289 HydrophobicContact CB-SD 4.33Å; M276-M289 HydrophobicContact SD-CE 3.9Å; M276-V301 HydrophobicContact CE-CG1 4.09Å; M276-V301 HydrophobicContact SD-CG1 4.28Å; M276-F302 HydrophobicContact CE-CB 4.39Å; M276-F302 HydrophobicContact CE-CD1 3.89Å; M276-F302 HydrophobicContact CE-CD2 3.64Å; M276-F302 HydrophobicContact CE-CE1 4.04Å; M276-F302 HydrophobicContact CE-CE2 3.8Å; M276-F302 HydrophobicContact CE-CG 3.7Å; M276-F302 HydrophobicContact CE-CZ 4.01Å; M276-F302 HydrophobicContact CG-CE1 4.31Å; M276-F302 HydrophobicContact CG-CE2 4.41Å; M276-F302 HydrophobicContact CG-CZ 3.99Å; M276-F302 HydrophobicContact SD-CD2 4.22Å; M276-F302 HydrophobicContact SD-CE2 3.83Å; M276-F302 HydrophobicContact SD-CZ 4.02Å; M276-A305 HydrophobicContact CE-CB 3.77Å |
| 277 | T | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.8 | -177 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | L194 L197 K199 R268 L282 T283 | L194-T277 HydrophobicContact CD1-CG2 4.11Å; L197-T277 HydrophobicContact CD1-CG2 4Å; K199-T277 HydrophobicContact CG-CG2 4.27Å; R268-T277 VanDerWaalsContact CB-O 3.23Å; R268-T277 WeakPolarHBondContact CB-O 3.4Å; R268-T277 WeakPolarHBondContact CG-O 3.08Å; R268-T277 PolarHBondContact NH1-O 3.25Å; R268-T277 PolarHBondContact O-N 3.28Å; T277-L282 CarbonylContact C-O 3.3Å; T277-L282 WeakPolarHBondContact CA-O 3.33Å; T277-T283 WeakPolarHBondContact CG2-OG1 3.31Å; T277-T283 PolarHBondContact OG1-OG1 3.13Å |
| 278 | F | 97.1 | Very high | 96.5 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | trans | -78 | 167.7 | 176.2 | -65.5 | -90.9 | 0 | 0 | 0 | 112.3 | L197 F220 L223 I265 D280 G281 L282 L284 M289 | L197-F278 WeakPolarHBondContact CD1-O 3.37Å; F220-F278 AromaticContact CD2-CE1 3.7Å; F220-F278 HydrophobicContact CD2-CE1 3.7Å; F220-F278 AromaticContact CD2-CZ 3.8Å; F220-F278 HydrophobicContact CD2-CZ 3.8Å; F220-F278 AromaticContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CE1 3.88Å; F220-F278 HydrophobicContact CE2-CZ 4.17Å; L223-F278 HydrophobicContact CB-CD1 4.48Å; L223-F278 HydrophobicContact CD1-CB 3.85Å; L223-F278 HydrophobicContact CD1-CD1 4.36Å; L223-F278 HydrophobicContact CD1-CG 4.04Å; I265-F278 HydrophobicContact CD1-CD1 4.05Å; I265-F278 HydrophobicContact CD1-CE1 3.98Å; I265-F278 HydrophobicContact CD1-CG 4.41Å; I265-F278 HydrophobicContact CD1-CZ 4.28Å; F278-D280 PolarHBondContact O-N 3.05Å; F278-G281 PolarHBondContact O-N 3.26Å; F278-L282 HydrophobicContact CB-CB 4.39Å; F278-L282 HydrophobicContact CD2-CB 4.43Å; F278-L282 HydrophobicContact CD2-CG 4.46Å; F278-L282 WeakPolarHBondContact CD2-O 3.46Å; F278-L282 PolarHBondContact N-O 3.21Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CB 4.46Å; F278-L284 HydrophobicContact CE2-CD1 3.76Å; F278-L284 HydrophobicContact CE2-CG 4.01Å; F278-M289 HydrophobicContact CE2-CE 4.42Å; F278-M289 HydrophobicContact CE2-SD 3.59Å; F278-M289 VanDerWaalsContact CE2-SD 3.59Å; F278-M289 HydrophobicContact CZ-CE 3.93Å; F278-M289 HydrophobicContact CZ-SD 3.62Å | ||
| 279 | S | 93.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.1 | -171.4 | -60.8 | 0 | 0 | 0 | 0 | 115.4 | L197 | L197-S279 VanDerWaalsContact CD2-O 3.3Å; L197-S279 WeakPolarHBondContact CD2-O 3.49Å |
| 280 | D | 94.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 34 Ų | 34 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -4 | 173.1 | 73.4 | -31.9 | 0 | 0 | 0 | 113.1 | Y200 L223 F278 L282 | Y200-D280 WeakPolarHBondContact CE1-O 3.44Å; Y200-D280 PolarHBondContact OH-OD2 3.01Å; L223-D280 HydrophobicContact CD2-CB 3.74Å; L223-D280 VanDerWaalsContact CD2-CG 3.49Å; F278-D280 PolarHBondContact O-N 3.05Å; D280-L282 VanDerWaalsContact OD1-CB 3.24Å; D280-L282 WeakPolarHBondContact OD1-CB 3.4Å; D280-L282 PolarHBondContact OD1-N 3.22Å |
| 281 | G | 94.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 99 | -6.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G198 K199 Y200 F278 T283 | G198-G281 WeakPolarHBondContact O-CA 3.5Å; K199-G281 WeakPolarHBondContact CA-O 3.22Å; Y200-G281 PolarHBondContact N-O 3.36Å; F278-G281 PolarHBondContact O-N 3.26Å; G281-T283 PolarHBondContact O-N 3.39Å; G281-T283 VanDerWaalsContact O-N 3.14Å; G281-T283 PolarHBondContact O-OG1 3.42Å |
| 282 | L | 96.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 119.8 | 176.7 | 179.7 | 61.8 | 0 | 0 | 0 | 109.6 | Y200 T202 K219 L223 T277 F278 D280 L284 | Y200-L282 HydrophobicContact CD2-CD1 4.32Å; Y200-L282 HydrophobicContact CE1-CB 4.13Å; Y200-L282 VanDerWaalsContact CE1-N 3.29Å; Y200-L282 HydrophobicContact CE2-CB 4.29Å; Y200-L282 HydrophobicContact CE2-CD1 3.67Å; T202-L282 HydrophobicContact CG2-CD1 4.12Å; K219-L282 HydrophobicContact CB-CD2 4.42Å; K219-L282 HydrophobicContact CD-CD2 4.48Å; L223-L282 HydrophobicContact CD1-CB 4.42Å; L223-L282 HydrophobicContact CD1-CD2 4Å; T277-L282 CarbonylContact C-O 3.3Å; T277-L282 WeakPolarHBondContact CA-O 3.33Å; F278-L282 HydrophobicContact CB-CB 4.39Å; F278-L282 HydrophobicContact CD2-CB 4.43Å; F278-L282 HydrophobicContact CD2-CG 4.46Å; F278-L282 WeakPolarHBondContact CD2-O 3.46Å; F278-L282 PolarHBondContact N-O 3.21Å; D280-L282 VanDerWaalsContact OD1-CB 3.24Å; D280-L282 WeakPolarHBondContact OD1-CB 3.4Å; D280-L282 PolarHBondContact OD1-N 3.22Å; L282-L284 HydrophobicContact CD1-CD2 3.84Å; L282-L284 HydrophobicContact CD2-CD1 4.4Å; L282-L284 HydrophobicContact CD2-CD2 4.19Å; L282-L284 HydrophobicContact CD2-CG 4.33Å; L282-L284 HydrophobicContact CG-CD2 3.88Å; L282-L284 HydrophobicContact CG-CG 4.09Å |
| 283 | T | 97.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.7 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | Y200 T275 M276 T277 G281 | Y200-T283 PolarHBondContact O-N 2.98Å; T275-T283 HydrophobicContact CG2-CG2 4.17Å; M276-T283 WeakPolarHBondContact O-CA 3.5Å; T277-T283 WeakPolarHBondContact CG2-OG1 3.31Å; T277-T283 PolarHBondContact OG1-OG1 3.13Å; G281-T283 PolarHBondContact O-N 3.39Å; G281-T283 VanDerWaalsContact O-N 3.14Å; G281-T283 PolarHBondContact O-OG1 3.42Å |
| 284 | L | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.6 | -176.9 | -61.5 | -169.6 | 0 | 0 | 0 | 110.3 | T202 L216 T275 M276 F278 L282 Q288 M289 A292 | T202-L284 HydrophobicContact CG2-CD2 3.82Å; L216-L284 HydrophobicContact CD2-CD2 4.35Å; T275-L284 CarbonylContact C-O 3.49Å; T275-L284 WeakPolarHBondContact CA-O 3.35Å; T275-L284 WeakPolarHBondContact CB-O 3.36Å; M276-L284 PolarHBondContact N-O 3.12Å; M276-L284 PolarHBondContact O-N 3.46Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CB 4.46Å; F278-L284 HydrophobicContact CE2-CD1 3.76Å; F278-L284 HydrophobicContact CE2-CG 4.01Å; L282-L284 HydrophobicContact CD1-CD2 3.84Å; L282-L284 HydrophobicContact CD2-CD1 4.4Å; L282-L284 HydrophobicContact CD2-CD2 4.19Å; L282-L284 HydrophobicContact CD2-CG 4.33Å; L282-L284 HydrophobicContact CG-CD2 3.88Å; L282-L284 HydrophobicContact CG-CG 4.09Å; L284-Q288 HydrophobicContact CB-CB 3.86Å; L284-Q288 HydrophobicContact CD1-CB 4.33Å; L284-Q288 HydrophobicContact CD2-CB 4.09Å; L284-Q288 HydrophobicContact CG-CB 4.31Å; L284-M289 HydrophobicContact CB-CG 3.96Å; L284-M289 HydrophobicContact CB-SD 3.87Å; L284-M289 HydrophobicContact CD1-SD 4.12Å; L284-A292 HydrophobicContact CD1-CB 4.26Å |
| 285 | N | 97.3 | Very high | 97 | Very high | 43 Ų | 43 | 17 Ų | 17 | 23% | 0.23 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 171.6 | 170.1 | 76.1 | 20.9 | 0 | 0 | 0 | 111 | S206 T275 T287 Q288 M289 | S206-N285 PolarHBondContact O-ND2 3.04Å; T275-N285 HydrophobicContact CG2-CB 3.92Å; N285-T287 VanDerWaalsContact C-N 3.29Å; N285-T287 PolarHBondContact O-N 3.18Å; N285-T287 WeakPolarHBondContact OD1-CA 3.33Å; N285-T287 WeakPolarHBondContact OD1-CB 3.21Å; N285-T287 PolarHBondContact OD1-N 3.25Å; N285-Q288 VanDerWaalsContact N-OE1 3.1Å; N285-Q288 PolarHBondContact O-N 3.08Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.44Å; N285-Q288 PolarHBondContact OD1-N 3.16Å; N285-M289 WeakPolarHBondContact O-CG 3.35Å; N285-M289 PolarHBondContact O-N 2.96Å |
| 286 | R | 97.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 21.1 Ų | 21.1 | 21% | 0.208 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -52.5 | -41.9 | 177.9 | -173.6 | -175.2 | -65 | -98.4 | -6.4 | 114.1 | D274 M289 H290 T298 D299 F302 | D274-R286 PolarHBondContact O-N 2.99Å; D274-R286 IonicContact OD1-CZ 3.44Å; D274-R286 IonicContact OD1-NE 2.8Å; D274-R286 IonicContact OD1-NH2 2.9Å; D274-R286 PolarHBondContact OD1-NH2 3.17Å; D274-R286 WeakPolarHBondContact OD2-CB 3.49Å; D274-R286 IonicContact OD2-CZ 3.72Å; D274-R286 IonicContact OD2-NE 3.22Å; D274-R286 PolarHBondContact OD2-NE 3.48Å; D274-R286 IonicContact OD2-NH2 3.76Å; D274-R286 PolarHBondContact OD2-NH2 3.26Å; R286-M289 PolarHBondContact O-N 2.55Å; R286-H290 PolarHBondContact O-N 3.41Å; R286-H290 VanDerWaalsContact O-N 3.1Å; R286-T298 HydrophobicContact CG-CG2 3.64Å; R286-T298 WeakPolarHBondContact O-CG2 3.37Å; R286-D299 IonicContact NH1-OD1 2.76Å; R286-D299 PolarHBondContact NH1-OD1 2.92Å; R286-F302 HydrophobicContact CB-CD1 4.48Å; R286-F302 HydrophobicContact CB-CE1 3.97Å; R286-F302 HydrophobicContact CB-CE2 4.4Å; R286-F302 HydrophobicContact CB-CZ 3.93Å; R286-F302 HydrophobicContact CG-CD1 4.49Å; R286-F302 HydrophobicContact CG-CD2 4.39Å; R286-F302 HydrophobicContact CG-CE1 4.38Å; R286-F302 HydrophobicContact CG-CE2 4.29Å; R286-F302 HydrophobicContact CG-CG 4.48Å; R286-F302 HydrophobicContact CG-CZ 4.29Å; R286-F302 VanDerWaalsContact CZ-CB 3.47Å; R286-F302 VanDerWaalsContact NH2-CD1 3.28Å |
| 287 | T | 97.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 22 Ų | 22 | 18% | 0.178 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 179.4 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | S206 R208 R209 N285 H290 N291 | S206-T287 WeakPolarHBondContact O-CB 3.25Å; R208-T287 WeakPolarHBondContact O-CG2 3.17Å; R209-T287 HydrophobicContact CG-CG2 4.1Å; N285-T287 VanDerWaalsContact C-N 3.29Å; N285-T287 PolarHBondContact O-N 3.18Å; N285-T287 WeakPolarHBondContact OD1-CA 3.33Å; N285-T287 WeakPolarHBondContact OD1-CB 3.21Å; N285-T287 PolarHBondContact OD1-N 3.25Å; T287-H290 WeakPolarHBondContact O-CB 3.22Å; T287-H290 PolarHBondContact O-N 3.4Å; T287-N291 PolarHBondContact O-N 3.46Å; T287-N291 PolarHBondContact O-ND2 3.49Å; T287-N291 PolarHBondContact O-OD1 2.92Å |
| 288 | Q | 98 | Very high | 96.9 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 177.5 | -67.7 | 174.8 | -52.5 | 0 | 0 | 111.7 | T202 N204 L216 L284 N285 H290 N291 A292 | T202-Q288 PolarHBondContact O-NE2 3.18Å; N204-Q288 PolarHBondContact O-NE2 3.04Å; L216-Q288 HydrophobicContact CD1-CB 4.21Å; L216-Q288 HydrophobicContact CD1-CG 4.42Å; L284-Q288 HydrophobicContact CB-CB 3.86Å; L284-Q288 HydrophobicContact CD1-CB 4.33Å; L284-Q288 HydrophobicContact CD2-CB 4.09Å; L284-Q288 HydrophobicContact CG-CB 4.31Å; N285-Q288 VanDerWaalsContact N-OE1 3.1Å; N285-Q288 PolarHBondContact O-N 3.08Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.44Å; N285-Q288 PolarHBondContact OD1-N 3.16Å; Q288-H290 VanDerWaalsContact C-N 3.31Å; Q288-H290 PolarHBondContact O-N 3.25Å; Q288-N291 PolarHBondContact O-N 2.97Å; Q288-A292 VanDerWaalsContact O-CB 3.25Å; Q288-A292 WeakPolarHBondContact O-CB 3.4Å; Q288-A292 PolarHBondContact O-N 2.99Å |
| 289 | M | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 173.5 | -72 | -66.2 | -69.5 | 0 | 0 | 111.7 | I265 M276 F278 L284 N285 R286 F294 T298 F302 | I265-M289 HydrophobicContact CG1-CE 4.28Å; M276-M289 HydrophobicContact CB-CE 4.3Å; M276-M289 HydrophobicContact CB-SD 4.33Å; M276-M289 HydrophobicContact SD-CE 3.9Å; F278-M289 HydrophobicContact CE2-CE 4.42Å; F278-M289 HydrophobicContact CE2-SD 3.59Å; F278-M289 VanDerWaalsContact CE2-SD 3.59Å; F278-M289 HydrophobicContact CZ-CE 3.93Å; F278-M289 HydrophobicContact CZ-SD 3.62Å; L284-M289 HydrophobicContact CB-CG 3.96Å; L284-M289 HydrophobicContact CB-SD 3.87Å; L284-M289 HydrophobicContact CD1-SD 4.12Å; N285-M289 WeakPolarHBondContact O-CG 3.35Å; N285-M289 PolarHBondContact O-N 2.96Å; R286-M289 PolarHBondContact O-N 2.55Å; M289-F294 HydrophobicContact CE-CD2 3.94Å; M289-F294 HydrophobicContact CE-CE1 4.05Å; M289-F294 HydrophobicContact CE-CE2 3.38Å; M289-F294 HydrophobicContact CE-CG 4.49Å; M289-F294 HydrophobicContact CE-CZ 3.45Å; M289-F294 VanDerWaalsContact CE-CZ 3.45Å; M289-F294 WeakPolarHBondContact O-CB 3.17Å; M289-F294 WeakPolarHBondContact O-CD2 3.34Å; M289-F294 PolarHBondContact O-N 2.92Å; M289-F294 HydrophobicContact SD-CE2 4.46Å; M289-T298 HydrophobicContact CB-CG2 4.28Å; M289-F302 HydrophobicContact CB-CE2 3.85Å; M289-F302 HydrophobicContact CB-CZ 4.25Å; M289-F302 HydrophobicContact CG-CE2 3.83Å; M289-F302 HydrophobicContact CG-CZ 3.87Å |
| 290 | H | 98.2 | Very high | 97.1 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 13% | 0.13 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -58.3 | -51.8 | 172.7 | 175.3 | -76.6 | 0 | 0 | 0 | 111.6 | R209 V210 R286 T287 Q288 A292 G293 G295 T298 | R209-H290 HydrophobicContact CG-CB 4.17Å; V210-H290 PolarHBondContact O-CE1 3.45Å; V210-H290 PolarHBondContact O-ND1 3.03Å; R286-H290 PolarHBondContact O-N 3.41Å; R286-H290 VanDerWaalsContact O-N 3.1Å; T287-H290 WeakPolarHBondContact O-CB 3.22Å; T287-H290 PolarHBondContact O-N 3.4Å; Q288-H290 VanDerWaalsContact C-N 3.31Å; Q288-H290 PolarHBondContact O-N 3.25Å; H290-A292 VanDerWaalsContact C-N 3.29Å; H290-A292 PolarHBondContact O-N 3.1Å; H290-G293 PolarHBondContact O-N 3.46Å; H290-G295 VanDerWaalsContact CD2-C 3.46Å; H290-G295 PolarHBondContact CD2-O 3.35Å; H290-G295 PolarHBondContact O-N 3.43Å; H290-G295 VanDerWaalsContact O-N 3.12Å; H290-T298 WeakPolarHBondContact CA-OG1 3.47Å; H290-T298 HydrophobicContact CB-CG2 4.25Å; H290-T298 WeakPolarHBondContact CB-OG1 3.36Å; H290-T298 PolarHBondContact N-OG1 3.27Å |
