| 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 | 37.6 | Very low | 36.5 | Very low | 246 Ų | 246 | 142.4 Ų | 142.4 | 100% | 1.212 | 88% | 0.878 | S | S | * | * | 0 | 136.3 | 0 | -82.7 | 174.9 | 158 | 0 | 0 | 108.3 | |||||
| 2 | S | 34.8 | Very low | 37.1 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 89% | 0.888 | 86% | 0.861 | S | S | * | * | trans | 67.2 | 91.8 | -178.2 | -73 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | A | 32 | Very low | 37.5 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 88% | 0.884 | 85% | 0.85 | S | S | * | * | trans | -83.4 | 131.4 | 151 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | A | 34.5 | Very low | 37.8 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -156.6 | 128.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 5 | N | 34.4 | Very low | 38.1 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | 59.8 | 106 | 149.4 | -80.5 | -2.1 | 0 | 0 | 0 | 122 | ||||
| 6 | R | 34.7 | Very low | 38.4 | Very low | 251 Ų | 251 | 137.9 Ų | 137.9 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -147.7 | 95.5 | 130.4 | -77.1 | -163.3 | -177.7 | -178.8 | -0.5 | 111.1 | ||||
| 7 | Q | 35.9 | Very low | 38.6 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | -150 | 120 | 157.8 | -103.3 | 172.8 | -3.5 | 0 | 0 | 107.1 | ||||
| 8 | G | 33.8 | Very low | 38.7 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 148.7 | 78.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 9 | S | 40.8 | Very low | 38.8 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -164.6 | 65.7 | 158.4 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | A | 41 | Very low | 38.7 | Very low | 80 Ų | 80 | 137 Ų | 137 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -149.6 | 10.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 11 | A | 42.3 | Very low | 38.7 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -113.6 | -0.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 12 | S | 43.3 | Very low | 38.7 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -105.2 | -9.7 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 13 | E | 42.7 | Very low | 38.8 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -92 | -24.4 | -179.9 | -75.1 | 179.3 | 155 | 0 | 0 | 113.4 | ||
| 14 | N | 41.5 | Very low | 39 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -81 | -12.2 | 179.9 | -77.3 | -22.6 | 0 | 0 | 0 | 114.6 | ||
| 15 | H | 41.7 | Very low | 39.2 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -88.6 | -12.7 | -178.5 | -156.7 | 63.3 | 0 | 0 | 0 | 114.1 | ||
| 16 | N | 43.2 | Very low | 38.8 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -100.1 | -13.8 | 178.4 | -94.1 | -2.7 | 0 | 0 | 0 | 114.4 | ||
| 17 | Q | 42.8 | Very low | 38.6 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 64% | 0.64 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -84.4 | -25.8 | 176 | -75.8 | -176.5 | -21 | 0 | 0 | 113.3 | N19 | Q17-N19 PolarHBondContact O-N 3.32Å |
| 18 | E | 39 | Very low | 38.5 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -19.2 | -176.4 | -148.3 | 171.7 | -177.8 | 0 | 0 | 113.7 | T22 | E18-T22 PolarHBondContact O-OG1 3.01Š|
| 19 | N | 42 | Very low | 38.3 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -9.9 | 177.1 | -99.5 | -23.9 | 0 | 0 | 0 | 114.5 | Q17 | Q17-N19 PolarHBondContact O-N 3.32Š|
| 20 | M | 36.8 | Very low | 37.7 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -32.2 | 175.1 | -110.6 | -152.5 | -67.6 | 0 | 0 | 112.7 | ||
| 21 | L | 38.5 | Very low | 37 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -15.6 | -176.3 | -71.6 | 168.9 | 0 | 0 | 0 | 114.2 | ||
| 22 | T | 36.6 | Very low | 36.4 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 61% | 0.613 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -13.1 | 177.3 | 19.5 | 0 | 0 | 0 | 0 | 114 | E18 | E18-T22 PolarHBondContact O-OG1 3.01Š|
| 23 | R | 38.2 | Very low | 36.1 | Very low | 231 Ų | 231 | 148.2 Ų | 148.2 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -89.6 | -13 | 172.9 | -74 | -172.9 | 177.2 | -176.6 | 0.3 | 114.2 | ||
| 24 | L | 35.8 | Very low | 35.4 | Very low | 148 Ų | 148 | 145 Ų | 145 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -98.7 | -0.5 | 179.5 | -93.2 | 137.2 | 0 | 0 | 0 | 114.4 | ||
| 25 | R | 37.8 | Very low | 35.2 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -117.3 | 77.8 | 172.8 | -81 | -175.9 | -178.4 | 174.3 | 2.4 | 110.8 | ||||
| 26 | G | 27.4 | Very low | 34.9 | Very low | 70 Ų | 70 | 149.2 Ų | 149.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -142.6 | 98.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 27 | S | 30.1 | Very low | 34.6 | Very low | 114 Ų | 114 | 150 Ų | 150 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 81.8 | 63 | 168.8 | -146.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 28 | L | 32.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 94% | 0.942 | 79% | 0.786 | S | S | * | * | trans | -88.6 | 106.1 | 140.5 | -86.1 | 159.2 | 0 | 0 | 0 | 107.9 | ||||
| 29 | K | 31.2 | Very low | 34.2 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -128.4 | 114.6 | 160.7 | -90.8 | -174.3 | 176.6 | 179.7 | 0 | 109.5 | ||||
| 30 | H | 27.5 | Very low | 33.9 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | 44.7 | 93.2 | 160.1 | -71.1 | -74.8 | 0 | 0 | 0 | 119.3 | A32 | H30-A32 PolarHBondContact O-N 2.84Š| ||
| 31 | R | 27.3 | Very low | 34 | Very low | 262 Ų | 262 | 152.9 Ų | 152.9 | 99% | 0.989 | 80% | 0.801 | S | S | * | * | trans | -89.1 | 87.4 | 152.8 | -164.9 | 173 | -172.8 | 163.1 | 0.7 | 108.3 | ||||
| 32 | A | 28.3 | Very low | 34.2 | Very low | 85 Ų | 85 | 151.7 Ų | 151.7 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | -90.5 | 137.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | H30 | H30-A32 PolarHBondContact O-N 2.84Š| ||
| 33 | A | 36.9 | Very low | 34.7 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | trans | -9.9 | 120.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 34 | A | 28.8 | Very low | 35.1 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -154.4 | 93 | 146.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | E36 | A34-E36 VanDerWaalsContact C-N 3.35Å; A34-E36 PolarHBondContact O-N 3.16Å | ||
| 35 | N | 38 | Very low | 35.1 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 95% | 0.952 | 78% | 0.784 | S | S | * | * | trans | -85.4 | 85.9 | 164.9 | -150.4 | 27.8 | 0 | 0 | 0 | 104.7 | ||||
| 36 | E | 34.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -119.5 | 133.6 | 174.9 | -74.6 | -166.6 | 162.2 | 0 | 0 | 110 | A34 L38 | A34-E36 VanDerWaalsContact C-N 3.35Å; A34-E36 PolarHBondContact O-N 3.16Å; E36-L38 PolarHBondContact O-N 3.44Å | ||
| 37 | N | 36 | Very low | 36 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -44.1 | 118.9 | -175.2 | -68.8 | -52.6 | 0 | 0 | 0 | 113.8 | E39 | N37-E39 PolarHBondContact O-N 2.78Š| ||
| 38 | L | 38.9 | Very low | 36.8 | Very low | 146 Ų | 146 | 144 Ų | 144 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -78.3 | 10.3 | 171.8 | -78.3 | 163.7 | 0 | 0 | 0 | 113.7 | E36 N40 L41 | E36-L38 PolarHBondContact O-N 3.44Å; L38-N40 PolarHBondContact O-N 3.06Å; L38-L41 HydrophobicContact CD2-CD1 3.63Å; L38-L41 HydrophobicContact CD2-CG 4.47Å | ||
| 39 | E | 35.1 | Very low | 38.3 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 0.2 | -176.7 | -86.5 | -174.6 | 154.6 | 0 | 0 | 115.4 | N37 | N37-E39 PolarHBondContact O-N 2.78Š|
| 40 | N | 36.7 | Very low | 40.1 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.3 | 50.5 | -176.6 | -70.5 | -61.8 | 0 | 0 | 0 | 113.6 | L38 | L38-N40 PolarHBondContact O-N 3.06Š|
| 41 | L | 38.6 | Very low | 41.9 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 130.1 | 165 | -74.2 | 171.6 | 0 | 0 | 0 | 109.8 | L38 | L38-L41 HydrophobicContact CD2-CD1 3.63Å; L38-L41 HydrophobicContact CD2-CG 4.47Å |
| 42 | P | 41 | Very low | 44.3 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 69% | 0.688 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 148.3 | 174.5 | 27.1 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 43 | P | 48.8 | Very low | 46.4 | Very low | 32 Ų | 32 | 111.1 Ų | 111.1 | 21% | 0.208 | 63% | 0.628 | C | S | . | * | P | Polyproline II helix | trans | -56.4 | 146.6 | 178.5 | 22.6 | -33 | 0 | 0 | 0 | 111.4 | Q45 E277 Y280 | P43-Q45 PolarHBondContact O-N 3.45Å; P43-E277 WeakPolarHBondContact CB-OE1 3.28Å; P43-Y280 HydrophobicContact CB-CD1 4.07Å; P43-Y280 HydrophobicContact CB-CD2 4.37Å; P43-Y280 HydrophobicContact CB-CG 3.99Å; P43-Y280 HydrophobicContact CG-CD1 3.99Å; P43-Y280 HydrophobicContact CG-CD2 3.45Å; P43-Y280 VanDerWaalsContact CG-CD2 3.45Å; P43-Y280 HydrophobicContact CG-CE2 4.03Å; P43-Y280 HydrophobicContact CG-CG 3.41Å; P43-Y280 VanDerWaalsContact CG-CG 3.41Å |
| 44 | K | 46.2 | Very low | 47.9 | Very low | 192 Ų | 192 | 110.2 Ų | 110.2 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.4 | 178.7 | -80 | 178.9 | 178.3 | 172.9 | 0 | 109.5 | V46 | K44-V46 PolarHBondContact O-N 3.29Š|
| 45 | Q | 36.4 | Very low | 49.8 | Very low | 183 Ų | 183 | 107.1 Ų | 107.1 | 86% | 0.855 | 59% | 0.592 | S | S | * | * | trans | -68 | 114.2 | 179.5 | -69.8 | 178.3 | -6.5 | 0 | 0 | 110.9 | P43 | P43-Q45 PolarHBondContact O-N 3.45Š| ||
| 46 | V | 41.4 | Very low | 50.8 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | trans | -103.2 | 142 | 168.4 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | K44 N48 | K44-V46 PolarHBondContact O-N 3.29Å; V46-N48 VanDerWaalsContact C-N 3.25Å; V46-N48 PolarHBondContact O-N 3.26Å | ||
| 47 | A | 41.5 | Very low | 51 | Low | 95 Ų | 95 | 102.2 Ų | 102.2 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -72.5 | 3.8 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 48 | N | 47.8 | Very low | 51.1 | Low | 146 Ų | 146 | 101.2 Ų | 101.2 | 78% | 0.781 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -154.3 | 103.6 | 171.8 | -77.5 | -45 | 0 | 0 | 0 | 109.6 | V46 | V46-N48 VanDerWaalsContact C-N 3.25Å; V46-N48 PolarHBondContact O-N 3.26Å |
| 49 | R | 62.4 | Low | 50.7 | Low | 61 Ų | 61 | 102.7 Ų | 102.7 | 23% | 0.23 | 56% | 0.563 | C | S | . | * | trans | -76.8 | 131.8 | 178.9 | -175 | -172.9 | -174.1 | 160.1 | 13.7 | 110.3 | V51 V279 Y280 I281 D283 D284 | R49-V51 HydrophobicContact CB-CG2 4.04Å; R49-V51 VanDerWaalsContact CD-CG2 3.45Å; R49-V51 HydrophobicContact CG-CG2 3.57Å; R49-V51 PolarHBondContact O-N 3Å; R49-V279 PolarHBondContact NH2-O 3.27Å; R49-Y280 PolarHBondContact NE-O 3.34Å; R49-Y280 PolarHBondContact NH2-O 2.67Å; R49-I281 HydrophobicContact CG-CD1 4.46Å; R49-D283 IonicContact CZ-OD1 3.08Å; R49-D283 IonicContact NE-OD1 3.84Å; R49-D283 VanDerWaalsContact NH1-CA 3.33Å; R49-D283 IonicContact NH1-OD1 2.76Å; R49-D283 PolarHBondContact NH1-OD1 3.19Å; R49-D284 IonicContact CZ-OD2 2.66Å; R49-D284 IonicContact NH1-OD2 2.94Å; R49-D284 PolarHBondContact NH1-OD2 3.23Å; R49-D284 IonicContact NH2-OD2 3.8Å; R49-D284 PolarHBondContact NH2-OD2 2.95Å | ||
| 50 | T | 70.3 | Confident | 50.5 | Low | 25 Ų | 25 | 105.9 Ų | 105.9 | 15% | 0.153 | 57% | 0.568 | C | S | . | * | trans | -78.4 | 87.3 | 175 | -45.2 | 0 | 0 | 0 | 0 | 110.7 | W217 E220 | T50-W217 PolarHBondContact O-NE1 2.96Å; T50-E220 HydrophobicContact CG2-CB 3.35Å; T50-E220 VanDerWaalsContact CG2-CD 3.42Å; T50-E220 HydrophobicContact CG2-CG 3.95Å; T50-E220 WeakPolarHBondContact CG2-OE2 3.2Å | ||
| 51 | V | 65.2 | Low | 50.1 | Low | 54 Ų | 54 | 103.5 Ų | 103.5 | 33% | 0.327 | 56% | 0.563 | S | S | . | * | trans | -99.1 | 127.9 | -176.8 | 176 | 0 | 0 | 0 | 0 | 111.2 | R49 G53 D283 | R49-V51 HydrophobicContact CB-CG2 4.04Å; R49-V51 VanDerWaalsContact CD-CG2 3.45Å; R49-V51 HydrophobicContact CG-CG2 3.57Å; R49-V51 PolarHBondContact O-N 3Å; V51-G53 PolarHBondContact O-N 3.46Å; V51-D283 HydrophobicContact CB-CB 4.24Å; V51-D283 HydrophobicContact CG1-CB 3.49Å; V51-D283 VanDerWaalsContact CG1-CB 3.49Å; V51-D283 HydrophobicContact CG2-CB 3.68Å | ||
| 52 | L | 77.2 | Confident | 49.6 | Very low | 18 Ų | 18 | 106.6 Ų | 106.6 | 9% | 0.094 | 57% | 0.571 | C | S | . | * | trans | -75.5 | 113.7 | 166.3 | -162.6 | 64.8 | 0 | 0 | 0 | 110 | L55 I213 L214 W217 Q254 | L52-L55 HydrophobicContact CD2-CD2 4.39Å; L52-I213 HydrophobicContact CD1-CG2 3.41Å; L52-I213 VanDerWaalsContact CD1-CG2 3.41Å; L52-I213 HydrophobicContact CG-CG2 4.4Å; L52-L214 HydrophobicContact CD2-CD1 4Å; L52-W217 HydrophobicContact CB-CB 4.41Å; L52-W217 HydrophobicContact CB-CD2 3.94Å; L52-W217 HydrophobicContact CB-CG 3.79Å; L52-W217 HydrophobicContact CD1-CB 3.58Å; L52-W217 HydrophobicContact CD1-CG 3.91Å; L52-W217 HydrophobicContact CD2-CB 4.47Å; L52-W217 HydrophobicContact CD2-CD2 4.42Å; L52-W217 HydrophobicContact CD2-CE3 4.43Å; L52-W217 HydrophobicContact CD2-CG 4.44Å; L52-W217 HydrophobicContact CG-CB 4.36Å; L52-W217 HydrophobicContact CG-CG 4.25Å; L52-Q254 HydrophobicContact CB-CG 4.36Å; L52-Q254 VanDerWaalsContact CB-NE2 3.33Å; L52-Q254 HydrophobicContact CD2-CB 4.09Å; L52-Q254 HydrophobicContact CD2-CG 3.94Å | ||
| 53 | G | 73.2 | Confident | 48.8 | Very low | 52 Ų | 52 | 108.3 Ų | 108.3 | 54% | 0.536 | 58% | 0.579 | S | S | . | * | trans | -68 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V51 L55 | V51-G53 PolarHBondContact O-N 3.46Å; G53-L55 PolarHBondContact O-N 3.13Å | ||
| 54 | A | 68 | Low | 47.8 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | trans | -59.4 | 124.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q56 | A54-Q56 PolarHBondContact O-N 3.1Š| ||
| 55 | L | 68.9 | Low | 46.8 | Very low | 21 Ų | 21 | 113.5 Ų | 113.5 | 11% | 0.11 | 61% | 0.609 | C | S | . | * | trans | -68.9 | 93.7 | 177.5 | -65.3 | 174.6 | 0 | 0 | 0 | 110.8 | L52 G53 M210 I213 R250 L253 | L52-L55 HydrophobicContact CD2-CD2 4.39Å; G53-L55 PolarHBondContact O-N 3.13Å; L55-M210 HydrophobicContact CB-CG 4.36Å; L55-M210 HydrophobicContact CD1-CB 4.38Å; L55-I213 HydrophobicContact CD2-CB 4.05Å; L55-I213 HydrophobicContact CD2-CD1 4.31Å; L55-I213 HydrophobicContact CD2-CG2 3.55Å; L55-R250 WeakPolarHBondContact O-CD 3.45Å; L55-L253 HydrophobicContact CD1-CB 3.96Å; L55-L253 HydrophobicContact CD1-CD2 3.79Å; L55-L253 HydrophobicContact CD1-CG 4.21Å | ||
| 56 | Q | 59.3 | Low | 46.4 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | trans | -98.5 | 153.7 | 172.5 | -64.7 | -176.1 | 0.7 | 0 | 0 | 111.2 | A54 N58 | A54-Q56 PolarHBondContact O-N 3.1Å; Q56-N58 PolarHBondContact O-N 2.74Å; Q56-N58 VanDerWaalsContact O-N 3.09Å | ||
| 57 | N | 38.9 | Very low | 45.6 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 54% | 0.54 | 63% | 0.633 | S | S | . | * | trans | -68.8 | 108.2 | 171.9 | -74.5 | 9.6 | 0 | 0 | 0 | 108.7 | H59 M210 R250 | N57-H59 VanDerWaalsContact C-N 3.27Å; N57-H59 PolarHBondContact O-N 3.33Å; N57-M210 WeakPolarHBondContact OD1-CE 3.3Å; N57-R250 PolarHBondContact OD1-NH1 3.31Å | ||
| 58 | N | 37.1 | Very low | 44.7 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | trans | -71.1 | 81.7 | 172.3 | -91.6 | -20.5 | 0 | 0 | 0 | 110.6 | Q56 R60 | Q56-N58 PolarHBondContact O-N 2.74Å; Q56-N58 VanDerWaalsContact O-N 3.09Å; N58-R60 VanDerWaalsContact C-N 3.33Å; N58-R60 PolarHBondContact O-N 3.14Å | ||
| 59 | H | 31.5 | Very low | 43.5 | Very low | 176 Ų | 176 | 121.1 Ų | 121.1 | 82% | 0.815 | 63% | 0.634 | S | S | * | * | trans | -89.3 | 79.8 | 148.6 | -83.3 | -14.4 | 0 | 0 | 0 | 108.3 | N57 S61 | N57-H59 VanDerWaalsContact C-N 3.27Å; N57-H59 PolarHBondContact O-N 3.33Å; H59-S61 PolarHBondContact O-N 3.01Å | ||
| 60 | R | 29.5 | Very low | 41.8 | Very low | 234 Ų | 234 | 127.5 Ų | 127.5 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -77.5 | 72.8 | 167.7 | -154.9 | 177.2 | -170.8 | -177 | 3.7 | 108.4 | N58 K62 | N58-R60 VanDerWaalsContact C-N 3.33Å; N58-R60 PolarHBondContact O-N 3.14Å; R60-K62 PolarHBondContact O-N 3.35Å | ||
| 61 | S | 28.7 | Very low | 39.6 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | -66.3 | 114.3 | 167.1 | -58.1 | 0 | 0 | 0 | 0 | 107.7 | H59 V63 | H59-S61 PolarHBondContact O-N 3.01Å; S61-V63 PolarHBondContact O-N 2.9Å; S61-V63 VanDerWaalsContact O-N 3.12Å | ||
| 62 | K | 28.1 | Very low | 37.5 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | trans | -52.3 | 117.8 | 170.5 | -75.4 | 178.1 | 175.9 | 177.1 | 0 | 108.6 | R60 Q64 | R60-K62 PolarHBondContact O-N 3.35Å; K62-Q64 PolarHBondContact O-N 2.63Å | ||
| 63 | V | 24.6 | Very low | 34.9 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -66.7 | 112.8 | 166 | 175.5 | 0 | 0 | 0 | 0 | 106.9 | S61 | S61-V63 PolarHBondContact O-N 2.9Å; S61-V63 VanDerWaalsContact O-N 3.12Å | ||
| 64 | Q | 27.9 | Very low | 32.5 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -126.7 | 121.3 | 162.7 | -147.3 | 169.4 | 12.2 | 0 | 0 | 108.3 | K62 | K62-Q64 PolarHBondContact O-N 2.63Š| ||
| 65 | N | 24.1 | Very low | 30.4 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -47.1 | 133.9 | 175.8 | -79.5 | -34.7 | 0 | 0 | 0 | 112.2 | ||||
| 66 | Q | 28.4 | Very low | 28.8 | Very low | 199 Ų | 199 | 157.4 Ų | 157.4 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -155.4 | 124.9 | 138.3 | -109.3 | 170.3 | 79.1 | 0 | 0 | 111.1 | ||||
| 67 | R | 24 | Very low | 27.1 | Very low | 257 Ų | 257 | 160.3 Ų | 160.3 | 97% | 0.97 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 142.9 | 168.2 | -80.4 | 172.4 | 163.4 | 172.5 | -5.5 | 109.5 | ||||
| 68 | G | 23.1 | Very low | 26.2 | Very low | 65 Ų | 65 | 163.6 Ų | 163.6 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | 150.9 | 100.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 69 | V | 24.1 | Very low | 25.5 | Very low | 150 Ų | 150 | 163.9 Ų | 163.9 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | 73.6 | 124.8 | 139 | -167.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 70 | K | 24.8 | Very low | 25.1 | Very low | 196 Ų | 196 | 163.1 Ų | 163.1 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | trans | -62.1 | 143.6 | 167.5 | -73.7 | 173.3 | 167.4 | -179.4 | 0 | 112.4 | ||||
| 71 | Q | 25.5 | Very low | 24.8 | Very low | 202 Ų | 202 | 159.9 Ų | 159.9 | 94% | 0.944 | 83% | 0.826 | S | S | * | * | -165.9 | 146.8 | 128.6 | -113.2 | 172.2 | 5.3 | 0 | 0 | 112.9 | |||||
| 72 | E | 21.1 | Very low | 24.6 | Very low | 184 Ų | 184 | 163.3 Ų | 163.3 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -77 | 163.1 | 179.2 | -72.1 | 169.1 | 128.6 | 0 | 0 | 113.7 | ||||
| 73 | S | 22.1 | Very low | 24.5 | Very low | 111 Ų | 111 | 160 Ų | 160 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 110.3 | 144.2 | 137.3 | 81.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 74 | S | 23.8 | Very low | 24.5 | Very low | 116 Ų | 116 | 160 Ų | 160 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | 88.5 | 105.6 | 160.5 | 64 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 75 | Q | 22.2 | Very low | 24.4 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -56 | -177.4 | 146.8 | -87.7 | -172.2 | -13.6 | 0 | 0 | 112.5 | ||||
| 76 | P | 36.6 | Very low | 24.5 | Very low | 91 Ų | 91 | 158.2 Ų | 158.2 | 59% | 0.591 | 81% | 0.813 | S | S | * | * | cis | -132 | -174.8 | -13 | 20.7 | 4.3 | 0 | 0 | 0 | 111.4 | ||||
| 77 | F | 22.1 | Very low | 24.4 | Very low | 205 Ų | 205 | 155.2 Ų | 155.2 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | -171.9 | 125.4 | 123.6 | -100.6 | -71.1 | 0 | 0 | 0 | 112.2 | |||||
| 78 | F | 21.5 | Very low | 24.3 | Very low | 170 Ų | 170 | 150 Ų | 150 | 75% | 0.746 | 79% | 0.793 | S | S | * | * | trans | -79.6 | 149.6 | 168.1 | -115.7 | -97.7 | 0 | 0 | 0 | 109.8 | K80 | F78-K80 HydrophobicContact CD1-CG 4.04Å; F78-K80 HydrophobicContact CE1-CG 4.18Å | ||
| 79 | C | 22.7 | Very low | 24.5 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -143.7 | 117.5 | 145.3 | -147.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 80 | K | 22.1 | Very low | 24.4 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | -86.7 | 152.9 | 168.6 | -70.9 | 178.7 | 172.7 | -175.3 | 0 | 108.6 | F78 | F78-K80 HydrophobicContact CD1-CG 4.04Å; F78-K80 HydrophobicContact CE1-CG 4.18Å | ||
| 81 | N | 23.8 | Very low | 24.4 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -154.7 | 112.7 | 137.7 | -93.5 | -15.6 | 0 | 0 | 0 | 109.7 | ||||
| 82 | E | 24.1 | Very low | 24.5 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -79.6 | 165 | 149 | -74.2 | -175.4 | 152.3 | 0 | 0 | 107.2 | ||||
| 83 | D | 25.1 | Very low | 24.9 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -174 | 156 | 6.8 | -118.1 | -24.6 | 0 | 0 | 0 | 105.8 | ||||
| 84 | V | 26.5 | Very low | 25.2 | Very low | 139 Ų | 139 | 151 Ų | 151 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -166.1 | 105.2 | 137 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 85 | A | 25.3 | Very low | 25.6 | Very low | 76 Ų | 76 | 155.6 Ų | 155.6 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | trans | 13.5 | 149.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 86 | R | 25.8 | Very low | 26.2 | Very low | 222 Ų | 222 | 155.5 Ų | 155.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | cis | -173.5 | 141.5 | 10.3 | -106.5 | 170.7 | -174.2 | -178 | 3.1 | 110.7 | ||||
| 87 | I | 25.4 | Very low | 26.1 | Very low | 135 Ų | 135 | 157.1 Ų | 157.1 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | 65.8 | 117.9 | 133.9 | -54.5 | 165.1 | 0 | 0 | 0 | 121.9 | ||||
| 88 | N | 22.5 | Very low | 26.6 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | -170.6 | 125.9 | 113.9 | -111.8 | -12.7 | 0 | 0 | 0 | 115.7 | |||||