| 291 | N | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -68.6 | -26.3 | -175.6 | -62.5 | -12.3 | 0 | 0 | 0 | 112.9 | S205 R208 R209 V210 D213 L216 T287 Q288 G293 | S205-N291 PolarHBondContact O-ND2 3.47Å; R208-N291 PolarHBondContact O-ND2 2.97Å; R209-N291 VanDerWaalsContact CA-OD1 3.3Å; R209-N291 WeakPolarHBondContact CA-OD1 3.43Å; V210-N291 HydrophobicContact CG2-CB 4.01Å; V210-N291 PolarHBondContact N-OD1 3.24Å; V210-N291 PolarHBondContact O-OD1 3.32Å; D213-N291 HydrophobicContact CB-CB 4.08Å; D213-N291 PolarHBondContact N-O 3.08Å; L216-N291 HydrophobicContact CD1-CB 4.18Å; T287-N291 PolarHBondContact O-N 3.46Å; T287-N291 PolarHBondContact O-ND2 3.49Å; T287-N291 PolarHBondContact O-OD1 2.92Å; Q288-N291 PolarHBondContact O-N 2.97Å; N291-G293 PolarHBondContact O-N 3.45Å |
| 292 | A | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -73.5 | -2.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L216 F220 L284 Q288 H290 | L216-A292 HydrophobicContact CB-CB 3.98Å; F220-A292 HydrophobicContact CB-CB 4.18Å; F220-A292 WeakPolarHBondContact CD1-O 3.38Å; F220-A292 HydrophobicContact CG-CB 4.48Å; L284-A292 HydrophobicContact CD1-CB 4.26Å; Q288-A292 VanDerWaalsContact O-CB 3.25Å; Q288-A292 WeakPolarHBondContact O-CB 3.4Å; Q288-A292 PolarHBondContact O-N 2.99Å; H290-A292 VanDerWaalsContact C-N 3.29Å; H290-A292 PolarHBondContact O-N 3.1Å |
| 293 | G | 96 | Very high | 97.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | 123 | -9.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H290 N291 G295 R386 L390 | H290-G293 PolarHBondContact O-N 3.46Å; N291-G293 PolarHBondContact O-N 3.45Å; G293-G295 VanDerWaalsContact C-N 3.28Å; G293-G295 PolarHBondContact O-N 3.25Å; G293-R386 PolarHBondContact O-NE 2.6Å; G293-R386 PolarHBondContact O-NH2 2.94Å; G293-L390 WeakPolarHBondContact O-CD1 3.46Å |
| 294 | F | 97.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 10% | 0.096 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -63.5 | -35.9 | 175.2 | -78.4 | -110.9 | 0 | 0 | 0 | 111.8 | F220 M289 L297 T298 V301 | F220-F294 HydrophobicContact CD2-CE2 4.12Å; F220-F294 HydrophobicContact CE2-CD2 4.29Å; F220-F294 AromaticContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CE2 3.39Å; F220-F294 HydrophobicContact CE2-CZ 4.06Å; F220-F294 HydrophobicContact CZ-CD2 4.4Å; F220-F294 AromaticContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CE2 3.75Å; F220-F294 HydrophobicContact CZ-CZ 4.36Å; M289-F294 HydrophobicContact CE-CD2 3.94Å; M289-F294 HydrophobicContact CE-CE1 4.05Å; M289-F294 HydrophobicContact CE-CE2 3.38Å; M289-F294 HydrophobicContact CE-CG 4.49Å; M289-F294 HydrophobicContact CE-CZ 3.45Å; M289-F294 VanDerWaalsContact CE-CZ 3.45Å; M289-F294 WeakPolarHBondContact O-CB 3.17Å; M289-F294 WeakPolarHBondContact O-CD2 3.34Å; M289-F294 PolarHBondContact O-N 2.92Å; M289-F294 HydrophobicContact SD-CE2 4.46Å; F294-L297 HydrophobicContact CB-CB 4.47Å; F294-L297 HydrophobicContact CD1-CB 4.44Å; F294-L297 WeakPolarHBondContact O-CB 3.38Å; F294-L297 PolarHBondContact O-N 2.93Å; F294-T298 WeakPolarHBondContact CB-OG1 3.23Å; F294-V301 HydrophobicContact CD1-CG2 4.11Å; F294-V301 HydrophobicContact CE1-CB 4.49Å; F294-V301 HydrophobicContact CE1-CG1 4.16Å; F294-V301 HydrophobicContact CE1-CG2 4.11Å |
| 295 | G | 96.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -127.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H290 G293 L297 T298 | H290-G295 VanDerWaalsContact CD2-C 3.46Å; H290-G295 PolarHBondContact CD2-O 3.35Å; H290-G295 PolarHBondContact O-N 3.43Å; H290-G295 VanDerWaalsContact O-N 3.12Å; G293-G295 VanDerWaalsContact C-N 3.28Å; G293-G295 PolarHBondContact O-N 3.25Å; G295-L297 PolarHBondContact O-N 3.29Å; G295-L297 VanDerWaalsContact O-N 3.08Å; G295-T298 WeakPolarHBondContact O-CB 3.37Å; G295-T298 PolarHBondContact O-N 3.04Å; G295-T298 VanDerWaalsContact O-N 3.12Å; G295-T298 PolarHBondContact O-OG1 3.17Å |
| 296 | P | 95.8 | Very high | 97.8 | Very high | 103 Ų | 103 | 24.5 Ų | 24.5 | 67% | 0.669 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.7 | 178.6 | -25.6 | 35.3 | 0 | 0 | 0 | 115.5 | T298 | P296-T298 VanDerWaalsContact C-N 3.26Å; P296-T298 PolarHBondContact O-N 2.82Å |
| 297 | L | 97.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 26 Ų | 26 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.4 | -23.4 | 178.6 | -69.1 | 172.3 | 0 | 0 | 0 | 113.3 | F294 G295 D299 L300 V301 K382 R386 | F294-L297 HydrophobicContact CB-CB 4.47Å; F294-L297 HydrophobicContact CD1-CB 4.44Å; F294-L297 WeakPolarHBondContact O-CB 3.38Å; F294-L297 PolarHBondContact O-N 2.93Å; G295-L297 PolarHBondContact O-N 3.29Å; G295-L297 VanDerWaalsContact O-N 3.08Å; L297-D299 VanDerWaalsContact C-N 3.27Å; L297-D299 PolarHBondContact O-N 2.93Å; L297-L300 HydrophobicContact CD2-CD1 4.49Å; L297-L300 PolarHBondContact O-N 3.27Å; L297-L300 VanDerWaalsContact O-N 3.08Å; L297-V301 HydrophobicContact CB-CG2 4.43Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.28Å; L297-K382 HydrophobicContact CD2-CB 3.57Å; L297-R386 HydrophobicContact CD1-CB 3.46Å; L297-R386 VanDerWaalsContact CD1-CB 3.46Å; L297-R386 HydrophobicContact CD1-CG 3.78Å; L297-R386 HydrophobicContact CG-CB 4.18Å; L297-R386 HydrophobicContact CG-CG 4.44Å |
| 298 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -51.6 | -48.1 | -174.2 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | R286 M289 H290 F294 G295 P296 L300 V301 F302 | R286-T298 HydrophobicContact CG-CG2 3.64Å; R286-T298 WeakPolarHBondContact O-CG2 3.37Å; M289-T298 HydrophobicContact CB-CG2 4.28Å; H290-T298 WeakPolarHBondContact CA-OG1 3.47Å; H290-T298 HydrophobicContact CB-CG2 4.25Å; H290-T298 WeakPolarHBondContact CB-OG1 3.36Å; H290-T298 PolarHBondContact N-OG1 3.27Å; F294-T298 WeakPolarHBondContact CB-OG1 3.23Å; G295-T298 WeakPolarHBondContact O-CB 3.37Å; G295-T298 PolarHBondContact O-N 3.04Å; G295-T298 VanDerWaalsContact O-N 3.12Å; G295-T298 PolarHBondContact O-OG1 3.17Å; P296-T298 VanDerWaalsContact C-N 3.26Å; P296-T298 PolarHBondContact O-N 2.82Å; T298-L300 VanDerWaalsContact C-N 3.33Å; T298-L300 PolarHBondContact O-N 2.96Å; T298-V301 PolarHBondContact O-N 3.29Å; T298-F302 HydrophobicContact CG2-CD2 3.81Å; T298-F302 HydrophobicContact CG2-CE2 3.84Å; T298-F302 WeakPolarHBondContact O-CB 3.47Å; T298-F302 WeakPolarHBondContact O-CD2 3.37Å; T298-F302 PolarHBondContact O-N 2.94Å |
| 299 | D | 97.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 28.4 Ų | 28.4 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -69.3 | -33.2 | -175 | -64.2 | -42.1 | 0 | 0 | 0 | 112.1 | R209 R286 L297 A303 | R209-D299 IonicContact CZ-OD1 3.34Å; R209-D299 IonicContact CZ-OD2 4Å; R209-D299 IonicContact NH1-OD1 3.47Å; R209-D299 IonicContact NH1-OD2 3.51Å; R209-D299 PolarHBondContact NH1-OD2 3.3Å; R209-D299 IonicContact NH2-OD1 3.6Å; R209-D299 PolarHBondContact NH2-OD1 3.06Å; R209-D299 IonicContact NH2-OD2 2.69Å; R209-D299 PolarHBondContact NH2-OD2 2.87Å; R286-D299 IonicContact NH1-OD1 2.76Å; R286-D299 PolarHBondContact NH1-OD1 2.92Å; L297-D299 VanDerWaalsContact C-N 3.27Å; L297-D299 PolarHBondContact O-N 2.93Å; D299-A303 WeakPolarHBondContact O-CB 3.37Å; D299-A303 PolarHBondContact O-N 3.43Å |
| 300 | L | 98.4 | Very high | 97.5 | Very high | 65 Ų | 65 | 32 Ų | 32 | 34% | 0.34 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.9 | -45.6 | 174.1 | -67.4 | 173.8 | 0 | 0 | 0 | 112.2 | L297 T298 A303 F304 I379 K382 | L297-L300 HydrophobicContact CD2-CD1 4.49Å; L297-L300 PolarHBondContact O-N 3.27Å; L297-L300 VanDerWaalsContact O-N 3.08Å; T298-L300 VanDerWaalsContact C-N 3.33Å; T298-L300 PolarHBondContact O-N 2.96Å; L300-A303 PolarHBondContact O-N 3.15Å; L300-F304 WeakPolarHBondContact O-CB 3.42Å; L300-F304 PolarHBondContact O-N 2.82Å; L300-I379 HydrophobicContact CB-CG1 4.5Å; L300-K382 HydrophobicContact CD1-CD 3.55Å |
| 301 | V | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | -179.3 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | I265 C266 M276 F294 L297 T298 F304 A305 I379 | I265-V301 HydrophobicContact CG2-CG1 4.32Å; C266-V301 PolarHBondContact SG-O 3.5Å; M276-V301 HydrophobicContact CE-CG1 4.09Å; M276-V301 HydrophobicContact SD-CG1 4.28Å; F294-V301 HydrophobicContact CD1-CG2 4.11Å; F294-V301 HydrophobicContact CE1-CB 4.49Å; F294-V301 HydrophobicContact CE1-CG1 4.16Å; F294-V301 HydrophobicContact CE1-CG2 4.11Å; L297-V301 HydrophobicContact CB-CG2 4.43Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.28Å; T298-V301 PolarHBondContact O-N 3.29Å; V301-F304 PolarHBondContact O-N 2.89Å; V301-A305 PolarHBondContact O-N 3.11Å; V301-I379 HydrophobicContact CG2-CG2 3.92Å |
| 302 | F | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -35.6 | 175.5 | -84.6 | -105.4 | 0 | 0 | 0 | 112.8 | Y269 D274 M276 R286 M289 T298 F304 A305 N306 | Y269-F302 HydrophobicContact CD2-CD1 4.03Å; Y269-F302 HydrophobicContact CD2-CE1 4.01Å; Y269-F302 AromaticContact CE2-CD1 3.48Å; Y269-F302 HydrophobicContact CE2-CD1 3.48Å; Y269-F302 VanDerWaalsContact CE2-CD1 3.48Å; Y269-F302 AromaticContact CE2-CE1 3.62Å; Y269-F302 HydrophobicContact CE2-CE1 3.62Å; D274-F302 WeakPolarHBondContact O-CE1 3.44Å; D274-F302 WeakPolarHBondContact OD1-CD1 3.46Å; M276-F302 HydrophobicContact CE-CB 4.39Å; M276-F302 HydrophobicContact CE-CD1 3.89Å; M276-F302 HydrophobicContact CE-CD2 3.64Å; M276-F302 HydrophobicContact CE-CE1 4.04Å; M276-F302 HydrophobicContact CE-CE2 3.8Å; M276-F302 HydrophobicContact CE-CG 3.7Å; M276-F302 HydrophobicContact CE-CZ 4.01Å; M276-F302 HydrophobicContact CG-CE1 4.31Å; M276-F302 HydrophobicContact CG-CE2 4.41Å; M276-F302 HydrophobicContact CG-CZ 3.99Å; M276-F302 HydrophobicContact SD-CD2 4.22Å; M276-F302 HydrophobicContact SD-CE2 3.83Å; M276-F302 HydrophobicContact SD-CZ 4.02Å; R286-F302 HydrophobicContact CB-CD1 4.48Å; R286-F302 HydrophobicContact CB-CE1 3.97Å; R286-F302 HydrophobicContact CB-CE2 4.4Å; R286-F302 HydrophobicContact CB-CZ 3.93Å; R286-F302 HydrophobicContact CG-CD1 4.49Å; R286-F302 HydrophobicContact CG-CD2 4.39Å; R286-F302 HydrophobicContact CG-CE1 4.38Å; R286-F302 HydrophobicContact CG-CE2 4.29Å; R286-F302 HydrophobicContact CG-CG 4.48Å; R286-F302 HydrophobicContact CG-CZ 4.29Å; R286-F302 VanDerWaalsContact CZ-CB 3.47Å; R286-F302 VanDerWaalsContact NH2-CD1 3.28Å; M289-F302 HydrophobicContact CB-CE2 3.85Å; M289-F302 HydrophobicContact CB-CZ 4.25Å; M289-F302 HydrophobicContact CG-CE2 3.83Å; M289-F302 HydrophobicContact CG-CZ 3.87Å; T298-F302 HydrophobicContact CG2-CD2 3.81Å; T298-F302 HydrophobicContact CG2-CE2 3.84Å; T298-F302 WeakPolarHBondContact O-CB 3.47Å; T298-F302 WeakPolarHBondContact O-CD2 3.37Å; T298-F302 PolarHBondContact O-N 2.94Å; F302-F304 VanDerWaalsContact C-N 3.32Å; F302-A305 PolarHBondContact O-N 3.39Å; F302-N306 PolarHBondContact O-N 3.29Å; F302-N306 PolarHBondContact O-ND2 3.28Å |
| 303 | A | 98.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | D299 L300 N306 Q307 | D299-A303 WeakPolarHBondContact O-CB 3.37Å; D299-A303 PolarHBondContact O-N 3.43Å; L300-A303 PolarHBondContact O-N 3.15Å; A303-N306 PolarHBondContact O-N 3.39Å; A303-Q307 WeakPolarHBondContact O-CG 3.42Å; A303-Q307 PolarHBondContact O-N 2.84Å; A303-Q307 VanDerWaalsContact O-N 3.08Å |
| 304 | F | 98.7 | Very high | 97 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 174.9 | -175.1 | -109.2 | 0 | 0 | 0 | 111.9 | L263 C266 L300 V301 F302 N306 Q307 L308 K372 D375 L376 I379 | L263-F304 HydrophobicContact CD1-CE1 4.42Å; C266-F304 HydrophobicContact CB-CD1 4.17Å; L300-F304 WeakPolarHBondContact O-CB 3.42Å; L300-F304 PolarHBondContact O-N 2.82Å; V301-F304 PolarHBondContact O-N 2.89Å; F302-F304 VanDerWaalsContact C-N 3.32Å; F304-N306 VanDerWaalsContact C-N 3.28Å; F304-N306 PolarHBondContact O-N 3.48Å; F304-Q307 WeakPolarHBondContact O-CA 3.29Å; F304-Q307 WeakPolarHBondContact O-CB 3.17Å; F304-Q307 PolarHBondContact O-N 2.91Å; F304-L308 HydrophobicContact CD1-CD1 4.24Å; F304-L308 HydrophobicContact CD1-CG 4.42Å; F304-L308 HydrophobicContact CE1-CD1 3.85Å; F304-L308 HydrophobicContact CE1-CD2 4.17Å; F304-L308 HydrophobicContact CE1-CG 4.16Å; F304-L308 HydrophobicContact CE2-CD2 4.37Å; F304-L308 HydrophobicContact CZ-CD1 4.44Å; F304-L308 HydrophobicContact CZ-CD2 3.94Å; F304-L308 HydrophobicContact CZ-CG 4.41Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.36Å; F304-L308 VanDerWaalsContact O-N 3.08Å; F304-K372 HydrophobicContact CE2-CB 4.05Å; F304-K372 HydrophobicContact CE2-CD 4.11Å; F304-K372 HydrophobicContact CZ-CB 4.14Å; F304-D375 HydrophobicContact CD2-CB 4.06Å; F304-D375 HydrophobicContact CE2-CB 3.93Å; F304-L376 HydrophobicContact CE1-CD1 3.87Å; F304-L376 HydrophobicContact CE2-CB 4.42Å; F304-L376 HydrophobicContact CZ-CB 4Å; F304-L376 HydrophobicContact CZ-CD1 4.11Å; F304-I379 HydrophobicContact CB-CD1 3.48Å; F304-I379 VanDerWaalsContact CB-CD1 3.48Å; F304-I379 HydrophobicContact CD1-CD1 4.3Å; F304-I379 HydrophobicContact CD2-CD1 3.82Å; F304-I379 HydrophobicContact CG-CD1 3.62Å |