| 89 | V | 27 | Very low | 27.5 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 60.8 | 121.5 | 146.1 | -165.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 90 | E | 22.6 | Very low | 28.6 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 144.5 | 177.9 | -65.1 | 170.1 | 123.3 | 0 | 0 | 116 | ||||
| 91 | R | 25 | Very low | 29.9 | Very low | 235 Ų | 235 | 146 Ų | 146 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -147.6 | 141.8 | 138.9 | -104.3 | -178.7 | -175.5 | 174.5 | 1.9 | 108.2 | ||||
| 92 | P | 27.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -79.2 | 138.5 | -167.1 | 31.6 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 93 | P | 28.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | -81.2 | 129.3 | 164.6 | 31.5 | -28.2 | 0 | 0 | 0 | 109.4 | K95 | P93-K95 PolarHBondContact O-N 3.26Š| ||
| 94 | T | 29.8 | Very low | 33.1 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | trans | -40.3 | 124.6 | 165.2 | 33 | 0 | 0 | 0 | 0 | 112.3 | Q96 | T94-Q96 PolarHBondContact O-N 3.17Å; T94-Q96 VanDerWaalsContact O-N 3.16Å | ||
| 95 | K | 31.2 | Very low | 34 | Very low | 212 Ų | 212 | 136.8 Ų | 136.8 | 92% | 0.922 | 71% | 0.713 | S | S | * | * | trans | -51.8 | 114.4 | 173.2 | -73.4 | 174.8 | 174.9 | 177.7 | 0 | 110.5 | P93 | P93-K95 PolarHBondContact O-N 3.26Š| ||
| 96 | Q | 33.8 | Very low | 34.7 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -77 | 141.9 | 161.7 | -66 | -176.3 | -5.6 | 0 | 0 | 108.6 | T94 A98 | T94-Q96 PolarHBondContact O-N 3.17Å; T94-Q96 VanDerWaalsContact O-N 3.16Å; Q96-A98 PolarHBondContact O-N 3.08Å |
| 97 | P | 35 | Very low | 35.2 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 132.6 | -176.5 | 27.1 | -31.3 | 0 | 0 | 0 | 110.6 | ||
| 98 | A | 34 | Very low | 35.6 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 146.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q96 Q100 | Q96-A98 PolarHBondContact O-N 3.08Å; A98-Q100 PolarHBondContact O-N 2.63Å |
| 99 | F | 38.6 | Very low | 36 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 42% | 0.421 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -55 | 118.7 | 174.1 | -74.4 | -87.6 | 0 | 0 | 0 | 110.1 | I101 K202 | F99-I101 PolarHBondContact O-N 2.89Å; F99-K202 HydrophobicContact CE1-CB 4.45Å; F99-K202 HydrophobicContact CE1-CD 4.06Å; F99-K202 HydrophobicContact CE2-CD 3.79Å; F99-K202 HydrophobicContact CZ-CB 4.24Å; F99-K202 HydrophobicContact CZ-CD 3.27Å; F99-K202 HydrophobicContact CZ-CG 4.37Å |
| 100 | Q | 46.1 | Very low | 36.3 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | -79.2 | 113.2 | 179.8 | -162.3 | 168.5 | 4.8 | 0 | 0 | 108.6 | A98 H102 | A98-Q100 PolarHBondContact O-N 2.63Å; Q100-H102 PolarHBondContact O-N 3.44Å | ||
| 101 | I | 50.8 | Low | 36.6 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 49% | 0.487 | 71% | 0.707 | S | S | . | * | B | Isolated β-bridge | trans | -75.2 | 116.1 | 168.4 | -60.8 | 173.1 | 0 | 0 | 0 | 106.2 | F99 V103 | F99-I101 PolarHBondContact O-N 2.89Å; I101-V103 HydrophobicContact CG2-CG2 4.23Å; I101-V103 PolarHBondContact O-N 3.21Å |
| 102 | H | 49 | Very low | 36.8 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 35% | 0.347 | 71% | 0.706 | S | S | . | * | trans | -73.4 | 117.3 | 175 | -179 | 72.5 | 0 | 0 | 0 | 109.5 | Q100 D104 M246 | Q100-H102 PolarHBondContact O-N 3.44Å; H102-D104 IonicContact CD2-OD1 2.81Å; H102-D104 IonicContact CE1-OD1 3.3Å; H102-D104 IonicContact NE2-OD1 2.73Å; H102-D104 PolarHBondContact NE2-OD1 3.35Å; H102-M246 HydrophobicContact CB-CE 4.24Å | ||
| 103 | V | 50.9 | Low | 36.9 | Very low | 117 Ų | 117 | 128 Ų | 128 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | trans | -114 | 123 | 171.5 | -177.8 | 0 | 0 | 0 | 0 | 106.5 | I101 E105 | I101-V103 HydrophobicContact CG2-CG2 4.23Å; I101-V103 PolarHBondContact O-N 3.21Å; V103-E105 PolarHBondContact O-N 3.37Å | ||
| 104 | D | 40 | Very low | 36.8 | Very low | 55 Ų | 55 | 127 Ų | 127 | 29% | 0.294 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 133 | 174 | -73.5 | -33.5 | 0 | 0 | 0 | 109.5 | H102 K252 | H102-D104 IonicContact CD2-OD1 2.81Å; H102-D104 IonicContact CE1-OD1 3.3Å; H102-D104 IonicContact NE2-OD1 2.73Å; H102-D104 PolarHBondContact NE2-OD1 3.35Å; D104-K252 WeakPolarHBondContact OD2-CE 3.35Å; D104-K252 IonicContact OD2-NZ 3.79Å; D104-K252 PolarHBondContact OD2-NZ 3.37Å |
| 105 | E | 44.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 128.4 | 166.8 | -166.3 | 169.1 | -177.8 | 0 | 0 | 108.8 | V103 D107 | V103-E105 PolarHBondContact O-N 3.37Å; E105-D107 PolarHBondContact O-N 3.01Å |
| 106 | P | 41 | Very low | 36.5 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.4 | -177.4 | 25.7 | -32.2 | 0 | 0 | 0 | 110.4 | A108 | P106-A108 PolarHBondContact O-N 3.34Å; P106-A108 VanDerWaalsContact O-N 3.12Å |
| 107 | D | 35 | Very low | 36.3 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 57% | 0.572 | 71% | 0.712 | S | S | * | * | trans | -64.9 | 111.1 | 169.1 | -98.5 | -19.2 | 0 | 0 | 0 | 108 | E105 A109 K289 R293 | E105-D107 PolarHBondContact O-N 3.01Å; D107-A109 PolarHBondContact O-N 2.96Å; D107-K289 IonicContact OD1-NZ 3.75Å; D107-K289 PolarHBondContact OD1-NZ 3.32Å; D107-K289 IonicContact OD2-NZ 2.86Å; D107-K289 PolarHBondContact OD2-NZ 3.31Å; D107-R293 IonicContact OD1-NH2 3.45Å | ||
| 108 | A | 34.4 | Very low | 35.9 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -64.6 | 122.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | P106 | P106-A108 PolarHBondContact O-N 3.34Å; P106-A108 VanDerWaalsContact O-N 3.12Å | ||
| 109 | A | 31.2 | Very low | 35.7 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 72% | 0.719 | S | S | * | * | trans | -66.3 | 147.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D107 T111 | D107-A109 PolarHBondContact O-N 2.96Å; A109-T111 PolarHBondContact O-N 3.27Å; A109-T111 VanDerWaalsContact O-N 3.14Å | ||
| 110 | P | 32.6 | Very low | 35.1 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | -70.6 | 114 | -178.2 | 29.4 | -32.8 | 0 | 0 | 0 | 109.4 | ||||
| 111 | T | 28.9 | Very low | 34.4 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 135.4 | 173.6 | -42.8 | 0 | 0 | 0 | 0 | 108.9 | A109 | A109-T111 PolarHBondContact O-N 3.27Å; A109-T111 VanDerWaalsContact O-N 3.14Å |
| 112 | K | 30.9 | Very low | 33.2 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 144.6 | -175.7 | -67.2 | 174.4 | 174.4 | 178.1 | 0 | 113.4 | ||
| 113 | E | 27.8 | Very low | 32.3 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 133.2 | 173.2 | -66.4 | 176.7 | 145.5 | 0 | 0 | 112.7 | ||
| 114 | A | 27 | Very low | 31.1 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -139.4 | 116.4 | 156 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 115 | E | 27.8 | Very low | 30.5 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | 3.7 | 123.4 | 164.6 | -62.4 | 179 | 150.7 | 0 | 0 | 119.7 | ||||
| 116 | A | 27.7 | Very low | 29.7 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -130.2 | 109.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 117 | S | 28.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 4 | 127 | 146.6 | 14 | 0 | 0 | 0 | 0 | 119.4 | V119 | S117-V119 PolarHBondContact O-N 3.28Š| ||
| 118 | K | 27.8 | Very low | 29 | Very low | 213 Ų | 213 | 145.8 Ų | 145.8 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | trans | -54.2 | 121 | 168 | -73.5 | 172.4 | 174.6 | 171.3 | 0 | 112.8 | ||||
| 119 | V | 28.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | trans | -136.3 | 124.8 | 152.9 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | S117 | S117-V119 PolarHBondContact O-N 3.28Š| ||
| 120 | K | 27.8 | Very low | 29.1 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 86% | 0.861 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 140.1 | 173.5 | -78.9 | 178.1 | 172 | -178.7 | 0 | 110.1 | ||
| 121 | P | 29.8 | Very low | 29.3 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 130.4 | 155 | 31.6 | -20.3 | 0 | 0 | 0 | 110.7 | ||
| 122 | T | 25.5 | Very low | 30 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 85% | 0.847 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 134.6 | 167.5 | -39.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 123 | V | 30 | Very low | 30.6 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 74% | 0.739 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 123.7 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 108.9 | E125 | V123-E125 HydrophobicContact CG1-CG 4.3Š|
| 124 | E | 26.9 | Very low | 31.3 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -128.9 | 109.4 | 153.6 | -83 | -167.7 | 163 | 0 | 0 | 108.1 | ||||
| 125 | E | 27.5 | Very low | 31.8 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 133.2 | 169.6 | -74.1 | -178.6 | 141.6 | 0 | 0 | 109.9 | V123 | V123-E125 HydrophobicContact CG1-CG 4.3Š| ||
| 126 | S | 27.3 | Very low | 32.7 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -140.8 | 128.1 | 148 | 27.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 127 | P | 31.8 | Very low | 33.3 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 123 | -167.7 | 33.3 | -30.7 | 0 | 0 | 0 | 110.7 | ||
| 128 | L | 29.1 | Very low | 34 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 116.3 | 167.1 | -72.7 | 172.6 | 0 | 0 | 0 | 109.9 | ||
| 129 | T | 31.2 | Very low | 35 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 123.6 | -177.4 | 12 | 0 | 0 | 0 | 0 | 113.3 | S131 | T129-S131 PolarHBondContact O-N 3.05Š|
| 130 | I | 37.8 | Very low | 35.7 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 122.9 | 166.9 | -63.2 | 172.4 | 0 | 0 | 0 | 108.1 | N132 | I130-N132 PolarHBondContact O-N 2.92Š|
| 131 | S | 35.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 117 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | T129 A133 | T129-S131 PolarHBondContact O-N 3.05Å; S131-A133 PolarHBondContact O-N 2.85Å |
| 132 | N | 44.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 32.5 | -176.8 | -91.1 | -19.5 | 0 | 0 | 0 | 114.7 | I130 | I130-N132 PolarHBondContact O-N 2.92Š|
| 133 | A | 42.3 | Very low | 38.1 | Very low | 79 Ų | 79 | 146.8 Ų | 146.8 | 65% | 0.653 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -11.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S131 | S131-A133 PolarHBondContact O-N 2.85Š|
| 134 | V | 42.9 | Very low | 38.9 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -108.3 | -2 | -174.8 | -163.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 135 | A | 38.5 | Very low | 39.6 | Very low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -94.5 | 21.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 136 | R | 45.3 | Very low | 40.3 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | trans | -129.9 | 68.7 | 177.9 | -72.5 | -169.8 | 178.6 | -174.3 | 0.8 | 111.9 | ||||
| 137 | L | 42 | Very low | 40.8 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -168.5 | 60.3 | 154 | -107 | 139.2 | 0 | 0 | 0 | 111 | ||||
| 138 | R | 42.4 | Very low | 41.4 | Very low | 246 Ų | 246 | 144.5 Ų | 144.5 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | -140.3 | 81.5 | 154.7 | -71.8 | -168.6 | -175.3 | 157.9 | 1.4 | 108 | ||||
| 139 | Q | 48.2 | Very low | 42.4 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 133.7 | 159.3 | -81.5 | 179.6 | -15.1 | 0 | 0 | 107.7 | ||
| 140 | P | 44.6 | Very low | 42.7 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.4 | 166.4 | -10.5 | 25 | 0 | 0 | 0 | 108.8 | A142 | P140-A142 PolarHBondContact O-N 3.1Š|
| 141 | L | 41.5 | Very low | 42.9 | Very low | 174 Ų | 174 | 143 Ų | 143 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135.2 | 171.6 | -80.5 | 151.2 | 0 | 0 | 0 | 109.8 | ||
| 142 | A | 47.6 | Very low | 43.1 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 135.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P140 I144 | P140-A142 PolarHBondContact O-N 3.1Å; A142-I144 PolarHBondContact O-N 3.19Å |
| 143 | T | 43.1 | Very low | 42.9 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 119.9 | 175.1 | -40 | 0 | 0 | 0 | 0 | 109.9 | N145 | T143-N145 PolarHBondContact O-N 3.14Š|
| 144 | I | 46.9 | Very low | 42.7 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -73.5 | 114.9 | 172.9 | -62.2 | 172.7 | 0 | 0 | 0 | 107.9 | A142 I146 | A142-I144 PolarHBondContact O-N 3.19Å; I144-I146 HydrophobicContact CG2-CG1 4.3Å; I144-I146 PolarHBondContact O-N 3.41Å | ||
| 145 | N | 41.8 | Very low | 42.7 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -75.8 | 110.5 | 171.2 | -79.8 | -25.6 | 0 | 0 | 0 | 109.5 | T143 | T143-N145 PolarHBondContact O-N 3.14Š| ||
| 146 | I | 43.2 | Very low | 42.9 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -92.2 | 131 | 170.7 | -57.1 | 171.4 | 0 | 0 | 0 | 107.7 | I144 S148 | I144-I146 HydrophobicContact CG2-CG1 4.3Å; I144-I146 PolarHBondContact O-N 3.41Å; I146-S148 PolarHBondContact O-N 3.22Å | ||
| 147 | P | 36.8 | Very low | 42.8 | Very low | 112 Ų | 112 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -64.4 | 132 | -177.5 | 24.2 | -32.5 | 0 | 0 | 0 | 112.2 | S149 | P147-S149 PolarHBondContact O-N 3.38Š| ||
| 148 | S | 44.9 | Very low | 42.8 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -74.1 | 80.3 | 179.5 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | I146 | I146-S148 PolarHBondContact O-N 3.22Š|
| 149 | S | 49.3 | Very low | 42.7 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -163.1 | 46.5 | 164.9 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | P147 | P147-S149 PolarHBondContact O-N 3.38Š| ||
| 150 | M | 37.7 | Very low | 42.4 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 111.2 | 161.4 | -71.1 | -175.7 | -179.8 | 0 | 0 | 109.4 | V152 | M150-V152 PolarHBondContact O-N 3.02Š| ||
| 151 | D | 42.4 | Very low | 42.3 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -64 | 106.8 | 172.6 | -172.6 | 17.6 | 0 | 0 | 0 | 108.8 | ||||
| 152 | V | 38.3 | Very low | 42.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -106.8 | 86.2 | 171.8 | -73.8 | 0 | 0 | 0 | 0 | 108.1 | M150 F154 | M150-V152 PolarHBondContact O-N 3.02Å; V152-F154 VanDerWaalsContact C-N 3.29Å; V152-F154 PolarHBondContact O-N 2.92Å | ||
| 153 | S | 40.3 | Very low | 42.1 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -60.1 | 95.8 | 161.1 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | D155 | S153-D155 VanDerWaalsContact C-N 3.27Å; S153-D155 PolarHBondContact O-N 2.99Å | ||
| 154 | F | 39.6 | Very low | 42 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -85.4 | 76.2 | 170.6 | -170.2 | -93.1 | 0 | 0 | 0 | 108 | V152 | V152-F154 VanDerWaalsContact C-N 3.29Å; V152-F154 PolarHBondContact O-N 2.92Å | ||
| 155 | D | 41.5 | Very low | 41.6 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -137.4 | 76.8 | 163.1 | -149.8 | 18.8 | 0 | 0 | 0 | 108 | S153 | S153-D155 VanDerWaalsContact C-N 3.27Å; S153-D155 PolarHBondContact O-N 2.99Å | ||
| 156 | S | 44.1 | Very low | 41.9 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | -131.9 | 118.4 | 159.9 | -93.8 | 0 | 0 | 0 | 0 | 107.5 | M158 | S156-M158 PolarHBondContact O-N 3.35Š| ||
| 157 | P | 43.2 | Very low | 41.7 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -63.2 | 122 | 171.5 | 26.3 | -28.9 | 0 | 0 | 0 | 107 | D159 | P157-D159 PolarHBondContact O-N 3.37Š| ||
| 158 | M | 40.8 | Very low | 42.3 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -55.8 | 107.7 | 167.2 | -114.3 | 167.2 | 171.1 | 0 | 0 | 107 | S156 M160 | S156-M158 PolarHBondContact O-N 3.35Å; M158-M160 VanDerWaalsContact C-N 3.32Å; M158-M160 PolarHBondContact O-N 3.14Å | ||
| 159 | D | 39.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 96.1 | 171.1 | -178.5 | 28.8 | 0 | 0 | 0 | 107.5 | P157 S161 | P157-D159 PolarHBondContact O-N 3.37Å; D159-S161 VanDerWaalsContact CG-OG 3.27Å; D159-S161 PolarHBondContact O-N 3.42Å; D159-S161 PolarHBondContact OD1-N 3.19Å; D159-S161 WeakPolarHBondContact OD2-CB 3.23Å; D159-S161 PolarHBondContact OD2-OG 2.96Å | ||
| 160 | M | 42.6 | Very low | 43 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | trans | -75.2 | 46.4 | 166.1 | -77.4 | -103 | -70.4 | 0 | 0 | 109.6 | M158 V162 | M158-M160 VanDerWaalsContact C-N 3.32Å; M158-M160 PolarHBondContact O-N 3.14Å; M160-V162 PolarHBondContact O-N 2.99Å | ||
| 161 | S | 42.2 | Very low | 44.2 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 46% | 0.462 | 73% | 0.73 | S | S | . | * | trans | -64.9 | 106.7 | 162.1 | 49.5 | 0 | 0 | 0 | 0 | 105.8 | D159 V163 | D159-S161 VanDerWaalsContact CG-OG 3.27Å; D159-S161 PolarHBondContact O-N 3.42Å; D159-S161 PolarHBondContact OD1-N 3.19Å; D159-S161 WeakPolarHBondContact OD2-CB 3.23Å; D159-S161 PolarHBondContact OD2-OG 2.96Å; S161-V163 PolarHBondContact O-N 2.84Å | ||
| 162 | V | 45.8 | Very low | 45.3 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | trans | -58 | 97.1 | 169 | 177 | 0 | 0 | 0 | 0 | 105.5 | M160 D164 | M160-V162 PolarHBondContact O-N 2.99Å; V162-D164 VanDerWaalsContact C-N 3.28Å; V162-D164 PolarHBondContact O-N 3Å | ||
| 163 | V | 39.3 | Very low | 46.5 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -68.2 | 101.3 | 163.8 | -178.4 | 0 | 0 | 0 | 0 | 103.8 | S161 G165 | S161-V163 PolarHBondContact O-N 2.84Å; V163-G165 PolarHBondContact O-N 2.9Å | ||
| 164 | D | 42.6 | Very low | 47.9 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 87% | 0.866 | 69% | 0.69 | S | S | * | * | trans | -70 | 55.7 | 169.7 | -158.4 | 22.2 | 0 | 0 | 0 | 109 | V162 | V162-D164 VanDerWaalsContact C-N 3.28Å; V162-D164 PolarHBondContact O-N 3Å | ||
| 165 | G | 37.5 | Very low | 49.6 | Very low | 41 Ų | 41 | 118.8 Ų | 118.8 | 42% | 0.423 | 67% | 0.666 | S | S | . | * | trans | -96.1 | 126.9 | 167 | 0 | 0 | 0 | 0 | 0 | 106.7 | V163 E167 | V163-G165 PolarHBondContact O-N 2.9Å; G165-E167 PolarHBondContact O-N 3.14Å | ||
| 166 | D | 47.1 | Very low | 51.4 | Low | 159 Ų | 159 | 117.5 Ų | 117.5 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | -52.4 | 87.1 | 160.2 | -92.7 | -30.3 | 0 | 0 | 0 | 108.1 | K168 | D166-K168 PolarHBondContact O-N 3.43Š| ||
| 167 | E | 40.3 | Very low | 53.6 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | -64.7 | 94.3 | 162.4 | -78.3 | -166.5 | 166.1 | 0 | 0 | 105.3 | G165 P169 | G165-E167 PolarHBondContact O-N 3.14Å; E167-P169 WeakPolarHBondContact O-CD 3.36Å | ||
| 168 | K | 49.6 | Very low | 55.9 | Low | 156 Ų | 156 | 120.6 Ų | 120.6 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | trans | -53.1 | 118 | 170.3 | -164 | -175.3 | -177.8 | -154.4 | 0 | 105.3 | D166 V170 E174 | D166-K168 PolarHBondContact O-N 3.43Å; K168-V170 PolarHBondContact O-N 2.89Å; K168-V170 VanDerWaalsContact O-N 3.15Å; K168-E174 IonicContact NZ-OE1 2.82Å | ||
| 169 | P | 55.5 | Low | 58.1 | Low | 112 Ų | 112 | 114 Ų | 114 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | trans | -54.3 | 129.2 | -178.1 | 21 | -31.8 | 0 | 0 | 0 | 107.5 | E167 N171 | E167-P169 WeakPolarHBondContact O-CD 3.36Å; P169-N171 PolarHBondContact O-N 3.05Å | ||
| 170 | V | 53.3 | Low | 60.6 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 81% | 0.812 | 62% | 0.623 | S | S | * | * | trans | -55.3 | 110 | 178.5 | 177.4 | 0 | 0 | 0 | 0 | 106.8 | K168 V172 | K168-V170 PolarHBondContact O-N 2.89Å; K168-V170 VanDerWaalsContact O-N 3.15Å; V170-V172 PolarHBondContact O-N 2.82Å; V170-V172 VanDerWaalsContact O-N 3.13Å | ||
| 171 | N | 62.9 | Low | 63 | Low | 48 Ų | 48 | 109.4 Ų | 109.4 | 26% | 0.257 | 61% | 0.613 | S | S | . | * | trans | -74.6 | 109.8 | 179.3 | -177.6 | -15.2 | 0 | 0 | 0 | 106.7 | P169 N173 E174 C320 | P169-N171 PolarHBondContact O-N 3.05Å; N171-N173 PolarHBondContact O-N 3.47Å; N171-N173 VanDerWaalsContact OD1-CB 3.28Å; N171-N173 WeakPolarHBondContact OD1-CB 3.47Å; N171-N173 PolarHBondContact OD1-N 3.01Å; N171-E174 HydrophobicContact CB-CB 4.38Å; N171-E174 HydrophobicContact CB-CG 3.79Å; N171-E174 WeakPolarHBondContact O-CB 3.23Å; N171-E174 PolarHBondContact O-N 3.07Å; N171-C320 PolarHBondContact ND2-SG 2.63Å; N171-C320 VanDerWaalsContact ND2-SG 3.41Å | ||
| 172 | V | 64.6 | Low | 65.5 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 72% | 0.721 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -19.8 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | V170 V175 | V170-V172 PolarHBondContact O-N 2.82Å; V170-V172 VanDerWaalsContact O-N 3.13Å; V172-V175 WeakPolarHBondContact O-CG2 3.43Å |
| 173 | N | 64.8 | Low | 67.8 | Low | 59 Ų | 59 | 104 Ų | 104 | 32% | 0.316 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -4.9 | 176.5 | -59.3 | -29.6 | 0 | 0 | 0 | 114.1 | N171 V175 T316 | N171-N173 PolarHBondContact O-N 3.47Å; N171-N173 VanDerWaalsContact OD1-CB 3.28Å; N171-N173 WeakPolarHBondContact OD1-CB 3.47Å; N171-N173 PolarHBondContact OD1-N 3.01Å; N173-V175 PolarHBondContact O-N 3.41Å; N173-T316 PolarHBondContact ND2-OG1 3.26Å |
| 174 | E | 69.6 | Low | 70.5 | Confident | 104 Ų | 104 | 102.6 Ų | 102.6 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | trans | -79.3 | 54.7 | 173.2 | -73.8 | 177.1 | -169.4 | 0 | 0 | 111.3 | K168 N171 | K168-E174 IonicContact NZ-OE1 2.82Å; N171-E174 HydrophobicContact CB-CB 4.38Å; N171-E174 HydrophobicContact CB-CG 3.79Å; N171-E174 WeakPolarHBondContact O-CB 3.23Å; N171-E174 PolarHBondContact O-N 3.07Å | ||
| 175 | V | 75 | Confident | 73 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 34% | 0.339 | 55% | 0.547 | S | S | . | . | trans | -119.8 | 86.9 | 178.6 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | V172 N173 E177 Y178 A179 | V172-V175 WeakPolarHBondContact O-CG2 3.43Å; N173-V175 PolarHBondContact O-N 3.41Å; V175-E177 PolarHBondContact O-N 2.93Å; V175-Y178 HydrophobicContact CG1-CD2 3.73Å; V175-Y178 PolarHBondContact O-N 3.28Å; V175-A179 WeakPolarHBondContact O-CB 3.5Å; V175-A179 PolarHBondContact O-N 2.9Å; V175-A179 VanDerWaalsContact O-N 3.14Å | ||
| 176 | P | 79.9 | Confident | 75.9 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 74% | 0.74 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.1 | -169.7 | 25.6 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 177 | E | 89.3 | Confident | 78.2 | Confident | 158 Ų | 158 | 95.1 Ų | 95.1 | 74% | 0.738 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -39.6 | -177.4 | -63 | 177.2 | -178.1 | 0 | 0 | 112.9 | V175 | V175-E177 PolarHBondContact O-N 2.93Š|
| 178 | Y | 90.8 | Very high | 80.9 | Confident | 125 Ų | 125 | 91.3 Ų | 91.3 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -1.6 | -177.5 | -57.5 | -77 | 0 | 0 | 0 | 112.9 | V175 A180 E181 I182 | V175-Y178 HydrophobicContact CG1-CD2 3.73Å; V175-Y178 PolarHBondContact O-N 3.28Å; Y178-A180 VanDerWaalsContact C-N 3.29Å; Y178-A180 PolarHBondContact O-N 3.39Å; Y178-E181 PolarHBondContact O-N 2.86Å; Y178-E181 VanDerWaalsContact O-N 3.1Å; Y178-I182 WeakPolarHBondContact O-CB 3.25Å; Y178-I182 VanDerWaalsContact O-CG1 3.28Å; Y178-I182 WeakPolarHBondContact O-CG1 3.22Å; Y178-I182 PolarHBondContact O-N 3.11Å |
| 179 | A | 88.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 85.3 Ų | 85.3 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -53.7 | -43 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V175 H183 | V175-A179 WeakPolarHBondContact O-CB 3.5Å; V175-A179 PolarHBondContact O-N 2.9Å; V175-A179 VanDerWaalsContact O-N 3.14Å; A179-H183 WeakPolarHBondContact O-CB 3.48Å; A179-H183 PolarHBondContact O-N 3.47Å |
| 180 | A | 90.6 | Very high | 85.2 | Confident | 73 Ų | 73 | 80 Ų | 80 | 60% | 0.603 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.5 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y178 T184 | Y178-A180 VanDerWaalsContact C-N 3.29Å; Y178-A180 PolarHBondContact O-N 3.39Å; A180-T184 WeakPolarHBondContact O-CB 3.41Å; A180-T184 PolarHBondContact O-N 3.38Å; A180-T184 PolarHBondContact O-OG1 2.94Å |
| 181 | E | 94.1 | Very high | 87.3 | Confident | 134 Ų | 134 | 77.9 Ų | 77.9 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.3 | -43.4 | 178 | -64.9 | 179.9 | -174.4 | 0 | 0 | 111 | Y178 T184 Y185 | Y178-E181 PolarHBondContact O-N 2.86Å; Y178-E181 VanDerWaalsContact O-N 3.1Å; E181-T184 PolarHBondContact O-N 2.98Å; E181-Y185 WeakPolarHBondContact O-CB 3.33Å; E181-Y185 PolarHBondContact O-N 2.87Å |
| 182 | I | 94.1 | Very high | 88.9 | Confident | 68 Ų | 68 | 81.8 Ų | 81.8 | 35% | 0.349 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 175.8 | -66.2 | 167.5 | 0 | 0 | 0 | 110 | Y178 T184 Y185 L186 | Y178-I182 WeakPolarHBondContact O-CB 3.25Å; Y178-I182 VanDerWaalsContact O-CG1 3.28Å; Y178-I182 WeakPolarHBondContact O-CG1 3.22Å; Y178-I182 PolarHBondContact O-N 3.11Å; I182-T184 VanDerWaalsContact C-N 3.31Å; I182-T184 PolarHBondContact O-N 2.89Å; I182-Y185 PolarHBondContact O-N 3.39Å; I182-L186 HydrophobicContact CG2-CD1 4.03Å; I182-L186 HydrophobicContact CG2-CG 4.21Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 2.66Å |
| 183 | H | 93.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 76.5 Ų | 76.5 | 6% | 0.06 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 177.7 | 174.6 | -96.4 | 0 | 0 | 0 | 111.2 | A179 Y185 L186 R187 F314 Q317 M378 | A179-H183 WeakPolarHBondContact O-CB 3.48Å; A179-H183 PolarHBondContact O-N 3.47Å; H183-Y185 PolarHBondContact O-N 3.16Å; H183-L186 PolarHBondContact O-N 2.99Å; H183-R187 WeakPolarHBondContact O-CB 3.28Å; H183-R187 VanDerWaalsContact O-CG 3.22Å; H183-R187 WeakPolarHBondContact O-CG 3.48Å; H183-R187 PolarHBondContact O-N 3.38Å; H183-F314 AromaticContact CD2-CE1 3.99Å; H183-Q317 PolarHBondContact CD2-OE1 2.99Å; H183-Q317 VanDerWaalsContact CD2-OE1 3.28Å; H183-M378 PolarHBondContact CE1-O 3.07Å; H183-M378 VanDerWaalsContact CE1-O 3.27Å |
| 184 | T | 95.8 | Very high | 91.7 | Very high | 91 Ų | 91 | 78.3 Ų | 78.3 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | A180 E181 I182 R187 E188 | A180-T184 WeakPolarHBondContact O-CB 3.41Å; A180-T184 PolarHBondContact O-N 3.38Å; A180-T184 PolarHBondContact O-OG1 2.94Å; E181-T184 PolarHBondContact O-N 2.98Å; I182-T184 VanDerWaalsContact C-N 3.31Å; I182-T184 PolarHBondContact O-N 2.89Å; T184-R187 PolarHBondContact O-N 3.29Å; T184-E188 PolarHBondContact O-N 2.96Å; T184-E188 VanDerWaalsContact O-N 3.1Å |
| 185 | Y | 96.6 | Very high | 92.9 | Very high | 125 Ų | 125 | 74.2 Ų | 74.2 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.8 | 173.8 | -103.7 | 0 | 0 | 0 | 112.2 | E181 I182 H183 R187 E188 M189 | E181-Y185 WeakPolarHBondContact O-CB 3.33Å; E181-Y185 PolarHBondContact O-N 2.87Å; I182-Y185 PolarHBondContact O-N 3.39Å; H183-Y185 PolarHBondContact O-N 3.16Å; Y185-R187 VanDerWaalsContact C-N 3.3Å; Y185-R187 PolarHBondContact O-N 3.01Å; Y185-E188 WeakPolarHBondContact O-CB 3.35Å; Y185-E188 PolarHBondContact O-N 2.89Å; Y185-E188 VanDerWaalsContact O-N 3.13Å; Y185-M189 HydrophobicContact CD1-CG 4.16Å; Y185-M189 HydrophobicContact CD2-CG 4.04Å; Y185-M189 HydrophobicContact CE1-CG 3.71Å; Y185-M189 HydrophobicContact CE2-CG 3.57Å; Y185-M189 HydrophobicContact CE2-SD 3.88Å; Y185-M189 HydrophobicContact CG-CG 4.32Å; Y185-M189 WeakPolarHBondContact O-CB 3.42Å; Y185-M189 WeakPolarHBondContact O-CG 3.3Å; Y185-M189 PolarHBondContact O-N 3.31Å |
| 186 | L | 96.7 | Very high | 93.8 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.4 | -67.2 | -179.5 | 0 | 0 | 0 | 111.6 | I182 H183 E188 M189 E190 P309 Q313 F314 Q317 | I182-L186 HydrophobicContact CG2-CD1 4.03Å; I182-L186 HydrophobicContact CG2-CG 4.21Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 2.66Å; H183-L186 PolarHBondContact O-N 2.99Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.2Å; L186-M189 PolarHBondContact O-N 3.16Å; L186-E190 WeakPolarHBondContact O-CB 3.38Å; L186-E190 PolarHBondContact O-N 3.1Å; L186-P309 HydrophobicContact CB-CB 4.3Å; L186-P309 HydrophobicContact CB-CG 4.3Å; L186-P309 HydrophobicContact CD2-CB 4.08Å; L186-P309 HydrophobicContact CD2-CG 3.87Å; L186-P309 WeakPolarHBondContact O-CG 3.41Å; L186-Q313 HydrophobicContact CD1-CB 4.46Å; L186-F314 HydrophobicContact CB-CE1 4.01Å; L186-F314 HydrophobicContact CB-CZ 3.72Å; L186-Q317 VanDerWaalsContact CD1-NE2 3.34Å |
| 187 | R | 97.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 74 Ų | 74 | 23% | 0.234 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.8 | -33.1 | 174.8 | -69.1 | -66 | -62.1 | -83.1 | -9.7 | 112.9 | H183 T184 Y185 E190 F314 S352 S379 Y381 | H183-R187 WeakPolarHBondContact O-CB 3.28Å; H183-R187 VanDerWaalsContact O-CG 3.22Å; H183-R187 WeakPolarHBondContact O-CG 3.48Å; H183-R187 PolarHBondContact O-N 3.38Å; T184-R187 PolarHBondContact O-N 3.29Å; Y185-R187 VanDerWaalsContact C-N 3.3Å; Y185-R187 PolarHBondContact O-N 3.01Å; R187-E190 WeakPolarHBondContact CD-OE1 3.49Å; R187-E190 IonicContact NE-OE1 3.01Å; R187-E190 PolarHBondContact NE-OE1 2.68Å; R187-E190 WeakPolarHBondContact O-CG 3.32Å; R187-F314 HydrophobicContact CG-CE1 4Å; R187-F314 HydrophobicContact CG-CZ 4.3Å; R187-S352 PolarHBondContact NE-OG 3.06Å; R187-S379 PolarHBondContact NH1-O 3.34Å; R187-Y381 VanDerWaalsContact CZ-CZ 3.5Å; R187-Y381 VanDerWaalsContact CZ-OH 3.25Å; R187-Y381 PolarHBondContact NH2-OH 3.08Å |
| 188 | E | 97.4 | Very high | 94.3 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.5 | -44.5 | 172.2 | -171.7 | -174 | 161.6 | 0 | 0 | 111.1 | T184 Y185 L186 V191 K192 | T184-E188 PolarHBondContact O-N 2.96Å; T184-E188 VanDerWaalsContact O-N 3.1Å; Y185-E188 WeakPolarHBondContact O-CB 3.35Å; Y185-E188 PolarHBondContact O-N 2.89Å; Y185-E188 VanDerWaalsContact O-N 3.13Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.2Å; E188-V191 PolarHBondContact O-N 2.96Å; E188-K192 VanDerWaalsContact OE1-CE 3.23Å; E188-K192 WeakPolarHBondContact OE1-CE 3.35Å; E188-K192 IonicContact OE1-NZ 2.63Å; E188-K192 PolarHBondContact OE1-NZ 3.28Å |
| 189 | M | 97.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 62.5 Ų | 62.5 | 15% | 0.148 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.5 | -34.7 | -175.1 | -70 | -54.3 | -62.5 | 0 | 0 | 113 | Y185 L186 V191 K192 T193 P309 | Y185-M189 HydrophobicContact CD1-CG 4.16Å; Y185-M189 HydrophobicContact CD2-CG 4.04Å; Y185-M189 HydrophobicContact CE1-CG 3.71Å; Y185-M189 HydrophobicContact CE2-CG 3.57Å; Y185-M189 HydrophobicContact CE2-SD 3.88Å; Y185-M189 HydrophobicContact CG-CG 4.32Å; Y185-M189 WeakPolarHBondContact O-CB 3.42Å; Y185-M189 WeakPolarHBondContact O-CG 3.3Å; Y185-M189 PolarHBondContact O-N 3.31Å; L186-M189 PolarHBondContact O-N 3.16Å; M189-V191 PolarHBondContact O-N 3.19Å; M189-V191 VanDerWaalsContact O-N 3.14Å; M189-K192 HydrophobicContact CE-CD 4.41Å; M189-K192 PolarHBondContact O-N 3.35Å; M189-K192 HydrophobicContact SD-CD 3.81Å; M189-T193 HydrophobicContact CE-CG2 4.3Å; M189-T193 PolarHBondContact O-N 3.42Å; M189-T193 PolarHBondContact O-OG1 3.26Å; M189-P309 HydrophobicContact CB-CG 3.52Å |
| 190 | E | 97.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -24.7 | 179.7 | 71 | 173.8 | 165.9 | 0 | 0 | 112.8 | L186 R187 R194 P309 F314 L350 P351 S352 | L186-E190 WeakPolarHBondContact O-CB 3.38Å; L186-E190 PolarHBondContact O-N 3.1Å; R187-E190 WeakPolarHBondContact CD-OE1 3.49Å; R187-E190 IonicContact NE-OE1 3.01Å; R187-E190 PolarHBondContact NE-OE1 2.68Å; R187-E190 WeakPolarHBondContact O-CG 3.32Å; E190-R194 WeakPolarHBondContact O-CB 3.17Å; E190-P309 HydrophobicContact CB-CB 4.07Å; E190-P309 HydrophobicContact CB-CG 4.24Å; E190-F314 HydrophobicContact CB-CE2 4.38Å; E190-F314 WeakPolarHBondContact OE2-CE2 3.36Å; E190-L350 HydrophobicContact CG-CD2 4.36Å; E190-P351 HydrophobicContact CB-CG 4.2Å; E190-P351 WeakPolarHBondContact OE2-CD 3.47Å; E190-S352 VanDerWaalsContact CD-OG 3.23Å; E190-S352 WeakPolarHBondContact OE1-CB 3.35Å; E190-S352 PolarHBondContact OE1-OG 2.75Å; E190-S352 VanDerWaalsContact OE2-CB 3.27Å; E190-S352 WeakPolarHBondContact OE2-CB 3.36Å; E190-S352 PolarHBondContact OE2-N 2.97Å; E190-S352 PolarHBondContact OE2-OG 3.18Å; E190-S352 VanDerWaalsContact OE2-OG 3.05Å |
| 191 | V | 96.6 | Very high | 95 | Very high | 88 Ų | 88 | 67.5 Ų | 67.5 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -78.2 | -39.7 | 174.2 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | E188 M189 R194 L350 | E188-V191 PolarHBondContact O-N 2.96Å; M189-V191 PolarHBondContact O-N 3.19Å; M189-V191 VanDerWaalsContact O-N 3.14Å; V191-R194 WeakPolarHBondContact O-CB 3.27Å; V191-L350 HydrophobicContact CG2-CD1 4.27Å; V191-L350 HydrophobicContact CG2-CD2 4.36Å |
| 192 | K | 95.7 | Very high | 95 | Very high | 130 Ų | 130 | 66.9 Ų | 66.9 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.9 | -39.3 | 179.8 | -66.9 | 178.5 | -173.3 | 166 | 0 | 112.5 | E188 M189 R194 | E188-K192 VanDerWaalsContact OE1-CE 3.23Å; E188-K192 WeakPolarHBondContact OE1-CE 3.35Å; E188-K192 IonicContact OE1-NZ 2.63Å; E188-K192 PolarHBondContact OE1-NZ 3.28Å; M189-K192 HydrophobicContact CE-CD 4.41Å; M189-K192 PolarHBondContact O-N 3.35Å; M189-K192 HydrophobicContact SD-CD 3.81Å; K192-R194 VanDerWaalsContact C-N 3.26Å; K192-R194 PolarHBondContact O-N 3.39Å |
| 193 | T | 94.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 20.7 | -178.5 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | M189 N237 R241 A308 P309 | M189-T193 HydrophobicContact CE-CG2 4.3Å; M189-T193 PolarHBondContact O-N 3.42Å; M189-T193 PolarHBondContact O-OG1 3.26Å; T193-N237 PolarHBondContact O-ND2 2.89Å; T193-R241 WeakPolarHBondContact O-CD 3.32Å; T193-A308 HydrophobicContact CG2-CB 4.2Å; T193-P309 WeakPolarHBondContact OG1-CD 3.38Å |
| 194 | R | 94.2 | Very high | 95.1 | Very high | 97 Ų | 97 | 68.3 Ų | 68.3 | 37% | 0.366 | 34% | 0.342 | S | S | . | . | trans | -79.1 | 128.2 | -177.1 | -164.3 | -178.2 | 174.5 | 166.1 | -2.3 | 112.1 | E190 V191 K192 L347 K348 L350 | E190-R194 WeakPolarHBondContact O-CB 3.17Å; V191-R194 WeakPolarHBondContact O-CB 3.27Å; K192-R194 VanDerWaalsContact C-N 3.26Å; K192-R194 PolarHBondContact O-N 3.39Å; R194-L347 PolarHBondContact NH2-O 3.3Å; R194-K348 VanDerWaalsContact NH2-CA 3.33Å; R194-K348 PolarHBondContact NH2-O 2.94Å; R194-L350 HydrophobicContact CG-CD2 4.46Å | ||
| 195 | P | 94.9 | Very high | 95.1 | Very high | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | trans | -63.8 | 156.6 | 169 | -16.5 | 27.9 | 0 | 0 | 0 | 112.8 | A197 D240 R241 L347 | P195-A197 PolarHBondContact O-N 3.38Å; P195-D240 HydrophobicContact CB-CB 3.59Å; P195-D240 HydrophobicContact CG-CB 3.44Å; P195-D240 VanDerWaalsContact CG-CB 3.44Å; P195-R241 HydrophobicContact CB-CG 4.49Å; P195-R241 HydrophobicContact CG-CG 4.1Å; P195-L347 HydrophobicContact CB-CD2 4.35Å; P195-L347 HydrophobicContact CG-CD2 4.31Å | ||
| 196 | K | 93.7 | Very high | 95.1 | Very high | 110 Ų | 110 | 60.3 Ų | 60.3 | 48% | 0.478 | 30% | 0.304 | S | S | . | . | trans | -77.5 | 106.7 | 176.3 | -64.6 | 174.9 | -168.2 | 152.9 | 0 | 109.5 | G198 Y199 S244 | K196-G198 PolarHBondContact O-N 3.42Å; K196-Y199 WeakPolarHBondContact O-CB 3.42Å; K196-Y199 WeakPolarHBondContact O-CD1 3.43Å; K196-Y199 PolarHBondContact O-N 2.91Å; K196-S244 PolarHBondContact N-OG 3.17Å; K196-S244 PolarHBondContact NZ-O 3.15Å | ||
| 197 | A | 89.4 | Confident | 95.2 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -28.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P195 L347 | P195-A197 PolarHBondContact O-N 3.38Å; A197-L347 HydrophobicContact CB-CB 4.15Å |
| 198 | G | 90.6 | Very high | 95.1 | Very high | 37 Ų | 37 | 62.1 Ų | 62.1 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 13.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K196 M200 K201 | K196-G198 PolarHBondContact O-N 3.42Å; G198-M200 PolarHBondContact O-N 3.27Å; G198-K201 WeakPolarHBondContact O-CB 3.46Å; G198-K201 PolarHBondContact O-N 3.48Å |
| 199 | Y | 95.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -61 | -33.1 | -171.3 | 75.2 | -107.3 | 0 | 0 | 0 | 112.8 | K196 K201 K202 Q203 R211 D240 L243 S244 L347 | K196-Y199 WeakPolarHBondContact O-CB 3.42Å; K196-Y199 WeakPolarHBondContact O-CD1 3.43Å; K196-Y199 PolarHBondContact O-N 2.91Å; Y199-K201 PolarHBondContact O-N 2.9Å; Y199-K202 WeakPolarHBondContact O-CB 3.44Å; Y199-K202 PolarHBondContact O-N 3.49Å; Y199-Q203 HydrophobicContact CD2-CG 4.29Å; Y199-Q203 PolarHBondContact O-N 2.88Å; Y199-R211 VanDerWaalsContact OH-CD 3.27Å; Y199-R211 WeakPolarHBondContact OH-CD 3.28Å; Y199-R211 PolarHBondContact OH-NE 3.34Å; Y199-D240 HydrophobicContact CE1-CB 4.01Å; Y199-D240 PolarHBondContact OH-OD1 2.9Å; Y199-L243 HydrophobicContact CD2-CB 3.77Å; Y199-L243 WeakPolarHBondContact CD2-O 3.23Å; Y199-L243 HydrophobicContact CE2-CB 3.47Å; Y199-L243 VanDerWaalsContact CE2-CB 3.47Å; Y199-L243 HydrophobicContact CE2-CD1 3.99Å; Y199-L243 HydrophobicContact CE2-CG 4.39Å; Y199-S244 WeakPolarHBondContact CD1-OG 3.29Å; Y199-L347 HydrophobicContact CD1-CD1 4.2Å; Y199-L347 HydrophobicContact CE1-CD1 3.57Å |
| 200 | M | 96.2 | Very high | 95 | Very high | 21 Ų | 21 | 59 Ų | 59 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -62.1 | -29.1 | -178.2 | -162.1 | 67 | 67.4 | 0 | 0 | 112.2 | G198 K202 Q203 I206 T207 N208 R211 | G198-M200 PolarHBondContact O-N 3.27Å; M200-K202 PolarHBondContact O-N 2.83Å; M200-Q203 PolarHBondContact O-N 3.42Å; M200-Q203 VanDerWaalsContact O-N 3.14Å; M200-Q203 HydrophobicContact SD-CB 4.24Å; M200-Q203 HydrophobicContact SD-CG 4.2Å; M200-I206 HydrophobicContact SD-CD1 4.1Å; M200-I206 HydrophobicContact SD-CG1 3.91Å; M200-T207 VanDerWaalsContact SD-C 3.58Å; M200-N208 VanDerWaalsContact CB-OD1 3.32Å; M200-N208 WeakPolarHBondContact CB-OD1 3.4Å; M200-N208 WeakPolarHBondContact CG-OD1 3.32Å; M200-R211 HydrophobicContact CE-CB 3.93Å |
| 201 | K | 93.9 | Very high | 95.1 | Very high | 201 Ų | 201 | 59.2 Ų | 59.2 | 87% | 0.874 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.7 | 175.3 | -61.9 | 179.5 | -179.4 | 176.9 | 0 | 112.9 | G198 Y199 | G198-K201 WeakPolarHBondContact O-CB 3.46Å; G198-K201 PolarHBondContact O-N 3.48Å; Y199-K201 PolarHBondContact O-N 2.9Å |
| 202 | K | 94 | Very high | 95.1 | Very high | 121 Ų | 121 | 55.2 Ų | 55.2 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -96 | -8.7 | 178.9 | -53.6 | -168.1 | -176.5 | -177.3 | 0 | 112.6 | F99 Y199 M200 | F99-K202 HydrophobicContact CE1-CB 4.45Å; F99-K202 HydrophobicContact CE1-CD 4.06Å; F99-K202 HydrophobicContact CE2-CD 3.79Å; F99-K202 HydrophobicContact CZ-CB 4.24Å; F99-K202 HydrophobicContact CZ-CD 3.27Å; F99-K202 HydrophobicContact CZ-CG 4.37Å; Y199-K202 WeakPolarHBondContact O-CB 3.44Å; Y199-K202 PolarHBondContact O-N 3.49Å; M200-K202 PolarHBondContact O-N 2.83Å |
| 203 | Q | 96.3 | Very high | 95.2 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | trans | -82.6 | 123.3 | 177.8 | -68.2 | -69.3 | -17.4 | 0 | 0 | 109.5 | Y199 M200 I206 L243 M246 | Y199-Q203 HydrophobicContact CD2-CG 4.29Å; Y199-Q203 PolarHBondContact O-N 2.88Å; M200-Q203 PolarHBondContact O-N 3.42Å; M200-Q203 VanDerWaalsContact O-N 3.14Å; M200-Q203 HydrophobicContact SD-CB 4.24Å; M200-Q203 HydrophobicContact SD-CG 4.2Å; Q203-I206 HydrophobicContact CB-CD1 4.19Å; Q203-I206 HydrophobicContact CB-CG1 3.46Å; Q203-I206 VanDerWaalsContact CB-CG1 3.46Å; Q203-I206 HydrophobicContact CG-CD1 3.81Å; Q203-I206 HydrophobicContact CG-CG1 3.68Å; Q203-L243 PolarHBondContact NE2-O 3.06Å; Q203-M246 PolarHBondContact NE2-O 2.65Å | ||
| 204 | P | 94.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -80.2 | -23.5 | -174.6 | 30.5 | -34.8 | 0 | 0 | 0 | 113.7 | S247 | P204-S247 WeakPolarHBondContact CD-OG 3.34Å; P204-S247 WeakPolarHBondContact CG-OG 3.21Å |
| 205 | D | 95.1 | Very high | 95.6 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -130.5 | -3.8 | -167.8 | -169.1 | 44.9 | 0 | 0 | 0 | 114.6 | L249 R250 | D205-L249 HydrophobicContact CB-CD2 3.88Å; D205-L249 WeakPolarHBondContact OD2-CA 3.5Å; D205-R250 IonicContact OD1-CZ 2.76Å; D205-R250 VanDerWaalsContact OD1-CZ 3.24Å; D205-R250 IonicContact OD1-NE 3.43Å; D205-R250 PolarHBondContact OD1-NE 2.91Å; D205-R250 IonicContact OD1-NH2 2.92Å; D205-R250 PolarHBondContact OD1-NH2 3.35Å; D205-R250 WeakPolarHBondContact OD2-CG 3.31Å; D205-R250 PolarHBondContact OD2-N 3.16Å; D205-R250 IonicContact OD2-NE 2.77Å; D205-R250 PolarHBondContact OD2-NE 3.4Å |
| 206 | I | 97.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | trans | -120.7 | 155.2 | 177.3 | 62.1 | 165.2 | 0 | 0 | 0 | 111.6 | M200 Q203 M210 L243 R250 L253 | M200-I206 HydrophobicContact SD-CD1 4.1Å; M200-I206 HydrophobicContact SD-CG1 3.91Å; Q203-I206 HydrophobicContact CB-CD1 4.19Å; Q203-I206 HydrophobicContact CB-CG1 3.46Å; Q203-I206 VanDerWaalsContact CB-CG1 3.46Å; Q203-I206 HydrophobicContact CG-CD1 3.81Å; Q203-I206 HydrophobicContact CG-CG1 3.68Å; I206-M210 HydrophobicContact CB-SD 4.28Å; I206-M210 HydrophobicContact CG2-SD 4.31Å; I206-L243 HydrophobicContact CD1-CD1 3.97Å; I206-L243 HydrophobicContact CD1-CD2 3.85Å; I206-L243 HydrophobicContact CD1-CG 4.48Å; I206-R250 HydrophobicContact CG2-CB 4.16Å; I206-L253 HydrophobicContact CB-CD2 4.43Å; I206-L253 HydrophobicContact CD1-CD1 4.26Å; I206-L253 HydrophobicContact CG2-CB 4.48Å; I206-L253 HydrophobicContact CG2-CD2 4.11Å | ||
| 207 | T | 97 | Very high | 95.9 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 36% | 0.362 | 23% | 0.23 | S | C | . | . | trans | -131.1 | 163.7 | -176.5 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | M200 S209 M210 R211 | M200-T207 VanDerWaalsContact SD-C 3.58Å; T207-S209 PolarHBondContact O-N 3.49Å; T207-M210 WeakPolarHBondContact O-CB 3.41Å; T207-M210 PolarHBondContact O-N 3.01Å; T207-M210 PolarHBondContact OG1-N 3.42Å; T207-R211 PolarHBondContact O-N 3.49Å | ||
| 208 | N | 95.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54.6 | -37 | 173.1 | -70.3 | -22.9 | 0 | 0 | 0 | 112 | M200 M210 R211 A212 S343 | M200-N208 VanDerWaalsContact CB-OD1 3.32Å; M200-N208 WeakPolarHBondContact CB-OD1 3.4Å; M200-N208 WeakPolarHBondContact CG-OD1 3.32Å; N208-M210 PolarHBondContact O-N 3.44Å; N208-R211 WeakPolarHBondContact O-CB 3.33Å; N208-R211 PolarHBondContact O-N 2.89Å; N208-A212 PolarHBondContact O-N 2.89Å; N208-S343 PolarHBondContact OD1-OG 3.31Å |
| 209 | S | 96.3 | Very high | 96.7 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | T207 R211 A212 I213 | T207-S209 PolarHBondContact O-N 3.49Å; S209-R211 VanDerWaalsContact C-N 3.34Å; S209-A212 PolarHBondContact O-N 3.29Å; S209-I213 VanDerWaalsContact O-CG1 3.3Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 2.83Å |
| 210 | M | 97.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | 175.3 | -69.7 | 172.8 | 175.5 | 0 | 0 | 112.1 | L55 N57 I206 T207 N208 I213 L214 R250 L253 | L55-M210 HydrophobicContact CB-CG 4.36Å; L55-M210 HydrophobicContact CD1-CB 4.38Å; N57-M210 WeakPolarHBondContact OD1-CE 3.3Å; I206-M210 HydrophobicContact CB-SD 4.28Å; I206-M210 HydrophobicContact CG2-SD 4.31Å; T207-M210 WeakPolarHBondContact O-CB 3.41Å; T207-M210 PolarHBondContact O-N 3.01Å; T207-M210 PolarHBondContact OG1-N 3.42Å; N208-M210 PolarHBondContact O-N 3.44Å; M210-I213 PolarHBondContact O-N 2.76Å; M210-L214 PolarHBondContact O-N 3.33Å; M210-R250 HydrophobicContact CE-CB 4.27Å; M210-R250 HydrophobicContact SD-CB 4.01Å; M210-L253 HydrophobicContact CB-CD2 3.92Å |