| 305 | A | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.1 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C266 Y269 M276 V301 F302 Q307 L308 L309 | C266-A305 HydrophobicContact CB-CB 3.89Å; Y269-A305 HydrophobicContact CD1-CB 3.89Å; Y269-A305 HydrophobicContact CG-CB 3.83Å; M276-A305 HydrophobicContact CE-CB 3.77Å; V301-A305 PolarHBondContact O-N 3.11Å; F302-A305 PolarHBondContact O-N 3.39Å; A305-Q307 VanDerWaalsContact C-N 3.3Å; A305-Q307 PolarHBondContact O-N 3.28Å; A305-L308 WeakPolarHBondContact O-CB 3.42Å; A305-L308 PolarHBondContact O-N 2.87Å; A305-L308 VanDerWaalsContact O-N 3.08Å; A305-L309 PolarHBondContact O-N 3.42Å |
| 306 | N | 98.1 | Very high | 97 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.1 | -34.6 | 174.4 | -83.9 | -77 | 0 | 0 | 0 | 113.1 | Y269 F302 A303 F304 L308 L309 P310 | Y269-N306 PolarHBondContact OH-ND2 2.94Å; F302-N306 PolarHBondContact O-N 3.29Å; F302-N306 PolarHBondContact O-ND2 3.28Å; A303-N306 PolarHBondContact O-N 3.39Å; F304-N306 VanDerWaalsContact C-N 3.28Å; F304-N306 PolarHBondContact O-N 3.48Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.96Å; N306-L309 PolarHBondContact O-N 3.15Å; N306-P310 WeakPolarHBondContact O-CD 3.44Å |
| 307 | Q | 98.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 36.3 Ų | 36.3 | 41% | 0.407 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -71.1 | -22.5 | 174.7 | -67.1 | 177.6 | 26.3 | 0 | 0 | 113.5 | A303 F304 A305 P310 | A303-Q307 WeakPolarHBondContact O-CG 3.42Å; A303-Q307 PolarHBondContact O-N 2.84Å; A303-Q307 VanDerWaalsContact O-N 3.08Å; F304-Q307 WeakPolarHBondContact O-CA 3.29Å; F304-Q307 WeakPolarHBondContact O-CB 3.17Å; F304-Q307 PolarHBondContact O-N 2.91Å; A305-Q307 VanDerWaalsContact C-N 3.3Å; A305-Q307 PolarHBondContact O-N 3.28Å; Q307-P310 WeakPolarHBondContact O-CD 3.46Å |
| 308 | L | 97.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -78 | -27 | 174.9 | -60.9 | -175.2 | 0 | 0 | 0 | 112.4 | L263 C266 F304 A305 N306 L311 M313 K372 | L263-L308 HydrophobicContact CD1-CD1 3.98Å; C266-L308 HydrophobicContact CB-CD1 3.8Å; F304-L308 HydrophobicContact CD1-CD1 4.24Å; F304-L308 HydrophobicContact CD1-CG 4.42Å; F304-L308 HydrophobicContact CE1-CD1 3.85Å; F304-L308 HydrophobicContact CE1-CD2 4.17Å; F304-L308 HydrophobicContact CE1-CG 4.16Å; F304-L308 HydrophobicContact CE2-CD2 4.37Å; F304-L308 HydrophobicContact CZ-CD1 4.44Å; F304-L308 HydrophobicContact CZ-CD2 3.94Å; F304-L308 HydrophobicContact CZ-CG 4.41Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 3.36Å; F304-L308 VanDerWaalsContact O-N 3.08Å; A305-L308 WeakPolarHBondContact O-CB 3.42Å; A305-L308 PolarHBondContact O-N 2.87Å; A305-L308 VanDerWaalsContact O-N 3.08Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.96Å; L308-L311 HydrophobicContact CD2-CD1 3.94Å; L308-L311 WeakPolarHBondContact O-CA 3.24Å; L308-L311 VanDerWaalsContact O-CB 3.23Å; L308-L311 WeakPolarHBondContact O-CB 3.42Å; L308-L311 PolarHBondContact O-N 2.95Å; L308-M313 HydrophobicContact CD2-SD 4.16Å; L308-K372 HydrophobicContact CD2-CB 4.38Å; L308-K372 HydrophobicContact CD2-CD 4.17Å; L308-K372 HydrophobicContact CD2-CG 3.93Å |
| 309 | L | 94.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 40% | 0.398 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -54 | -48.3 | -177.5 | -58.5 | 172.2 | 0 | 0 | 0 | 113.3 | Y269 P271 A305 N306 L311 E312 | Y269-L309 HydrophobicContact CD1-CD1 4.41Å; Y269-L309 HydrophobicContact CD1-CD2 4.34Å; Y269-L309 HydrophobicContact CE1-CD1 4.22Å; P271-L309 HydrophobicContact CB-CD1 4.19Å; P271-L309 HydrophobicContact CG-CD1 3.57Å; P271-L309 HydrophobicContact CG-CD2 3.73Å; P271-L309 HydrophobicContact CG-CG 4.31Å; A305-L309 PolarHBondContact O-N 3.42Å; N306-L309 PolarHBondContact O-N 3.15Å; L309-L311 PolarHBondContact O-N 3.46Å; L309-L311 VanDerWaalsContact O-N 3.09Å; L309-E312 PolarHBondContact O-N 3.11Å; L309-E312 VanDerWaalsContact O-N 3.1Å |
| 310 | P | 95.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 32.3 Ų | 32.3 | 49% | 0.494 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -70 | -7.5 | 179.4 | -17.5 | 33.4 | 0 | 0 | 0 | 113.8 | N306 Q307 | N306-P310 WeakPolarHBondContact O-CD 3.44Å; Q307-P310 WeakPolarHBondContact O-CD 3.46Å |
| 311 | L | 94.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -81.1 | -23.6 | 174.6 | -55.7 | -177.3 | 0 | 0 | 0 | 112 | L308 L309 M313 R359 M365 K368 M369 K372 | L308-L311 HydrophobicContact CD2-CD1 3.94Å; L308-L311 WeakPolarHBondContact O-CA 3.24Å; L308-L311 VanDerWaalsContact O-CB 3.23Å; L308-L311 WeakPolarHBondContact O-CB 3.42Å; L308-L311 PolarHBondContact O-N 2.95Å; L309-L311 PolarHBondContact O-N 3.46Å; L309-L311 VanDerWaalsContact O-N 3.09Å; L311-M313 HydrophobicContact CB-CG 3.76Å; L311-M313 HydrophobicContact CB-SD 4.47Å; L311-M313 HydrophobicContact CD1-SD 4.21Å; L311-M313 PolarHBondContact O-N 3.44Å; L311-R359 PolarHBondContact O-NH2 3.28Å; L311-M365 HydrophobicContact CB-CE 4.33Å; L311-M365 HydrophobicContact CD2-CE 3.77Å; L311-K368 HydrophobicContact CD2-CB 4.45Å; L311-K368 HydrophobicContact CD2-CD 3.64Å; L311-K368 HydrophobicContact CD2-CG 3.84Å; L311-M369 HydrophobicContact CB-CE 4.28Å; L311-M369 HydrophobicContact CB-CG 4.49Å; L311-M369 HydrophobicContact CD1-CG 4Å; L311-M369 HydrophobicContact CD2-CG 4.4Å; L311-K372 HydrophobicContact CD1-CD 4.25Å; L311-K372 HydrophobicContact CD1-CG 3.64Å |
| 312 | E | 92.9 | Very high | 97.3 | Very high | 124 Ų | 124 | 29.2 Ų | 29.2 | 58% | 0.579 | 16% | 0.158 | S | C | * | . | trans | 50.1 | 49.7 | -179.2 | -59.5 | 169.9 | 159.9 | 0 | 0 | 110.4 | L309 R358 R359 | L309-E312 PolarHBondContact O-N 3.11Å; L309-E312 VanDerWaalsContact O-N 3.1Å; E312-R358 PolarHBondContact O-NH2 3.29Å; E312-R359 PolarHBondContact O-NH2 3.09Å | ||
| 313 | M | 96.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 29.1 Ų | 29.1 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | trans | -67.4 | 138.1 | -176.9 | -62 | -173.3 | 60.2 | 0 | 0 | 110.6 | L308 L311 E317 L321 M369 | L308-M313 HydrophobicContact CD2-SD 4.16Å; L311-M313 HydrophobicContact CB-CG 3.76Å; L311-M313 HydrophobicContact CB-SD 4.47Å; L311-M313 HydrophobicContact CD1-SD 4.21Å; L311-M313 PolarHBondContact O-N 3.44Å; M313-E317 VanDerWaalsContact CA-OE2 3.31Å; M313-E317 WeakPolarHBondContact CA-OE2 3.3Å; M313-E317 HydrophobicContact CE-CB 4.14Å; M313-L321 HydrophobicContact CE-CB 4.38Å; M313-L321 HydrophobicContact CE-CD2 3.85Å; M313-M369 HydrophobicContact CB-CE 4.48Å; M313-M369 HydrophobicContact CG-CE 3.62Å | ||
| 314 | D | 95 | Very high | 97.3 | Very high | 44 Ų | 44 | 27.3 Ų | 27.3 | 24% | 0.235 | 14% | 0.142 | C | C | . | . | trans | -103.2 | 178.2 | 169.2 | 68.6 | -8.7 | 0 | 0 | 0 | 111.3 | A316 E317 T318 Y354 R358 | D314-A316 VanDerWaalsContact C-N 3.25Å; D314-A316 PolarHBondContact O-N 2.82Å; D314-E317 PolarHBondContact N-OE2 3.49Å; D314-E317 PolarHBondContact O-N 3.07Å; D314-E317 WeakPolarHBondContact OD1-CB 3.34Å; D314-E317 VanDerWaalsContact OD1-CG 3.29Å; D314-E317 WeakPolarHBondContact OD1-CG 3.49Å; D314-E317 PolarHBondContact OD1-N 3.17Å; D314-T318 WeakPolarHBondContact O-CB 3.18Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 3.21Å; D314-Y354 PolarHBondContact OD2-OH 3Å; D314-R358 IonicContact OD1-CZ 3.83Å; D314-R358 IonicContact OD1-NH1 3.35Å; D314-R358 PolarHBondContact OD1-NH1 2.84Å; D314-R358 IonicContact OD1-NH2 3.79Å; D314-R358 PolarHBondContact OD1-NH2 3.28Å; D314-R358 IonicContact OD2-CZ 3.25Å; D314-R358 VanDerWaalsContact OD2-CZ 3.23Å; D314-R358 IonicContact OD2-NE 3.31Å; D314-R358 IonicContact OD2-NH1 2.62Å; D314-R358 PolarHBondContact OD2-NH1 2.79Å; D314-R358 IonicContact OD2-NH2 3.29Å | ||
| 315 | D | 95.4 | Very high | 97.3 | Very high | 36 Ų | 36 | 27.2 Ų | 27.2 | 19% | 0.193 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -34 | -177.3 | -65.6 | -22.7 | 0 | 0 | 0 | 112.4 | R184 Q188 S193 G319 | R184-D315 HydrophobicContact CG-CB 4.26Å; Q188-D315 HydrophobicContact CG-CB 4.01Å; Q188-D315 PolarHBondContact NE2-OD2 2.76Å; S193-D315 PolarHBondContact OG-OD1 2.93Å; S193-D315 VanDerWaalsContact OG-OD1 3.13Å; S193-D315 PolarHBondContact OG-OD2 2.62Å; D315-G319 PolarHBondContact O-N 3.37Å |
| 316 | A | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.3 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I180 R184 D314 G319 L320 Y354 | I180-A316 HydrophobicContact CG2-CB 4.19Å; R184-A316 HydrophobicContact CB-CB 4.05Å; R184-A316 HydrophobicContact CG-CB 4.06Å; D314-A316 VanDerWaalsContact C-N 3.25Å; D314-A316 PolarHBondContact O-N 2.82Å; A316-G319 PolarHBondContact O-N 3.48Å; A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 VanDerWaalsContact O-CG 3.28Å; A316-L320 WeakPolarHBondContact O-CG 3.49Å; A316-L320 PolarHBondContact O-N 2.87Å; A316-Y354 HydrophobicContact CB-CD1 4.29Å; A316-Y354 HydrophobicContact CB-CE1 3.5Å; A316-Y354 VanDerWaalsContact CB-CE1 3.5Å; A316-Y354 HydrophobicContact CB-CE2 4.45Å |
| 317 | E | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 176.1 | -72.8 | 171.9 | 159.8 | 0 | 0 | 112.3 | M313 D314 L320 L321 L351 Y354 V355 R358 R359 M369 | M313-E317 VanDerWaalsContact CA-OE2 3.31Å; M313-E317 WeakPolarHBondContact CA-OE2 3.3Å; M313-E317 HydrophobicContact CE-CB 4.14Å; D314-E317 PolarHBondContact N-OE2 3.49Å; D314-E317 PolarHBondContact O-N 3.07Å; D314-E317 WeakPolarHBondContact OD1-CB 3.34Å; D314-E317 VanDerWaalsContact OD1-CG 3.29Å; D314-E317 WeakPolarHBondContact OD1-CG 3.49Å; D314-E317 PolarHBondContact OD1-N 3.17Å; E317-L320 PolarHBondContact O-N 3.15Å; E317-L321 VanDerWaalsContact O-CB 3.27Å; E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 PolarHBondContact O-N 3.39Å; E317-L351 HydrophobicContact CB-CD1 4.21Å; E317-L351 HydrophobicContact CG-CD1 4Å; E317-Y354 HydrophobicContact CG-CD1 3.85Å; E317-Y354 HydrophobicContact CG-CE1 4.04Å; E317-V355 HydrophobicContact CG-CG2 4.1Å; E317-V355 VanDerWaalsContact OE1-CG2 3.26Å; E317-V355 WeakPolarHBondContact OE1-CG2 3.27Å; E317-R358 IonicContact OE1-CZ 2.63Å; E317-R358 VanDerWaalsContact OE1-CZ 3.29Å; E317-R358 IonicContact OE1-NH1 3.41Å; E317-R358 PolarHBondContact OE1-NH1 3.12Å; E317-R358 IonicContact OE1-NH2 2.93Å; E317-R358 PolarHBondContact OE1-NH2 3.14Å; E317-R358 IonicContact OE2-CZ 3.39Å; E317-R358 VanDerWaalsContact OE2-CZ 3.31Å; E317-R358 IonicContact OE2-NH1 3.23Å; E317-R358 PolarHBondContact OE2-NH1 3.08Å; E317-R358 IonicContact OE2-NH2 2.63Å; E317-R358 PolarHBondContact OE2-NH2 3.15Å; E317-R359 IonicContact OE1-CZ 2.81Å; E317-R359 IonicContact OE1-NH1 2.79Å; E317-R359 PolarHBondContact OE1-NH1 3.31Å; E317-R359 IonicContact OE1-NH2 2.74Å; E317-R359 PolarHBondContact OE1-NH2 3.21Å; E317-R359 IonicContact OE2-CZ 3.9Å; E317-R359 IonicContact OE2-NH1 3.78Å; E317-R359 IonicContact OE2-NH2 2.91Å; E317-R359 PolarHBondContact OE2-NH2 3.44Å; E317-M369 HydrophobicContact CB-CE 4.28Å; E317-M369 HydrophobicContact CG-CE 4.14Å; E317-M369 WeakPolarHBondContact OE1-CE 3.13Å; E317-M369 WeakPolarHBondContact OE2-CE 3.44Å |
| 318 | T | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.2 | -53.9 | 0 | 0 | 0 | 0 | 111 | L263 T267 D314 L321 S322 | L263-T318 HydrophobicContact CD2-CG2 4.47Å; L263-T318 HydrophobicContact CG-CG2 4.35Å; T267-T318 HydrophobicContact CG2-CG2 3.84Å; D314-T318 WeakPolarHBondContact O-CB 3.18Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 3.21Å; T318-L321 PolarHBondContact O-N 3.41Å; T318-S322 WeakPolarHBondContact O-CB 3.38Å; T318-S322 PolarHBondContact O-N 3.43Å; T318-S322 PolarHBondContact O-OG 3.41Å |
| 319 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V183 D315 A316 S322 A323 | V183-G319 VanDerWaalsContact CG1-C 3.42Å; D315-G319 PolarHBondContact O-N 3.37Å; A316-G319 PolarHBondContact O-N 3.48Å; G319-S322 WeakPolarHBondContact O-CB 3.44Å; G319-S322 PolarHBondContact O-N 3.29Å; G319-A323 WeakPolarHBondContact O-CB 3.4Å; G319-A323 PolarHBondContact O-N 3.27Å |
| 320 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.6 | -72.7 | 165.6 | 0 | 0 | 0 | 111.9 | I180 V183 A316 E317 S322 A323 I324 L347 A350 L351 | I180-L320 HydrophobicContact CG1-CD1 4.27Å; I180-L320 HydrophobicContact CG2-CD1 4.44Å; V183-L320 HydrophobicContact CB-CD2 4.24Å; V183-L320 HydrophobicContact CG1-CD2 4.06Å; V183-L320 HydrophobicContact CG1-CG 4.16Å; V183-L320 HydrophobicContact CG2-CD2 4.28Å; A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 VanDerWaalsContact O-CG 3.28Å; A316-L320 WeakPolarHBondContact O-CG 3.49Å; A316-L320 PolarHBondContact O-N 2.87Å; E317-L320 PolarHBondContact O-N 3.15Å; L320-S322 VanDerWaalsContact C-N 3.31Å; L320-S322 PolarHBondContact O-N 3.05Å; L320-A323 PolarHBondContact O-N 3.05Å; L320-I324 WeakPolarHBondContact O-CD1 3.44Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.39Å; L320-I324 PolarHBondContact O-N 3.45Å; L320-L347 HydrophobicContact CD2-CD2 3.99Å; L320-A350 HydrophobicContact CD2-CB 4.16Å; L320-L351 HydrophobicContact CB-CB 4.23Å; L320-L351 HydrophobicContact CB-CD1 4.05Å; L320-L351 HydrophobicContact CD1-CB 4.17Å; L320-L351 HydrophobicContact CD1-CD1 4.15Å |
| 321 | L | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 177.3 | -160.4 | 72 | 0 | 0 | 0 | 111.6 | L263 M313 E317 T318 I324 C325 L351 I373 | L263-L321 HydrophobicContact CD1-CD2 4.28Å; L263-L321 HydrophobicContact CD2-CB 4.2Å; L263-L321 HydrophobicContact CD2-CD2 4.04Å; L263-L321 HydrophobicContact CD2-CG 4.29Å; M313-L321 HydrophobicContact CE-CB 4.38Å; M313-L321 HydrophobicContact CE-CD2 3.85Å; E317-L321 VanDerWaalsContact O-CB 3.27Å; E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 PolarHBondContact O-N 3.39Å; T318-L321 PolarHBondContact O-N 3.41Å; L321-I324 PolarHBondContact O-N 3.05Å; L321-C325 PolarHBondContact O-N 3.43Å; L321-C325 PolarHBondContact O-SG 3.27Å; L321-L351 HydrophobicContact CD1-CD2 4.09Å; L321-I373 HydrophobicContact CD1-CD1 3.83Å; L321-I373 HydrophobicContact CD1-CG1 3.87Å; L321-I373 HydrophobicContact CG-CD1 4.49Å; L321-I373 HydrophobicContact CG-CG1 4.28Å |