| 211 | R | 97.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 172.5 | -177.1 | -165.4 | 172.5 | -81.1 | 0.4 | 111.1 | Y199 M200 T207 N208 S209 I213 L214 V215 V236 D240 L340 V341 | Y199-R211 VanDerWaalsContact OH-CD 3.27Å; Y199-R211 WeakPolarHBondContact OH-CD 3.28Å; Y199-R211 PolarHBondContact OH-NE 3.34Å; M200-R211 HydrophobicContact CE-CB 3.93Å; T207-R211 PolarHBondContact O-N 3.49Å; N208-R211 WeakPolarHBondContact O-CB 3.33Å; N208-R211 PolarHBondContact O-N 2.89Å; S209-R211 VanDerWaalsContact C-N 3.34Å; R211-I213 VanDerWaalsContact C-N 3.31Å; R211-I213 PolarHBondContact O-N 3.32Å; R211-L214 WeakPolarHBondContact O-CB 3.46Å; R211-L214 PolarHBondContact O-N 3.16Å; R211-L214 VanDerWaalsContact O-N 3.09Å; R211-V215 HydrophobicContact CG-CG2 4.34Å; R211-V215 WeakPolarHBondContact O-CG2 3.46Å; R211-V215 PolarHBondContact O-N 3.37Å; R211-V236 VanDerWaalsContact NH2-CG1 3.28Å; R211-D240 IonicContact CZ-OD1 2.71Å; R211-D240 IonicContact CZ-OD2 3.67Å; R211-D240 IonicContact NE-OD1 2.71Å; R211-D240 PolarHBondContact NE-OD1 2.98Å; R211-D240 IonicContact NE-OD2 3.24Å; R211-D240 IonicContact NH2-OD1 2.93Å; R211-D240 PolarHBondContact NH2-OD1 3.47Å; R211-D240 IonicContact NH2-OD2 3.41Å; R211-D240 PolarHBondContact NH2-OD2 2.9Å; R211-L340 PolarHBondContact NH1-O 3.45Å; R211-L340 PolarHBondContact NH2-O 3.33Å; R211-V341 PolarHBondContact NH1-O 3.31Å; R211-V341 VanDerWaalsContact NH1-O 3.15Å |
| 212 | A | 97.4 | Very high | 97 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N208 S209 L214 V215 D216 V341 Q405 | N208-A212 PolarHBondContact O-N 2.89Å; S209-A212 PolarHBondContact O-N 3.29Å; A212-L214 VanDerWaalsContact C-N 3.33Å; A212-L214 PolarHBondContact O-N 3.16Å; A212-V215 PolarHBondContact O-N 3.4Å; A212-D216 WeakPolarHBondContact O-CB 3.3Å; A212-D216 PolarHBondContact O-N 3.48Å; A212-V341 WeakPolarHBondContact CA-O 3.14Å; A212-V341 HydrophobicContact CB-CG1 3.86Å; A212-Q405 HydrophobicContact CB-CG 4.29Å |
| 213 | I | 98.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 27.5 Ų | 27.5 | 19% | 0.185 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 173.9 | -67.4 | 163.8 | 0 | 0 | 0 | 111.4 | L52 L55 S209 M210 R211 W217 | L52-I213 HydrophobicContact CD1-CG2 3.41Å; L52-I213 VanDerWaalsContact CD1-CG2 3.41Å; L52-I213 HydrophobicContact CG-CG2 4.4Å; L55-I213 HydrophobicContact CD2-CB 4.05Å; L55-I213 HydrophobicContact CD2-CD1 4.31Å; L55-I213 HydrophobicContact CD2-CG2 3.55Å; S209-I213 VanDerWaalsContact O-CG1 3.3Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 2.83Å; M210-I213 PolarHBondContact O-N 2.76Å; R211-I213 VanDerWaalsContact C-N 3.31Å; R211-I213 PolarHBondContact O-N 3.32Å; I213-W217 PolarHBondContact O-N 3.47Å; I213-W217 VanDerWaalsContact O-N 3.11Å |
| 214 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 176.7 | 179.3 | 69 | 0 | 0 | 0 | 111.8 | L52 M210 R211 A212 W217 L218 I239 L253 | L52-L214 HydrophobicContact CD2-CD1 4Å; M210-L214 PolarHBondContact O-N 3.33Å; R211-L214 WeakPolarHBondContact O-CB 3.46Å; R211-L214 PolarHBondContact O-N 3.16Å; R211-L214 VanDerWaalsContact O-N 3.09Å; A212-L214 VanDerWaalsContact C-N 3.33Å; A212-L214 PolarHBondContact O-N 3.16Å; L214-W217 HydrophobicContact CD1-CE3 3.98Å; L214-W217 HydrophobicContact CD1-CZ3 4.3Å; L214-W217 PolarHBondContact O-N 2.95Å; L214-L218 HydrophobicContact CG-CD1 4.28Å; L214-L218 WeakPolarHBondContact O-CG 3.34Å; L214-L218 PolarHBondContact O-N 2.96Å; L214-I239 HydrophobicContact CD2-CD1 4.12Å; L214-I239 HydrophobicContact CD2-CG2 4.35Å; L214-L253 HydrophobicContact CD2-CD1 3.95Å; L214-L253 HydrophobicContact CD2-CG 3.99Å |
| 215 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | -178.4 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | R211 A212 W217 L218 V219 V236 L340 V341 | R211-V215 HydrophobicContact CG-CG2 4.34Å; R211-V215 WeakPolarHBondContact O-CG2 3.46Å; R211-V215 PolarHBondContact O-N 3.37Å; A212-V215 PolarHBondContact O-N 3.4Å; V215-W217 VanDerWaalsContact C-N 3.32Å; V215-W217 PolarHBondContact O-N 2.88Å; V215-L218 WeakPolarHBondContact O-CB 3.48Å; V215-L218 PolarHBondContact O-N 3Å; V215-L218 VanDerWaalsContact O-N 3.11Å; V215-V219 WeakPolarHBondContact O-CG2 3.42Å; V215-V219 PolarHBondContact O-N 3.41Å; V215-V236 HydrophobicContact CG1-CG2 4.01Å; V215-V236 HydrophobicContact CG2-CG2 4.19Å; V215-L340 HydrophobicContact CG1-CB 4.06Å; V215-V341 HydrophobicContact CG1-CG2 4.38Å |
| 216 | D | 98.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.6 | -167.6 | 58.6 | 0 | 0 | 0 | 111.6 | A212 V219 E220 Q405 Q406 S407 | A212-D216 WeakPolarHBondContact O-CB 3.3Å; A212-D216 PolarHBondContact O-N 3.48Å; D216-V219 WeakPolarHBondContact O-CB 3.2Å; D216-V219 PolarHBondContact O-N 3.13Å; D216-E220 PolarHBondContact O-N 2.82Å; D216-Q405 HydrophobicContact CB-CB 3.74Å; D216-Q405 HydrophobicContact CB-CG 3.42Å; D216-Q405 VanDerWaalsContact CB-CG 3.42Å; D216-Q405 VanDerWaalsContact CG-CB 3.4Å; D216-Q405 WeakPolarHBondContact OD1-CB 3.39Å; D216-Q406 PolarHBondContact OD1-N 3.48Å; D216-S407 WeakPolarHBondContact O-CB 3.39Å; D216-S407 WeakPolarHBondContact OD1-CB 3.08Å; D216-S407 PolarHBondContact OD1-N 3.18Å; D216-S407 PolarHBondContact OD1-OG 3.17Å; D216-S407 PolarHBondContact OD2-OG 2.85Å |
| 217 | W | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 173 | 173.7 | 72.8 | 0 | 0 | 0 | 112.6 | T50 L52 I213 L214 V215 V219 E220 V221 Q254 I281 T282 | T50-W217 PolarHBondContact O-NE1 2.96Å; L52-W217 HydrophobicContact CB-CB 4.41Å; L52-W217 HydrophobicContact CB-CD2 3.94Å; L52-W217 HydrophobicContact CB-CG 3.79Å; L52-W217 HydrophobicContact CD1-CB 3.58Å; L52-W217 HydrophobicContact CD1-CG 3.91Å; L52-W217 HydrophobicContact CD2-CB 4.47Å; L52-W217 HydrophobicContact CD2-CD2 4.42Å; L52-W217 HydrophobicContact CD2-CE3 4.43Å; L52-W217 HydrophobicContact CD2-CG 4.44Å; L52-W217 HydrophobicContact CG-CB 4.36Å; L52-W217 HydrophobicContact CG-CG 4.25Å; I213-W217 PolarHBondContact O-N 3.47Å; I213-W217 VanDerWaalsContact O-N 3.11Å; L214-W217 HydrophobicContact CD1-CE3 3.98Å; L214-W217 HydrophobicContact CD1-CZ3 4.3Å; L214-W217 PolarHBondContact O-N 2.95Å; V215-W217 VanDerWaalsContact C-N 3.32Å; V215-W217 PolarHBondContact O-N 2.88Å; W217-V219 PolarHBondContact O-N 2.89Å; W217-E220 WeakPolarHBondContact O-CB 3.43Å; W217-E220 PolarHBondContact O-N 3.37Å; W217-V221 HydrophobicContact CD2-CG2 3.85Å; W217-V221 VanDerWaalsContact CE2-CG2 3.5Å; W217-V221 HydrophobicContact CE3-CG2 4.17Å; W217-V221 HydrophobicContact CG-CG2 4.47Å; W217-V221 HydrophobicContact CH2-CG2 3.9Å; W217-V221 HydrophobicContact CZ2-CG2 3.55Å; W217-V221 HydrophobicContact CZ3-CG2 4.2Å; W217-V221 WeakPolarHBondContact O-CG2 3.23Å; W217-V221 PolarHBondContact O-N 3.24Å; W217-Q254 HydrophobicContact CH2-CG 4.13Å; W217-Q254 HydrophobicContact CZ3-CG 4.05Å; W217-I281 HydrophobicContact CH2-CG2 4.23Å; W217-I281 HydrophobicContact CZ2-CG1 4.37Å; W217-I281 HydrophobicContact CZ2-CG2 3.99Å; W217-T282 HydrophobicContact CH2-CG2 3.95Å; W217-T282 HydrophobicContact CZ2-CG2 4.25Å |
| 218 | L | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -29.7 | 176.4 | -72.2 | 176 | 0 | 0 | 0 | 112.9 | L214 V215 E220 V221 G222 L232 I239 M261 | L214-L218 HydrophobicContact CG-CD1 4.28Å; L214-L218 WeakPolarHBondContact O-CG 3.34Å; L214-L218 PolarHBondContact O-N 2.96Å; V215-L218 WeakPolarHBondContact O-CB 3.48Å; V215-L218 PolarHBondContact O-N 3Å; V215-L218 VanDerWaalsContact O-N 3.11Å; L218-E220 VanDerWaalsContact C-N 3.34Å; L218-V221 PolarHBondContact O-N 3.33Å; L218-G222 PolarHBondContact O-N 3.33Å; L218-L232 HydrophobicContact CB-CD1 3.92Å; L218-I239 HydrophobicContact CD1-CD1 3.43Å; L218-I239 VanDerWaalsContact CD1-CD1 3.43Å; L218-M261 HydrophobicContact CB-CE 3.94Å; L218-M261 HydrophobicContact CD2-CB 4.01Å; L218-M261 HydrophobicContact CD2-CE 4.06Å; L218-M261 HydrophobicContact CD2-CG 4.31Å; L218-M261 WeakPolarHBondContact O-CE 3.19Å |
| 219 | V | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 171.1 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | V215 D216 W217 G222 E223 L232 V408 K411 | V215-V219 WeakPolarHBondContact O-CG2 3.42Å; V215-V219 PolarHBondContact O-N 3.41Å; D216-V219 WeakPolarHBondContact O-CB 3.2Å; D216-V219 PolarHBondContact O-N 3.13Å; W217-V219 PolarHBondContact O-N 2.89Å; V219-G222 PolarHBondContact O-N 3.36Å; V219-E223 PolarHBondContact O-N 2.91Å; V219-L232 HydrophobicContact CG2-CD1 4.35Å; V219-L232 HydrophobicContact CG2-CD2 3.72Å; V219-V408 HydrophobicContact CB-CG2 4.5Å; V219-V408 HydrophobicContact CG1-CG2 4.24Å; V219-V408 HydrophobicContact CG2-CG2 3.73Å; V219-K411 HydrophobicContact CG1-CB 4.46Å; V219-K411 HydrophobicContact CG1-CD 3.95Å |
| 220 | E | 97.1 | Very high | 97.1 | Very high | 73 Ų | 73 | 33 Ų | 33 | 34% | 0.341 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.9 | -61.1 | 171.3 | -98.9 | 0 | 0 | 112 | T50 D216 W217 L218 G222 E223 E224 S407 | T50-E220 HydrophobicContact CG2-CB 3.35Å; T50-E220 VanDerWaalsContact CG2-CD 3.42Å; T50-E220 HydrophobicContact CG2-CG 3.95Å; T50-E220 WeakPolarHBondContact CG2-OE2 3.2Å; D216-E220 PolarHBondContact O-N 2.82Å; W217-E220 WeakPolarHBondContact O-CB 3.43Å; W217-E220 PolarHBondContact O-N 3.37Å; L218-E220 VanDerWaalsContact C-N 3.34Å; E220-G222 VanDerWaalsContact C-N 3.29Å; E220-G222 PolarHBondContact O-N 3.44Å; E220-E223 PolarHBondContact O-N 3.32Å; E220-E224 WeakPolarHBondContact O-CB 3.31Å; E220-E224 PolarHBondContact O-N 3.46Å; E220-S407 VanDerWaalsContact CG-OG 3.23Å; E220-S407 WeakPolarHBondContact CG-OG 3.43Å; E220-S407 PolarHBondContact OE1-OG 3.31Å; E220-S407 VanDerWaalsContact OE1-OG 3.07Å |
| 221 | V | 97.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 111 | W217 L218 E223 E224 Y225 M261 I281 | W217-V221 HydrophobicContact CD2-CG2 3.85Å; W217-V221 VanDerWaalsContact CE2-CG2 3.5Å; W217-V221 HydrophobicContact CE3-CG2 4.17Å; W217-V221 HydrophobicContact CG-CG2 4.47Å; W217-V221 HydrophobicContact CH2-CG2 3.9Å; W217-V221 HydrophobicContact CZ2-CG2 3.55Å; W217-V221 HydrophobicContact CZ3-CG2 4.2Å; W217-V221 WeakPolarHBondContact O-CG2 3.23Å; W217-V221 PolarHBondContact O-N 3.24Å; L218-V221 PolarHBondContact O-N 3.33Å; V221-E223 VanDerWaalsContact C-N 3.35Å; V221-E224 PolarHBondContact O-N 2.85Å; V221-Y225 HydrophobicContact CG1-CD2 3.86Å; V221-Y225 HydrophobicContact CG1-CE2 4.13Å; V221-Y225 WeakPolarHBondContact O-CD2 3.33Å; V221-Y225 PolarHBondContact O-N 3.18Å; V221-Y225 VanDerWaalsContact O-N 3.14Å; V221-M261 HydrophobicContact CB-CE 4.45Å; V221-M261 HydrophobicContact CG1-CE 4.44Å; V221-I281 HydrophobicContact CG1-CG1 4.46Å; V221-I281 HydrophobicContact CG1-CG2 4.39Å; V221-I281 HydrophobicContact CG2-CG1 3.88Å; V221-I281 HydrophobicContact CG2-CG2 4.39Å |
| 222 | G | 97.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L218 V219 E220 K226 L227 | L218-G222 PolarHBondContact O-N 3.33Å; V219-G222 PolarHBondContact O-N 3.36Å; E220-G222 VanDerWaalsContact C-N 3.29Å; E220-G222 PolarHBondContact O-N 3.44Å; G222-K226 CarbonylContact O-C 3.48Å; G222-K226 WeakPolarHBondContact O-CA 3.46Å; G222-K226 PolarHBondContact O-N 3.01Å; G222-L227 PolarHBondContact O-N 2.62Å |
| 223 | E | 95.7 | Very high | 97.2 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 34% | 0.341 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.6 | -40.3 | 177.3 | -69.4 | -65.8 | 111.5 | 0 | 0 | 112.6 | V219 E220 V221 Y225 K226 K411 | V219-E223 PolarHBondContact O-N 2.91Å; E220-E223 PolarHBondContact O-N 3.32Å; V221-E223 VanDerWaalsContact C-N 3.35Å; E223-Y225 VanDerWaalsContact C-N 3.34Å; E223-Y225 PolarHBondContact O-N 3.24Å; E223-K226 PolarHBondContact O-N 3.44Å; E223-K411 HydrophobicContact CG-CB 4.3Å; E223-K411 HydrophobicContact CG-CD 3.95Å; E223-K411 HydrophobicContact CG-CG 4.02Å; E223-K411 WeakPolarHBondContact OE1-CD 3.34Å; E223-K411 WeakPolarHBondContact OE1-CE 3.3Å; E223-K411 IonicContact OE1-NZ 3.42Å |
| 224 | E | 95.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 31.5 Ų | 31.5 | 38% | 0.379 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 178.1 | -175.5 | 64.2 | -156.8 | 0 | 0 | 111.4 | E220 V221 I281 | E220-E224 WeakPolarHBondContact O-CB 3.31Å; E220-E224 PolarHBondContact O-N 3.46Å; V221-E224 PolarHBondContact O-N 2.85Å; E224-I281 HydrophobicContact CG-CD1 4.29Å |
| 225 | Y | 95.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 31.5 Ų | 31.5 | 18% | 0.18 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 3.6 | 179.4 | -65.9 | -62.9 | 0 | 0 | 0 | 114.2 | V221 E223 L227 P273 E277 I281 | V221-Y225 HydrophobicContact CG1-CD2 3.86Å; V221-Y225 HydrophobicContact CG1-CE2 4.13Å; V221-Y225 WeakPolarHBondContact O-CD2 3.33Å; V221-Y225 PolarHBondContact O-N 3.18Å; V221-Y225 VanDerWaalsContact O-N 3.14Å; E223-Y225 VanDerWaalsContact C-N 3.34Å; E223-Y225 PolarHBondContact O-N 3.24Å; Y225-L227 VanDerWaalsContact C-N 3.25Å; Y225-L227 PolarHBondContact O-N 2.96Å; Y225-P273 HydrophobicContact CD1-CB 4.39Å; Y225-P273 HydrophobicContact CD1-CG 4.25Å; Y225-P273 HydrophobicContact CG-CG 4.04Å; Y225-E277 HydrophobicContact CE1-CB 3.89Å; Y225-E277 HydrophobicContact CE1-CG 4.17Å; Y225-E277 WeakPolarHBondContact CE1-OE2 3.35Å; Y225-E277 PolarHBondContact OH-O 3.42Å; Y225-E277 VanDerWaalsContact OH-O 3.08Å; Y225-E277 PolarHBondContact OH-OE2 2.88Å; Y225-E277 VanDerWaalsContact OH-OE2 3.04Å; Y225-I281 HydrophobicContact CE2-CB 4.01Å; Y225-I281 HydrophobicContact CE2-CD1 4.34Å; Y225-I281 HydrophobicContact CE2-CG1 4.08Å; Y225-I281 HydrophobicContact CE2-CG2 4.34Å |
| 226 | K | 95.8 | Very high | 97.3 | Very high | 178 Ų | 178 | 31.7 Ų | 31.7 | 77% | 0.774 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.2 | -179 | -55.3 | -179.4 | -178.5 | -179.8 | 0 | 113.5 | G222 E223 | G222-K226 CarbonylContact O-C 3.48Å; G222-K226 WeakPolarHBondContact O-CA 3.46Å; G222-K226 PolarHBondContact O-N 3.01Å; E223-K226 PolarHBondContact O-N 3.44Å |
| 227 | L | 96.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | trans | -69.6 | 157 | 178.8 | -54.9 | -178.2 | 0 | 0 | 0 | 111 | G222 Y225 T231 M261 E269 P273 | G222-L227 PolarHBondContact O-N 2.62Å; Y225-L227 VanDerWaalsContact C-N 3.25Å; Y225-L227 PolarHBondContact O-N 2.96Å; L227-T231 HydrophobicContact CB-CG2 4.34Å; L227-T231 HydrophobicContact CD1-CG2 4.1Å; L227-M261 HydrophobicContact CD1-CE 4.26Å; L227-M261 HydrophobicContact CD1-CG 4.26Å; L227-M261 HydrophobicContact CD1-SD 4.2Å; L227-E269 WeakPolarHBondContact CA-OE1 3.47Å; L227-E269 WeakPolarHBondContact CB-OE1 3.31Å; L227-E269 HydrophobicContact CD2-CG 4.11Å; L227-P273 HydrophobicContact CD2-CG 3.89Å | ||
| 228 | Q | 96.4 | Very high | 97.3 | Very high | 114 Ų | 114 | 31.4 Ų | 31.4 | 53% | 0.533 | 15% | 0.146 | S | C | . | . | trans | -63.1 | 148.4 | 170.6 | -63.5 | -58 | -46.7 | 0 | 0 | 110.9 | E230 T231 E269 | Q228-E230 HydrophobicContact CB-CB 4.38Å; Q228-E230 PolarHBondContact O-N 3.22Å; Q228-T231 VanDerWaalsContact O-CB 3.29Å; Q228-T231 WeakPolarHBondContact O-CB 3.2Å; Q228-T231 PolarHBondContact O-N 3.1Å; Q228-T231 VanDerWaalsContact O-N 3.15Å; Q228-E269 PolarHBondContact N-OE1 2.96Å | ||
| 229 | N | 95.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 10% | 0.096 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.5 | -38.6 | 171.2 | -73 | -4 | 0 | 0 | 0 | 110.5 | T231 L232 Y233 E337 K411 Y412 | N229-T231 VanDerWaalsContact C-N 3.27Å; N229-T231 PolarHBondContact O-N 2.67Å; N229-L232 WeakPolarHBondContact O-CB 3.39Å; N229-L232 PolarHBondContact O-N 2.94Å; N229-Y233 HydrophobicContact CB-CE2 4.43Å; N229-Y233 WeakPolarHBondContact O-CD2 3.49Å; N229-Y233 PolarHBondContact O-N 3.5Å; N229-Y233 VanDerWaalsContact O-N 3.11Å; N229-E337 VanDerWaalsContact CG-OE1 3.27Å; N229-E337 PolarHBondContact ND2-OE1 3.49Å; N229-E337 PolarHBondContact OD1-OE1 3.49Å; N229-K411 PolarHBondContact OD1-NZ 3.34Å; N229-Y412 PolarHBondContact ND2-OH 2.67Å |
| 230 | E | 97.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.8 | -43.2 | 177 | -169 | 62.6 | -155.9 | 0 | 0 | 112.4 | Q228 L232 Y233 L234 E268 T310 N312 Q313 | Q228-E230 HydrophobicContact CB-CB 4.38Å; Q228-E230 PolarHBondContact O-N 3.22Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 3.32Å; E230-Y233 PolarHBondContact O-N 2.79Å; E230-Y233 VanDerWaalsContact O-N 3.12Å; E230-L234 HydrophobicContact CG-CD1 4.26Å; E230-L234 WeakPolarHBondContact O-CG 3.4Å; E230-L234 PolarHBondContact O-N 2.85Å; E230-E268 HydrophobicContact CB-CG 3.94Å; E230-E268 HydrophobicContact CG-CG 3.89Å; E230-T310 WeakPolarHBondContact OE1-CB 3.32Å; E230-T310 WeakPolarHBondContact OE1-CG2 3.42Å; E230-T310 PolarHBondContact OE1-OG1 3.29Å; E230-T310 PolarHBondContact OE2-OG1 3.26Å; E230-N312 WeakPolarHBondContact OE2-CB 3.17Å; E230-N312 PolarHBondContact OE2-ND2 3.08Å; E230-Q313 WeakPolarHBondContact OE1-CG 3.42Å; E230-Q313 PolarHBondContact OE1-NE2 3.2Å |
| 231 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 176 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | L227 Q228 N229 A235 M261 A264 S265 E269 | L227-T231 HydrophobicContact CB-CG2 4.34Å; L227-T231 HydrophobicContact CD1-CG2 4.1Å; Q228-T231 VanDerWaalsContact O-CB 3.29Å; Q228-T231 WeakPolarHBondContact O-CB 3.2Å; Q228-T231 PolarHBondContact O-N 3.1Å; Q228-T231 VanDerWaalsContact O-N 3.15Å; N229-T231 VanDerWaalsContact C-N 3.27Å; N229-T231 PolarHBondContact O-N 2.67Å; T231-A235 WeakPolarHBondContact O-CB 3.21Å; T231-A235 PolarHBondContact O-N 3.43Å; T231-M261 HydrophobicContact CG2-SD 4.2Å; T231-A264 HydrophobicContact CG2-CB 3.84Å; T231-A264 VanDerWaalsContact O-CB 3.23Å; T231-A264 WeakPolarHBondContact O-CB 3.26Å; T231-S265 WeakPolarHBondContact CG2-OG 3.28Å; T231-E269 WeakPolarHBondContact CB-OE1 3.21Å; T231-E269 PolarHBondContact OG1-OE1 3.24Å |
| 232 | L | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 175.4 | 175.3 | 68.3 | 0 | 0 | 0 | 111.6 | L218 V219 N229 E230 L234 A235 V236 M261 E337 L340 | L218-L232 HydrophobicContact CB-CD1 3.92Å; V219-L232 HydrophobicContact CG2-CD1 4.35Å; V219-L232 HydrophobicContact CG2-CD2 3.72Å; N229-L232 WeakPolarHBondContact O-CB 3.39Å; N229-L232 PolarHBondContact O-N 2.94Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 3.32Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L232-L234 PolarHBondContact O-N 3.32Å; L232-A235 PolarHBondContact O-N 3.42Å; L232-V236 HydrophobicContact CD1-CG2 4.34Å; L232-V236 WeakPolarHBondContact O-CG2 3.47Å; L232-V236 PolarHBondContact O-N 3.1Å; L232-M261 HydrophobicContact CD1-CE 4.1Å; L232-E337 HydrophobicContact CD2-CG 4.48Å; L232-L340 HydrophobicContact CD2-CD1 4.19Å; L232-L340 HydrophobicContact CG-CD1 4.17Å |
| 233 | Y | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.9 | -79.3 | -84.2 | 0 | 0 | 0 | 111.9 | N229 E230 V236 N237 I311 N312 G336 E337 L340 | N229-Y233 HydrophobicContact CB-CE2 4.43Å; N229-Y233 WeakPolarHBondContact O-CD2 3.49Å; N229-Y233 PolarHBondContact O-N 3.5Å; N229-Y233 VanDerWaalsContact O-N 3.11Å; E230-Y233 PolarHBondContact O-N 2.79Å; E230-Y233 VanDerWaalsContact O-N 3.12Å; Y233-V236 PolarHBondContact O-N 3.3Å; Y233-N237 PolarHBondContact O-N 3.48Å; Y233-I311 HydrophobicContact CD1-CB 4.01Å; Y233-I311 HydrophobicContact CD1-CD1 4.3Å; Y233-I311 HydrophobicContact CD1-CG1 4.39Å; Y233-I311 HydrophobicContact CE1-CB 3.57Å; Y233-I311 HydrophobicContact CE1-CD1 3.84Å; Y233-I311 HydrophobicContact CE1-CG1 4.13Å; Y233-I311 HydrophobicContact CE1-CG2 4.23Å; Y233-N312 HydrophobicContact CD2-CB 3.64Å; Y233-N312 HydrophobicContact CE2-CB 3.69Å; Y233-N312 HydrophobicContact CG-CB 4.28Å; Y233-G336 WeakPolarHBondContact OH-CA 3.35Å; Y233-E337 HydrophobicContact CE2-CG 3.99Å; Y233-E337 WeakPolarHBondContact OH-CG 3.37Å; Y233-E337 PolarHBondContact OH-N 3.34Å; Y233-L340 HydrophobicContact CD1-CD1 3.66Å; Y233-L340 HydrophobicContact CD1-CD2 3.64Å; Y233-L340 HydrophobicContact CD1-CG 4.05Å; Y233-L340 HydrophobicContact CD2-CD1 4.46Å; Y233-L340 HydrophobicContact CE1-CD1 3.61Å; Y233-L340 HydrophobicContact CE1-CD2 3.73Å; Y233-L340 HydrophobicContact CE1-CG 3.79Å; Y233-L340 HydrophobicContact CE2-CD1 4.43Å; Y233-L340 HydrophobicContact CG-CD1 4.08Å |
| 234 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 175.5 | -72.4 | 174.5 | 0 | 0 | 0 | 111.5 | E230 L232 V236 N237 Y238 A264 F267 E268 A308 T310 | E230-L234 HydrophobicContact CG-CD1 4.26Å; E230-L234 WeakPolarHBondContact O-CG 3.4Å; E230-L234 PolarHBondContact O-N 2.85Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L232-L234 PolarHBondContact O-N 3.32Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 3.02Å; L234-N237 WeakPolarHBondContact O-CB 3.36Å; L234-N237 PolarHBondContact O-N 3.37Å; L234-N237 VanDerWaalsContact O-N 3.14Å; L234-Y238 HydrophobicContact CB-CE1 4.37Å; L234-Y238 HydrophobicContact CB-CE2 4.21Å; L234-Y238 HydrophobicContact CD2-CE1 4.36Å; L234-Y238 VanDerWaalsContact O-CD1 3.23Å; L234-Y238 WeakPolarHBondContact O-CD1 3.22Å; L234-Y238 WeakPolarHBondContact O-CD2 3.43Å; L234-Y238 PolarHBondContact O-N 3.44Å; L234-A264 HydrophobicContact CB-CB 3.9Å; L234-F267 HydrophobicContact CD1-CD1 3.75Å; L234-F267 HydrophobicContact CD1-CE1 4.25Å; L234-E268 HydrophobicContact CD1-CB 4.18Å; L234-E268 HydrophobicContact CD1-CG 4.49Å; L234-A308 HydrophobicContact CD2-CB 4.39Å; L234-A308 WeakPolarHBondContact CD2-O 3.28Å; L234-T310 HydrophobicContact CD2-CG2 3.82Å; L234-T310 HydrophobicContact CG-CG2 4.09Å |
| 235 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T231 L232 Y238 I239 M261 A264 | T231-A235 WeakPolarHBondContact O-CB 3.21Å; T231-A235 PolarHBondContact O-N 3.43Å; L232-A235 PolarHBondContact O-N 3.42Å; A235-Y238 PolarHBondContact O-N 2.72Å; A235-I239 WeakPolarHBondContact O-CD1 3.42Å; A235-I239 VanDerWaalsContact O-CG1 3.23Å; A235-I239 WeakPolarHBondContact O-CG1 3.27Å; A235-I239 PolarHBondContact O-N 2.6Å; A235-M261 HydrophobicContact CB-CB 4.39Å; A235-M261 HydrophobicContact CB-SD 3.68Å; A235-A264 HydrophobicContact CB-CB 3.92Å |