| 322 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 173.1 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | T318 G319 L320 C325 L326 | T318-S322 WeakPolarHBondContact O-CB 3.38Å; T318-S322 PolarHBondContact O-N 3.43Å; T318-S322 PolarHBondContact O-OG 3.41Å; G319-S322 WeakPolarHBondContact O-CB 3.44Å; G319-S322 PolarHBondContact O-N 3.29Å; L320-S322 VanDerWaalsContact C-N 3.31Å; L320-S322 PolarHBondContact O-N 3.05Å; S322-C325 PolarHBondContact O-N 3.37Å; S322-L326 PolarHBondContact O-N 2.76Å |
| 323 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V183 F234 L238 G319 L320 L326 L327 L347 | V183-A323 HydrophobicContact CG1-CB 4.45Å; F234-A323 HydrophobicContact CZ-CB 4.28Å; L238-A323 HydrophobicContact CD1-CB 3.77Å; L238-A323 HydrophobicContact CD2-CB 3.87Å; L238-A323 HydrophobicContact CG-CB 4.49Å; G319-A323 WeakPolarHBondContact O-CB 3.4Å; G319-A323 PolarHBondContact O-N 3.27Å; L320-A323 PolarHBondContact O-N 3.05Å; A323-L326 PolarHBondContact O-N 3.34Å; A323-L327 PolarHBondContact O-N 2.96Å; A323-L347 HydrophobicContact CB-CD1 3.82Å; A323-L347 HydrophobicContact CB-CD2 4.44Å |
| 324 | I | 98.7 | Very high | 97 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 174.1 | -68 | 160.4 | 0 | 0 | 0 | 111.1 | L320 L321 L326 Q344 L347 L348 L351 L370 I373 | L320-I324 WeakPolarHBondContact O-CD1 3.44Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.39Å; L320-I324 PolarHBondContact O-N 3.45Å; L321-I324 PolarHBondContact O-N 3.05Å; I324-L326 VanDerWaalsContact C-N 3.3Å; I324-L326 PolarHBondContact O-N 2.88Å; I324-Q344 HydrophobicContact CG2-CG 4.43Å; I324-Q344 PolarHBondContact O-NE2 3.33Å; I324-L347 HydrophobicContact CG1-CB 4.01Å; I324-L348 HydrophobicContact CD1-CD2 3.95Å; I324-L348 HydrophobicContact CD1-CG 4.28Å; I324-L348 HydrophobicContact CG1-CD2 4.33Å; I324-L348 HydrophobicContact CG1-CG 4.31Å; I324-L348 HydrophobicContact CG2-CD2 4.07Å; I324-L351 HydrophobicContact CD1-CB 4.21Å; I324-L351 HydrophobicContact CD1-CD2 3.64Å; I324-L370 HydrophobicContact CG2-CD1 4.39Å; I324-I373 HydrophobicContact CG2-CD1 3.75Å |
| 325 | C | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -35.7 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | A256 D259 L321 S322 R331 | A256-C325 WeakPolarHBondContact CB-O 3.29Å; D259-C325 HydrophobicContact CB-CB 4.37Å; L321-C325 PolarHBondContact O-N 3.43Å; L321-C325 PolarHBondContact O-SG 3.27Å; S322-C325 PolarHBondContact O-N 3.37Å; C325-R331 PolarHBondContact O-NH2 3.28Å |
| 326 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.5 | -55.4 | 179.5 | -179.5 | 64.9 | 0 | 0 | 0 | 112.5 | A235 L238 F241 L252 L253 A256 I260 S322 A323 I324 C328 | A235-L326 HydrophobicContact CB-CD2 3.48Å; A235-L326 VanDerWaalsContact CB-CD2 3.48Å; L238-L326 HydrophobicContact CD1-CD2 3.66Å; F241-L326 HydrophobicContact CD2-CD2 4.11Å; F241-L326 HydrophobicContact CE2-CD1 4.42Å; F241-L326 HydrophobicContact CE2-CD2 3.94Å; F241-L326 HydrophobicContact CE2-CG 4.21Å; L252-L326 HydrophobicContact CB-CD1 4.26Å; L252-L326 WeakPolarHBondContact CD2-O 3.37Å; L253-L326 HydrophobicContact CD2-CD1 3.94Å; L253-L326 HydrophobicContact CG-CD1 4.22Å; A256-L326 HydrophobicContact CB-CB 4.42Å; A256-L326 HydrophobicContact CB-CD1 4.09Å; I260-L326 HydrophobicContact CD1-CB 4.15Å; I260-L326 HydrophobicContact CD1-CD1 4.37Å; S322-L326 PolarHBondContact O-N 2.76Å; A323-L326 PolarHBondContact O-N 3.34Å; I324-L326 VanDerWaalsContact C-N 3.3Å; I324-L326 PolarHBondContact O-N 2.88Å; L326-C328 PolarHBondContact O-N 2.88Å |
| 327 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -85.3 | 91.6 | -177.7 | -70.8 | 163.4 | 0 | 0 | 0 | 108.7 | F241 L244 L252 A323 V340 L343 Q344 L347 | F241-L327 HydrophobicContact CD2-CD2 4.06Å; L244-L327 HydrophobicContact CD1-CD2 4.07Å; L252-L327 HydrophobicContact CD1-CD2 4.3Å; A323-L327 PolarHBondContact O-N 2.96Å; L327-V340 HydrophobicContact CB-CG1 4.35Å; L327-V340 HydrophobicContact CD2-CG1 4.42Å; L327-L343 HydrophobicContact CD1-CB 4.41Å; L327-L343 HydrophobicContact CD2-CB 4.32Å; L327-L343 HydrophobicContact CD2-CD1 4.37Å; L327-Q344 HydrophobicContact CB-CB 4.21Å; L327-Q344 HydrophobicContact CB-CG 4.42Å; L327-Q344 WeakPolarHBondContact O-CB 3.34Å; L327-Q344 WeakPolarHBondContact O-CG 3.36Å; L327-Q344 PolarHBondContact O-NE2 3.22Å; L327-L347 HydrophobicContact CD1-CD1 3.43Å; L327-L347 VanDerWaalsContact CD1-CD1 3.43Å |
| 328 | C | 96.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | trans | -134.4 | 116 | -178.2 | -175 | 0 | 0 | 0 | 0 | 109.2 | L326 D330 R331 R377 | L326-C328 PolarHBondContact O-N 2.88Å; C328-D330 PolarHBondContact O-N 3.38Å; C328-R331 HydrophobicContact CB-CG 4.45Å; C328-R331 WeakPolarHBondContact O-CG 3.25Å; C328-R331 PolarHBondContact O-N 3.35Å; C328-R377 PolarHBondContact SG-NH2 2.9Å | ||
| 329 | G | 95.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R331 D341 | G329-R331 PolarHBondContact O-N 2.91Å; G329-R331 VanDerWaalsContact O-N 3.16Å; G329-D341 WeakPolarHBondContact CA-OD1 3.43Å; G329-D341 PolarHBondContact N-OD1 3.38Å |
| 330 | D | 94.8 | Very high | 97.2 | Very high | 128 Ų | 128 | 43.9 Ų | 43.9 | 68% | 0.684 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 0.9 | 177.2 | -58.4 | -33 | 0 | 0 | 0 | 114.3 | C328 | C328-D330 PolarHBondContact O-N 3.38Š|
| 331 | R | 94.6 | Very high | 97.1 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | trans | -73.1 | 140.1 | 178.6 | -56.8 | -47.8 | -176.4 | 155.9 | 0.3 | 110.1 | T251 L252 A255 D259 C325 C328 G329 L334 | T251-R331 HydrophobicContact CG2-CB 4.18Å; L252-R331 HydrophobicContact CD2-CG 3.97Å; A255-R331 HydrophobicContact CB-CG 3.95Å; A255-R331 PolarHBondContact O-NH1 3.03Å; A255-R331 PolarHBondContact O-NH2 3.21Å; D259-R331 IonicContact OD2-NH2 3.46Å; C325-R331 PolarHBondContact O-NH2 3.28Å; C328-R331 HydrophobicContact CB-CG 4.45Å; C328-R331 WeakPolarHBondContact O-CG 3.25Å; C328-R331 PolarHBondContact O-N 3.35Å; G329-R331 PolarHBondContact O-N 2.91Å; G329-R331 VanDerWaalsContact O-N 3.16Å; R331-L334 HydrophobicContact CB-CD1 3.89Å; R331-L334 HydrophobicContact CB-CG 4.05Å | ||
| 332 | Q | 92.3 | Very high | 97.1 | Very high | 139 Ų | 139 | 51.9 Ų | 51.9 | 65% | 0.65 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 154.8 | 173 | -59.2 | -176.1 | 34.4 | 0 | 0 | 109.6 | T251 L334 | T251-Q332 WeakPolarHBondContact CG2-O 3.44Å; Q332-L334 VanDerWaalsContact C-N 3.28Å; Q332-L334 PolarHBondContact O-N 3.43Å |
| 333 | D | 94.3 | Very high | 97.1 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 65% | 0.652 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 26.3 | 176.4 | -50.7 | -33.4 | 0 | 0 | 0 | 116.2 | ||
| 334 | L | 97.1 | Very high | 97 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | trans | -79.9 | 132.1 | 167.7 | -69.6 | 175.6 | 0 | 0 | 0 | 111.3 | D248 T251 L252 R331 Q332 A337 V340 | D248-L334 HydrophobicContact CB-CD2 3.95Å; D248-L334 WeakPolarHBondContact OD1-CA 3.29Å; T251-L334 HydrophobicContact CG2-CD2 3.83Å; T251-L334 HydrophobicContact CG2-CG 4.27Å; L252-L334 HydrophobicContact CD2-CD1 4.24Å; L252-L334 HydrophobicContact CD2-CD2 4.02Å; L252-L334 HydrophobicContact CG-CD2 4.02Å; R331-L334 HydrophobicContact CB-CD1 3.89Å; R331-L334 HydrophobicContact CB-CG 4.05Å; Q332-L334 VanDerWaalsContact C-N 3.28Å; Q332-L334 PolarHBondContact O-N 3.43Å; L334-A337 HydrophobicContact CB-CB 4.05Å; L334-A337 HydrophobicContact CD1-CB 4.26Å; L334-V340 HydrophobicContact CD1-CG2 4.23Å | ||
| 335 | E | 97.6 | Very high | 97 | Very high | 133 Ų | 133 | 60.7 Ų | 60.7 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -75.6 | -42.6 | 172.7 | -62.9 | 177.4 | 159.9 | 0 | 0 | 111 | T245 D248 | T245-E335 VanDerWaalsContact CB-OE2 3.24Å; T245-E335 WeakPolarHBondContact CB-OE2 3.26Å; T245-E335 VanDerWaalsContact CG2-OE2 3.28Å; T245-E335 WeakPolarHBondContact CG2-OE2 3.29Å; T245-E335 PolarHBondContact OG1-OE2 2.81Å; D248-E335 PolarHBondContact OD1-N 2.9Å |
| 336 | E | 96.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 63 Ų | 63 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -119.5 | 53.5 | -177.3 | -58.3 | -174.3 | 107.1 | 0 | 0 | 112.5 | T245 D248 D338 K339 V340 | T245-E336 HydrophobicContact CG2-CG 4.31Å; D248-E336 PolarHBondContact OD2-N 2.96Å; E336-D338 VanDerWaalsContact C-N 3.35Å; E336-D338 PolarHBondContact O-N 2.92Å; E336-K339 HydrophobicContact CB-CB 3.94Å; E336-K339 HydrophobicContact CB-CD 4.2Å; E336-K339 WeakPolarHBondContact O-CB 3.25Å; E336-K339 PolarHBondContact O-N 3.22Å; E336-K339 IonicContact OE1-NZ 3.38Å; E336-K339 PolarHBondContact OE1-NZ 2.81Å; E336-K339 WeakPolarHBondContact OE2-CD 3.3Å; E336-K339 IonicContact OE2-NZ 2.86Å; E336-K339 PolarHBondContact OE2-NZ 2.95Å; E336-V340 PolarHBondContact O-N 3.14Å |
| 337 | A | 97.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52 | -45.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L334 K339 V340 D341 | L334-A337 HydrophobicContact CB-CB 4.05Å; L334-A337 HydrophobicContact CD1-CB 4.26Å; A337-K339 VanDerWaalsContact C-N 3.25Å; A337-K339 PolarHBondContact O-N 3.03Å; A337-V340 WeakPolarHBondContact O-CB 3.4Å; A337-V340 PolarHBondContact O-N 3.32Å; A337-D341 PolarHBondContact O-N 2.64Å; A337-D341 VanDerWaalsContact O-N 3.13Å |
| 338 | D | 97.9 | Very high | 96.9 | Very high | 132 Ų | 132 | 65.3 Ų | 65.3 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59 | -36.5 | 178.5 | -66.8 | -27.6 | 0 | 0 | 0 | 112.4 | E336 V340 D341 I342 | E336-D338 VanDerWaalsContact C-N 3.35Å; E336-D338 PolarHBondContact O-N 2.92Å; D338-V340 VanDerWaalsContact C-N 3.35Å; D338-D341 PolarHBondContact O-N 3.02Å; D338-I342 WeakPolarHBondContact O-CD1 3.49Å; D338-I342 VanDerWaalsContact O-CG1 3.27Å; D338-I342 WeakPolarHBondContact O-CG1 3.37Å; D338-I342 PolarHBondContact O-N 3.36Å |
| 339 | K | 98.1 | Very high | 96.8 | Very high | 64 Ų | 64 | 69 Ų | 69 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.4 | -34.1 | 178.5 | -174.4 | 179.8 | 170.5 | -170.9 | 0 | 111.2 | T243 L244 E336 A337 I342 L343 | T243-K339 PolarHBondContact O-NZ 2.9Å; L244-K339 HydrophobicContact CD2-CB 4.47Å; L244-K339 HydrophobicContact CD2-CD 3.93Å; L244-K339 HydrophobicContact CD2-CG 3.99Å; E336-K339 HydrophobicContact CB-CB 3.94Å; E336-K339 HydrophobicContact CB-CD 4.2Å; E336-K339 WeakPolarHBondContact O-CB 3.25Å; E336-K339 PolarHBondContact O-N 3.22Å; E336-K339 IonicContact OE1-NZ 3.38Å; E336-K339 PolarHBondContact OE1-NZ 2.81Å; E336-K339 WeakPolarHBondContact OE2-CD 3.3Å; E336-K339 IonicContact OE2-NZ 2.86Å; E336-K339 PolarHBondContact OE2-NZ 2.95Å; A337-K339 VanDerWaalsContact C-N 3.25Å; A337-K339 PolarHBondContact O-N 3.03Å; K339-I342 PolarHBondContact O-N 3.46Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.07Å |
| 340 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 174 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L244 L252 L327 L334 E336 A337 D338 L343 Q344 | L244-V340 HydrophobicContact CD1-CG2 4.16Å; L244-V340 HydrophobicContact CD2-CG2 4.05Å; L252-V340 HydrophobicContact CD1-CG1 4.16Å; L252-V340 HydrophobicContact CD1-CG2 4.05Å; L252-V340 HydrophobicContact CD2-CG1 3.93Å; L327-V340 HydrophobicContact CB-CG1 4.35Å; L327-V340 HydrophobicContact CD2-CG1 4.42Å; L334-V340 HydrophobicContact CD1-CG2 4.23Å; E336-V340 PolarHBondContact O-N 3.14Å; A337-V340 WeakPolarHBondContact O-CB 3.4Å; A337-V340 PolarHBondContact O-N 3.32Å; D338-V340 VanDerWaalsContact C-N 3.35Å; V340-L343 WeakPolarHBondContact O-CB 3.41Å; V340-L343 PolarHBondContact O-N 3.46Å; V340-Q344 PolarHBondContact O-N 2.82Å |
| 341 | D | 97.9 | Very high | 97 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 177 | -75.2 | -23.6 | 0 | 0 | 0 | 111.8 | G329 A337 D338 L343 Q344 E345 | G329-D341 WeakPolarHBondContact CA-OD1 3.43Å; G329-D341 PolarHBondContact N-OD1 3.38Å; A337-D341 PolarHBondContact O-N 2.64Å; A337-D341 VanDerWaalsContact O-N 3.13Å; D338-D341 PolarHBondContact O-N 3.02Å; D341-L343 PolarHBondContact O-N 3.32Å; D341-Q344 PolarHBondContact O-N 3.38Å; D341-E345 WeakPolarHBondContact O-CG 3.38Å; D341-E345 PolarHBondContact O-N 3.06Å |
| 342 | I | 97.9 | Very high | 97.1 | Very high | 112 Ų | 112 | 62 Ų | 62 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.3 | -36.9 | 173.8 | -69.9 | 165.1 | 0 | 0 | 0 | 111.6 | D338 K339 P346 | D338-I342 WeakPolarHBondContact O-CD1 3.49Å; D338-I342 VanDerWaalsContact O-CG1 3.27Å; D338-I342 WeakPolarHBondContact O-CG1 3.37Å; D338-I342 PolarHBondContact O-N 3.36Å; K339-I342 PolarHBondContact O-N 3.46Å; I342-P346 WeakPolarHBondContact O-CD 3.4Å |
| 343 | L | 97.9 | Very high | 97.1 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.3 | -28.9 | 175.4 | -71.9 | 177.5 | 0 | 0 | 0 | 113.1 | L244 L327 K339 V340 D341 P346 | L244-L343 HydrophobicContact CD1-CD1 4.04Å; L244-L343 HydrophobicContact CD2-CD1 3.79Å; L244-L343 HydrophobicContact CG-CD1 3.87Å; L327-L343 HydrophobicContact CD1-CB 4.41Å; L327-L343 HydrophobicContact CD2-CB 4.32Å; L327-L343 HydrophobicContact CD2-CD1 4.37Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.07Å; V340-L343 WeakPolarHBondContact O-CB 3.41Å; V340-L343 PolarHBondContact O-N 3.46Å; D341-L343 PolarHBondContact O-N 3.32Å; L343-P346 WeakPolarHBondContact O-CD 3.49Å; L343-P346 WeakPolarHBondContact O-CG 3.36Å |
| 344 | Q | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.4 | -38.9 | -179.9 | -165.6 | -163.5 | 63.2 | 0 | 0 | 112.7 | I324 L327 V340 D341 L347 L348 | I324-Q344 HydrophobicContact CG2-CG 4.43Å; I324-Q344 PolarHBondContact O-NE2 3.33Å; L327-Q344 HydrophobicContact CB-CB 4.21Å; L327-Q344 HydrophobicContact CB-CG 4.42Å; L327-Q344 WeakPolarHBondContact O-CB 3.34Å; L327-Q344 WeakPolarHBondContact O-CG 3.36Å; L327-Q344 PolarHBondContact O-NE2 3.22Å; V340-Q344 PolarHBondContact O-N 2.82Å; D341-Q344 PolarHBondContact O-N 3.38Å; Q344-L347 WeakPolarHBondContact O-CA 3.33Å; Q344-L347 WeakPolarHBondContact O-CB 3.44Å; Q344-L347 PolarHBondContact O-N 2.97Å; Q344-L348 HydrophobicContact CG-CD1 4.21Å; Q344-L348 HydrophobicContact CG-CG 4.45Å; Q344-L348 PolarHBondContact O-N 3.17Å; Q344-L348 VanDerWaalsContact O-N 3.1Å |
| 345 | E | 97.2 | Very high | 97.1 | Very high | 126 Ų | 126 | 51.2 Ų | 51.2 | 59% | 0.589 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -46.6 | -51.2 | -178.8 | -77.5 | -176.8 | 179.4 | 0 | 0 | 114.8 | D341 L347 L348 E349 | D341-E345 WeakPolarHBondContact O-CG 3.38Å; D341-E345 PolarHBondContact O-N 3.06Å; E345-L347 PolarHBondContact O-N 3.02Å; E345-L348 WeakPolarHBondContact O-CB 3.3Å; E345-L348 PolarHBondContact O-N 3.31Å; E345-E349 PolarHBondContact O-N 2.83Å |
| 346 | P | 96.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.7 | -25.5 | -179.7 | 26.7 | -35.9 | 0 | 0 | 0 | 113 | M179 I342 L343 A350 | M179-P346 HydrophobicContact CE-CB 3.84Å; M179-P346 HydrophobicContact CE-CG 4.25Å; M179-P346 HydrophobicContact SD-CB 3.96Å; M179-P346 HydrophobicContact SD-CG 4.49Å; I342-P346 WeakPolarHBondContact O-CD 3.4Å; L343-P346 WeakPolarHBondContact O-CD 3.49Å; L343-P346 WeakPolarHBondContact O-CG 3.36Å; P346-A350 WeakPolarHBondContact O-CB 3.46Å; P346-A350 PolarHBondContact O-N 2.84Å |
| 347 | L | 98.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.8 | -39.2 | 175 | -61.5 | 168.8 | 0 | 0 | 0 | 111.7 | M179 V183 L320 A323 I324 L327 Q344 E345 A350 L351 | M179-L347 HydrophobicContact CG-CD2 4.36Å; M179-L347 HydrophobicContact SD-CD2 4.01Å; V183-L347 HydrophobicContact CG2-CD2 3.94Å; L320-L347 HydrophobicContact CD2-CD2 3.99Å; A323-L347 HydrophobicContact CB-CD1 3.82Å; A323-L347 HydrophobicContact CB-CD2 4.44Å; I324-L347 HydrophobicContact CG1-CB 4.01Å; L327-L347 HydrophobicContact CD1-CD1 3.43Å; L327-L347 VanDerWaalsContact CD1-CD1 3.43Å; Q344-L347 WeakPolarHBondContact O-CA 3.33Å; Q344-L347 WeakPolarHBondContact O-CB 3.44Å; Q344-L347 PolarHBondContact O-N 2.97Å; E345-L347 PolarHBondContact O-N 3.02Å; L347-A350 PolarHBondContact O-N 3.19Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 PolarHBondContact O-N 3.04Å |
| 348 | L | 97.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 173.6 | -78.4 | 162.7 | 0 | 0 | 0 | 111.2 | I324 Q344 E345 L351 K352 L370 | I324-L348 HydrophobicContact CD1-CD2 3.95Å; I324-L348 HydrophobicContact CD1-CG 4.28Å; I324-L348 HydrophobicContact CG1-CD2 4.33Å; I324-L348 HydrophobicContact CG1-CG 4.31Å; I324-L348 HydrophobicContact CG2-CD2 4.07Å; Q344-L348 HydrophobicContact CG-CD1 4.21Å; Q344-L348 HydrophobicContact CG-CG 4.45Å; Q344-L348 PolarHBondContact O-N 3.17Å; Q344-L348 VanDerWaalsContact O-N 3.1Å; E345-L348 WeakPolarHBondContact O-CB 3.3Å; E345-L348 PolarHBondContact O-N 3.31Å; L348-L351 PolarHBondContact O-N 3.07Å; L348-K352 WeakPolarHBondContact O-CB 3.27Å; L348-K352 PolarHBondContact O-N 3.42Å; L348-L370 HydrophobicContact CD2-CD1 3.64Å; L348-L370 HydrophobicContact CD2-CD2 4.21Å |
| 349 | E | 95.9 | Very high | 95.9 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.7 | -40.5 | 177.9 | -169.2 | 59 | -151.3 | 0 | 0 | 111.2 | E345 L351 K352 I353 | E345-E349 PolarHBondContact O-N 2.83Å; E349-L351 PolarHBondContact O-N 3.14Å; E349-K352 VanDerWaalsContact CD-NZ 3.29Å; E349-K352 WeakPolarHBondContact O-CB 3.49Å; E349-K352 PolarHBondContact O-N 3.31Å; E349-K352 IonicContact OE1-NZ 2.78Å; E349-K352 PolarHBondContact OE1-NZ 2.96Å; E349-K352 IonicContact OE2-NZ 2.88Å; E349-K352 PolarHBondContact OE2-NZ 3.03Å; E349-I353 HydrophobicContact CG-CD1 3.88Å; E349-I353 HydrophobicContact CG-CG1 4.37Å; E349-I353 VanDerWaalsContact O-CG1 3.31Å; E349-I353 WeakPolarHBondContact O-CG1 3.41Å; E349-I353 PolarHBondContact O-N 3.38Å |
| 350 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T176 I180 L320 P346 L347 K352 I353 Y354 | T176-A350 HydrophobicContact CG2-CB 3.81Å; I180-A350 HydrophobicContact CD1-CB 4.21Å; I180-A350 HydrophobicContact CG1-CB 3.8Å; L320-A350 HydrophobicContact CD2-CB 4.16Å; P346-A350 WeakPolarHBondContact O-CB 3.46Å; P346-A350 PolarHBondContact O-N 2.84Å; L347-A350 PolarHBondContact O-N 3.19Å; A350-K352 PolarHBondContact O-N 3.32Å; A350-I353 PolarHBondContact O-N 3.07Å; A350-Y354 WeakPolarHBondContact O-CB 3.46Å; A350-Y354 PolarHBondContact O-N 2.97Å |
| 351 | L | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.6 | -179.4 | 63.5 | 0 | 0 | 0 | 111.2 | E317 L320 L321 I324 L347 L348 E349 I353 Y354 V355 F366 | E317-L351 HydrophobicContact CB-CD1 4.21Å; E317-L351 HydrophobicContact CG-CD1 4Å; L320-L351 HydrophobicContact CB-CB 4.23Å; L320-L351 HydrophobicContact CB-CD1 4.05Å; L320-L351 HydrophobicContact CD1-CB 4.17Å; L320-L351 HydrophobicContact CD1-CD1 4.15Å; L321-L351 HydrophobicContact CD1-CD2 4.09Å; I324-L351 HydrophobicContact CD1-CB 4.21Å; I324-L351 HydrophobicContact CD1-CD2 3.64Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 PolarHBondContact O-N 3.04Å; L348-L351 PolarHBondContact O-N 3.07Å; E349-L351 PolarHBondContact O-N 3.14Å; L351-I353 PolarHBondContact O-N 2.66Å; L351-Y354 PolarHBondContact O-N 3.43Å; L351-V355 HydrophobicContact CD1-CG2 3.71Å; L351-V355 HydrophobicContact CG-CG2 4.12Å; L351-V355 WeakPolarHBondContact O-CB 3.25Å; L351-V355 WeakPolarHBondContact O-CG2 3.23Å; L351-V355 PolarHBondContact O-N 2.7Å; L351-F366 HydrophobicContact CB-CE2 4.32Å; L351-F366 HydrophobicContact CD2-CD2 4.33Å; L351-F366 HydrophobicContact CD2-CE2 4.15Å; L351-F366 HydrophobicContact CG-CD2 4.07Å; L351-F366 HydrophobicContact CG-CE2 4.13Å |
| 352 | K | 96.2 | Very high | 94.3 | Very high | 41 Ų | 41 | 57 Ų | 57 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -51.3 | 178.1 | 174.7 | 179.4 | 149.8 | -132.6 | 0 | 112.1 | L348 E349 A350 R356 F366 | L348-K352 WeakPolarHBondContact O-CB 3.27Å; L348-K352 PolarHBondContact O-N 3.42Å; E349-K352 VanDerWaalsContact CD-NZ 3.29Å; E349-K352 WeakPolarHBondContact O-CB 3.49Å; E349-K352 PolarHBondContact O-N 3.31Å; E349-K352 IonicContact OE1-NZ 2.78Å; E349-K352 PolarHBondContact OE1-NZ 2.96Å; E349-K352 IonicContact OE2-NZ 2.88Å; E349-K352 PolarHBondContact OE2-NZ 3.03Å; A350-K352 PolarHBondContact O-N 3.32Å; K352-R356 WeakPolarHBondContact O-CB 3.28Å; K352-R356 VanDerWaalsContact O-CG 3.25Å; K352-R356 WeakPolarHBondContact O-CG 3.41Å; K352-R356 PolarHBondContact O-N 3.18Å; K352-F366 VanDerWaalsContact CA-CD2 3.44Å; K352-F366 HydrophobicContact CB-CD1 3.97Å; K352-F366 HydrophobicContact CB-CD2 3.83Å; K352-F366 HydrophobicContact CB-CE1 3.88Å; K352-F366 HydrophobicContact CB-CE2 3.72Å; K352-F366 HydrophobicContact CB-CG 3.95Å; K352-F366 HydrophobicContact CB-CZ 3.75Å; K352-F366 HydrophobicContact CD-CD1 4.34Å; K352-F366 HydrophobicContact CD-CE1 4.08Å; K352-F366 HydrophobicContact CG-CD1 3.88Å; K352-F366 HydrophobicContact CG-CE1 4.01Å; K352-F366 HydrophobicContact CG-CG 4.17Å; K352-F366 HydrophobicContact CG-CZ 4.39Å |
| 353 | I | 93.4 | Very high | 93.8 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 11% | 0.108 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -44.5 | -178.1 | -59.8 | 169.1 | 0 | 0 | 0 | 109.7 | Y170 L172 E349 A350 L351 R356 K357 | Y170-I353 HydrophobicContact CD1-CG2 4.35Å; L172-I353 HydrophobicContact CD2-CB 3.69Å; L172-I353 HydrophobicContact CD2-CD1 4.43Å; L172-I353 HydrophobicContact CD2-CG2 3.25Å; L172-I353 HydrophobicContact CG-CG2 3.67Å; E349-I353 HydrophobicContact CG-CD1 3.88Å; E349-I353 HydrophobicContact CG-CG1 4.37Å; E349-I353 VanDerWaalsContact O-CG1 3.31Å; E349-I353 WeakPolarHBondContact O-CG1 3.41Å; E349-I353 PolarHBondContact O-N 3.38Å; A350-I353 PolarHBondContact O-N 3.07Å; L351-I353 PolarHBondContact O-N 2.66Å; I353-R356 PolarHBondContact O-N 3.5Å; I353-K357 VanDerWaalsContact O-CB 3.3Å; I353-K357 WeakPolarHBondContact O-CB 3.24Å; I353-K357 PolarHBondContact O-N 2.8Å |
| 354 | Y | 95.1 | Very high | 93.6 | Very high | 39 Ų | 39 | 58 Ų | 58 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -49.2 | -179.3 | -170.9 | -106.5 | 0 | 0 | 0 | 112.7 | I180 D314 A316 E317 A350 L351 R356 K357 R358 | I180-Y354 HydrophobicContact CD1-CD2 4.03Å; I180-Y354 HydrophobicContact CD1-CG 4.36Å; I180-Y354 HydrophobicContact CG2-CD2 3.91Å; I180-Y354 HydrophobicContact CG2-CE2 4.04Å; I180-Y354 HydrophobicContact CG2-CG 4.38Å; D314-Y354 PolarHBondContact OD2-OH 3Å; A316-Y354 HydrophobicContact CB-CD1 4.29Å; A316-Y354 HydrophobicContact CB-CE1 3.5Å; A316-Y354 VanDerWaalsContact CB-CE1 3.5Å; A316-Y354 HydrophobicContact CB-CE2 4.45Å; E317-Y354 HydrophobicContact CG-CD1 3.85Å; E317-Y354 HydrophobicContact CG-CE1 4.04Å; A350-Y354 WeakPolarHBondContact O-CB 3.46Å; A350-Y354 PolarHBondContact O-N 2.97Å; L351-Y354 PolarHBondContact O-N 3.43Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 3.47Å; Y354-K357 PolarHBondContact O-N 2.74Å; Y354-R358 PolarHBondContact O-N 3.46Å |
| 355 | V | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 179.2 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | E317 L351 R358 R359 M365 F366 M369 | E317-V355 HydrophobicContact CG-CG2 4.1Å; E317-V355 VanDerWaalsContact OE1-CG2 3.26Å; E317-V355 WeakPolarHBondContact OE1-CG2 3.27Å; L351-V355 HydrophobicContact CD1-CG2 3.71Å; L351-V355 HydrophobicContact CG-CG2 4.12Å; L351-V355 WeakPolarHBondContact O-CB 3.25Å; L351-V355 WeakPolarHBondContact O-CG2 3.23Å; L351-V355 PolarHBondContact O-N 2.7Å; V355-R358 PolarHBondContact O-N 3.15Å; V355-R359 PolarHBondContact O-N 3.4Å; V355-M365 HydrophobicContact CG1-CB 3.74Å; V355-F366 HydrophobicContact CB-CB 4.23Å; V355-F366 HydrophobicContact CG1-CB 4.06Å; V355-M369 HydrophobicContact CG1-SD 4.01Å; V355-M369 HydrophobicContact CG2-SD 3.6Å; V355-M369 VanDerWaalsContact CG2-SD 3.6Å |
| 356 | R | 92.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 18% | 0.177 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73.1 | -34.4 | -178.6 | -68.8 | 179.4 | 172 | -174.8 | -4.2 | 112.6 | E168 Y170 K352 I353 Y354 R359 P360 | E168-R356 IonicContact OE1-NH1 3.49Å; E168-R356 IonicContact OE2-CZ 2.73Å; E168-R356 IonicContact OE2-NH1 3.17Å; E168-R356 PolarHBondContact OE2-NH1 2.74Å; Y170-R356 HydrophobicContact CD1-CB 4.14Å; Y170-R356 HydrophobicContact CD2-CB 3.86Å; Y170-R356 HydrophobicContact CE1-CB 4.03Å; Y170-R356 HydrophobicContact CE1-CG 4.39Å; Y170-R356 HydrophobicContact CE2-CB 3.7Å; Y170-R356 HydrophobicContact CE2-CG 4.47Å; Y170-R356 HydrophobicContact CG-CB 4.1Å; Y170-R356 WeakPolarHBondContact OH-CD 3.47Å; Y170-R356 PolarHBondContact OH-NH1 2.75Å; Y170-R356 VanDerWaalsContact OH-NH1 3.15Å; K352-R356 WeakPolarHBondContact O-CB 3.28Å; K352-R356 VanDerWaalsContact O-CG 3.25Å; K352-R356 WeakPolarHBondContact O-CG 3.41Å; K352-R356 PolarHBondContact O-N 3.18Å; I353-R356 PolarHBondContact O-N 3.5Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 3.47Å; R356-R359 CarbonylContact O-C 3.46Å; R356-R359 VanDerWaalsContact O-C 3.3Å; R356-P360 WeakPolarHBondContact O-CA 3.45Å |
| 357 | K | 89.1 | Confident | 93.4 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 171.9 | -172.7 | 177.4 | -177.2 | -178.7 | 0 | 110.9 | L172 E177 I353 Y354 | L172-K357 HydrophobicContact CD1-CD 3.57Å; L172-K357 HydrophobicContact CG-CD 4.22Å; E177-K357 IonicContact OE1-NZ 3.44Å; E177-K357 PolarHBondContact OE1-NZ 2.9Å; I353-K357 VanDerWaalsContact O-CB 3.3Å; I353-K357 WeakPolarHBondContact O-CB 3.24Å; I353-K357 PolarHBondContact O-N 2.8Å; Y354-K357 PolarHBondContact O-N 2.74Å |
| 358 | R | 91.9 | Very high | 93.4 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 32% | 0.317 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.3 | -27.5 | -179.5 | -151.3 | 174 | 76.7 | -134.1 | 19.3 | 113.5 | E312 D314 E317 Y354 V355 | E312-R358 PolarHBondContact O-NH2 3.29Å; D314-R358 IonicContact OD1-CZ 3.83Å; D314-R358 IonicContact OD1-NH1 3.35Å; D314-R358 PolarHBondContact OD1-NH1 2.84Å; D314-R358 IonicContact OD1-NH2 3.79Å; D314-R358 PolarHBondContact OD1-NH2 3.28Å; D314-R358 IonicContact OD2-CZ 3.25Å; D314-R358 VanDerWaalsContact OD2-CZ 3.23Å; D314-R358 IonicContact OD2-NE 3.31Å; D314-R358 IonicContact OD2-NH1 2.62Å; D314-R358 PolarHBondContact OD2-NH1 2.79Å; D314-R358 IonicContact OD2-NH2 3.29Å; E317-R358 IonicContact OE1-CZ 2.63Å; E317-R358 VanDerWaalsContact OE1-CZ 3.29Å; E317-R358 IonicContact OE1-NH1 3.41Å; E317-R358 PolarHBondContact OE1-NH1 3.12Å; E317-R358 IonicContact OE1-NH2 2.93Å; E317-R358 PolarHBondContact OE1-NH2 3.14Å; E317-R358 IonicContact OE2-CZ 3.39Å; E317-R358 VanDerWaalsContact OE2-CZ 3.31Å; E317-R358 IonicContact OE2-NH1 3.23Å; E317-R358 PolarHBondContact OE2-NH1 3.08Å; E317-R358 IonicContact OE2-NH2 2.63Å; E317-R358 PolarHBondContact OE2-NH2 3.15Å; Y354-R358 PolarHBondContact O-N 3.46Å; V355-R358 PolarHBondContact O-N 3.15Å |