| 236 | V | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.024 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 176.5 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | R211 V215 L232 Y233 L234 Y238 I239 D240 L340 | R211-V236 VanDerWaalsContact NH2-CG1 3.28Å; V215-V236 HydrophobicContact CG1-CG2 4.01Å; V215-V236 HydrophobicContact CG2-CG2 4.19Å; L232-V236 HydrophobicContact CD1-CG2 4.34Å; L232-V236 WeakPolarHBondContact O-CG2 3.47Å; L232-V236 PolarHBondContact O-N 3.1Å; Y233-V236 PolarHBondContact O-N 3.3Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 3.02Å; V236-Y238 VanDerWaalsContact C-N 3.32Å; V236-Y238 PolarHBondContact O-N 3.31Å; V236-I239 PolarHBondContact O-N 2.69Å; V236-D240 PolarHBondContact O-N 3.46Å; V236-L340 HydrophobicContact CB-CD2 4.46Å; V236-L340 HydrophobicContact CG1-CB 4.49Å; V236-L340 HydrophobicContact CG1-CD2 4.16Å; V236-L340 HydrophobicContact CG2-CB 4.48Å; V236-L340 HydrophobicContact CG2-CD1 4.36Å |
| 237 | N | 98.5 | Very high | 97.8 | Very high | 21 Ų | 21 | 15.5 Ų | 15.5 | 11% | 0.112 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 173.7 | -179.4 | -88.9 | 0 | 0 | 0 | 111.9 | T193 Y233 L234 D240 R241 A308 | T193-N237 PolarHBondContact O-ND2 2.89Å; Y233-N237 PolarHBondContact O-N 3.48Å; L234-N237 WeakPolarHBondContact O-CB 3.36Å; L234-N237 PolarHBondContact O-N 3.37Å; L234-N237 VanDerWaalsContact O-N 3.14Å; N237-D240 PolarHBondContact O-N 3.29Å; N237-R241 WeakPolarHBondContact O-CB 3.37Å; N237-R241 WeakPolarHBondContact O-CG 3.41Å; N237-R241 PolarHBondContact O-N 2.84Å; N237-R241 WeakPolarHBondContact OD1-CD 3.37Å; N237-R241 PolarHBondContact OD1-NH1 2.91Å; N237-A308 HydrophobicContact CB-CB 4.42Å; N237-A308 WeakPolarHBondContact OD1-CB 3.21Å |
| 238 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.4 | -58.8 | -14.5 | 0 | 0 | 0 | 111.5 | L234 A235 V236 F242 L263 A264 L302 L306 | L234-Y238 HydrophobicContact CB-CE1 4.37Å; L234-Y238 HydrophobicContact CB-CE2 4.21Å; L234-Y238 HydrophobicContact CD2-CE1 4.36Å; L234-Y238 VanDerWaalsContact O-CD1 3.23Å; L234-Y238 WeakPolarHBondContact O-CD1 3.22Å; L234-Y238 WeakPolarHBondContact O-CD2 3.43Å; L234-Y238 PolarHBondContact O-N 3.44Å; A235-Y238 PolarHBondContact O-N 2.72Å; V236-Y238 VanDerWaalsContact C-N 3.32Å; V236-Y238 PolarHBondContact O-N 3.31Å; Y238-F242 WeakPolarHBondContact O-CB 3.16Å; Y238-F242 PolarHBondContact O-N 3.39Å; Y238-L263 HydrophobicContact CD2-CB 4.23Å; Y238-L263 HydrophobicContact CE2-CB 4.21Å; Y238-A264 HydrophobicContact CD2-CB 4.35Å; Y238-A264 HydrophobicContact CE2-CB 3.86Å; Y238-L302 HydrophobicContact CD1-CD1 3.99Å; Y238-L302 HydrophobicContact CG-CD1 4Å; Y238-L306 HydrophobicContact CD1-CD2 4.38Å; Y238-L306 HydrophobicContact CE1-CB 4.29Å; Y238-L306 HydrophobicContact CE1-CD2 4.02Å; Y238-L306 VanDerWaalsContact CE1-O 3.28Å; Y238-L306 WeakPolarHBondContact CE1-O 3.47Å; Y238-L306 HydrophobicContact CE2-CD2 4.16Å; Y238-L306 PolarHBondContact OH-O 3.44Å |
| 239 | I | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.2 | -51.7 | 176.2 | -68.3 | 160.9 | 0 | 0 | 0 | 110.1 | L214 L218 A235 V236 R241 F242 L243 A260 | L214-I239 HydrophobicContact CD2-CD1 4.12Å; L214-I239 HydrophobicContact CD2-CG2 4.35Å; L218-I239 HydrophobicContact CD1-CD1 3.43Å; L218-I239 VanDerWaalsContact CD1-CD1 3.43Å; A235-I239 WeakPolarHBondContact O-CD1 3.42Å; A235-I239 VanDerWaalsContact O-CG1 3.23Å; A235-I239 WeakPolarHBondContact O-CG1 3.27Å; A235-I239 PolarHBondContact O-N 2.6Å; V236-I239 PolarHBondContact O-N 2.69Å; I239-R241 PolarHBondContact O-N 3.2Å; I239-F242 PolarHBondContact O-N 2.94Å; I239-L243 HydrophobicContact CG2-CD1 3.73Å; I239-L243 HydrophobicContact CG2-CG 4.29Å; I239-L243 WeakPolarHBondContact O-CB 3.37Å; I239-L243 VanDerWaalsContact O-CG 3.27Å; I239-L243 WeakPolarHBondContact O-CG 3.5Å; I239-L243 PolarHBondContact O-N 3Å; I239-A260 HydrophobicContact CD1-CB 4.14Å; I239-A260 HydrophobicContact CG1-CB 3.54Å |
| 240 | D | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 3% | 0.032 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | -175.8 | -73 | -37.9 | 0 | 0 | 0 | 112.8 | P195 Y199 R211 V236 N237 S244 L347 | P195-D240 HydrophobicContact CB-CB 3.59Å; P195-D240 HydrophobicContact CG-CB 3.44Å; P195-D240 VanDerWaalsContact CG-CB 3.44Å; Y199-D240 HydrophobicContact CE1-CB 4.01Å; Y199-D240 PolarHBondContact OH-OD1 2.9Å; R211-D240 IonicContact CZ-OD1 2.71Å; R211-D240 IonicContact CZ-OD2 3.67Å; R211-D240 IonicContact NE-OD1 2.71Å; R211-D240 PolarHBondContact NE-OD1 2.98Å; R211-D240 IonicContact NE-OD2 3.24Å; R211-D240 IonicContact NH2-OD1 2.93Å; R211-D240 PolarHBondContact NH2-OD1 3.47Å; R211-D240 IonicContact NH2-OD2 3.41Å; R211-D240 PolarHBondContact NH2-OD2 2.9Å; V236-D240 PolarHBondContact O-N 3.46Å; N237-D240 PolarHBondContact O-N 3.29Å; D240-S244 WeakPolarHBondContact O-CB 3.31Å; D240-S244 PolarHBondContact O-N 3.23Å; D240-S244 PolarHBondContact O-OG 2.91Å; D240-L347 HydrophobicContact CB-CD2 4.47Å |
| 241 | R | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 18.7 Ų | 18.7 | 11% | 0.109 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.9 | -37.9 | 174.7 | -72.7 | 166 | 66.3 | -158.8 | -4.5 | 112 | T193 P195 N237 I239 S244 L302 D305 | T193-R241 WeakPolarHBondContact O-CD 3.32Å; P195-R241 HydrophobicContact CB-CG 4.49Å; P195-R241 HydrophobicContact CG-CG 4.1Å; N237-R241 WeakPolarHBondContact O-CB 3.37Å; N237-R241 WeakPolarHBondContact O-CG 3.41Å; N237-R241 PolarHBondContact O-N 2.84Å; N237-R241 WeakPolarHBondContact OD1-CD 3.37Å; N237-R241 PolarHBondContact OD1-NH1 2.91Å; I239-R241 PolarHBondContact O-N 3.2Å; R241-S244 WeakPolarHBondContact O-CB 3.28Å; R241-S244 PolarHBondContact O-N 2.76Å; R241-L302 HydrophobicContact CB-CD2 3.48Å; R241-L302 VanDerWaalsContact CB-CD2 3.48Å; R241-D305 VanDerWaalsContact CZ-O 3.26Å; R241-D305 PolarHBondContact NH1-O 3.49Å; R241-D305 PolarHBondContact NH2-O 3.28Å |
| 242 | F | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -50.4 | 175 | -176.5 | -94.1 | 0 | 0 | 0 | 111 | Y238 I239 S244 S245 M246 V248 V256 M294 L297 V298 V301 | Y238-F242 WeakPolarHBondContact O-CB 3.16Å; Y238-F242 PolarHBondContact O-N 3.39Å; I239-F242 PolarHBondContact O-N 2.94Å; F242-S244 PolarHBondContact O-N 2.98Å; F242-S245 PolarHBondContact O-N 2.95Å; F242-M246 HydrophobicContact CD1-CB 4.21Å; F242-M246 HydrophobicContact CD2-CG 4.29Å; F242-M246 HydrophobicContact CE1-CB 3.8Å; F242-M246 HydrophobicContact CE1-CG 4.18Å; F242-M246 HydrophobicContact CE2-CB 4.4Å; F242-M246 HydrophobicContact CE2-CG 3.87Å; F242-M246 HydrophobicContact CZ-CB 3.92Å; F242-M246 HydrophobicContact CZ-CG 3.81Å; F242-M246 PolarHBondContact O-N 2.95Å; F242-V248 HydrophobicContact CD1-CG2 4.33Å; F242-V248 HydrophobicContact CE1-CG2 3.75Å; F242-V256 HydrophobicContact CD1-CG1 3.64Å; F242-V256 HydrophobicContact CD1-CG2 4.22Å; F242-V256 HydrophobicContact CE1-CG1 4.01Å; F242-V256 HydrophobicContact CE1-CG2 3.74Å; F242-V256 HydrophobicContact CG-CG1 4.32Å; F242-M294 HydrophobicContact CZ-SD 4.16Å; F242-L297 HydrophobicContact CE2-CD2 4.44Å; F242-L297 HydrophobicContact CE2-CG 4.07Å; F242-L297 HydrophobicContact CZ-CD2 4.1Å; F242-L297 HydrophobicContact CZ-CG 4.23Å; F242-V298 HydrophobicContact CD2-CB 4.26Å; F242-V298 HydrophobicContact CD2-CG1 4.43Å; F242-V298 HydrophobicContact CD2-CG2 3.82Å; F242-V298 HydrophobicContact CE2-CB 4.46Å; F242-V298 HydrophobicContact CE2-CG2 3.87Å; F242-V298 HydrophobicContact CG-CG2 4.37Å; F242-V298 HydrophobicContact CZ-CG2 4.46Å; F242-V301 HydrophobicContact CD2-CB 3.85Å; F242-V301 HydrophobicContact CD2-CG1 3.82Å; F242-V301 HydrophobicContact CD2-CG2 4.14Å; F242-V301 HydrophobicContact CE2-CB 4.01Å; F242-V301 HydrophobicContact CE2-CG1 4.29Å; F242-V301 HydrophobicContact CE2-CG2 3.79Å |
| 243 | L | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.8 | -16.8 | 177.2 | -63.7 | 178.7 | 0 | 0 | 0 | 113.3 | Y199 Q203 I206 I239 S245 V248 L253 | Y199-L243 HydrophobicContact CD2-CB 3.77Å; Y199-L243 WeakPolarHBondContact CD2-O 3.23Å; Y199-L243 HydrophobicContact CE2-CB 3.47Å; Y199-L243 VanDerWaalsContact CE2-CB 3.47Å; Y199-L243 HydrophobicContact CE2-CD1 3.99Å; Y199-L243 HydrophobicContact CE2-CG 4.39Å; Q203-L243 PolarHBondContact NE2-O 3.06Å; I206-L243 HydrophobicContact CD1-CD1 3.97Å; I206-L243 HydrophobicContact CD1-CD2 3.85Å; I206-L243 HydrophobicContact CD1-CG 4.48Å; I239-L243 HydrophobicContact CG2-CD1 3.73Å; I239-L243 HydrophobicContact CG2-CG 4.29Å; I239-L243 WeakPolarHBondContact O-CB 3.37Å; I239-L243 VanDerWaalsContact O-CG 3.27Å; I239-L243 WeakPolarHBondContact O-CG 3.5Å; I239-L243 PolarHBondContact O-N 3Å; L243-S245 PolarHBondContact O-N 2.87Å; L243-V248 HydrophobicContact CD2-CB 3.85Å; L243-V248 HydrophobicContact CD2-CG2 3.53Å; L243-L253 HydrophobicContact CD1-CD1 4.09Å; L243-L253 HydrophobicContact CD2-CD1 4.4Å |
| 244 | S | 97.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 5% | 0.049 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15.6 | 170.7 | -67.3 | 0 | 0 | 0 | 0 | 114 | K196 Y199 D240 R241 F242 | K196-S244 PolarHBondContact N-OG 3.17Å; K196-S244 PolarHBondContact NZ-O 3.15Å; Y199-S244 WeakPolarHBondContact CD1-OG 3.29Å; D240-S244 WeakPolarHBondContact O-CB 3.31Å; D240-S244 PolarHBondContact O-N 3.23Å; D240-S244 PolarHBondContact O-OG 2.91Å; R241-S244 WeakPolarHBondContact O-CB 3.28Å; R241-S244 PolarHBondContact O-N 2.76Å; F242-S244 PolarHBondContact O-N 2.98Å |
| 245 | S | 96.1 | Very high | 97.5 | Very high | 55 Ų | 55 | 21.5 Ų | 21.5 | 39% | 0.385 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -29.9 | -174.4 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | F242 L243 | F242-S245 PolarHBondContact O-N 2.95Å; L243-S245 PolarHBondContact O-N 2.87Å |
| 246 | M | 96.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -113.7 | 137.2 | -176.8 | -62.7 | -61.1 | -69.8 | 0 | 0 | 111.4 | H102 Q203 F242 V301 | H102-M246 HydrophobicContact CB-CE 4.24Å; Q203-M246 PolarHBondContact NE2-O 2.65Å; F242-M246 HydrophobicContact CD1-CB 4.21Å; F242-M246 HydrophobicContact CD2-CG 4.29Å; F242-M246 HydrophobicContact CE1-CB 3.8Å; F242-M246 HydrophobicContact CE1-CG 4.18Å; F242-M246 HydrophobicContact CE2-CB 4.4Å; F242-M246 HydrophobicContact CE2-CG 3.87Å; F242-M246 HydrophobicContact CZ-CB 3.92Å; F242-M246 HydrophobicContact CZ-CG 3.81Å; F242-M246 PolarHBondContact O-N 2.95Å; M246-V301 HydrophobicContact CG-CG1 4.01Å; M246-V301 HydrophobicContact CG-CG2 3.72Å; M246-V301 HydrophobicContact SD-CG2 3.92Å |
| 247 | S | 96.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 5% | 0.049 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -82.9 | 131 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | P204 | P204-S247 WeakPolarHBondContact CD-OG 3.34Å; P204-S247 WeakPolarHBondContact CG-OG 3.21Å |
| 248 | V | 96.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 7% | 0.067 | 12% | 0.115 | C | C | . | . | trans | -126.2 | 136.3 | -176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | F242 L243 K252 V256 | F242-V248 HydrophobicContact CD1-CG2 4.33Å; F242-V248 HydrophobicContact CE1-CG2 3.75Å; L243-V248 HydrophobicContact CD2-CB 3.85Å; L243-V248 HydrophobicContact CD2-CG2 3.53Å; V248-K252 HydrophobicContact CG1-CB 4.04Å; V248-V256 HydrophobicContact CG1-CG2 4.14Å; V248-V256 HydrophobicContact CG2-CG2 4.21Å | ||
| 249 | L | 96.7 | Very high | 97.5 | Very high | 85 Ų | 85 | 20.4 Ų | 20.4 | 45% | 0.445 | 12% | 0.115 | S | C | . | . | trans | -81.1 | 149 | 171.9 | -60.9 | 178.5 | 0 | 0 | 0 | 110.2 | D205 G251 K252 L253 | D205-L249 HydrophobicContact CB-CD2 3.88Å; D205-L249 WeakPolarHBondContact OD2-CA 3.5Å; L249-G251 PolarHBondContact O-N 2.95Å; L249-G251 VanDerWaalsContact O-N 3.09Å; L249-K252 PolarHBondContact O-N 3.47Å; L249-L253 PolarHBondContact O-N 3.43Å | ||
| 250 | R | 95.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 20.3 Ų | 20.3 | 29% | 0.287 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -53.8 | -37 | -176.4 | 70 | -175.5 | 74.6 | -158.6 | -0.1 | 113.5 | L55 N57 D205 I206 M210 K252 L253 | L55-R250 WeakPolarHBondContact O-CD 3.45Å; N57-R250 PolarHBondContact OD1-NH1 3.31Å; D205-R250 IonicContact OD1-CZ 2.76Å; D205-R250 VanDerWaalsContact OD1-CZ 3.24Å; D205-R250 IonicContact OD1-NE 3.43Å; D205-R250 PolarHBondContact OD1-NE 2.91Å; D205-R250 IonicContact OD1-NH2 2.92Å; D205-R250 PolarHBondContact OD1-NH2 3.35Å; D205-R250 WeakPolarHBondContact OD2-CG 3.31Å; D205-R250 PolarHBondContact OD2-N 3.16Å; D205-R250 IonicContact OD2-NE 2.77Å; D205-R250 PolarHBondContact OD2-NE 3.4Å; I206-R250 HydrophobicContact CG2-CB 4.16Å; M210-R250 HydrophobicContact CE-CB 4.27Å; M210-R250 HydrophobicContact SD-CB 4.01Å; R250-K252 PolarHBondContact O-N 3.5Å; R250-L253 WeakPolarHBondContact O-CB 3.32Å; R250-L253 PolarHBondContact O-N 2.96Å |
| 251 | G | 94.3 | Very high | 97.5 | Very high | 51 Ų | 51 | 20.1 Ų | 20.1 | 53% | 0.526 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -70.3 | -9.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L249 Y286 | L249-G251 PolarHBondContact O-N 2.95Å; L249-G251 VanDerWaalsContact O-N 3.09Å; G251-Y286 PolarHBondContact O-OH 2.87Å |
| 252 | K | 96.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 18.7 Ų | 18.7 | 26% | 0.261 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -111.5 | -3.4 | 176.4 | -61 | -61.5 | -166.3 | 167.5 | 0 | 112.6 | D104 V248 L249 R250 L255 V256 | D104-K252 WeakPolarHBondContact OD2-CE 3.35Å; D104-K252 IonicContact OD2-NZ 3.79Å; D104-K252 PolarHBondContact OD2-NZ 3.37Å; V248-K252 HydrophobicContact CG1-CB 4.04Å; L249-K252 PolarHBondContact O-N 3.47Å; R250-K252 PolarHBondContact O-N 3.5Å; K252-L255 HydrophobicContact CD-CD2 4.33Å; K252-L255 WeakPolarHBondContact O-CB 3.14Å; K252-L255 PolarHBondContact O-N 2.96Å; K252-V256 WeakPolarHBondContact O-CG2 3.41Å; K252-V256 PolarHBondContact O-N 3.08Å; K252-V256 VanDerWaalsContact O-N 3.11Å |
| 253 | L | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | -177.3 | -178.1 | 57.8 | 0 | 0 | 0 | 111.8 | L55 I206 M210 L214 L243 L249 R250 L255 V256 G257 | L55-L253 HydrophobicContact CD1-CB 3.96Å; L55-L253 HydrophobicContact CD1-CD2 3.79Å; L55-L253 HydrophobicContact CD1-CG 4.21Å; I206-L253 HydrophobicContact CB-CD2 4.43Å; I206-L253 HydrophobicContact CD1-CD1 4.26Å; I206-L253 HydrophobicContact CG2-CB 4.48Å; I206-L253 HydrophobicContact CG2-CD2 4.11Å; M210-L253 HydrophobicContact CB-CD2 3.92Å; L214-L253 HydrophobicContact CD2-CD1 3.95Å; L214-L253 HydrophobicContact CD2-CG 3.99Å; L243-L253 HydrophobicContact CD1-CD1 4.09Å; L243-L253 HydrophobicContact CD2-CD1 4.4Å; L249-L253 PolarHBondContact O-N 3.43Å; R250-L253 WeakPolarHBondContact O-CB 3.32Å; R250-L253 PolarHBondContact O-N 2.96Å; L253-L255 PolarHBondContact O-N 3.37Å; L253-V256 PolarHBondContact O-N 2.9Å; L253-G257 PolarHBondContact O-N 2.78Å |
| 254 | Q | 98.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 6% | 0.056 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.5 | -171.9 | -170 | 21.8 | 0 | 0 | 111.3 | L52 W217 V256 G257 T258 Y286 | L52-Q254 HydrophobicContact CB-CG 4.36Å; L52-Q254 VanDerWaalsContact CB-NE2 3.33Å; L52-Q254 HydrophobicContact CD2-CB 4.09Å; L52-Q254 HydrophobicContact CD2-CG 3.94Å; W217-Q254 HydrophobicContact CH2-CG 4.13Å; W217-Q254 HydrophobicContact CZ3-CG 4.05Å; Q254-V256 VanDerWaalsContact C-N 3.29Å; Q254-V256 PolarHBondContact O-N 3.15Å; Q254-G257 CarbonylContact O-C 3.26Å; Q254-G257 WeakPolarHBondContact O-CA 3.4Å; Q254-G257 PolarHBondContact O-N 3.23Å; Q254-T258 PolarHBondContact O-N 3.2Å; Q254-T258 PolarHBondContact O-OG1 2.82Å; Q254-Y286 HydrophobicContact CB-CE2 3.91Å; Q254-Y286 HydrophobicContact CG-CE2 4.07Å |
| 255 | L | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.3 | -40.7 | 176.1 | -179.3 | 59.1 | 0 | 0 | 0 | 112.7 | K252 L253 A259 Y286 Q290 V291 M294 | K252-L255 HydrophobicContact CD-CD2 4.33Å; K252-L255 WeakPolarHBondContact O-CB 3.14Å; K252-L255 PolarHBondContact O-N 2.96Å; L253-L255 PolarHBondContact O-N 3.37Å; L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.02Å; L255-Y286 HydrophobicContact CB-CD1 4.07Å; L255-Y286 HydrophobicContact CB-CD2 4.05Å; L255-Y286 HydrophobicContact CB-CE1 3.78Å; L255-Y286 HydrophobicContact CB-CE2 3.75Å; L255-Y286 HydrophobicContact CB-CG 4.18Å; L255-Y286 HydrophobicContact CD1-CD1 4.18Å; L255-Y286 HydrophobicContact CD1-CD2 4.07Å; L255-Y286 HydrophobicContact CD1-CG 3.81Å; L255-Y286 HydrophobicContact CD2-CD1 4.16Å; L255-Y286 HydrophobicContact CD2-CE1 4.35Å; L255-Y286 HydrophobicContact CG-CD1 4.36Å; L255-Y286 HydrophobicContact CG-CG 4.41Å; L255-Y286 PolarHBondContact N-OH 3.29Å; L255-Q290 HydrophobicContact CD1-CB 4.42Å; L255-Q290 HydrophobicContact CD2-CB 4.3Å; L255-V291 HydrophobicContact CD1-CG2 3.99Å; L255-M294 HydrophobicContact CD1-CB 4.15Å; L255-M294 HydrophobicContact CD2-CB 4.25Å; L255-M294 HydrophobicContact CD2-CE 3.79Å; L255-M294 HydrophobicContact CG-CB 3.88Å; L255-M294 HydrophobicContact CG-CE 3.95Å; L255-M294 HydrophobicContact CG-CG 4.01Å |
| 256 | V | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 174 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | F242 V248 K252 L253 Q254 A259 A260 M294 | F242-V256 HydrophobicContact CD1-CG1 3.64Å; F242-V256 HydrophobicContact CD1-CG2 4.22Å; F242-V256 HydrophobicContact CE1-CG1 4.01Å; F242-V256 HydrophobicContact CE1-CG2 3.74Å; F242-V256 HydrophobicContact CG-CG1 4.32Å; V248-V256 HydrophobicContact CG1-CG2 4.14Å; V248-V256 HydrophobicContact CG2-CG2 4.21Å; K252-V256 WeakPolarHBondContact O-CG2 3.41Å; K252-V256 PolarHBondContact O-N 3.08Å; K252-V256 VanDerWaalsContact O-N 3.11Å; L253-V256 PolarHBondContact O-N 2.9Å; Q254-V256 VanDerWaalsContact C-N 3.29Å; Q254-V256 PolarHBondContact O-N 3.15Å; V256-A259 PolarHBondContact O-N 3.47Å; V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 2.85Å; V256-M294 HydrophobicContact CG2-CE 3.85Å; V256-M294 HydrophobicContact CG2-SD 3.84Å |
| 257 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L253 Q254 A259 A260 M261 | L253-G257 PolarHBondContact O-N 2.78Å; Q254-G257 CarbonylContact O-C 3.26Å; Q254-G257 WeakPolarHBondContact O-CA 3.4Å; Q254-G257 PolarHBondContact O-N 3.23Å; G257-A259 PolarHBondContact O-N 3.34Å; G257-A260 PolarHBondContact O-N 3.46Å; G257-M261 WeakPolarHBondContact O-CB 3.46Å; G257-M261 PolarHBondContact O-N 3.45Å |
| 258 | T | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 176 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | Q254 M261 L262 F278 T282 V291 | Q254-T258 PolarHBondContact O-N 3.2Å; Q254-T258 PolarHBondContact O-OG1 2.82Å; T258-M261 PolarHBondContact O-N 3.03Å; T258-L262 WeakPolarHBondContact O-CB 3.42Å; T258-L262 PolarHBondContact O-N 2.91Å; T258-F278 HydrophobicContact CG2-CB 3.8Å; T258-F278 HydrophobicContact CG2-CD1 4Å; T258-F278 HydrophobicContact CG2-CG 4.33Å; T258-T282 HydrophobicContact CG2-CG2 3.89Å; T258-T282 WeakPolarHBondContact OG1-CG2 2.98Å; T258-V291 HydrophobicContact CG2-CG1 4.43Å; T258-V291 HydrophobicContact CG2-CG2 4.44Å |
| 259 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L255 V256 G257 L262 L263 M294 V298 | L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.02Å; V256-A259 PolarHBondContact O-N 3.47Å; G257-A259 PolarHBondContact O-N 3.34Å; A259-L262 PolarHBondContact O-N 3.19Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.14Å; A259-M294 HydrophobicContact CB-CB 3.84Å; A259-M294 HydrophobicContact CB-CG 3.47Å; A259-M294 VanDerWaalsContact CB-CG 3.47Å; A259-V298 HydrophobicContact CB-CG2 4.45Å |
| 260 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I239 V256 G257 L263 A264 | I239-A260 HydrophobicContact CD1-CB 4.14Å; I239-A260 HydrophobicContact CG1-CB 3.54Å; V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 2.85Å; G257-A260 PolarHBondContact O-N 3.46Å; A260-L263 PolarHBondContact O-N 2.85Å; A260-A264 WeakPolarHBondContact O-CB 3.23Å; A260-A264 PolarHBondContact O-N 3.17Å |
| 261 | M | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.8 | -166.3 | 66.9 | 119.5 | 0 | 0 | 111.5 | L218 V221 L227 T231 L232 A235 G257 T258 L263 A264 S265 F278 | L218-M261 HydrophobicContact CB-CE 3.94Å; L218-M261 HydrophobicContact CD2-CB 4.01Å; L218-M261 HydrophobicContact CD2-CE 4.06Å; L218-M261 HydrophobicContact CD2-CG 4.31Å; L218-M261 WeakPolarHBondContact O-CE 3.19Å; V221-M261 HydrophobicContact CB-CE 4.45Å; V221-M261 HydrophobicContact CG1-CE 4.44Å; L227-M261 HydrophobicContact CD1-CE 4.26Å; L227-M261 HydrophobicContact CD1-CG 4.26Å; L227-M261 HydrophobicContact CD1-SD 4.2Å; T231-M261 HydrophobicContact CG2-SD 4.2Å; L232-M261 HydrophobicContact CD1-CE 4.1Å; A235-M261 HydrophobicContact CB-CB 4.39Å; A235-M261 HydrophobicContact CB-SD 3.68Å; G257-M261 WeakPolarHBondContact O-CB 3.46Å; G257-M261 PolarHBondContact O-N 3.45Å; T258-M261 PolarHBondContact O-N 3.03Å; M261-L263 VanDerWaalsContact C-N 3.32Å; M261-L263 PolarHBondContact O-N 2.54Å; M261-A264 PolarHBondContact O-N 3.19Å; M261-S265 WeakPolarHBondContact O-CB 3.44Å; M261-S265 PolarHBondContact O-N 3.46Å; M261-S265 PolarHBondContact O-OG 2.83Å; M261-S265 VanDerWaalsContact O-OG 3.05Å; M261-F278 HydrophobicContact CB-CE1 3.83Å; M261-F278 HydrophobicContact CG-CE1 3.69Å; M261-F278 HydrophobicContact CG-CZ 4.18Å |
| 262 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57 | -44.8 | 173.4 | 173.7 | 63.9 | 0 | 0 | 0 | 112 | T258 A259 S265 K266 V275 F278 V291 E295 | T258-L262 WeakPolarHBondContact O-CB 3.42Å; T258-L262 PolarHBondContact O-N 2.91Å; A259-L262 PolarHBondContact O-N 3.19Å; L262-S265 PolarHBondContact O-N 2.97Å; L262-K266 HydrophobicContact CD1-CD 4.39Å; L262-K266 HydrophobicContact CD1-CG 4.47Å; L262-K266 HydrophobicContact CG-CD 4.44Å; L262-K266 WeakPolarHBondContact O-CG 3.4Å; L262-K266 PolarHBondContact O-N 2.86Å; L262-V275 HydrophobicContact CD1-CG2 4.34Å; L262-V275 HydrophobicContact CD2-CG1 4.49Å; L262-V275 HydrophobicContact CD2-CG2 4.19Å; L262-F278 HydrophobicContact CB-CD1 4.47Å; L262-F278 HydrophobicContact CB-CD2 4.08Å; L262-F278 HydrophobicContact CB-CE1 4.46Å; L262-F278 HydrophobicContact CB-CE2 4.03Å; L262-F278 HydrophobicContact CB-CG 4.28Å; L262-F278 HydrophobicContact CB-CZ 4.23Å; L262-F278 HydrophobicContact CD1-CD2 3.58Å; L262-F278 HydrophobicContact CD1-CE2 3.59Å; L262-F278 HydrophobicContact CD1-CG 4.48Å; L262-F278 HydrophobicContact CG-CD2 4.36Å; L262-F278 HydrophobicContact CG-CE2 4.43Å; L262-V291 HydrophobicContact CD2-CG1 3.92Å; L262-E295 WeakPolarHBondContact CD2-OE1 3.5Å |
| 263 | L | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 177.4 | -79.6 | 173.2 | 0 | 0 | 0 | 112.4 | Y238 A259 A260 M261 K266 F267 E295 V298 L299 | Y238-L263 HydrophobicContact CD2-CB 4.23Å; Y238-L263 HydrophobicContact CE2-CB 4.21Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.14Å; A260-L263 PolarHBondContact O-N 2.85Å; M261-L263 VanDerWaalsContact C-N 3.32Å; M261-L263 PolarHBondContact O-N 2.54Å; L263-K266 PolarHBondContact O-N 3.33Å; L263-F267 WeakPolarHBondContact O-CB 3.04Å; L263-F267 PolarHBondContact O-N 3.41Å; L263-F267 VanDerWaalsContact O-N 3.09Å; L263-E295 HydrophobicContact CD1-CG 4.35Å; L263-E295 HydrophobicContact CD2-CG 3.68Å; L263-E295 HydrophobicContact CG-CG 3.93Å; L263-V298 HydrophobicContact CD1-CB 3.81Å; L263-V298 HydrophobicContact CD1-CG1 3.54Å; L263-L299 HydrophobicContact CD1-CD2 4.24Å; L263-L299 HydrophobicContact CD1-CG 4.04Å; L263-L299 HydrophobicContact CD2-CD1 3.94Å; L263-L299 HydrophobicContact CD2-CD2 3.7Å; L263-L299 HydrophobicContact CD2-CG 3.74Å |
| 264 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T231 L234 A235 Y238 A260 M261 K266 F267 E268 | T231-A264 HydrophobicContact CG2-CB 3.84Å; T231-A264 VanDerWaalsContact O-CB 3.23Å; T231-A264 WeakPolarHBondContact O-CB 3.26Å; L234-A264 HydrophobicContact CB-CB 3.9Å; A235-A264 HydrophobicContact CB-CB 3.92Å; Y238-A264 HydrophobicContact CD2-CB 4.35Å; Y238-A264 HydrophobicContact CE2-CB 3.86Å; A260-A264 WeakPolarHBondContact O-CB 3.23Å; A260-A264 PolarHBondContact O-N 3.17Å; M261-A264 PolarHBondContact O-N 3.19Å; A264-K266 PolarHBondContact O-N 2.88Å; A264-F267 PolarHBondContact O-N 3.32Å; A264-F267 VanDerWaalsContact O-N 3.1Å; A264-E268 WeakPolarHBondContact O-CB 3.44Å; A264-E268 PolarHBondContact O-N 3.5Å |
| 265 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.6 | T231 M261 L262 F267 E268 E269 | T231-S265 WeakPolarHBondContact CG2-OG 3.28Å; M261-S265 WeakPolarHBondContact O-CB 3.44Å; M261-S265 PolarHBondContact O-N 3.46Å; M261-S265 PolarHBondContact O-OG 2.83Å; M261-S265 VanDerWaalsContact O-OG 3.05Å; L262-S265 PolarHBondContact O-N 2.97Å; S265-F267 PolarHBondContact O-N 3.24Å; S265-E268 PolarHBondContact O-N 3.46Å; S265-E269 VanDerWaalsContact O-CB 3.22Å; S265-E269 WeakPolarHBondContact O-CB 3.34Å; S265-E269 WeakPolarHBondContact O-CG 3.48Å; S265-E269 PolarHBondContact O-N 2.88Å |
| 266 | K | 98.5 | Very high | 97.8 | Very high | 99 Ų | 99 | 45 Ų | 45 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -28.1 | 176.1 | -78 | 176.4 | 173.9 | 176.8 | 0 | 113.7 | L262 L263 A264 E295 | L262-K266 HydrophobicContact CD1-CD 4.39Å; L262-K266 HydrophobicContact CD1-CG 4.47Å; L262-K266 HydrophobicContact CG-CD 4.44Å; L262-K266 WeakPolarHBondContact O-CG 3.4Å; L262-K266 PolarHBondContact O-N 2.86Å; L263-K266 PolarHBondContact O-N 3.33Å; A264-K266 PolarHBondContact O-N 2.88Å; K266-E295 WeakPolarHBondContact CE-OE1 3.49Å; K266-E295 VanDerWaalsContact NZ-CD 3.25Å; K266-E295 IonicContact NZ-OE1 3.94Å; K266-E295 PolarHBondContact NZ-OE1 3.47Å; K266-E295 IonicContact NZ-OE2 2.63Å; K266-E295 PolarHBondContact NZ-OE2 3.23Å; K266-E295 VanDerWaalsContact NZ-OE2 3.08Å |
| 267 | F | 98.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -82.8 | -42.4 | -178.9 | -176.4 | -94.2 | 0 | 0 | 0 | 111.9 | L234 L263 A264 S265 L306 A307 | L234-F267 HydrophobicContact CD1-CD1 3.75Å; L234-F267 HydrophobicContact CD1-CE1 4.25Å; L263-F267 WeakPolarHBondContact O-CB 3.04Å; L263-F267 PolarHBondContact O-N 3.41Å; L263-F267 VanDerWaalsContact O-N 3.09Å; A264-F267 PolarHBondContact O-N 3.32Å; A264-F267 VanDerWaalsContact O-N 3.1Å; S265-F267 PolarHBondContact O-N 3.24Å; F267-L306 HydrophobicContact CD2-CB 4.06Å; F267-L306 HydrophobicContact CD2-CD1 4.47Å; F267-L306 HydrophobicContact CE2-CB 4.25Å; F267-A307 HydrophobicContact CE2-CB 4.48Å; F267-A307 HydrophobicContact CZ-CB 3.88Å |
| 268 | E | 97.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -106.2 | -31.8 | -166.6 | -168.8 | 61.5 | -152.3 | 0 | 0 | 113.9 | E230 L234 A264 S265 | E230-E268 HydrophobicContact CB-CG 3.94Å; E230-E268 HydrophobicContact CG-CG 3.89Å; L234-E268 HydrophobicContact CD1-CB 4.18Å; L234-E268 HydrophobicContact CD1-CG 4.49Å; A264-E268 WeakPolarHBondContact O-CB 3.44Å; A264-E268 PolarHBondContact O-N 3.5Å; S265-E268 PolarHBondContact O-N 3.46Å |
| 269 | E | 97.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | trans | -83.3 | 141.8 | -173.4 | -58.1 | -67.3 | 160.3 | 0 | 0 | 112 | L227 Q228 T231 S265 Y271 P272 | L227-E269 WeakPolarHBondContact CA-OE1 3.47Å; L227-E269 WeakPolarHBondContact CB-OE1 3.31Å; L227-E269 HydrophobicContact CD2-CG 4.11Å; Q228-E269 PolarHBondContact N-OE1 2.96Å; T231-E269 WeakPolarHBondContact CB-OE1 3.21Å; T231-E269 PolarHBondContact OG1-OE1 3.24Å; S265-E269 VanDerWaalsContact O-CB 3.22Å; S265-E269 WeakPolarHBondContact O-CB 3.34Å; S265-E269 WeakPolarHBondContact O-CG 3.48Å; S265-E269 PolarHBondContact O-N 2.88Å; E269-Y271 VanDerWaalsContact C-N 3.3Å; E269-P272 HydrophobicContact CB-CB 4.27Å | ||
| 270 | I | 96 | Very high | 97.2 | Very high | 143 Ų | 143 | 50.5 Ų | 50.5 | 73% | 0.733 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -64.8 | -40.7 | 169.9 | -56.5 | 174.5 | 0 | 0 | 0 | 110 | ||
| 271 | Y | 96.2 | Very high | 97 | Very high | 207 Ų | 207 | 50.6 Ų | 50.6 | 81% | 0.812 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -129 | 79.6 | -179.2 | -57.1 | -68.3 | 0 | 0 | 0 | 109.8 | E269 | E269-Y271 VanDerWaalsContact C-N 3.3Š|
| 272 | P | 96.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 50.6 Ų | 50.6 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -65 | 144.8 | 179.7 | 25.9 | -33.8 | 0 | 0 | 0 | 111.5 | E269 | E269-P272 HydrophobicContact CB-CB 4.27Š|
| 273 | P | 97 | Very high | 96.3 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 14% | 0.143 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 145.6 | 172.7 | -20.8 | 31.4 | 0 | 0 | 0 | 111.8 | Y225 L227 E277 F278 | Y225-P273 HydrophobicContact CD1-CB 4.39Å; Y225-P273 HydrophobicContact CD1-CG 4.25Å; Y225-P273 HydrophobicContact CG-CG 4.04Å; L227-P273 HydrophobicContact CD2-CG 3.89Å; P273-E277 HydrophobicContact CB-CB 4.01Å; P273-E277 HydrophobicContact CB-CG 4.35Å; P273-F278 HydrophobicContact CB-CD2 4.35Å; P273-F278 HydrophobicContact CB-CE2 3.81Å; P273-F278 HydrophobicContact CB-CZ 4.45Å; P273-F278 HydrophobicContact CG-CE2 4.17Å; P273-F278 HydrophobicContact CG-CZ 4.38Å |
| 274 | E | 96.2 | Very high | 95.9 | Very high | 147 Ų | 147 | 59.1 Ų | 59.1 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 158.7 | 177.8 | -64.5 | -171 | -175.2 | 0 | 0 | 111.8 | A276 E277 F278 | E274-A276 PolarHBondContact O-N 2.95Å; E274-A276 VanDerWaalsContact O-N 3.12Å; E274-E277 VanDerWaalsContact O-CB 3.3Å; E274-E277 WeakPolarHBondContact O-CB 3.44Å; E274-E277 PolarHBondContact O-N 2.87Å; E274-F278 PolarHBondContact O-N 3.3Å |
| 275 | V | 97.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59 | -30.2 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | L262 E277 F278 V279 K288 V291 L292 | L262-V275 HydrophobicContact CD1-CG2 4.34Å; L262-V275 HydrophobicContact CD2-CG1 4.49Å; L262-V275 HydrophobicContact CD2-CG2 4.19Å; V275-E277 VanDerWaalsContact C-N 3.3Å; V275-E277 PolarHBondContact O-N 2.88Å; V275-F278 PolarHBondContact O-N 3.26Å; V275-V279 PolarHBondContact O-N 3.45Å; V275-V279 VanDerWaalsContact O-N 3.09Å; V275-K288 HydrophobicContact CG1-CG 3.87Å; V275-V291 HydrophobicContact CG1-CB 4.48Å; V275-V291 HydrophobicContact CG1-CG1 4.15Å; V275-L292 HydrophobicContact CG1-CD2 4.24Å; V275-L292 HydrophobicContact CG1-CG 4.3Å; V275-L292 HydrophobicContact CG2-CD2 4.13Å |
| 276 | A | 96.3 | Very high | 95.5 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E274 V279 Y280 | E274-A276 PolarHBondContact O-N 2.95Å; E274-A276 VanDerWaalsContact O-N 3.12Å; A276-V279 PolarHBondContact O-N 2.73Å; A276-Y280 VanDerWaalsContact O-CB 3.28Å; A276-Y280 WeakPolarHBondContact O-CB 3.38Å; A276-Y280 PolarHBondContact O-N 2.99Å |
| 277 | E | 96.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.1 | -66.2 | -60.6 | 148.2 | 0 | 0 | 111 | P43 Y225 P273 E274 V275 V279 Y280 I281 | P43-E277 WeakPolarHBondContact CB-OE1 3.28Å; Y225-E277 HydrophobicContact CE1-CB 3.89Å; Y225-E277 HydrophobicContact CE1-CG 4.17Å; Y225-E277 WeakPolarHBondContact CE1-OE2 3.35Å; Y225-E277 PolarHBondContact OH-O 3.42Å; Y225-E277 VanDerWaalsContact OH-O 3.08Å; Y225-E277 PolarHBondContact OH-OE2 2.88Å; Y225-E277 VanDerWaalsContact OH-OE2 3.04Å; P273-E277 HydrophobicContact CB-CB 4.01Å; P273-E277 HydrophobicContact CB-CG 4.35Å; E274-E277 VanDerWaalsContact O-CB 3.3Å; E274-E277 WeakPolarHBondContact O-CB 3.44Å; E274-E277 PolarHBondContact O-N 2.87Å; V275-E277 VanDerWaalsContact C-N 3.3Å; V275-E277 PolarHBondContact O-N 2.88Å; E277-V279 VanDerWaalsContact C-N 3.33Å; E277-V279 PolarHBondContact O-N 3.29Å; E277-Y280 CarbonylContact O-C 3.59Å; E277-Y280 VanDerWaalsContact O-C 3.26Å; E277-Y280 WeakPolarHBondContact O-CA 3.34Å; E277-Y280 WeakPolarHBondContact O-CB 3.36Å; E277-Y280 PolarHBondContact O-N 2.97Å; E277-I281 PolarHBondContact O-N 2.71Å |
| 278 | F | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -30.6 | 176.6 | -77.2 | -77.7 | 0 | 0 | 0 | 113.8 | T258 M261 L262 P273 E274 V275 T282 | T258-F278 HydrophobicContact CG2-CB 3.8Å; T258-F278 HydrophobicContact CG2-CD1 4Å; T258-F278 HydrophobicContact CG2-CG 4.33Å; M261-F278 HydrophobicContact CB-CE1 3.83Å; M261-F278 HydrophobicContact CG-CE1 3.69Å; M261-F278 HydrophobicContact CG-CZ 4.18Å; L262-F278 HydrophobicContact CB-CD1 4.47Å; L262-F278 HydrophobicContact CB-CD2 4.08Å; L262-F278 HydrophobicContact CB-CE1 4.46Å; L262-F278 HydrophobicContact CB-CE2 4.03Å; L262-F278 HydrophobicContact CB-CG 4.28Å; L262-F278 HydrophobicContact CB-CZ 4.23Å; L262-F278 HydrophobicContact CD1-CD2 3.58Å; L262-F278 HydrophobicContact CD1-CE2 3.59Å; L262-F278 HydrophobicContact CD1-CG 4.48Å; L262-F278 HydrophobicContact CG-CD2 4.36Å; L262-F278 HydrophobicContact CG-CE2 4.43Å; P273-F278 HydrophobicContact CB-CD2 4.35Å; P273-F278 HydrophobicContact CB-CE2 3.81Å; P273-F278 HydrophobicContact CB-CZ 4.45Å; P273-F278 HydrophobicContact CG-CE2 4.17Å; P273-F278 HydrophobicContact CG-CZ 4.38Å; E274-F278 PolarHBondContact O-N 3.3Å; V275-F278 PolarHBondContact O-N 3.26Å; F278-T282 VanDerWaalsContact O-CG2 3.25Å; F278-T282 WeakPolarHBondContact O-CG2 3.45Å |
| 279 | V | 96 | Very high | 95.4 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 167.4 | 171.9 | 0 | 0 | 0 | 0 | 109.3 | R49 V275 A276 E277 I281 T282 Y286 K288 V291 | R49-V279 PolarHBondContact NH2-O 3.27Å; V275-V279 PolarHBondContact O-N 3.45Å; V275-V279 VanDerWaalsContact O-N 3.09Å; A276-V279 PolarHBondContact O-N 2.73Å; E277-V279 VanDerWaalsContact C-N 3.33Å; E277-V279 PolarHBondContact O-N 3.29Å; V279-I281 VanDerWaalsContact C-N 3.26Å; V279-I281 PolarHBondContact O-N 2.76Å; V279-T282 PolarHBondContact O-N 3.24Å; V279-T282 VanDerWaalsContact O-N 3.08Å; V279-T282 PolarHBondContact O-OG1 3.29Å; V279-Y286 WeakPolarHBondContact CG1-O 3.25Å; V279-K288 HydrophobicContact CG2-CB 4.12Å; V279-V291 HydrophobicContact CG2-CG2 4.09Å |
| 280 | Y | 94.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 65.4 Ų | 65.4 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -13.7 | 177.8 | -178.5 | -99.1 | 0 | 0 | 0 | 114.6 | P43 R49 A276 E277 | P43-Y280 HydrophobicContact CB-CD1 4.07Å; P43-Y280 HydrophobicContact CB-CD2 4.37Å; P43-Y280 HydrophobicContact CB-CG 3.99Å; P43-Y280 HydrophobicContact CG-CD1 3.99Å; P43-Y280 HydrophobicContact CG-CD2 3.45Å; P43-Y280 VanDerWaalsContact CG-CD2 3.45Å; P43-Y280 HydrophobicContact CG-CE2 4.03Å; P43-Y280 HydrophobicContact CG-CG 3.41Å; P43-Y280 VanDerWaalsContact CG-CG 3.41Å; R49-Y280 PolarHBondContact NE-O 3.34Å; R49-Y280 PolarHBondContact NH2-O 2.67Å; A276-Y280 VanDerWaalsContact O-CB 3.28Å; A276-Y280 WeakPolarHBondContact O-CB 3.38Å; A276-Y280 PolarHBondContact O-N 2.99Å; E277-Y280 CarbonylContact O-C 3.59Å; E277-Y280 VanDerWaalsContact O-C 3.26Å; E277-Y280 WeakPolarHBondContact O-CA 3.34Å; E277-Y280 WeakPolarHBondContact O-CB 3.36Å; E277-Y280 PolarHBondContact O-N 2.97Å |
| 281 | I | 92.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -92.5 | -13.3 | 172 | -156.9 | 62.1 | 0 | 0 | 0 | 112.6 | R49 W217 V221 E224 Y225 E277 V279 D283 | R49-I281 HydrophobicContact CG-CD1 4.46Å; W217-I281 HydrophobicContact CH2-CG2 4.23Å; W217-I281 HydrophobicContact CZ2-CG1 4.37Å; W217-I281 HydrophobicContact CZ2-CG2 3.99Å; V221-I281 HydrophobicContact CG1-CG1 4.46Å; V221-I281 HydrophobicContact CG1-CG2 4.39Å; V221-I281 HydrophobicContact CG2-CG1 3.88Å; V221-I281 HydrophobicContact CG2-CG2 4.39Å; E224-I281 HydrophobicContact CG-CD1 4.29Å; Y225-I281 HydrophobicContact CE2-CB 4.01Å; Y225-I281 HydrophobicContact CE2-CD1 4.34Å; Y225-I281 HydrophobicContact CE2-CG1 4.08Å; Y225-I281 HydrophobicContact CE2-CG2 4.34Å; E277-I281 PolarHBondContact O-N 2.71Å; V279-I281 VanDerWaalsContact C-N 3.26Å; V279-I281 PolarHBondContact O-N 2.76Å; I281-D283 PolarHBondContact O-N 3.15Å |
| 282 | T | 91.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 20.4 | -174.2 | 62.4 | 0 | 0 | 0 | 0 | 115.7 | W217 T258 F278 V279 D284 T285 Y286 | W217-T282 HydrophobicContact CH2-CG2 3.95Å; W217-T282 HydrophobicContact CZ2-CG2 4.25Å; T258-T282 HydrophobicContact CG2-CG2 3.89Å; T258-T282 WeakPolarHBondContact OG1-CG2 2.98Å; F278-T282 VanDerWaalsContact O-CG2 3.25Å; F278-T282 WeakPolarHBondContact O-CG2 3.45Å; V279-T282 PolarHBondContact O-N 3.24Å; V279-T282 VanDerWaalsContact O-N 3.08Å; V279-T282 PolarHBondContact O-OG1 3.29Å; T282-D284 PolarHBondContact O-N 3.05Å; T282-T285 WeakPolarHBondContact O-CB 3.49Å; T282-T285 PolarHBondContact O-N 3.41Å; T282-T285 PolarHBondContact O-OG1 2.93Å; T282-Y286 HydrophobicContact CG2-CD2 4.33Å |
| 283 | D | 92 | Very high | 95.7 | Very high | 89 Ų | 89 | 55 Ų | 55 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 27.6 | -168.3 | -141.7 | 34.6 | 0 | 0 | 0 | 117.6 | R49 V51 I281 T285 | R49-D283 IonicContact CZ-OD1 3.08Å; R49-D283 IonicContact NE-OD1 3.84Å; R49-D283 VanDerWaalsContact NH1-CA 3.33Å; R49-D283 IonicContact NH1-OD1 2.76Å; R49-D283 PolarHBondContact NH1-OD1 3.19Å; V51-D283 HydrophobicContact CB-CB 4.24Å; V51-D283 HydrophobicContact CG1-CB 3.49Å; V51-D283 VanDerWaalsContact CG1-CB 3.49Å; V51-D283 HydrophobicContact CG2-CB 3.68Å; I281-D283 PolarHBondContact O-N 3.15Å; D283-T285 PolarHBondContact O-N 2.84Å |
| 284 | D | 89.6 | Confident | 95.8 | Very high | 98 Ų | 98 | 54.5 Ų | 54.5 | 52% | 0.524 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 20 | -174.3 | -58.7 | -86.2 | 0 | 0 | 0 | 111.8 | R49 T282 Y286 | R49-D284 IonicContact CZ-OD2 2.66Å; R49-D284 IonicContact NH1-OD2 2.94Å; R49-D284 PolarHBondContact NH1-OD2 3.23Å; R49-D284 IonicContact NH2-OD2 3.8Å; R49-D284 PolarHBondContact NH2-OD2 2.95Å; T282-D284 PolarHBondContact O-N 3.05Å; D284-Y286 PolarHBondContact O-N 3.22Å; D284-Y286 VanDerWaalsContact O-N 3.17Å |
| 285 | T | 93.3 | Very high | 95.9 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | trans | -57.9 | -30.1 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | T282 D283 | T282-T285 WeakPolarHBondContact O-CB 3.49Å; T282-T285 PolarHBondContact O-N 3.41Å; T282-T285 PolarHBondContact O-OG1 2.93Å; D283-T285 PolarHBondContact O-N 2.84Å | ||
| 286 | Y | 95.7 | Very high | 96 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -125.2 | 139.3 | 178.2 | -51.1 | -65.2 | 0 | 0 | 0 | 111.7 | G251 Q254 L255 V279 T282 D284 | G251-Y286 PolarHBondContact O-OH 2.87Å; Q254-Y286 HydrophobicContact CB-CE2 3.91Å; Q254-Y286 HydrophobicContact CG-CE2 4.07Å; L255-Y286 HydrophobicContact CB-CD1 4.07Å; L255-Y286 HydrophobicContact CB-CD2 4.05Å; L255-Y286 HydrophobicContact CB-CE1 3.78Å; L255-Y286 HydrophobicContact CB-CE2 3.75Å; L255-Y286 HydrophobicContact CB-CG 4.18Å; L255-Y286 HydrophobicContact CD1-CD1 4.18Å; L255-Y286 HydrophobicContact CD1-CD2 4.07Å; L255-Y286 HydrophobicContact CD1-CG 3.81Å; L255-Y286 HydrophobicContact CD2-CD1 4.16Å; L255-Y286 HydrophobicContact CD2-CE1 4.35Å; L255-Y286 HydrophobicContact CG-CD1 4.36Å; L255-Y286 HydrophobicContact CG-CG 4.41Å; L255-Y286 PolarHBondContact N-OH 3.29Å; V279-Y286 WeakPolarHBondContact CG1-O 3.25Å; T282-Y286 HydrophobicContact CG2-CD2 4.33Å; D284-Y286 PolarHBondContact O-N 3.22Å; D284-Y286 VanDerWaalsContact O-N 3.17Å |
| 287 | T | 97.4 | Very high | 96.1 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | trans | -74.8 | 155.2 | 173.1 | 63 | 0 | 0 | 0 | 0 | 111.6 | K289 Q290 V291 | T287-K289 PolarHBondContact O-N 3.33Å; T287-K289 VanDerWaalsContact O-N 3.12Å; T287-Q290 WeakPolarHBondContact O-CB 3.47Å; T287-Q290 PolarHBondContact O-N 2.96Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.39Å; T287-Q290 PolarHBondContact OG1-N 2.9Å; T287-Q290 PolarHBondContact OG1-OE1 3.41Å; T287-V291 PolarHBondContact O-N 3.27Å; T287-V291 VanDerWaalsContact O-N 3.08Å | ||
| 288 | K | 97.6 | Very high | 96.2 | Very high | 123 Ų | 123 | 50.3 Ų | 50.3 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -49 | -39.9 | 171.6 | -176.7 | 172.9 | -177.7 | 174.2 | 0 | 112.6 | V275 V279 V291 L292 | V275-K288 HydrophobicContact CG1-CG 3.87Å; V279-K288 HydrophobicContact CG2-CB 4.12Å; K288-V291 PolarHBondContact O-N 3Å; K288-L292 HydrophobicContact CG-CD1 4.17Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.14Å |
| 289 | K | 97.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 39% | 0.391 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 178.2 | -171.8 | -179.8 | 178 | -167.4 | 0 | 112.3 | D107 T287 R293 | D107-K289 IonicContact OD1-NZ 3.75Å; D107-K289 PolarHBondContact OD1-NZ 3.32Å; D107-K289 IonicContact OD2-NZ 2.86Å; D107-K289 PolarHBondContact OD2-NZ 3.31Å; T287-K289 PolarHBondContact O-N 3.33Å; T287-K289 VanDerWaalsContact O-N 3.12Å; K289-R293 VanDerWaalsContact CE-CZ 3.42Å; K289-R293 WeakPolarHBondContact O-CB 3.42Å; K289-R293 VanDerWaalsContact O-CG 3.3Å; K289-R293 WeakPolarHBondContact O-CG 3.32Å; K289-R293 PolarHBondContact O-N 3.45Å |
| 290 | Q | 97.8 | Very high | 96.4 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 176.4 | -74.4 | 166.6 | -50.4 | 0 | 0 | 111.6 | L255 T287 R293 M294 | L255-Q290 HydrophobicContact CD1-CB 4.42Å; L255-Q290 HydrophobicContact CD2-CB 4.3Å; T287-Q290 WeakPolarHBondContact O-CB 3.47Å; T287-Q290 PolarHBondContact O-N 2.96Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.39Å; T287-Q290 PolarHBondContact OG1-N 2.9Å; T287-Q290 PolarHBondContact OG1-OE1 3.41Å; Q290-R293 PolarHBondContact O-N 3.37Å; Q290-M294 WeakPolarHBondContact O-CB 3.19Å; Q290-M294 PolarHBondContact O-N 3.37Å |
| 291 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | L255 T258 L262 V275 V279 T287 K288 R293 M294 E295 | L255-V291 HydrophobicContact CD1-CG2 3.99Å; T258-V291 HydrophobicContact CG2-CG1 4.43Å; T258-V291 HydrophobicContact CG2-CG2 4.44Å; L262-V291 HydrophobicContact CD2-CG1 3.92Å; V275-V291 HydrophobicContact CG1-CB 4.48Å; V275-V291 HydrophobicContact CG1-CG1 4.15Å; V279-V291 HydrophobicContact CG2-CG2 4.09Å; T287-V291 PolarHBondContact O-N 3.27Å; T287-V291 VanDerWaalsContact O-N 3.08Å; K288-V291 PolarHBondContact O-N 3Å; V291-R293 PolarHBondContact O-N 3Å; V291-M294 PolarHBondContact O-N 2.96Å; V291-E295 WeakPolarHBondContact O-CB 3.45Å; V291-E295 PolarHBondContact O-N 3.04Å |
| 292 | L | 98.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 57.2 Ų | 57.2 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 178.5 | -70.3 | 174.4 | 0 | 0 | 0 | 113.4 | V275 K288 E295 H296 | V275-L292 HydrophobicContact CG1-CD2 4.24Å; V275-L292 HydrophobicContact CG1-CG 4.3Å; V275-L292 HydrophobicContact CG2-CD2 4.13Å; K288-L292 HydrophobicContact CG-CD1 4.17Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.14Å; L292-E295 PolarHBondContact O-N 2.92Å; L292-H296 PolarHBondContact O-N 3.49Å |
| 293 | R | 98.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 61.1 Ų | 61.1 | 45% | 0.445 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 174 | -79.5 | 177.3 | 171.5 | 175.9 | -5.3 | 111.5 | D107 K289 Q290 V291 H296 L297 | D107-R293 IonicContact OD1-NH2 3.45Å; K289-R293 VanDerWaalsContact CE-CZ 3.42Å; K289-R293 WeakPolarHBondContact O-CB 3.42Å; K289-R293 VanDerWaalsContact O-CG 3.3Å; K289-R293 WeakPolarHBondContact O-CG 3.32Å; K289-R293 PolarHBondContact O-N 3.45Å; Q290-R293 PolarHBondContact O-N 3.37Å; V291-R293 PolarHBondContact O-N 3Å; R293-H296 PolarHBondContact O-N 2.98Å; R293-L297 PolarHBondContact O-N 3.03Å |