| 359 | R | 90.4 | Very high | 93.4 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -129.7 | 70.2 | 178.6 | -57.4 | 178.3 | -162.7 | 76.6 | -15.5 | 112 | L311 E312 E317 V355 R356 H361 K362 | L311-R359 PolarHBondContact O-NH2 3.28Å; E312-R359 PolarHBondContact O-NH2 3.09Å; E317-R359 IonicContact OE1-CZ 2.81Å; E317-R359 IonicContact OE1-NH1 2.79Å; E317-R359 PolarHBondContact OE1-NH1 3.31Å; E317-R359 IonicContact OE1-NH2 2.74Å; E317-R359 PolarHBondContact OE1-NH2 3.21Å; E317-R359 IonicContact OE2-CZ 3.9Å; E317-R359 IonicContact OE2-NH1 3.78Å; E317-R359 IonicContact OE2-NH2 2.91Å; E317-R359 PolarHBondContact OE2-NH2 3.44Å; V355-R359 PolarHBondContact O-N 3.4Å; R356-R359 CarbonylContact O-C 3.46Å; R356-R359 VanDerWaalsContact O-C 3.3Å; R359-H361 PolarHBondContact O-N 3.4Å; R359-H361 VanDerWaalsContact O-N 3.11Å; R359-K362 HydrophobicContact CB-CB 4.17Å; R359-K362 CarbonylContact O-C 3.58Å; R359-K362 PolarHBondContact O-N 3.25Å | ||
| 360 | P | 85.4 | Confident | 93.4 | Very high | 86 Ų | 86 | 53 Ų | 53 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.5 | -177.2 | -25.9 | 35.5 | 0 | 0 | 0 | 113.8 | R356 | R356-P360 WeakPolarHBondContact O-CA 3.45Š|
| 361 | H | 86.4 | Confident | 93.5 | Very high | 183 Ų | 183 | 58 Ų | 58 | 85% | 0.847 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4.5 | 179.6 | -55.3 | -58.4 | 0 | 0 | 0 | 114.4 | R359 P363 | R359-H361 PolarHBondContact O-N 3.4Å; R359-H361 VanDerWaalsContact O-N 3.11Å; H361-P363 VanDerWaalsContact C-CD 3.47Å |
| 362 | K | 90 | Very high | 93.5 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 39% | 0.391 | 28% | 0.283 | S | S | . | . | trans | -129.6 | 61.1 | 179.4 | -54.4 | 179.2 | -179.7 | 172.6 | 0 | 111.2 | R359 H364 M365 | R359-K362 HydrophobicContact CB-CB 4.17Å; R359-K362 CarbonylContact O-C 3.58Å; R359-K362 PolarHBondContact O-N 3.25Å; K362-H364 PolarHBondContact O-N 3.15Å; K362-H364 VanDerWaalsContact O-N 3.08Å; K362-M365 HydrophobicContact CB-CG 3.54Å; K362-M365 HydrophobicContact CD-CG 4.33Å; K362-M365 WeakPolarHBondContact O-CB 3.47Å; K362-M365 WeakPolarHBondContact O-CG 3.44Å; K362-M365 PolarHBondContact O-N 2.77Å | ||
| 363 | P | 87.9 | Confident | 93.6 | Very high | 61 Ų | 61 | 58 Ų | 58 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.4 | -176.5 | 27.4 | -36.4 | 0 | 0 | 0 | 114.1 | H361 M365 | H361-P363 VanDerWaalsContact C-CD 3.47Å; P363-M365 PolarHBondContact O-N 2.95Å |
| 364 | H | 93.1 | Very high | 93.7 | Very high | 108 Ų | 108 | 61.3 Ų | 61.3 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -4.7 | 175.4 | 64.5 | -87.5 | 0 | 0 | 0 | 113.7 | K362 P367 K368 | K362-H364 PolarHBondContact O-N 3.15Å; K362-H364 VanDerWaalsContact O-N 3.08Å; H364-P367 VanDerWaalsContact O-CD 3.32Å; H364-P367 WeakPolarHBondContact O-CD 3.48Å; H364-P367 VanDerWaalsContact O-CG 3.31Å; H364-P367 WeakPolarHBondContact O-CG 3.3Å; H364-K368 WeakPolarHBondContact O-CB 3.29Å; H364-K368 PolarHBondContact O-N 3.15Å |
| 365 | M | 94.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.7 | -34.7 | 178.9 | -65.2 | -62.6 | -71.2 | 0 | 0 | 112.4 | L311 V355 K362 P363 K368 M369 | L311-M365 HydrophobicContact CB-CE 4.33Å; L311-M365 HydrophobicContact CD2-CE 3.77Å; V355-M365 HydrophobicContact CG1-CB 3.74Å; K362-M365 HydrophobicContact CB-CG 3.54Å; K362-M365 HydrophobicContact CD-CG 4.33Å; K362-M365 WeakPolarHBondContact O-CB 3.47Å; K362-M365 WeakPolarHBondContact O-CG 3.44Å; K362-M365 PolarHBondContact O-N 2.77Å; P363-M365 PolarHBondContact O-N 2.95Å; M365-K368 PolarHBondContact O-N 2.86Å; M365-K368 HydrophobicContact SD-CD 4.32Å; M365-M369 WeakPolarHBondContact O-CB 3.26Å; M365-M369 WeakPolarHBondContact O-CG 3.33Å; M365-M369 PolarHBondContact O-N 3.11Å |
| 366 | F | 97 | Very high | 94 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.1 | -57.9 | 176.1 | 165.9 | -112.6 | 0 | 0 | 0 | 112.4 | L351 K352 V355 K368 M369 L370 | L351-F366 HydrophobicContact CB-CE2 4.32Å; L351-F366 HydrophobicContact CD2-CD2 4.33Å; L351-F366 HydrophobicContact CD2-CE2 4.15Å; L351-F366 HydrophobicContact CG-CD2 4.07Å; L351-F366 HydrophobicContact CG-CE2 4.13Å; K352-F366 VanDerWaalsContact CA-CD2 3.44Å; K352-F366 HydrophobicContact CB-CD1 3.97Å; K352-F366 HydrophobicContact CB-CD2 3.83Å; K352-F366 HydrophobicContact CB-CE1 3.88Å; K352-F366 HydrophobicContact CB-CE2 3.72Å; K352-F366 HydrophobicContact CB-CG 3.95Å; K352-F366 HydrophobicContact CB-CZ 3.75Å; K352-F366 HydrophobicContact CD-CD1 4.34Å; K352-F366 HydrophobicContact CD-CE1 4.08Å; K352-F366 HydrophobicContact CG-CD1 3.88Å; K352-F366 HydrophobicContact CG-CE1 4.01Å; K352-F366 HydrophobicContact CG-CG 4.17Å; K352-F366 HydrophobicContact CG-CZ 4.39Å; V355-F366 HydrophobicContact CB-CB 4.23Å; V355-F366 HydrophobicContact CG1-CB 4.06Å; F366-K368 VanDerWaalsContact C-N 3.26Å; F366-K368 PolarHBondContact O-N 2.9Å; F366-M369 PolarHBondContact O-N 3.05Å; F366-L370 HydrophobicContact CZ-CD2 4.21Å; F366-L370 PolarHBondContact O-N 3.46Å |
| 367 | P | 97.4 | Very high | 94.2 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 178.1 | 24.3 | -33.1 | 0 | 0 | 0 | 111.7 | H364 M369 L370 M371 | H364-P367 VanDerWaalsContact O-CD 3.32Å; H364-P367 WeakPolarHBondContact O-CD 3.48Å; H364-P367 VanDerWaalsContact O-CG 3.31Å; H364-P367 WeakPolarHBondContact O-CG 3.3Å; P367-M369 PolarHBondContact O-N 3.4Å; P367-L370 PolarHBondContact O-N 2.93Å; P367-M371 WeakPolarHBondContact O-CB 3.19Å; P367-M371 WeakPolarHBondContact O-CG 3.25Å; P367-M371 PolarHBondContact O-N 3.14Å |
| 368 | K | 97.1 | Very high | 94.6 | Very high | 94 Ų | 94 | 63.2 Ų | 63.2 | 41% | 0.409 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.8 | -169.3 | -179.1 | 178.4 | -175.2 | 0 | 112.6 | L311 H364 M365 F366 | L311-K368 HydrophobicContact CD2-CB 4.45Å; L311-K368 HydrophobicContact CD2-CD 3.64Å; L311-K368 HydrophobicContact CD2-CG 3.84Å; H364-K368 WeakPolarHBondContact O-CB 3.29Å; H364-K368 PolarHBondContact O-N 3.15Å; M365-K368 PolarHBondContact O-N 2.86Å; M365-K368 HydrophobicContact SD-CD 4.32Å; F366-K368 VanDerWaalsContact C-N 3.26Å; F366-K368 PolarHBondContact O-N 2.9Å |
| 369 | M | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -45.9 | 173.8 | -76.2 | 160.2 | 145.8 | 0 | 0 | 111.5 | L311 M313 E317 V355 M365 F366 P367 M371 K372 | L311-M369 HydrophobicContact CB-CE 4.28Å; L311-M369 HydrophobicContact CB-CG 4.49Å; L311-M369 HydrophobicContact CD1-CG 4Å; L311-M369 HydrophobicContact CD2-CG 4.4Å; M313-M369 HydrophobicContact CB-CE 4.48Å; M313-M369 HydrophobicContact CG-CE 3.62Å; E317-M369 HydrophobicContact CB-CE 4.28Å; E317-M369 HydrophobicContact CG-CE 4.14Å; E317-M369 WeakPolarHBondContact OE1-CE 3.13Å; E317-M369 WeakPolarHBondContact OE2-CE 3.44Å; V355-M369 HydrophobicContact CG1-SD 4.01Å; V355-M369 HydrophobicContact CG2-SD 3.6Å; V355-M369 VanDerWaalsContact CG2-SD 3.6Å; M365-M369 WeakPolarHBondContact O-CB 3.26Å; M365-M369 WeakPolarHBondContact O-CG 3.33Å; M365-M369 PolarHBondContact O-N 3.11Å; F366-M369 PolarHBondContact O-N 3.05Å; P367-M369 PolarHBondContact O-N 3.4Å; M369-M371 VanDerWaalsContact C-N 3.26Å; M369-M371 PolarHBondContact O-N 3.28Å; M369-K372 VanDerWaalsContact O-CB 3.25Å; M369-K372 WeakPolarHBondContact O-CB 3.33Å; M369-K372 PolarHBondContact O-N 2.54Å |
| 370 | L | 97.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 179.9 | -164.7 | 67.4 | 0 | 0 | 0 | 111.7 | I324 L348 F366 P367 K372 I373 | I324-L370 HydrophobicContact CG2-CD1 4.39Å; L348-L370 HydrophobicContact CD2-CD1 3.64Å; L348-L370 HydrophobicContact CD2-CD2 4.21Å; F366-L370 HydrophobicContact CZ-CD2 4.21Å; F366-L370 PolarHBondContact O-N 3.46Å; P367-L370 PolarHBondContact O-N 2.93Å; L370-K372 PolarHBondContact O-N 3.01Å; L370-I373 HydrophobicContact CD1-CD1 3.78Å; L370-I373 VanDerWaalsContact O-CB 3.3Å; L370-I373 WeakPolarHBondContact O-CB 3.24Å; L370-I373 WeakPolarHBondContact O-CG1 3.32Å; L370-I373 PolarHBondContact O-N 3.25Å; L370-I373 VanDerWaalsContact O-N 3.08Å |
| 371 | M | 97.7 | Very high | 95.7 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.5 | 175.2 | -67.3 | -62 | 93.3 | 0 | 0 | 114 | P367 M369 I373 T374 | P367-M371 WeakPolarHBondContact O-CB 3.19Å; P367-M371 WeakPolarHBondContact O-CG 3.25Å; P367-M371 PolarHBondContact O-N 3.14Å; M369-M371 VanDerWaalsContact C-N 3.26Å; M369-M371 PolarHBondContact O-N 3.28Å; M371-I373 PolarHBondContact O-N 3.38Å; M371-T374 PolarHBondContact O-N 2.79Å |
| 372 | K | 97.9 | Very high | 96.2 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 12% | 0.122 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -21.7 | 171.2 | -65.6 | -61 | 99.9 | -162.6 | 0 | 112.4 | F304 L308 L311 M369 L370 T374 D375 L376 | F304-K372 HydrophobicContact CE2-CB 4.05Å; F304-K372 HydrophobicContact CE2-CD 4.11Å; F304-K372 HydrophobicContact CZ-CB 4.14Å; L308-K372 HydrophobicContact CD2-CB 4.38Å; L308-K372 HydrophobicContact CD2-CD 4.17Å; L308-K372 HydrophobicContact CD2-CG 3.93Å; L311-K372 HydrophobicContact CD1-CD 4.25Å; L311-K372 HydrophobicContact CD1-CG 3.64Å; M369-K372 VanDerWaalsContact O-CB 3.25Å; M369-K372 WeakPolarHBondContact O-CB 3.33Å; M369-K372 PolarHBondContact O-N 2.54Å; L370-K372 PolarHBondContact O-N 3.01Å; K372-T374 VanDerWaalsContact C-N 3.25Å; K372-T374 PolarHBondContact O-N 2.86Å; K372-D375 WeakPolarHBondContact CE-OD2 3.43Å; K372-D375 IonicContact NZ-OD2 3.65Å; K372-D375 PolarHBondContact NZ-OD2 2.84Å; K372-D375 PolarHBondContact O-N 3.44Å; K372-L376 VanDerWaalsContact O-CB 3.3Å; K372-L376 WeakPolarHBondContact O-CB 3.38Å; K372-L376 PolarHBondContact O-N 3.25Å |
| 373 | I | 97.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 174 | -61.3 | -179.3 | 0 | 0 | 0 | 110.6 | L321 I324 L370 M371 L376 R377 | L321-I373 HydrophobicContact CD1-CD1 3.83Å; L321-I373 HydrophobicContact CD1-CG1 3.87Å; L321-I373 HydrophobicContact CG-CD1 4.49Å; L321-I373 HydrophobicContact CG-CG1 4.28Å; I324-I373 HydrophobicContact CG2-CD1 3.75Å; L370-I373 HydrophobicContact CD1-CD1 3.78Å; L370-I373 VanDerWaalsContact O-CB 3.3Å; L370-I373 WeakPolarHBondContact O-CB 3.24Å; L370-I373 WeakPolarHBondContact O-CG1 3.32Å; L370-I373 PolarHBondContact O-N 3.25Å; L370-I373 VanDerWaalsContact O-N 3.08Å; M371-I373 PolarHBondContact O-N 3.38Å; I373-L376 PolarHBondContact O-N 3.38Å; I373-R377 HydrophobicContact CG2-CG 4.25Å; I373-R377 WeakPolarHBondContact O-CB 3.48Å; I373-R377 WeakPolarHBondContact O-CG 3.48Å; I373-R377 PolarHBondContact O-N 3.41Å |
| 374 | T | 96.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 47.3 Ų | 47.3 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 178.8 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | M371 K372 S378 | M371-T374 PolarHBondContact O-N 2.79Å; K372-T374 VanDerWaalsContact C-N 3.25Å; K372-T374 PolarHBondContact O-N 2.86Å; T374-S378 PolarHBondContact O-N 2.85Å |
| 375 | D | 96.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 48.1 Ų | 48.1 | 32% | 0.321 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.7 | -59.5 | -50.8 | 0 | 0 | 0 | 110.7 | F304 K372 R377 S378 I379 | F304-D375 HydrophobicContact CD2-CB 4.06Å; F304-D375 HydrophobicContact CE2-CB 3.93Å; K372-D375 WeakPolarHBondContact CE-OD2 3.43Å; K372-D375 IonicContact NZ-OD2 3.65Å; K372-D375 PolarHBondContact NZ-OD2 2.84Å; K372-D375 PolarHBondContact O-N 3.44Å; D375-R377 PolarHBondContact O-N 2.87Å; D375-S378 WeakPolarHBondContact O-CB 3.37Å; D375-S378 PolarHBondContact O-N 3.31Å; D375-S378 VanDerWaalsContact O-N 3.13Å; D375-I379 WeakPolarHBondContact O-CG1 3.42Å; D375-I379 PolarHBondContact O-N 3.07Å |
| 376 | L | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 178.9 | -174.2 | 61 | 0 | 0 | 0 | 111.6 | D259 I262 L263 F304 K372 I373 S378 I379 S380 | D259-L376 HydrophobicContact CB-CD2 3.92Å; D259-L376 HydrophobicContact CB-CG 4.08Å; I262-L376 HydrophobicContact CB-CD1 3.82Å; I262-L376 HydrophobicContact CG2-CD1 3.53Å; L263-L376 HydrophobicContact CB-CD2 4.08Å; F304-L376 HydrophobicContact CE1-CD1 3.87Å; F304-L376 HydrophobicContact CE2-CB 4.42Å; F304-L376 HydrophobicContact CZ-CB 4Å; F304-L376 HydrophobicContact CZ-CD1 4.11Å; K372-L376 VanDerWaalsContact O-CB 3.3Å; K372-L376 WeakPolarHBondContact O-CB 3.38Å; K372-L376 PolarHBondContact O-N 3.25Å; I373-L376 PolarHBondContact O-N 3.38Å; L376-S378 VanDerWaalsContact C-N 3.26Å; L376-S378 PolarHBondContact O-N 2.89Å; L376-I379 PolarHBondContact O-N 3.42Å; L376-S380 PolarHBondContact O-N 2.81Å; L376-S380 PolarHBondContact O-OG 3.47Å; L376-S380 VanDerWaalsContact O-OG 3.07Å |
| 377 | R | 96.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.9 | -38.9 | 176.1 | -74.4 | -179.8 | -179.9 | -171.6 | 0.2 | 112.1 | C328 I373 D375 A381 | C328-R377 PolarHBondContact SG-NH2 2.9Å; I373-R377 HydrophobicContact CG2-CG 4.25Å; I373-R377 WeakPolarHBondContact O-CB 3.48Å; I373-R377 WeakPolarHBondContact O-CG 3.48Å; I373-R377 PolarHBondContact O-N 3.41Å; D375-R377 PolarHBondContact O-N 2.87Å; R377-A381 PolarHBondContact O-N 2.99Å |
| 378 | S | 97.5 | Very high | 96.6 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | T374 D375 L376 K382 | T374-S378 PolarHBondContact O-N 2.85Å; D375-S378 WeakPolarHBondContact O-CB 3.37Å; D375-S378 PolarHBondContact O-N 3.31Å; D375-S378 VanDerWaalsContact O-N 3.13Å; L376-S378 VanDerWaalsContact C-N 3.26Å; L376-S378 PolarHBondContact O-N 2.89Å; S378-K382 PolarHBondContact O-N 3.34Å |