| 294 | M | 98.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 176.7 | -174.7 | 60.3 | 71.8 | 0 | 0 | 111.2 | F242 L255 V256 A259 Q290 V291 H296 L297 V298 | F242-M294 HydrophobicContact CZ-SD 4.16Å; L255-M294 HydrophobicContact CD1-CB 4.15Å; L255-M294 HydrophobicContact CD2-CB 4.25Å; L255-M294 HydrophobicContact CD2-CE 3.79Å; L255-M294 HydrophobicContact CG-CB 3.88Å; L255-M294 HydrophobicContact CG-CE 3.95Å; L255-M294 HydrophobicContact CG-CG 4.01Å; V256-M294 HydrophobicContact CG2-CE 3.85Å; V256-M294 HydrophobicContact CG2-SD 3.84Å; A259-M294 HydrophobicContact CB-CB 3.84Å; A259-M294 HydrophobicContact CB-CG 3.47Å; A259-M294 VanDerWaalsContact CB-CG 3.47Å; Q290-M294 WeakPolarHBondContact O-CB 3.19Å; Q290-M294 PolarHBondContact O-N 3.37Å; V291-M294 PolarHBondContact O-N 2.96Å; M294-H296 VanDerWaalsContact C-N 3.32Å; M294-H296 PolarHBondContact O-N 3.36Å; M294-L297 WeakPolarHBondContact O-CB 3.27Å; M294-L297 PolarHBondContact O-N 3Å; M294-L297 VanDerWaalsContact O-N 3.09Å; M294-L297 HydrophobicContact SD-CD2 4.16Å; M294-V298 HydrophobicContact CG-CG2 4.27Å; M294-V298 WeakPolarHBondContact O-CG2 3.19Å; M294-V298 PolarHBondContact O-N 3.45Å; M294-V298 HydrophobicContact SD-CG2 4.29Å |
| 295 | E | 98.6 | Very high | 97.8 | Very high | 21 Ų | 21 | 63.4 Ų | 63.4 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -52.4 | -51.2 | 173 | 171.9 | 177.1 | -107.2 | 0 | 0 | 111.2 | L262 L263 K266 V291 L292 L297 V298 L299 | L262-E295 WeakPolarHBondContact CD2-OE1 3.5Å; L263-E295 HydrophobicContact CD1-CG 4.35Å; L263-E295 HydrophobicContact CD2-CG 3.68Å; L263-E295 HydrophobicContact CG-CG 3.93Å; K266-E295 WeakPolarHBondContact CE-OE1 3.49Å; K266-E295 VanDerWaalsContact NZ-CD 3.25Å; K266-E295 IonicContact NZ-OE1 3.94Å; K266-E295 PolarHBondContact NZ-OE1 3.47Å; K266-E295 IonicContact NZ-OE2 2.63Å; K266-E295 PolarHBondContact NZ-OE2 3.23Å; K266-E295 VanDerWaalsContact NZ-OE2 3.08Å; V291-E295 WeakPolarHBondContact O-CB 3.45Å; V291-E295 PolarHBondContact O-N 3.04Å; L292-E295 PolarHBondContact O-N 2.92Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.29Å; E295-V298 PolarHBondContact O-N 2.91Å; E295-L299 HydrophobicContact CG-CD1 4.3Å; E295-L299 WeakPolarHBondContact O-CG 3.32Å; E295-L299 PolarHBondContact O-N 3.11Å |
| 296 | H | 98.4 | Very high | 98 | Very high | 121 Ų | 121 | 60.8 Ų | 60.8 | 56% | 0.56 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.6 | -41 | 177.5 | -178.4 | 77.2 | 0 | 0 | 0 | 112.3 | L292 R293 M294 K300 | L292-H296 PolarHBondContact O-N 3.49Å; R293-H296 PolarHBondContact O-N 2.98Å; M294-H296 VanDerWaalsContact C-N 3.32Å; M294-H296 PolarHBondContact O-N 3.36Å; H296-K300 WeakPolarHBondContact O-CB 3.41Å; H296-K300 PolarHBondContact O-N 3.34Å |
| 297 | L | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 63 Ų | 63 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 177.8 | -178.9 | 60.5 | 0 | 0 | 0 | 111.9 | F242 R293 M294 E295 K300 V301 | F242-L297 HydrophobicContact CE2-CD2 4.44Å; F242-L297 HydrophobicContact CE2-CG 4.07Å; F242-L297 HydrophobicContact CZ-CD2 4.1Å; F242-L297 HydrophobicContact CZ-CG 4.23Å; R293-L297 PolarHBondContact O-N 3.03Å; M294-L297 WeakPolarHBondContact O-CB 3.27Å; M294-L297 PolarHBondContact O-N 3Å; M294-L297 VanDerWaalsContact O-N 3.09Å; M294-L297 HydrophobicContact SD-CD2 4.16Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.29Å; L297-K300 PolarHBondContact O-N 2.95Å; L297-V301 HydrophobicContact CD1-CG2 4.16Å; L297-V301 HydrophobicContact CG-CG2 4.49Å; L297-V301 WeakPolarHBondContact O-CG2 3.38Å; L297-V301 PolarHBondContact O-N 3.04Å |
| 298 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 110 | F242 A259 L263 M294 E295 K300 V301 L302 | F242-V298 HydrophobicContact CD2-CB 4.26Å; F242-V298 HydrophobicContact CD2-CG1 4.43Å; F242-V298 HydrophobicContact CD2-CG2 3.82Å; F242-V298 HydrophobicContact CE2-CB 4.46Å; F242-V298 HydrophobicContact CE2-CG2 3.87Å; F242-V298 HydrophobicContact CG-CG2 4.37Å; F242-V298 HydrophobicContact CZ-CG2 4.46Å; A259-V298 HydrophobicContact CB-CG2 4.45Å; L263-V298 HydrophobicContact CD1-CB 3.81Å; L263-V298 HydrophobicContact CD1-CG1 3.54Å; M294-V298 HydrophobicContact CG-CG2 4.27Å; M294-V298 WeakPolarHBondContact O-CG2 3.19Å; M294-V298 PolarHBondContact O-N 3.45Å; M294-V298 HydrophobicContact SD-CG2 4.29Å; E295-V298 PolarHBondContact O-N 2.91Å; V298-K300 VanDerWaalsContact C-N 3.3Å; V298-K300 PolarHBondContact O-N 3.12Å; V298-V301 PolarHBondContact O-N 3.3Å; V298-L302 HydrophobicContact CG1-CD1 3.76Å; V298-L302 HydrophobicContact CG1-CG 4.2Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 WeakPolarHBondContact O-CG 3.43Å; V298-L302 PolarHBondContact O-N 2.81Å |
| 299 | L | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.5 | -44.8 | 175.4 | -75.6 | 170.9 | 0 | 0 | 0 | 112.5 | L263 E295 L302 S303 F304 L306 | L263-L299 HydrophobicContact CD1-CD2 4.24Å; L263-L299 HydrophobicContact CD1-CG 4.04Å; L263-L299 HydrophobicContact CD2-CD1 3.94Å; L263-L299 HydrophobicContact CD2-CD2 3.7Å; L263-L299 HydrophobicContact CD2-CG 3.74Å; E295-L299 HydrophobicContact CG-CD1 4.3Å; E295-L299 WeakPolarHBondContact O-CG 3.32Å; E295-L299 PolarHBondContact O-N 3.11Å; L299-L302 CarbonylContact O-C 3.56Å; L299-L302 PolarHBondContact O-N 3.38Å; L299-S303 PolarHBondContact O-N 3.23Å; L299-F304 HydrophobicContact CB-CD1 4.43Å; L299-F304 HydrophobicContact CB-CD2 4.47Å; L299-F304 HydrophobicContact CB-CE1 4.08Å; L299-F304 HydrophobicContact CB-CE2 4.12Å; L299-F304 HydrophobicContact CB-CZ 3.91Å; L299-F304 HydrophobicContact CD1-CE1 3.85Å; L299-F304 HydrophobicContact CD1-CZ 4.17Å; L299-F304 HydrophobicContact CD2-CD1 3.79Å; L299-F304 HydrophobicContact CD2-CE1 3.93Å; L299-F304 HydrophobicContact CD2-CG 4.36Å; L299-F304 HydrophobicContact CG-CD1 4.49Å; L299-F304 HydrophobicContact CG-CE1 4.18Å; L299-F304 HydrophobicContact CG-CZ 4.47Å; L299-F304 PolarHBondContact O-N 3.26Å; L299-L306 HydrophobicContact CD2-CD1 3.84Å; L299-L306 HydrophobicContact CD2-CD2 4.23Å; L299-L306 HydrophobicContact CD2-CG 4.33Å |
| 300 | K | 98.3 | Very high | 98 | Very high | 146 Ų | 146 | 49.7 Ų | 49.7 | 64% | 0.635 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 178.9 | -174.1 | 179.4 | 179.8 | 179.7 | 0 | 112.1 | H296 L297 V298 S303 | H296-K300 WeakPolarHBondContact O-CB 3.41Å; H296-K300 PolarHBondContact O-N 3.34Å; L297-K300 PolarHBondContact O-N 2.95Å; V298-K300 VanDerWaalsContact C-N 3.3Å; V298-K300 PolarHBondContact O-N 3.12Å; K300-S303 PolarHBondContact O-N 2.57Å |
| 301 | V | 98.2 | Very high | 98 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.3 | -37.8 | 179.8 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | F242 M246 L297 V298 S303 | F242-V301 HydrophobicContact CD2-CB 3.85Å; F242-V301 HydrophobicContact CD2-CG1 3.82Å; F242-V301 HydrophobicContact CD2-CG2 4.14Å; F242-V301 HydrophobicContact CE2-CB 4.01Å; F242-V301 HydrophobicContact CE2-CG1 4.29Å; F242-V301 HydrophobicContact CE2-CG2 3.79Å; M246-V301 HydrophobicContact CG-CG1 4.01Å; M246-V301 HydrophobicContact CG-CG2 3.72Å; M246-V301 HydrophobicContact SD-CG2 3.92Å; L297-V301 HydrophobicContact CD1-CG2 4.16Å; L297-V301 HydrophobicContact CG-CG2 4.49Å; L297-V301 WeakPolarHBondContact O-CG2 3.38Å; L297-V301 PolarHBondContact O-N 3.04Å; V298-V301 PolarHBondContact O-N 3.3Å; V301-S303 PolarHBondContact O-N 3.36Å |
| 302 | L | 97.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.4 | 176.9 | -59.8 | -174.9 | 0 | 0 | 0 | 113.3 | Y238 R241 V298 L299 F304 D305 L306 | Y238-L302 HydrophobicContact CD1-CD1 3.99Å; Y238-L302 HydrophobicContact CG-CD1 4Å; R241-L302 HydrophobicContact CB-CD2 3.48Å; R241-L302 VanDerWaalsContact CB-CD2 3.48Å; V298-L302 HydrophobicContact CG1-CD1 3.76Å; V298-L302 HydrophobicContact CG1-CG 4.2Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 WeakPolarHBondContact O-CG 3.43Å; V298-L302 PolarHBondContact O-N 2.81Å; L299-L302 CarbonylContact O-C 3.56Å; L299-L302 PolarHBondContact O-N 3.38Å; L302-F304 PolarHBondContact O-N 3.4Å; L302-F304 VanDerWaalsContact O-N 3.15Å; L302-D305 WeakPolarHBondContact O-CB 3.27Å; L302-D305 PolarHBondContact O-N 3.09Å; L302-L306 HydrophobicContact CD1-CD2 4.18Å |
| 303 | S | 97.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 57% | 0.573 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32.9 | -176.8 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | L299 K300 V301 D305 | L299-S303 PolarHBondContact O-N 3.23Å; K300-S303 PolarHBondContact O-N 2.57Å; V301-S303 PolarHBondContact O-N 3.36Å; S303-D305 PolarHBondContact O-N 2.98Å |
| 304 | F | 98 | Very high | 97.7 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 60% | 0.601 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 12 | -174 | -67 | -104.2 | 0 | 0 | 0 | 115.4 | L299 L302 L306 | L299-F304 HydrophobicContact CB-CD1 4.43Å; L299-F304 HydrophobicContact CB-CD2 4.47Å; L299-F304 HydrophobicContact CB-CE1 4.08Å; L299-F304 HydrophobicContact CB-CE2 4.12Å; L299-F304 HydrophobicContact CB-CZ 3.91Å; L299-F304 HydrophobicContact CD1-CE1 3.85Å; L299-F304 HydrophobicContact CD1-CZ 4.17Å; L299-F304 HydrophobicContact CD2-CD1 3.79Å; L299-F304 HydrophobicContact CD2-CE1 3.93Å; L299-F304 HydrophobicContact CD2-CG 4.36Å; L299-F304 HydrophobicContact CG-CD1 4.49Å; L299-F304 HydrophobicContact CG-CE1 4.18Å; L299-F304 HydrophobicContact CG-CZ 4.47Å; L299-F304 PolarHBondContact O-N 3.26Å; L302-F304 PolarHBondContact O-N 3.4Å; L302-F304 VanDerWaalsContact O-N 3.15Å; F304-L306 VanDerWaalsContact C-N 3.29Å; F304-L306 PolarHBondContact O-N 2.94Å |
| 305 | D | 97.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 41.7 Ų | 41.7 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | trans | -78.4 | 76.8 | 176.1 | -65.4 | -39.1 | 0 | 0 | 0 | 110.4 | R241 L302 S303 | R241-D305 VanDerWaalsContact CZ-O 3.26Å; R241-D305 PolarHBondContact NH1-O 3.49Å; R241-D305 PolarHBondContact NH2-O 3.28Å; L302-D305 WeakPolarHBondContact O-CB 3.27Å; L302-D305 PolarHBondContact O-N 3.09Å; S303-D305 PolarHBondContact O-N 2.98Å | ||
| 306 | L | 97.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | trans | -92 | -24.8 | -175.5 | -61.9 | -173.4 | 0 | 0 | 0 | 114 | Y238 F267 L299 L302 F304 A308 | Y238-L306 HydrophobicContact CD1-CD2 4.38Å; Y238-L306 HydrophobicContact CE1-CB 4.29Å; Y238-L306 HydrophobicContact CE1-CD2 4.02Å; Y238-L306 VanDerWaalsContact CE1-O 3.28Å; Y238-L306 WeakPolarHBondContact CE1-O 3.47Å; Y238-L306 HydrophobicContact CE2-CD2 4.16Å; Y238-L306 PolarHBondContact OH-O 3.44Å; F267-L306 HydrophobicContact CD2-CB 4.06Å; F267-L306 HydrophobicContact CD2-CD1 4.47Å; F267-L306 HydrophobicContact CE2-CB 4.25Å; L299-L306 HydrophobicContact CD2-CD1 3.84Å; L299-L306 HydrophobicContact CD2-CD2 4.23Å; L299-L306 HydrophobicContact CD2-CG 4.33Å; L302-L306 HydrophobicContact CD1-CD2 4.18Å; F304-L306 VanDerWaalsContact C-N 3.29Å; F304-L306 PolarHBondContact O-N 2.94Å; L306-A308 PolarHBondContact O-N 3.1Å | ||
| 307 | A | 96.8 | Very high | 97 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 49% | 0.488 | 20% | 0.2 | S | C | . | . | trans | -74.8 | 65.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F267 | F267-A307 HydrophobicContact CE2-CB 4.48Å; F267-A307 HydrophobicContact CZ-CB 3.88Å | ||
| 308 | A | 96.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | trans | -87.8 | 131.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T193 L234 N237 L306 | T193-A308 HydrophobicContact CG2-CB 4.2Å; L234-A308 HydrophobicContact CD2-CB 4.39Å; L234-A308 WeakPolarHBondContact CD2-O 3.28Å; N237-A308 HydrophobicContact CB-CB 4.42Å; N237-A308 WeakPolarHBondContact OD1-CB 3.21Å; L306-A308 PolarHBondContact O-N 3.1Å | ||
| 309 | P | 97.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | trans | -63.7 | 140 | 173.6 | -23.8 | 35.3 | 0 | 0 | 0 | 112.1 | L186 M189 E190 T193 F314 | L186-P309 HydrophobicContact CB-CB 4.3Å; L186-P309 HydrophobicContact CB-CG 4.3Å; L186-P309 HydrophobicContact CD2-CB 4.08Å; L186-P309 HydrophobicContact CD2-CG 3.87Å; L186-P309 WeakPolarHBondContact O-CG 3.41Å; M189-P309 HydrophobicContact CB-CG 3.52Å; E190-P309 HydrophobicContact CB-CB 4.07Å; E190-P309 HydrophobicContact CB-CG 4.24Å; T193-P309 WeakPolarHBondContact OG1-CD 3.38Å; P309-F314 HydrophobicContact CB-CE2 3.99Å; P309-F314 HydrophobicContact CB-CZ 4.47Å | ||
| 310 | T | 97.8 | Very high | 96 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | trans | -118.8 | 163.2 | -176.4 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | E230 L234 N312 Q313 F314 | E230-T310 WeakPolarHBondContact OE1-CB 3.32Å; E230-T310 WeakPolarHBondContact OE1-CG2 3.42Å; E230-T310 PolarHBondContact OE1-OG1 3.29Å; E230-T310 PolarHBondContact OE2-OG1 3.26Å; L234-T310 HydrophobicContact CD2-CG2 3.82Å; L234-T310 HydrophobicContact CG-CG2 4.09Å; T310-N312 PolarHBondContact O-N 2.62Å; T310-Q313 PolarHBondContact O-N 2.7Å; T310-Q313 WeakPolarHBondContact OG1-CG 3.32Å; T310-Q313 PolarHBondContact OG1-N 2.78Å; T310-Q313 VanDerWaalsContact OG1-N 3.16Å; T310-F314 VanDerWaalsContact O-CD2 3.27Å; T310-F314 WeakPolarHBondContact O-CD2 3.23Å; T310-F314 PolarHBondContact O-N 3.15Å | ||
| 311 | I | 97.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.077 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 174.4 | -61.1 | 166.7 | 0 | 0 | 0 | 109.8 | Y233 F314 L315 S339 L340 P351 M354 A355 | Y233-I311 HydrophobicContact CD1-CB 4.01Å; Y233-I311 HydrophobicContact CD1-CD1 4.3Å; Y233-I311 HydrophobicContact CD1-CG1 4.39Å; Y233-I311 HydrophobicContact CE1-CB 3.57Å; Y233-I311 HydrophobicContact CE1-CD1 3.84Å; Y233-I311 HydrophobicContact CE1-CG1 4.13Å; Y233-I311 HydrophobicContact CE1-CG2 4.23Å; I311-F314 PolarHBondContact O-N 2.91Å; I311-L315 HydrophobicContact CG2-CD1 4.09Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.06Å; I311-S339 WeakPolarHBondContact CD1-OG 3.47Å; I311-L340 HydrophobicContact CD1-CD2 4.28Å; I311-P351 HydrophobicContact CG1-CB 4.08Å; I311-M354 HydrophobicContact CD1-CB 3.89Å; I311-M354 HydrophobicContact CD1-CG 3.47Å; I311-M354 VanDerWaalsContact CD1-CG 3.47Å; I311-M354 HydrophobicContact CG1-CB 3.97Å; I311-M354 HydrophobicContact CG1-CG 4.05Å; I311-M354 HydrophobicContact CG2-CB 4.46Å; I311-M354 HydrophobicContact CG2-CG 4.28Å; I311-A355 HydrophobicContact CG2-CB 3.95Å; I311-A355 WeakPolarHBondContact O-CB 3.48Å |
| 312 | N | 96.2 | Very high | 95 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 179.9 | -176.6 | 63.6 | 0 | 0 | 0 | 112.4 | E230 Y233 T310 F314 L315 T316 | E230-N312 WeakPolarHBondContact OE2-CB 3.17Å; E230-N312 PolarHBondContact OE2-ND2 3.08Å; Y233-N312 HydrophobicContact CD2-CB 3.64Å; Y233-N312 HydrophobicContact CE2-CB 3.69Å; Y233-N312 HydrophobicContact CG-CB 4.28Å; T310-N312 PolarHBondContact O-N 2.62Å; N312-F314 PolarHBondContact O-N 3.32Å; N312-L315 PolarHBondContact O-N 3.03Å; N312-T316 WeakPolarHBondContact O-CG2 3.4Å; N312-T316 PolarHBondContact O-N 2.91Å; N312-T316 PolarHBondContact O-OG1 3.45Å |
| 313 | Q | 95.2 | Very high | 94.4 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 172.8 | -74 | 176.3 | -5.3 | 0 | 0 | 112.6 | L186 E230 T310 T316 Q317 | L186-Q313 HydrophobicContact CD1-CB 4.46Å; E230-Q313 WeakPolarHBondContact OE1-CG 3.42Å; E230-Q313 PolarHBondContact OE1-NE2 3.2Å; T310-Q313 PolarHBondContact O-N 2.7Å; T310-Q313 WeakPolarHBondContact OG1-CG 3.32Å; T310-Q313 PolarHBondContact OG1-N 2.78Å; T310-Q313 VanDerWaalsContact OG1-N 3.16Å; Q313-T316 PolarHBondContact O-OG1 3.49Å; Q313-Q317 WeakPolarHBondContact O-CG 3.34Å; Q313-Q317 PolarHBondContact O-N 3.39Å; Q313-Q317 VanDerWaalsContact O-N 3.17Å |
| 314 | F | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 176.9 | -73.6 | -70.6 | 0 | 0 | 0 | 112.6 | H183 L186 R187 E190 P309 T310 I311 N312 T316 Q317 Y318 P351 A355 | H183-F314 AromaticContact CD2-CE1 3.99Å; L186-F314 HydrophobicContact CB-CE1 4.01Å; L186-F314 HydrophobicContact CB-CZ 3.72Å; R187-F314 HydrophobicContact CG-CE1 4Å; R187-F314 HydrophobicContact CG-CZ 4.3Å; E190-F314 HydrophobicContact CB-CE2 4.38Å; E190-F314 WeakPolarHBondContact OE2-CE2 3.36Å; P309-F314 HydrophobicContact CB-CE2 3.99Å; P309-F314 HydrophobicContact CB-CZ 4.47Å; T310-F314 VanDerWaalsContact O-CD2 3.27Å; T310-F314 WeakPolarHBondContact O-CD2 3.23Å; T310-F314 PolarHBondContact O-N 3.15Å; I311-F314 PolarHBondContact O-N 2.91Å; N312-F314 PolarHBondContact O-N 3.32Å; F314-T316 PolarHBondContact O-N 3.42Å; F314-Q317 PolarHBondContact O-N 2.79Å; F314-Y318 HydrophobicContact CB-CE2 4.15Å; F314-Y318 WeakPolarHBondContact O-CD1 3.48Å; F314-Y318 WeakPolarHBondContact O-CD2 3.49Å; F314-Y318 PolarHBondContact O-N 3.04Å; F314-P351 HydrophobicContact CD2-CB 3.99Å; F314-P351 HydrophobicContact CE2-CB 4.03Å; F314-A355 HydrophobicContact CB-CB 3.48Å; F314-A355 VanDerWaalsContact CB-CB 3.48Å |
| 315 | L | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -48 | 175.5 | -81.4 | 176.6 | 0 | 0 | 0 | 111.8 | I311 N312 Q317 Y318 F319 A332 M333 A355 A358 | I311-L315 HydrophobicContact CG2-CD1 4.09Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.06Å; N312-L315 PolarHBondContact O-N 3.03Å; L315-Q317 VanDerWaalsContact C-N 3.32Å; L315-Q317 PolarHBondContact O-N 3.23Å; L315-Y318 PolarHBondContact O-N 3.11Å; L315-Y318 VanDerWaalsContact O-N 3.11Å; L315-F319 HydrophobicContact CB-CE2 3.91Å; L315-F319 HydrophobicContact CB-CZ 4.04Å; L315-F319 HydrophobicContact CD2-CE1 4.4Å; L315-F319 HydrophobicContact CD2-CZ 3.93Å; L315-F319 HydrophobicContact CG-CZ 4.45Å; L315-F319 WeakPolarHBondContact O-CD2 3.47Å; L315-F319 VanDerWaalsContact O-CG 3.22Å; L315-F319 WeakPolarHBondContact O-CG 3.48Å; L315-F319 PolarHBondContact O-N 2.87Å; L315-A332 HydrophobicContact CD2-CB 4Å; L315-M333 HydrophobicContact CD1-CG 4.49Å; L315-A355 HydrophobicContact CD2-CB 4.08Å; L315-A355 WeakPolarHBondContact CD2-O 3.48Å; L315-A355 HydrophobicContact CG-CB 3.83Å; L315-A358 HydrophobicContact CD2-CB 4.34Å |
| 316 | T | 93 | Very high | 93.5 | Very high | 26 Ų | 26 | 38 Ų | 38 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 178.7 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | N173 N312 Q313 F314 Y318 F319 C320 | N173-T316 PolarHBondContact ND2-OG1 3.26Å; N312-T316 WeakPolarHBondContact O-CG2 3.4Å; N312-T316 PolarHBondContact O-N 2.91Å; N312-T316 PolarHBondContact O-OG1 3.45Å; Q313-T316 PolarHBondContact O-OG1 3.49Å; F314-T316 PolarHBondContact O-N 3.42Å; T316-Y318 PolarHBondContact O-N 3Å; T316-F319 PolarHBondContact O-N 3.16Å; T316-C320 WeakPolarHBondContact O-CB 3.46Å; T316-C320 PolarHBondContact O-N 3.49Å; T316-C320 PolarHBondContact O-SG 3.35Å |
| 317 | Q | 92.7 | Very high | 93.4 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 172.6 | -72.4 | -176.1 | -7.1 | 0 | 0 | 112.5 | H183 L186 Q313 F314 L315 C320 H321 | H183-Q317 PolarHBondContact CD2-OE1 2.99Å; H183-Q317 VanDerWaalsContact CD2-OE1 3.28Å; L186-Q317 VanDerWaalsContact CD1-NE2 3.34Å; Q313-Q317 WeakPolarHBondContact O-CG 3.34Å; Q313-Q317 PolarHBondContact O-N 3.39Å; Q313-Q317 VanDerWaalsContact O-N 3.17Å; F314-Q317 PolarHBondContact O-N 2.79Å; L315-Q317 VanDerWaalsContact C-N 3.32Å; L315-Q317 PolarHBondContact O-N 3.23Å; Q317-C320 PolarHBondContact O-N 3.31Å; Q317-H321 WeakPolarHBondContact O-CB 3.23Å; Q317-H321 PolarHBondContact O-N 3.09Å |
| 318 | Y | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -38.9 | 178.1 | -58.2 | -22.3 | 0 | 0 | 0 | 112.2 | F314 L315 T316 H321 Q322 S352 A355 A356 W371 L375 M378 | F314-Y318 HydrophobicContact CB-CE2 4.15Å; F314-Y318 WeakPolarHBondContact O-CD1 3.48Å; F314-Y318 WeakPolarHBondContact O-CD2 3.49Å; F314-Y318 PolarHBondContact O-N 3.04Å; L315-Y318 PolarHBondContact O-N 3.11Å; L315-Y318 VanDerWaalsContact O-N 3.11Å; T316-Y318 PolarHBondContact O-N 3Å; Y318-H321 PolarHBondContact O-N 2.89Å; Y318-Q322 PolarHBondContact O-N 3.44Å; Y318-S352 PolarHBondContact OH-O 2.92Å; Y318-A355 HydrophobicContact CD2-CB 4.22Å; Y318-A355 HydrophobicContact CE2-CB 3.65Å; Y318-A356 HydrophobicContact CE2-CB 3.92Å; Y318-W371 HydrophobicContact CD2-CH2 4.33Å; Y318-W371 HydrophobicContact CE2-CH2 4.31Å; Y318-L375 HydrophobicContact CD1-CD2 4.06Å; Y318-L375 HydrophobicContact CG-CD2 4.38Å; Y318-M378 HydrophobicContact CD1-CE 4.01Å; Y318-M378 HydrophobicContact CD1-SD 4.05Å; Y318-M378 HydrophobicContact CE1-SD 3.96Å |
| 319 | F | 92.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 9% | 0.088 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -37 | 174.9 | -54.2 | -36.1 | 0 | 0 | 0 | 112.7 | L315 T316 H321 Q322 V324 E329 A332 Y359 | L315-F319 HydrophobicContact CB-CE2 3.91Å; L315-F319 HydrophobicContact CB-CZ 4.04Å; L315-F319 HydrophobicContact CD2-CE1 4.4Å; L315-F319 HydrophobicContact CD2-CZ 3.93Å; L315-F319 HydrophobicContact CG-CZ 4.45Å; L315-F319 WeakPolarHBondContact O-CD2 3.47Å; L315-F319 VanDerWaalsContact O-CG 3.22Å; L315-F319 WeakPolarHBondContact O-CG 3.48Å; L315-F319 PolarHBondContact O-N 2.87Å; T316-F319 PolarHBondContact O-N 3.16Å; F319-H321 VanDerWaalsContact C-N 3.34Å; F319-Q322 CarbonylContact O-C 3.33Å; F319-Q322 VanDerWaalsContact O-O 3.1Å; F319-V324 HydrophobicContact CB-CG2 4.37Å; F319-V324 HydrophobicContact CD1-CG2 3.54Å; F319-V324 HydrophobicContact CE1-CG2 4.17Å; F319-V324 HydrophobicContact CG-CG2 4.19Å; F319-E329 HydrophobicContact CB-CG 4.48Å; F319-E329 HydrophobicContact CD1-CG 4.07Å; F319-E329 HydrophobicContact CD2-CB 4.27Å; F319-E329 HydrophobicContact CD2-CG 3.92Å; F319-E329 HydrophobicContact CE1-CG 4.26Å; F319-E329 HydrophobicContact CE2-CB 4.02Å; F319-E329 HydrophobicContact CE2-CG 4.13Å; F319-E329 HydrophobicContact CG-CG 3.91Å; F319-E329 HydrophobicContact CZ-CB 4.18Å; F319-E329 HydrophobicContact CZ-CG 4.32Å; F319-A332 HydrophobicContact CE1-CB 4.09Å; F319-A332 HydrophobicContact CZ-CB 3.7Å; F319-Y359 AromaticContact CD1-CD2 3.93Å; F319-Y359 HydrophobicContact CD1-CD2 3.93Å; F319-Y359 HydrophobicContact CD1-CE2 4.08Å; F319-Y359 AromaticContact CE1-CD2 3.71Å; F319-Y359 HydrophobicContact CE1-CD2 3.71Å; F319-Y359 HydrophobicContact CE1-CE2 4.25Å |