| 379 | I | 98.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 177 | -59 | 164.1 | 0 | 0 | 0 | 109.8 | I262 L300 V301 F304 D375 L376 A381 K382 G383 | I262-I379 HydrophobicContact CD1-CG2 3.94Å; I262-I379 HydrophobicContact CG2-CG2 4.31Å; L300-I379 HydrophobicContact CB-CG1 4.5Å; V301-I379 HydrophobicContact CG2-CG2 3.92Å; F304-I379 HydrophobicContact CB-CD1 3.48Å; F304-I379 VanDerWaalsContact CB-CD1 3.48Å; F304-I379 HydrophobicContact CD1-CD1 4.3Å; F304-I379 HydrophobicContact CD2-CD1 3.82Å; F304-I379 HydrophobicContact CG-CD1 3.62Å; D375-I379 WeakPolarHBondContact O-CG1 3.42Å; D375-I379 PolarHBondContact O-N 3.07Å; L376-I379 PolarHBondContact O-N 3.42Å; I379-A381 PolarHBondContact O-N 3.06Å; I379-K382 PolarHBondContact O-N 3.31Å; I379-G383 PolarHBondContact O-N 3.34Å |
| 380 | S | 97.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 177.7 | -59 | 0 | 0 | 0 | 0 | 112.9 | L258 D259 L376 K382 G383 A384 | L258-S380 WeakPolarHBondContact CD2-O 3.5Å; D259-S380 WeakPolarHBondContact CA-OG 3.48Å; D259-S380 PolarHBondContact N-OG 3.4Å; D259-S380 WeakPolarHBondContact OD1-CB 3.24Å; D259-S380 PolarHBondContact OD1-OG 3.17Å; L376-S380 PolarHBondContact O-N 2.81Å; L376-S380 PolarHBondContact O-OG 3.47Å; L376-S380 VanDerWaalsContact O-OG 3.07Å; S380-K382 PolarHBondContact O-N 2.93Å; S380-G383 CarbonylContact O-C 3.55Å; S380-G383 WeakPolarHBondContact O-CA 3.13Å; S380-G383 PolarHBondContact O-N 2.92Å; S380-A384 PolarHBondContact O-N 3.38Å |
| 381 | A | 96 | Very high | 95.9 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R377 I379 G383 A384 E385 | R377-A381 PolarHBondContact O-N 2.99Å; I379-A381 PolarHBondContact O-N 3.06Å; A381-G383 PolarHBondContact O-N 3.14Å; A381-A384 PolarHBondContact O-N 2.65Å; A381-E385 PolarHBondContact O-N 2.96Å |
| 382 | K | 96.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -30.4 | 172.8 | -63.7 | 178.4 | 178.6 | -177.5 | 0 | 112.2 | L297 L300 S378 I379 S380 E385 R386 | L297-K382 HydrophobicContact CD2-CB 3.57Å; L300-K382 HydrophobicContact CD1-CD 3.55Å; S378-K382 PolarHBondContact O-N 3.34Å; I379-K382 PolarHBondContact O-N 3.31Å; S380-K382 PolarHBondContact O-N 2.93Å; K382-E385 PolarHBondContact O-N 2.66Å; K382-R386 PolarHBondContact O-N 3.01Å |
| 383 | G | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55 | -52.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I379 S380 A381 E385 R386 V387 | I379-G383 PolarHBondContact O-N 3.34Å; S380-G383 CarbonylContact O-C 3.55Å; S380-G383 WeakPolarHBondContact O-CA 3.13Å; S380-G383 PolarHBondContact O-N 2.92Å; A381-G383 PolarHBondContact O-N 3.14Å; G383-E385 VanDerWaalsContact C-N 3.33Å; G383-E385 PolarHBondContact O-N 2.98Å; G383-R386 WeakPolarHBondContact O-CB 3.44Å; G383-R386 PolarHBondContact O-N 2.99Å; G383-R386 VanDerWaalsContact O-N 3.11Å; G383-V387 PolarHBondContact O-N 3.46Å; G383-V387 VanDerWaalsContact O-N 3.09Å |
| 384 | A | 95 | Very high | 95.1 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S380 A381 R386 V387 I388 | S380-A384 PolarHBondContact O-N 3.38Å; A381-A384 PolarHBondContact O-N 2.65Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 3.16Å; A384-V387 WeakPolarHBondContact O-CB 3.25Å; A384-V387 PolarHBondContact O-N 3.34Å; A384-I388 PolarHBondContact O-N 3.16Å |
| 385 | E | 94.7 | Very high | 94.6 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 172.9 | -66.4 | 172.5 | -165.6 | 0 | 0 | 111.9 | A381 K382 G383 V387 I388 T389 | A381-E385 PolarHBondContact O-N 2.96Å; K382-E385 PolarHBondContact O-N 2.66Å; G383-E385 VanDerWaalsContact C-N 3.33Å; G383-E385 PolarHBondContact O-N 2.98Å; E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 3.3Å; E385-I388 WeakPolarHBondContact O-CB 3.32Å; E385-I388 PolarHBondContact O-N 3.43Å; E385-T389 PolarHBondContact O-N 3.05Å; E385-T389 VanDerWaalsContact O-N 3.15Å |
| 386 | R | 94.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 177.4 | -179.7 | 64.2 | -169.3 | 143 | -6.1 | 111.9 | G293 L297 K382 G383 A384 I388 T389 L390 E393 | G293-R386 PolarHBondContact O-NE 2.6Å; G293-R386 PolarHBondContact O-NH2 2.94Å; L297-R386 HydrophobicContact CD1-CB 3.46Å; L297-R386 VanDerWaalsContact CD1-CB 3.46Å; L297-R386 HydrophobicContact CD1-CG 3.78Å; L297-R386 HydrophobicContact CG-CB 4.18Å; L297-R386 HydrophobicContact CG-CG 4.44Å; K382-R386 PolarHBondContact O-N 3.01Å; G383-R386 WeakPolarHBondContact O-CB 3.44Å; G383-R386 PolarHBondContact O-N 2.99Å; G383-R386 VanDerWaalsContact O-N 3.11Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 3.16Å; R386-I388 PolarHBondContact O-N 2.69Å; R386-T389 WeakPolarHBondContact CA-OG1 3.38Å; R386-T389 WeakPolarHBondContact CD-OG1 2.76Å; R386-T389 PolarHBondContact NH1-OG1 3.18Å; R386-T389 PolarHBondContact O-N 2.83Å; R386-T389 VanDerWaalsContact O-N 3.14Å; R386-T389 PolarHBondContact O-OG1 3.05Å; R386-L390 HydrophobicContact CG-CD1 4.04Å; R386-L390 HydrophobicContact CG-CG 4.25Å; R386-L390 VanDerWaalsContact NH2-CD2 3.33Å; R386-L390 WeakPolarHBondContact O-CB 3.49Å; R386-L390 WeakPolarHBondContact O-CG 3.47Å; R386-L390 PolarHBondContact O-N 2.9Å; R386-E393 IonicContact CZ-OE1 2.66Å; R386-E393 IonicContact CZ-OE2 3.6Å; R386-E393 IonicContact NH1-OE1 2.98Å; R386-E393 PolarHBondContact NH1-OE1 3.48Å; R386-E393 IonicContact NH1-OE2 2.74Å; R386-E393 PolarHBondContact NH1-OE2 3.2Å; R386-E393 IonicContact NH2-OE1 2.69Å; R386-E393 IonicContact NH2-OE2 3.54Å; R386-E393 PolarHBondContact NH2-OE2 3.01Å |
| 387 | V | 94.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.2 | -40.8 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | G383 A384 E385 L390 K391 M398 L406 E407 | G383-V387 PolarHBondContact O-N 3.46Å; G383-V387 VanDerWaalsContact O-N 3.09Å; A384-V387 WeakPolarHBondContact O-CB 3.25Å; A384-V387 PolarHBondContact O-N 3.34Å; E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 3.3Å; V387-L390 PolarHBondContact O-N 2.87Å; V387-K391 PolarHBondContact O-N 3.34Å; V387-M398 HydrophobicContact CG1-CE 4.14Å; V387-L406 HydrophobicContact CG1-CB 4.42Å; V387-L406 HydrophobicContact CG2-CB 4.13Å; V387-L406 HydrophobicContact CG2-CD1 4.32Å; V387-E407 HydrophobicContact CG1-CG 4.07Å |
| 388 | I | 92.8 | Very high | 93.8 | Very high | 104 Ų | 104 | 56.7 Ų | 56.7 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 176.8 | -58.5 | 168.1 | 0 | 0 | 0 | 110.7 | A384 E385 R386 L390 K391 | A384-I388 PolarHBondContact O-N 3.16Å; E385-I388 WeakPolarHBondContact O-CB 3.32Å; E385-I388 PolarHBondContact O-N 3.43Å; R386-I388 PolarHBondContact O-N 2.69Å; I388-L390 VanDerWaalsContact C-N 3.32Å; I388-L390 PolarHBondContact O-N 3.02Å; I388-K391 WeakPolarHBondContact O-CB 3.16Å; I388-K391 PolarHBondContact O-N 3.02Å |
| 389 | T | 93.3 | Very high | 93.7 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 179.3 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | E385 R386 K391 M392 | E385-T389 PolarHBondContact O-N 3.05Å; E385-T389 VanDerWaalsContact O-N 3.15Å; R386-T389 WeakPolarHBondContact CA-OG1 3.38Å; R386-T389 WeakPolarHBondContact CD-OG1 2.76Å; R386-T389 PolarHBondContact NH1-OG1 3.18Å; R386-T389 PolarHBondContact O-N 2.83Å; R386-T389 VanDerWaalsContact O-N 3.14Å; R386-T389 PolarHBondContact O-OG1 3.05Å; T389-K391 PolarHBondContact O-N 3.38Å; T389-M392 PolarHBondContact O-N 3.04Å; T389-M392 VanDerWaalsContact O-N 3.08Å |
| 390 | L | 93.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.4 | -35 | 177.6 | -87.5 | 167.9 | 0 | 0 | 0 | 112.1 | L212 W217 G293 R386 V387 I388 M392 E393 I394 M398 | L212-L390 HydrophobicContact CD1-CD2 3.95Å; W217-L390 HydrophobicContact CE3-CD2 4.41Å; W217-L390 HydrophobicContact CH2-CD1 4.26Å; W217-L390 HydrophobicContact CZ3-CD1 3.85Å; W217-L390 HydrophobicContact CZ3-CD2 4.2Å; G293-L390 WeakPolarHBondContact O-CD1 3.46Å; R386-L390 HydrophobicContact CG-CD1 4.04Å; R386-L390 HydrophobicContact CG-CG 4.25Å; R386-L390 VanDerWaalsContact NH2-CD2 3.33Å; R386-L390 WeakPolarHBondContact O-CB 3.49Å; R386-L390 WeakPolarHBondContact O-CG 3.47Å; R386-L390 PolarHBondContact O-N 2.9Å; V387-L390 PolarHBondContact O-N 2.87Å; I388-L390 VanDerWaalsContact C-N 3.32Å; I388-L390 PolarHBondContact O-N 3.02Å; L390-M392 PolarHBondContact O-N 2.87Å; L390-M392 VanDerWaalsContact O-N 3.16Å; L390-E393 PolarHBondContact O-N 3.47Å; L390-I394 WeakPolarHBondContact O-CG1 3.28Å; L390-I394 WeakPolarHBondContact O-CG2 3.2Å; L390-I394 PolarHBondContact O-N 2.78Å; L390-M398 HydrophobicContact CB-CE 4.08Å |
| 391 | K | 91.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 60.9 Ų | 60.9 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.2 | -30.9 | 176.1 | -75.1 | -174.9 | 153 | 177.1 | 0 | 114.1 | V387 I388 T389 M398 E407 | V387-K391 PolarHBondContact O-N 3.34Å; I388-K391 WeakPolarHBondContact O-CB 3.16Å; I388-K391 PolarHBondContact O-N 3.02Å; T389-K391 PolarHBondContact O-N 3.38Å; K391-M398 HydrophobicContact CG-CB 4.37Å; K391-M398 HydrophobicContact CG-CE 3.86Å; K391-E407 VanDerWaalsContact CE-CD 3.47Å; K391-E407 WeakPolarHBondContact CE-OE1 3.49Å; K391-E407 IonicContact NZ-OE1 2.6Å; K391-E407 PolarHBondContact NZ-OE1 3.1Å; K391-E407 IonicContact NZ-OE2 2.82Å; K391-E407 PolarHBondContact NZ-OE2 3.28Å |
| 392 | M | 90.3 | Very high | 93.5 | Very high | 172 Ų | 172 | 58.6 Ų | 58.6 | 85% | 0.847 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -84 | -18.9 | 179.8 | -60.7 | -177.8 | 65.1 | 0 | 0 | 112.4 | T389 L390 | T389-M392 PolarHBondContact O-N 3.04Å; T389-M392 VanDerWaalsContact O-N 3.08Å; L390-M392 PolarHBondContact O-N 2.87Å; L390-M392 VanDerWaalsContact O-N 3.16Å |
| 393 | E | 92.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -94.5 | -27.8 | -177.8 | -67.2 | 175.4 | -152.6 | 0 | 0 | 112.6 | S211 L212 R386 L390 | S211-E393 PolarHBondContact OG-OE2 3.08Å; L212-E393 HydrophobicContact CD2-CB 4.17Å; R386-E393 IonicContact CZ-OE1 2.66Å; R386-E393 IonicContact CZ-OE2 3.6Å; R386-E393 IonicContact NH1-OE1 2.98Å; R386-E393 PolarHBondContact NH1-OE1 3.48Å; R386-E393 IonicContact NH1-OE2 2.74Å; R386-E393 PolarHBondContact NH1-OE2 3.2Å; R386-E393 IonicContact NH2-OE1 2.69Å; R386-E393 IonicContact NH2-OE2 3.54Å; R386-E393 PolarHBondContact NH2-OE2 3.01Å; L390-E393 PolarHBondContact O-N 3.47Å |
| 394 | I | 93.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -75.6 | 139 | 180 | 59.6 | 172.8 | 0 | 0 | 0 | 111.1 | L212 W217 L390 G396 M398 | L212-I394 HydrophobicContact CD2-CG2 3.75Å; W217-I394 HydrophobicContact CD2-CG2 3.96Å; W217-I394 VanDerWaalsContact CE2-CG2 3.48Å; W217-I394 HydrophobicContact CG-CG2 4.26Å; W217-I394 HydrophobicContact CZ2-CD1 4.42Å; W217-I394 HydrophobicContact CZ2-CG2 3.83Å; L390-I394 WeakPolarHBondContact O-CG1 3.28Å; L390-I394 WeakPolarHBondContact O-CG2 3.2Å; L390-I394 PolarHBondContact O-N 2.78Å; I394-G396 WeakPolarHBondContact CD1-O 3.34Å; I394-G396 WeakPolarHBondContact CG1-O 3.37Å; I394-G396 PolarHBondContact O-N 3.47Å; I394-M398 HydrophobicContact CD1-CB 4.36Å; I394-M398 HydrophobicContact CD1-CE 4.33Å |
| 395 | P | 85.5 | Confident | 93.3 | Very high | 108 Ų | 108 | 63.3 Ų | 63.3 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -67.4 | -20.9 | 177.1 | -21.9 | 32.7 | 0 | 0 | 0 | 114.4 | I214 | I214-P395 HydrophobicContact CD1-CG 3.7Å; I214-P395 HydrophobicContact CG1-CG 4.27Å |
| 396 | G | 90 | Very high | 93.2 | Very high | 55 Ų | 55 | 58 Ų | 58 | 57% | 0.567 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -118.5 | -159.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I394 | I394-G396 WeakPolarHBondContact CD1-O 3.34Å; I394-G396 WeakPolarHBondContact CG1-O 3.37Å; I394-G396 PolarHBondContact O-N 3.47Å |
| 397 | S | 90.8 | Very high | 92.7 | Very high | 105 Ų | 105 | 59 Ų | 59 | 73% | 0.734 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 149.9 | 174.7 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 398 | M | 94.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 138.4 | 169.2 | -171.6 | 62.5 | 68.9 | 0 | 0 | 109.9 | W217 V387 L390 K391 I394 I402 Q403 | W217-M398 HydrophobicContact CH2-CE 4.08Å; W217-M398 HydrophobicContact CH2-SD 3.75Å; W217-M398 HydrophobicContact CZ2-CE 4.32Å; W217-M398 HydrophobicContact CZ2-SD 3.84Å; V387-M398 HydrophobicContact CG1-CE 4.14Å; L390-M398 HydrophobicContact CB-CE 4.08Å; K391-M398 HydrophobicContact CG-CB 4.37Å; K391-M398 HydrophobicContact CG-CE 3.86Å; I394-M398 HydrophobicContact CD1-CB 4.36Å; I394-M398 HydrophobicContact CD1-CE 4.33Å; M398-I402 HydrophobicContact CG-CB 4.23Å; M398-I402 HydrophobicContact CG-CG2 4.03Å; M398-I402 HydrophobicContact SD-CB 4.23Å; M398-I402 HydrophobicContact SD-CG2 3.63Å; M398-Q403 HydrophobicContact CB-CB 4.19Å; M398-Q403 HydrophobicContact CG-CB 3.89Å |
| 399 | P | 95.8 | Very high | 89.6 | Confident | 27 Ų | 27 | 64 Ų | 64 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 135.6 | 174.3 | -29.3 | 37.7 | 0 | 0 | 0 | 111.4 | L401 I402 Q403 | P399-L401 VanDerWaalsContact C-N 3.31Å; P399-L401 PolarHBondContact O-N 3.48Å; P399-L401 VanDerWaalsContact O-N 3.16Å; P399-I402 HydrophobicContact CB-CB 4.39Å; P399-I402 HydrophobicContact CB-CD1 4.06Å; P399-I402 HydrophobicContact CB-CG1 4.16Å; P399-I402 HydrophobicContact CG-CD1 3.97Å; P399-I402 WeakPolarHBondContact O-CB 3.49Å; P399-I402 PolarHBondContact O-N 3.42Å; P399-Q403 PolarHBondContact O-N 3.19Å |
| 400 | P | 95.2 | Very high | 87.5 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 68% | 0.682 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -55 | -42.7 | -168.4 | -28.7 | 34 | 0 | 0 | 0 | 114 | Q403 E404 | P400-Q403 PolarHBondContact O-N 2.83Å; P400-E404 VanDerWaalsContact O-CB 3.31Å; P400-E404 WeakPolarHBondContact O-CB 3.31Å; P400-E404 PolarHBondContact O-N 3.49Å |
| 401 | L | 96 | Very high | 84.9 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.1 | -35.2 | -178.8 | -175.1 | 63.4 | 0 | 0 | 0 | 112.6 | T225 I228 I229 P399 M405 | T225-L401 HydrophobicContact CG2-CB 4.28Å; T225-L401 HydrophobicContact CG2-CD2 3.97Å; I228-L401 HydrophobicContact CB-CD2 4.03Å; I228-L401 HydrophobicContact CB-CG 4.39Å; I228-L401 HydrophobicContact CG2-CD1 4.19Å; I228-L401 HydrophobicContact CG2-CD2 3.72Å; I228-L401 HydrophobicContact CG2-CG 3.79Å; I229-L401 HydrophobicContact CD1-CD2 4.29Å; I229-L401 HydrophobicContact CG1-CD2 3.64Å; P399-L401 VanDerWaalsContact C-N 3.31Å; P399-L401 PolarHBondContact O-N 3.48Å; P399-L401 VanDerWaalsContact O-N 3.16Å; L401-M405 HydrophobicContact CD1-CG 3.8Å; L401-M405 HydrophobicContact CG-CG 4.31Å; L401-M405 VanDerWaalsContact O-CB 3.23Å; L401-M405 WeakPolarHBondContact O-CB 3.48Å; L401-M405 VanDerWaalsContact O-CG 3.27Å; L401-M405 WeakPolarHBondContact O-CG 3.27Å; L401-M405 PolarHBondContact O-N 3.35Å |
| 402 | I | 95.9 | Very high | 82.1 | Confident | 8 Ų | 8 | 74.3 Ų | 74.3 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 175.4 | -64.7 | -177.4 | 0 | 0 | 0 | 109.1 | I228 M398 P399 L406 | I228-I402 HydrophobicContact CD1-CG1 3.9Å; M398-I402 HydrophobicContact CG-CB 4.23Å; M398-I402 HydrophobicContact CG-CG2 4.03Å; M398-I402 HydrophobicContact SD-CB 4.23Å; M398-I402 HydrophobicContact SD-CG2 3.63Å; P399-I402 HydrophobicContact CB-CB 4.39Å; P399-I402 HydrophobicContact CB-CD1 4.06Å; P399-I402 HydrophobicContact CB-CG1 4.16Å; P399-I402 HydrophobicContact CG-CD1 3.97Å; P399-I402 WeakPolarHBondContact O-CB 3.49Å; P399-I402 PolarHBondContact O-N 3.42Å; I402-L406 HydrophobicContact CG2-CD1 3.83Å; I402-L406 HydrophobicContact CG2-CG 4.48Å; I402-L406 VanDerWaalsContact O-CB 3.25Å; I402-L406 WeakPolarHBondContact O-CB 3.5Å; I402-L406 WeakPolarHBondContact O-CG 3.26Å; I402-L406 PolarHBondContact O-N 3Å |
| 403 | Q | 94.3 | Very high | 79.5 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 175.9 | 163.1 | 154.5 | 28.3 | 0 | 0 | 111.7 | M398 P399 P400 M405 E407 | M398-Q403 HydrophobicContact CB-CB 4.19Å; M398-Q403 HydrophobicContact CG-CB 3.89Å; P399-Q403 PolarHBondContact O-N 3.19Å; P400-Q403 PolarHBondContact O-N 2.83Å; Q403-M405 VanDerWaalsContact C-N 3.31Å; Q403-M405 PolarHBondContact O-N 2.96Å; Q403-E407 WeakPolarHBondContact CA-OE1 3.23Å; Q403-E407 VanDerWaalsContact CB-OE1 3.25Å; Q403-E407 WeakPolarHBondContact CB-OE1 3.46Å; Q403-E407 VanDerWaalsContact CG-CD 3.48Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.41Å; Q403-E407 WeakPolarHBondContact CG-OE2 3.41Å; Q403-E407 PolarHBondContact NE2-OE2 3.35Å; Q403-E407 VanDerWaalsContact O-CB 3.28Å; Q403-E407 WeakPolarHBondContact O-CB 3.44Å; Q403-E407 PolarHBondContact O-N 3.44Å; Q403-E407 VanDerWaalsContact O-N 3.15Å |
| 404 | E | 94.8 | Very high | 76.6 | Confident | 117 Ų | 117 | 78.6 Ų | 78.6 | 55% | 0.547 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | -177.5 | -175 | -178.2 | 165.9 | 0 | 0 | 113.2 | K254 P400 | K254-E404 WeakPolarHBondContact CE-O 3.41Å; K254-E404 PolarHBondContact NZ-O 3.28Å; P400-E404 VanDerWaalsContact O-CB 3.31Å; P400-E404 WeakPolarHBondContact O-CB 3.31Å; P400-E404 PolarHBondContact O-N 3.49Å |
| 405 | M | 95.4 | Very high | 73.7 | Confident | 18 Ų | 18 | 81.5 Ų | 81.5 | 9% | 0.089 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -91 | -30.1 | -174.1 | -70.4 | -58.8 | -55.2 | 0 | 0 | 114.3 | I228 L253 K254 C257 L401 Q403 | I228-M405 HydrophobicContact CG2-CB 4.34Å; I228-M405 HydrophobicContact CG2-CG 3.8Å; L253-M405 HydrophobicContact CB-CE 3.84Å; K254-M405 HydrophobicContact CG-CE 4.13Å; K254-M405 HydrophobicContact CG-SD 4.22Å; C257-M405 HydrophobicContact CB-CE 4.05Å; L401-M405 HydrophobicContact CD1-CG 3.8Å; L401-M405 HydrophobicContact CG-CG 4.31Å; L401-M405 VanDerWaalsContact O-CB 3.23Å; L401-M405 WeakPolarHBondContact O-CB 3.48Å; L401-M405 VanDerWaalsContact O-CG 3.27Å; L401-M405 WeakPolarHBondContact O-CG 3.27Å; L401-M405 PolarHBondContact O-N 3.35Å; Q403-M405 VanDerWaalsContact C-N 3.31Å; Q403-M405 PolarHBondContact O-N 2.96Å |
| 406 | L | 92.2 | Very high | 71.2 | Confident | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.079 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -115.3 | -9 | -168.6 | -50 | -177.3 | 0 | 0 | 0 | 113.9 | I228 C257 L258 L261 V387 I402 | I228-L406 HydrophobicContact CD1-CD1 4.44Å; C257-L406 HydrophobicContact CB-CD2 3.88Å; L258-L406 HydrophobicContact CB-CD2 4.24Å; L258-L406 HydrophobicContact CD1-CD1 3.92Å; L258-L406 HydrophobicContact CD1-CD2 3.98Å; L258-L406 HydrophobicContact CD1-CG 4.49Å; L261-L406 HydrophobicContact CD1-CD1 4.48Å; L261-L406 HydrophobicContact CD1-CD2 4.41Å; V387-L406 HydrophobicContact CG1-CB 4.42Å; V387-L406 HydrophobicContact CG2-CB 4.13Å; V387-L406 HydrophobicContact CG2-CD1 4.32Å; I402-L406 HydrophobicContact CG2-CD1 3.83Å; I402-L406 HydrophobicContact CG2-CG 4.48Å; I402-L406 VanDerWaalsContact O-CB 3.25Å; I402-L406 WeakPolarHBondContact O-CB 3.5Å; I402-L406 WeakPolarHBondContact O-CG 3.26Å; I402-L406 PolarHBondContact O-N 3Å |
| 407 | E | 84.9 | Confident | 68.6 | Low | 42 Ų | 42 | 84 Ų | 84 | 20% | 0.196 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -89.1 | 119.9 | 169.5 | -70.5 | 164.9 | -146.6 | 0 | 0 | 110.3 | V387 K391 Q403 S409 | V387-E407 HydrophobicContact CG1-CG 4.07Å; K391-E407 VanDerWaalsContact CE-CD 3.47Å; K391-E407 WeakPolarHBondContact CE-OE1 3.49Å; K391-E407 IonicContact NZ-OE1 2.6Å; K391-E407 PolarHBondContact NZ-OE1 3.1Å; K391-E407 IonicContact NZ-OE2 2.82Å; K391-E407 PolarHBondContact NZ-OE2 3.28Å; Q403-E407 WeakPolarHBondContact CA-OE1 3.23Å; Q403-E407 VanDerWaalsContact CB-OE1 3.25Å; Q403-E407 WeakPolarHBondContact CB-OE1 3.46Å; Q403-E407 VanDerWaalsContact CG-CD 3.48Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.41Å; Q403-E407 WeakPolarHBondContact CG-OE2 3.41Å; Q403-E407 PolarHBondContact NE2-OE2 3.35Å; Q403-E407 VanDerWaalsContact O-CB 3.28Å; Q403-E407 WeakPolarHBondContact O-CB 3.44Å; Q403-E407 PolarHBondContact O-N 3.44Å; Q403-E407 VanDerWaalsContact O-N 3.15Å; E407-S409 PolarHBondContact O-N 2.6Å; E407-S409 VanDerWaalsContact O-N 3.15Å |
| 408 | N | 68.6 | Low | 65.8 | Low | 117 Ų | 117 | 82.7 Ų | 82.7 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | trans | -66.5 | 114.6 | 169 | -65.1 | -5.2 | 0 | 0 | 0 | 107.9 | E410 | N408-E410 PolarHBondContact O-N 3.06Š| ||
| 409 | S | 53.9 | Low | 62.8 | Low | 104 Ų | 104 | 88 Ų | 88 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -64.3 | -3.9 | 171.8 | 33.6 | 0 | 0 | 0 | 0 | 113.5 | E407 G411 | E407-S409 PolarHBondContact O-N 2.6Å; E407-S409 VanDerWaalsContact O-N 3.15Å; S409-G411 PolarHBondContact O-N 3.31Å |
| 410 | E | 47.8 | Very low | 59.7 | Low | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -90.6 | 13.9 | -167.5 | -56.3 | -159.2 | 121.4 | 0 | 0 | 115.7 | N408 | N408-E410 PolarHBondContact O-N 3.06Š|
| 411 | G | 39.4 | Very low | 56.9 | Low | 67 Ų | 67 | 99.3 Ų | 99.3 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -111.4 | -14.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | S409 | S409-G411 PolarHBondContact O-N 3.31Š|
| 412 | L | 33.7 | Very low | 54 | Low | 166 Ų | 166 | 103.1 Ų | 103.1 | 87% | 0.869 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -126.9 | 9.6 | -162.4 | -140.2 | 77.6 | 0 | 0 | 0 | 116.8 | ||
| 413 | E | 34.5 | Very low | 50.9 | Low | 193 Ų | 193 | 106.5 Ų | 106.5 | 90% | 0.902 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -110.2 | 21.8 | 178 | -67.7 | -138.8 | 126.8 | 0 | 0 | 114.7 | ||
| 414 | S | 31.8 | Very low | 47.9 | Very low | 134 Ų | 134 | 107.9 Ų | 107.9 | 94% | 0.937 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -116 | 16.3 | 174.4 | -76.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 415 | G | 32 | Very low | 45.2 | Very low | 76 Ų | 76 | 108 Ų | 108 | 78% | 0.784 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -118.5 | -9.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 416 | A | 33.5 | Very low | 42.6 | Very low | 106 Ų | 106 | 113.6 Ų | 113.6 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -137.3 | 51.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 417 | A | 35.7 | Very low | 39.8 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -143.3 | 84.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 418 | G | 31.9 | Very low | 37.3 | Very low | 78 Ų | 78 | 120 Ų | 120 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -166 | 39.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 419 | S | 30.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -172.1 | 92.8 | 157.2 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 420 | R | 30.6 | Very low | 34.5 | Very low | 243 Ų | 243 | 120.9 Ų | 120.9 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -118.5 | 128 | 153.8 | -85 | -172.9 | 174.1 | -175.9 | -0.7 | 108 | ||||
| 421 | P | 37.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -79.4 | 141.8 | 173.5 | 32.4 | -30.5 | 0 | 0 | 0 | 110.4 | ||||
| 422 | S | 34.6 | Very low | 34.5 | Very low | 125 Ų | 125 | 122 Ų | 122 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -46 | 144.4 | 160.4 | -32.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 423 | G | 31.4 | Very low | 34.4 | Very low | 80 Ų | 80 | 121.9 Ų | 121.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | cis | 140.3 | 121.2 | 22.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 424 | A | 30.5 | Very low | 34.5 | Very low | 103 Ų | 103 | 118 Ų | 118 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -161 | 144.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 425 | P | 38.3 | Very low | 35.3 | Very low | 121 Ų | 121 | 117 Ų | 117 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -98.4 | 170.8 | -160.5 | 38.1 | -31.1 | 0 | 0 | 0 | 114.3 | ||||
| 426 | P | 41.5 | Very low | 35.4 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -88.7 | 139.2 | -171.9 | 34.5 | -30.7 | 0 | 0 | 0 | 112.6 | ||||
| 427 | G | 31.6 | Very low | 35.6 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -144.3 | 130.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | S | 33.6 | Very low | 35.6 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -64.2 | 147.4 | -175.1 | 49.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 429 | C | 30.3 | Very low | 35.7 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 86% | 0.858 | 81% | 0.814 | S | S | * | * | 165 | 130.3 | 125.5 | -86.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 430 | S | 33.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -76 | -166.9 | 173.8 | -43.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 431 | P | 55.5 | Low | 36.4 | Very low | 114 Ų | 114 | 117 Ų | 117 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | cis | -125.9 | 178.2 | -49.9 | 27.1 | -7.1 | 0 | 0 | 0 | 111.6 | ||||
| 432 | S | 30.6 | Very low | 37.1 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 151.7 | 150.8 | 119.6 | 64.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 433 | L | 32.8 | Very low | 37.6 | Very low | 163 Ų | 163 | 115 Ų | 115 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 87.2 | 94.7 | 157 | -52.9 | 179.1 | 0 | 0 | 0 | 120.2 | ||||
| 434 | S | 36.3 | Very low | 38.3 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -69.4 | 165.6 | 140.5 | -36.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 435 | P | 48.7 | Very low | 38.9 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | -150.9 | 152.2 | 74.6 | 35.5 | -14 | 0 | 0 | 0 | 118.3 | |||||
| 436 | S | 34.3 | Very low | 38.6 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 52.9 | 123.3 | 131.2 | -52 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 437 | S | 37.1 | Very low | 39.5 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | 169.4 | 111.9 | 123.5 | 32.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 438 | A | 35.2 | Very low | 39.8 | Very low | 91 Ų | 91 | 126.2 Ų | 126.2 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | 73.8 | 122.7 | 61.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 439 | Q | 35.1 | Very low | 40.2 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | 79 | 140.7 | 160.9 | -62.6 | 179.2 | -9.7 | 0 | 0 | 116.8 | ||||
| 440 | S | 34.9 | Very low | 40.7 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -177.8 | 141.8 | 0.9 | 38.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 441 | S | 40.9 | Very low | 41.1 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -69.2 | 163.7 | 161.3 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 442 | P | 53 | Low | 40.3 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | -142.6 | 165 | 109.7 | 34.8 | -19.4 | 0 | 0 | 0 | 114.4 | |||||
| 443 | A | 43.9 | Very low | 40.9 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | trans | -103.9 | 160.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 444 | T | 46.4 | Very low | 41.5 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | trans | 71.2 | 120 | 154 | 56 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 445 | Q | 42.8 | Very low | 41.9 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | -179.6 | 155.9 | 96.4 | -93.9 | -174.5 | 5.4 | 0 | 0 | 112.1 | |||||
| 446 | S | 32.3 | Very low | 41.3 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | trans | -66.8 | -177.8 | -166.1 | -38.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 447 | P | 59.5 | Low | 41.9 | Very low | 201 Ų | 201 | 132.1 Ų | 132.1 | 100% | 1.305 | 84% | 0.839 | S | S | * | * | -118.3 | 0 | 93 | 3.1 | 16.8 | 0 | 0 | 0 | 114.6 |
Retrieved 447 of 447 residues in 154.6 ms
(Link to these results)