| 320 | C | 88.3 | Confident | 93.1 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 37% | 0.365 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.6 | -37.5 | 174.1 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | N171 T316 Q317 | N171-C320 PolarHBondContact ND2-SG 2.63Å; N171-C320 VanDerWaalsContact ND2-SG 3.41Å; T316-C320 WeakPolarHBondContact O-CB 3.46Å; T316-C320 PolarHBondContact O-N 3.49Å; T316-C320 PolarHBondContact O-SG 3.35Å; Q317-C320 PolarHBondContact O-N 3.31Å |
| 321 | H | 87.1 | Confident | 93 | Very high | 96 Ų | 96 | 40.9 Ų | 40.9 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -78.4 | -37.5 | -179.3 | -165 | 78.8 | 0 | 0 | 0 | 113 | Q317 Y318 F319 L375 M378 | Q317-H321 WeakPolarHBondContact O-CB 3.23Å; Q317-H321 PolarHBondContact O-N 3.09Å; Y318-H321 PolarHBondContact O-N 2.89Å; F319-H321 VanDerWaalsContact C-N 3.34Å; H321-L375 HydrophobicContact CB-CD2 4Å; H321-M378 HydrophobicContact CB-CE 3.33Å |
| 322 | Q | 88.1 | Confident | 93 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 33% | 0.327 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -126.2 | 106.2 | 177.7 | -174.3 | 70.2 | 31.4 | 0 | 0 | 109.6 | Y318 F319 V324 Y359 P372 S374 L375 | Y318-Q322 PolarHBondContact O-N 3.44Å; F319-Q322 CarbonylContact O-C 3.33Å; F319-Q322 VanDerWaalsContact O-O 3.1Å; Q322-V324 PolarHBondContact O-N 3.41Å; Q322-Y359 VanDerWaalsContact CG-OH 3.3Å; Q322-Y359 WeakPolarHBondContact CG-OH 3.38Å; Q322-P372 HydrophobicContact CG-CG 4.12Å; Q322-S374 PolarHBondContact OE1-OG 3.11Å; Q322-S374 VanDerWaalsContact OE1-OG 3.05Å; Q322-L375 HydrophobicContact CB-CD1 4.28Å; Q322-L375 HydrophobicContact CB-CG 4.34Å |
| 323 | A | 87 | Confident | 93 | Very high | 90 Ų | 90 | 40.8 Ų | 40.8 | 74% | 0.744 | 22% | 0.219 | S | C | * | . | trans | -57.4 | 128.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 324 | V | 89.3 | Confident | 93.1 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | trans | -131 | 169 | 178.3 | -71 | 0 | 0 | 0 | 0 | 110.1 | F319 Q322 V328 E329 Y359 | F319-V324 HydrophobicContact CB-CG2 4.37Å; F319-V324 HydrophobicContact CD1-CG2 3.54Å; F319-V324 HydrophobicContact CE1-CG2 4.17Å; F319-V324 HydrophobicContact CG-CG2 4.19Å; Q322-V324 PolarHBondContact O-N 3.41Å; V324-V328 HydrophobicContact CB-CB 4.01Å; V324-V328 HydrophobicContact CB-CG1 3.91Å; V324-V328 HydrophobicContact CG1-CG1 4.07Å; V324-V328 HydrophobicContact CG2-CB 4.35Å; V324-V328 HydrophobicContact CG2-CG1 4.14Å; V324-E329 HydrophobicContact CG2-CG 3.58Å; V324-Y359 HydrophobicContact CG1-CE2 3.66Å; V324-Y359 WeakPolarHBondContact CG1-OH 3.47Å | ||
| 325 | T | 92.7 | Very high | 93.1 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 43% | 0.429 | 21% | 0.209 | S | C | . | . | trans | -74.1 | 150.6 | 175.1 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | Q327 V328 E329 | T325-Q327 PolarHBondContact O-N 3.26Å; T325-V328 WeakPolarHBondContact O-CA 3.45Å; T325-V328 WeakPolarHBondContact O-CB 3.34Å; T325-V328 PolarHBondContact O-N 2.93Å; T325-V328 WeakPolarHBondContact OG1-CG2 3.19Å; T325-V328 PolarHBondContact OG1-N 3.18Å; T325-E329 PolarHBondContact O-N 3.25Å; T325-E329 VanDerWaalsContact O-N 3.08Å | ||
| 326 | K | 92.1 | Very high | 93.2 | Very high | 148 Ų | 148 | 38.7 Ų | 38.7 | 64% | 0.643 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -53.5 | -27.7 | 174.2 | -68.2 | -172.8 | 176.5 | -176.2 | 0 | 113.2 | S330 L418 | K326-S330 WeakPolarHBondContact O-CB 3.38Å; K326-S330 PolarHBondContact O-N 3.13Å; K326-S330 PolarHBondContact O-OG 2.84Å; K326-L418 HydrophobicContact CB-CD1 3.86Å |
| 327 | Q | 93.8 | Very high | 93.3 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69 | -41.1 | 175.5 | -167.7 | 178.6 | 15.6 | 0 | 0 | 111.9 | T325 L331 V366 L418 V420 I423 | T325-Q327 PolarHBondContact O-N 3.26Å; Q327-L331 VanDerWaalsContact O-CB 3.25Å; Q327-L331 WeakPolarHBondContact O-CB 3.23Å; Q327-L331 PolarHBondContact O-N 3.38Å; Q327-V366 HydrophobicContact CB-CG1 4.49Å; Q327-V366 HydrophobicContact CG-CG1 4.41Å; Q327-V366 HydrophobicContact CG-CG2 4.18Å; Q327-L418 HydrophobicContact CB-CD1 4.18Å; Q327-V420 HydrophobicContact CG-CG1 4.03Å; Q327-I423 HydrophobicContact CG-CD1 4.11Å |
| 328 | V | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | V324 T325 S330 L331 A332 A362 N363 V366 T367 | V324-V328 HydrophobicContact CB-CB 4.01Å; V324-V328 HydrophobicContact CB-CG1 3.91Å; V324-V328 HydrophobicContact CG1-CG1 4.07Å; V324-V328 HydrophobicContact CG2-CB 4.35Å; V324-V328 HydrophobicContact CG2-CG1 4.14Å; T325-V328 WeakPolarHBondContact O-CA 3.45Å; T325-V328 WeakPolarHBondContact O-CB 3.34Å; T325-V328 PolarHBondContact O-N 2.93Å; T325-V328 WeakPolarHBondContact OG1-CG2 3.19Å; T325-V328 PolarHBondContact OG1-N 3.18Å; V328-S330 PolarHBondContact O-N 3.27Å; V328-L331 PolarHBondContact O-N 2.8Å; V328-A332 VanDerWaalsContact O-CB 3.28Å; V328-A332 WeakPolarHBondContact O-CB 3.45Å; V328-A332 PolarHBondContact O-N 3.37Å; V328-A362 HydrophobicContact CG1-CB 4.2Å; V328-N363 HydrophobicContact CG1-CB 4.2Å; V328-V366 HydrophobicContact CG2-CB 3.67Å; V328-V366 HydrophobicContact CG2-CG1 3.89Å; V328-V366 HydrophobicContact CG2-CG2 4.01Å; V328-T367 HydrophobicContact CG2-CG2 4.14Å |
| 329 | E | 95.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 29% | 0.29 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.2 | -51 | 176.9 | -61.7 | -179.5 | 168.5 | 0 | 0 | 111.1 | F319 V324 T325 L331 A332 M333 | F319-E329 HydrophobicContact CB-CG 4.48Å; F319-E329 HydrophobicContact CD1-CG 4.07Å; F319-E329 HydrophobicContact CD2-CB 4.27Å; F319-E329 HydrophobicContact CD2-CG 3.92Å; F319-E329 HydrophobicContact CE1-CG 4.26Å; F319-E329 HydrophobicContact CE2-CB 4.02Å; F319-E329 HydrophobicContact CE2-CG 4.13Å; F319-E329 HydrophobicContact CG-CG 3.91Å; F319-E329 HydrophobicContact CZ-CB 4.18Å; F319-E329 HydrophobicContact CZ-CG 4.32Å; V324-E329 HydrophobicContact CG2-CG 3.58Å; T325-E329 PolarHBondContact O-N 3.25Å; T325-E329 VanDerWaalsContact O-N 3.08Å; E329-L331 PolarHBondContact O-N 3.46Å; E329-A332 PolarHBondContact O-N 3.1Å; E329-M333 WeakPolarHBondContact O-CG 3.37Å; E329-M333 PolarHBondContact O-N 3.02Å |
| 330 | S | 95.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | -179.7 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | K326 V328 M333 Y334 Y412 | K326-S330 WeakPolarHBondContact O-CB 3.38Å; K326-S330 PolarHBondContact O-N 3.13Å; K326-S330 PolarHBondContact O-OG 2.84Å; V328-S330 PolarHBondContact O-N 3.27Å; S330-M333 PolarHBondContact O-N 3.39Å; S330-Y334 WeakPolarHBondContact O-CB 3.4Å; S330-Y334 PolarHBondContact O-N 3.46Å; S330-Y412 WeakPolarHBondContact O-CE1 3.07Å |
| 331 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.1 | -38.6 | 178.8 | -177.6 | 62.9 | 0 | 0 | 0 | 112 | Q327 V328 E329 Y334 L335 A362 T365 V366 V420 I423 | Q327-L331 VanDerWaalsContact O-CB 3.25Å; Q327-L331 WeakPolarHBondContact O-CB 3.23Å; Q327-L331 PolarHBondContact O-N 3.38Å; V328-L331 PolarHBondContact O-N 2.8Å; E329-L331 PolarHBondContact O-N 3.46Å; L331-Y334 HydrophobicContact CD1-CD1 3.9Å; L331-Y334 WeakPolarHBondContact O-CB 3.34Å; L331-Y334 PolarHBondContact O-N 2.98Å; L331-L335 HydrophobicContact CG-CD1 4.37Å; L331-L335 VanDerWaalsContact O-CG 3.26Å; L331-L335 WeakPolarHBondContact O-CG 3.32Å; L331-L335 PolarHBondContact O-N 3.04Å; L331-A362 HydrophobicContact CB-CB 3.98Å; L331-A362 HydrophobicContact CD2-CB 4.02Å; L331-A362 HydrophobicContact CG-CB 3.87Å; L331-T365 HydrophobicContact CD2-CG2 3.96Å; L331-V366 HydrophobicContact CD2-CG2 3.83Å; L331-V420 HydrophobicContact CB-CB 4.13Å; L331-V420 HydrophobicContact CB-CG1 4.15Å; L331-V420 HydrophobicContact CD1-CB 4.15Å; L331-I423 HydrophobicContact CD2-CD1 4.49Å |
| 332 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L315 F319 V328 E329 L335 G336 A362 | L315-A332 HydrophobicContact CD2-CB 4Å; F319-A332 HydrophobicContact CE1-CB 4.09Å; F319-A332 HydrophobicContact CZ-CB 3.7Å; V328-A332 VanDerWaalsContact O-CB 3.28Å; V328-A332 WeakPolarHBondContact O-CB 3.45Å; V328-A332 PolarHBondContact O-N 3.37Å; E329-A332 PolarHBondContact O-N 3.1Å; A332-L335 PolarHBondContact O-N 3.09Å; A332-G336 PolarHBondContact O-N 3.5Å; A332-A362 HydrophobicContact CB-CB 3.71Å |
| 333 | M | 96.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 29.1 Ų | 29.1 | 17% | 0.167 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 172.7 | -69.5 | -172.8 | -69.5 | 0 | 0 | 112 | L315 E329 S330 L335 G336 E337 Y412 | L315-M333 HydrophobicContact CD1-CG 4.49Å; E329-M333 WeakPolarHBondContact O-CG 3.37Å; E329-M333 PolarHBondContact O-N 3.02Å; S330-M333 PolarHBondContact O-N 3.39Å; M333-L335 PolarHBondContact O-N 2.85Å; M333-G336 PolarHBondContact O-N 2.91Å; M333-E337 PolarHBondContact O-N 2.92Å; M333-Y412 HydrophobicContact CB-CE1 4.07Å; M333-Y412 WeakPolarHBondContact CB-OH 3.42Å |
| 334 | Y | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 174 | 166.9 | -112.1 | 0 | 0 | 0 | 112.1 | S330 L331 G336 E337 L338 Y397 V408 R409 Y412 | S330-Y334 WeakPolarHBondContact O-CB 3.4Å; S330-Y334 PolarHBondContact O-N 3.46Å; L331-Y334 HydrophobicContact CD1-CD1 3.9Å; L331-Y334 WeakPolarHBondContact O-CB 3.34Å; L331-Y334 PolarHBondContact O-N 2.98Å; Y334-G336 VanDerWaalsContact C-N 3.34Å; Y334-G336 PolarHBondContact O-N 3.42Å; Y334-E337 PolarHBondContact O-N 3.32Å; Y334-L338 HydrophobicContact CD1-CD1 4.29Å; Y334-L338 HydrophobicContact CD2-CG 4.37Å; Y334-L338 HydrophobicContact CE1-CD1 3.66Å; Y334-L338 HydrophobicContact CE1-CG 4.39Å; Y334-L338 HydrophobicContact CE2-CD1 4.04Å; Y334-L338 HydrophobicContact CE2-CD2 4.04Å; Y334-L338 HydrophobicContact CE2-CG 3.95Å; Y334-L338 WeakPolarHBondContact O-CG 3.47Å; Y334-L338 PolarHBondContact O-N 3.35Å; Y334-Y397 AromaticContact CE1-CD2 3.88Å; Y334-Y397 HydrophobicContact CE1-CD2 3.88Å; Y334-Y397 AromaticContact CE1-CE2 3.77Å; Y334-Y397 HydrophobicContact CE1-CE2 3.77Å; Y334-V408 HydrophobicContact CD2-CG1 3.91Å; Y334-V408 HydrophobicContact CE2-CG1 4.04Å; Y334-R409 HydrophobicContact CE2-CG 4Å; Y334-R409 WeakPolarHBondContact OH-CG 3.49Å; Y334-Y412 HydrophobicContact CD2-CD1 4.38Å; Y334-Y412 AromaticContact CD2-CD2 3.8Å; Y334-Y412 HydrophobicContact CD2-CD2 3.8Å; Y334-Y412 AromaticContact CD2-CG 3.7Å; Y334-Y412 HydrophobicContact CD2-CG 3.7Å; Y334-Y412 HydrophobicContact CG-CD1 4.36Å; Y334-Y412 HydrophobicContact CG-CD2 4.49Å; Y334-Y412 HydrophobicContact CG-CG 4.12Å |
| 335 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 178 | -68.1 | 170 | 0 | 0 | 0 | 111.6 | L331 A332 M333 E337 L338 S339 A358 L361 A362 L393 Y397 | L331-L335 HydrophobicContact CG-CD1 4.37Å; L331-L335 VanDerWaalsContact O-CG 3.26Å; L331-L335 WeakPolarHBondContact O-CG 3.32Å; L331-L335 PolarHBondContact O-N 3.04Å; A332-L335 PolarHBondContact O-N 3.09Å; M333-L335 PolarHBondContact O-N 2.85Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 3Å; L335-L338 HydrophobicContact CD2-CD1 4.39Å; L335-L338 PolarHBondContact O-N 3.34Å; L335-S339 PolarHBondContact O-N 3.33Å; L335-A358 HydrophobicContact CB-CB 4.02Å; L335-L361 HydrophobicContact CD1-CB 3.9Å; L335-L361 HydrophobicContact CD1-CD2 3.84Å; L335-L361 HydrophobicContact CD1-CG 3.77Å; L335-L361 HydrophobicContact CD2-CD2 4Å; L335-A362 HydrophobicContact CD1-CB 4.17Å; L335-L393 HydrophobicContact CB-CD2 4.18Å; L335-L393 HydrophobicContact CB-CG 4.49Å; L335-Y397 HydrophobicContact CD2-CD1 3.82Å; L335-Y397 HydrophobicContact CD2-CD2 3.98Å; L335-Y397 HydrophobicContact CD2-CE1 4.43Å; L335-Y397 HydrophobicContact CD2-CG 3.57Å |
| 336 | G | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y233 A332 M333 Y334 S339 | Y233-G336 WeakPolarHBondContact OH-CA 3.35Å; A332-G336 PolarHBondContact O-N 3.5Å; M333-G336 PolarHBondContact O-N 2.91Å; Y334-G336 VanDerWaalsContact C-N 3.34Å; Y334-G336 PolarHBondContact O-N 3.42Å; G336-S339 WeakPolarHBondContact O-CB 3.29Å; G336-S339 PolarHBondContact O-N 3.09Å; G336-S339 PolarHBondContact O-OG 3.08Å |
| 337 | E | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.6 | -34.7 | 179.8 | -79 | -172.2 | -138.8 | 0 | 0 | 112.7 | N229 L232 Y233 M333 Y334 L335 S339 L340 V408 K411 Y412 | N229-E337 VanDerWaalsContact CG-OE1 3.27Å; N229-E337 PolarHBondContact ND2-OE1 3.49Å; N229-E337 PolarHBondContact OD1-OE1 3.49Å; L232-E337 HydrophobicContact CD2-CG 4.48Å; Y233-E337 HydrophobicContact CE2-CG 3.99Å; Y233-E337 WeakPolarHBondContact OH-CG 3.37Å; Y233-E337 PolarHBondContact OH-N 3.34Å; M333-E337 PolarHBondContact O-N 2.92Å; Y334-E337 PolarHBondContact O-N 3.32Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 3Å; E337-S339 PolarHBondContact O-N 3.12Å; E337-L340 WeakPolarHBondContact O-CB 3.22Å; E337-L340 PolarHBondContact O-N 2.66Å; E337-V408 HydrophobicContact CB-CG1 3.77Å; E337-K411 IonicContact OE1-NZ 2.82Å; E337-K411 PolarHBondContact OE1-NZ 2.86Å; E337-K411 IonicContact OE2-NZ 3.72Å; E337-K411 PolarHBondContact OE2-NZ 3.32Å; E337-Y412 HydrophobicContact CB-CE2 4.37Å; E337-Y412 VanDerWaalsContact CD-CE2 3.5Å; E337-Y412 VanDerWaalsContact CD-OH 3.29Å; E337-Y412 HydrophobicContact CG-CE2 4.36Å; E337-Y412 WeakPolarHBondContact OE1-CE2 3.46Å; E337-Y412 PolarHBondContact OE1-OH 2.8Å; E337-Y412 WeakPolarHBondContact OE2-CE2 3.47Å |
| 338 | L | 96.3 | Very high | 94.7 | Very high | 15 Ų | 15 | 22.2 Ų | 22.2 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.4 | -37 | 171.2 | -73.7 | -179.9 | 0 | 0 | 0 | 111.6 | Y334 L335 L340 V341 T396 A400 V408 | Y334-L338 HydrophobicContact CD1-CD1 4.29Å; Y334-L338 HydrophobicContact CD2-CG 4.37Å; Y334-L338 HydrophobicContact CE1-CD1 3.66Å; Y334-L338 HydrophobicContact CE1-CG 4.39Å; Y334-L338 HydrophobicContact CE2-CD1 4.04Å; Y334-L338 HydrophobicContact CE2-CD2 4.04Å; Y334-L338 HydrophobicContact CE2-CG 3.95Å; Y334-L338 WeakPolarHBondContact O-CG 3.47Å; Y334-L338 PolarHBondContact O-N 3.35Å; L335-L338 HydrophobicContact CD2-CD1 4.39Å; L335-L338 PolarHBondContact O-N 3.34Å; L338-L340 PolarHBondContact O-N 2.98Å; L338-V341 PolarHBondContact O-N 2.84Å; L338-T396 HydrophobicContact CB-CG2 4.22Å; L338-A400 HydrophobicContact CD1-CB 4.17Å; L338-V408 HydrophobicContact CD2-CB 4.16Å; L338-V408 HydrophobicContact CD2-CG1 3.92Å; L338-V408 HydrophobicContact CG-CG1 4.22Å |
| 339 | S | 96.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -19.9 | 178.7 | 82.8 | 0 | 0 | 0 | 0 | 113.7 | I311 L335 G336 E337 F346 M354 | I311-S339 WeakPolarHBondContact CD1-OG 3.47Å; L335-S339 PolarHBondContact O-N 3.33Å; G336-S339 WeakPolarHBondContact O-CB 3.29Å; G336-S339 PolarHBondContact O-N 3.09Å; G336-S339 PolarHBondContact O-OG 3.08Å; E337-S339 PolarHBondContact O-N 3.12Å; S339-F346 VanDerWaalsContact CA-CD2 3.49Å; S339-F346 WeakPolarHBondContact O-CD2 3.47Å; S339-M354 WeakPolarHBondContact OG-CG 3.33Å |
| 340 | L | 96.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -74.7 | -31.2 | 178.1 | -60.6 | -178.6 | 0 | 0 | 0 | 112.6 | R211 V215 L232 Y233 V236 I311 E337 L338 | R211-L340 PolarHBondContact NH1-O 3.45Å; R211-L340 PolarHBondContact NH2-O 3.33Å; V215-L340 HydrophobicContact CG1-CB 4.06Å; L232-L340 HydrophobicContact CD2-CD1 4.19Å; L232-L340 HydrophobicContact CG-CD1 4.17Å; Y233-L340 HydrophobicContact CD1-CD1 3.66Å; Y233-L340 HydrophobicContact CD1-CD2 3.64Å; Y233-L340 HydrophobicContact CD1-CG 4.05Å; Y233-L340 HydrophobicContact CD2-CD1 4.46Å; Y233-L340 HydrophobicContact CE1-CD1 3.61Å; Y233-L340 HydrophobicContact CE1-CD2 3.73Å; Y233-L340 HydrophobicContact CE1-CG 3.79Å; Y233-L340 HydrophobicContact CE2-CD1 4.43Å; Y233-L340 HydrophobicContact CG-CD1 4.08Å; V236-L340 HydrophobicContact CB-CD2 4.46Å; V236-L340 HydrophobicContact CG1-CB 4.49Å; V236-L340 HydrophobicContact CG1-CD2 4.16Å; V236-L340 HydrophobicContact CG2-CB 4.48Å; V236-L340 HydrophobicContact CG2-CD1 4.36Å; I311-L340 HydrophobicContact CD1-CD2 4.28Å; E337-L340 WeakPolarHBondContact O-CB 3.22Å; E337-L340 PolarHBondContact O-N 2.66Å; L338-L340 PolarHBondContact O-N 2.98Å |
| 341 | V | 95.3 | Very high | 95 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.2 | -48.5 | -176 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | R211 A212 V215 L338 Q405 V408 | R211-V341 PolarHBondContact NH1-O 3.31Å; R211-V341 VanDerWaalsContact NH1-O 3.15Å; A212-V341 WeakPolarHBondContact CA-O 3.14Å; A212-V341 HydrophobicContact CB-CG1 3.86Å; V215-V341 HydrophobicContact CG1-CG2 4.38Å; L338-V341 PolarHBondContact O-N 2.84Å; V341-Q405 HydrophobicContact CG1-CB 3.86Å; V341-Q405 HydrophobicContact CG1-CG 4.03Å; V341-V408 HydrophobicContact CG2-CG2 3.89Å |
| 342 | D | 92.2 | Very high | 95 | Very high | 36 Ų | 36 | 22.5 Ų | 22.5 | 19% | 0.193 | 12% | 0.116 | C | C | . | . | trans | -92.4 | 109.9 | -177.8 | -69 | -39.3 | 0 | 0 | 0 | 111.9 | D344 F346 H403 | D342-D344 VanDerWaalsContact C-N 3.31Å; D342-D344 PolarHBondContact O-N 3.4Å; D342-F346 HydrophobicContact CB-CD2 3.81Å; D342-F346 HydrophobicContact CB-CE2 3.9Å; D342-F346 WeakPolarHBondContact O-CD2 3.4Å; D342-H403 IonicContact OD1-CE1 2.71Å; D342-H403 IonicContact OD1-NE2 3.61Å; D342-H403 PolarHBondContact OD1-NE2 3.12Å; D342-H403 IonicContact OD2-NE2 3.51Å | ||
| 343 | S | 88.8 | Confident | 95 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 5% | 0.049 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.2 | -29.3 | 175.4 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | N208 F346 L347 | N208-S343 PolarHBondContact OD1-OG 3.31Å; S343-F346 PolarHBondContact O-N 3.05Å; S343-L347 VanDerWaalsContact O-CB 3.31Å; S343-L347 WeakPolarHBondContact O-CB 3.5Å; S343-L347 VanDerWaalsContact O-CG 3.23Å; S343-L347 WeakPolarHBondContact O-CG 3.4Å; S343-L347 PolarHBondContact O-N 2.77Å |
| 344 | D | 88.3 | Confident | 95 | Very high | 117 Ų | 117 | 23.1 Ų | 23.1 | 63% | 0.626 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -120.2 | 115.7 | 178.8 | -174.2 | 14.1 | 0 | 0 | 0 | 107 | D342 | D342-D344 VanDerWaalsContact C-N 3.31Å; D342-D344 PolarHBondContact O-N 3.4Å |
| 345 | P | 91.6 | Very high | 95 | Very high | 24 Ų | 24 | 23 Ų | 23 | 16% | 0.156 | 12% | 0.118 | C | C | . | . | H | α-helix | cis | -89.9 | -7.2 | 17.6 | 32.8 | -33.6 | 0 | 0 | 0 | 116.9 | L347 K348 D392 | P345-L347 PolarHBondContact O-N 2.87Å; P345-K348 HydrophobicContact CB-CD 3.99Å; P345-K348 WeakPolarHBondContact O-CB 3.37Å; P345-K348 VanDerWaalsContact O-CD 3.3Å; P345-K348 WeakPolarHBondContact O-CD 3.38Å; P345-K348 WeakPolarHBondContact O-CG 3.47Å; P345-K348 PolarHBondContact O-N 3.1Å; P345-K348 VanDerWaalsContact O-N 3.1Å; P345-D392 HydrophobicContact CG-CB 3.7Å |
| 346 | F | 94.6 | Very high | 95 | Very high | 12 Ų | 12 | 23 Ų | 23 | 5% | 0.053 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71 | -24.1 | -156.3 | -58.9 | -55.2 | 0 | 0 | 0 | 116.6 | S339 D342 S343 K348 Y349 M354 D392 L393 T396 | S339-F346 VanDerWaalsContact CA-CD2 3.49Å; S339-F346 WeakPolarHBondContact O-CD2 3.47Å; D342-F346 HydrophobicContact CB-CD2 3.81Å; D342-F346 HydrophobicContact CB-CE2 3.9Å; D342-F346 WeakPolarHBondContact O-CD2 3.4Å; S343-F346 PolarHBondContact O-N 3.05Å; F346-K348 PolarHBondContact O-N 3.19Å; F346-K348 VanDerWaalsContact O-N 3.08Å; F346-Y349 HydrophobicContact CD1-CD2 4.24Å; F346-Y349 HydrophobicContact CD1-CE2 4.46Å; F346-Y349 PolarHBondContact O-N 3.15Å; F346-M354 HydrophobicContact CB-CE 4.09Å; F346-M354 HydrophobicContact CD1-CE 3.31Å; F346-M354 HydrophobicContact CD1-SD 4.16Å; F346-M354 HydrophobicContact CE1-CE 4.03Å; F346-M354 HydrophobicContact CE1-SD 4.45Å; F346-M354 HydrophobicContact CG-CE 4.03Å; F346-D392 HydrophobicContact CE1-CB 4.13Å; F346-L393 HydrophobicContact CE1-CB 4.31Å; F346-L393 HydrophobicContact CE1-CD1 4.13Å; F346-L393 HydrophobicContact CZ-CD1 4.07Å; F346-T396 HydrophobicContact CE2-CG2 4.22Å; F346-T396 HydrophobicContact CZ-CG2 4.33Å; F346-T396 VanDerWaalsContact CZ-OG1 3.29Å; F346-T396 WeakPolarHBondContact CZ-OG1 3.49Å |
| 347 | L | 93.1 | Very high | 95 | Very high | 24 Ų | 24 | 23 Ų | 23 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14 | 173.5 | -69.4 | 177.6 | 0 | 0 | 0 | 113.7 | R194 P195 A197 Y199 D240 S343 P345 Y349 | R194-L347 PolarHBondContact NH2-O 3.3Å; P195-L347 HydrophobicContact CB-CD2 4.35Å; P195-L347 HydrophobicContact CG-CD2 4.31Å; A197-L347 HydrophobicContact CB-CB 4.15Å; Y199-L347 HydrophobicContact CD1-CD1 4.2Å; Y199-L347 HydrophobicContact CE1-CD1 3.57Å; D240-L347 HydrophobicContact CB-CD2 4.47Å; S343-L347 VanDerWaalsContact O-CB 3.31Å; S343-L347 WeakPolarHBondContact O-CB 3.5Å; S343-L347 VanDerWaalsContact O-CG 3.23Å; S343-L347 WeakPolarHBondContact O-CG 3.4Å; S343-L347 PolarHBondContact O-N 2.77Å; P345-L347 PolarHBondContact O-N 2.87Å; L347-Y349 VanDerWaalsContact C-N 3.31Å |
| 348 | K | 93.2 | Very high | 95 | Very high | 97 Ų | 97 | 23 Ų | 23 | 42% | 0.422 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.5 | 175.4 | 88.1 | -162.3 | 176.9 | -176.3 | 0 | 113.3 | R194 P345 F346 D392 | R194-K348 VanDerWaalsContact NH2-CA 3.33Å; R194-K348 PolarHBondContact NH2-O 2.94Å; P345-K348 HydrophobicContact CB-CD 3.99Å; P345-K348 WeakPolarHBondContact O-CB 3.37Å; P345-K348 VanDerWaalsContact O-CD 3.3Å; P345-K348 WeakPolarHBondContact O-CD 3.38Å; P345-K348 WeakPolarHBondContact O-CG 3.47Å; P345-K348 PolarHBondContact O-N 3.1Å; P345-K348 VanDerWaalsContact O-N 3.1Å; F346-K348 PolarHBondContact O-N 3.19Å; F346-K348 VanDerWaalsContact O-N 3.08Å; K348-D392 WeakPolarHBondContact CE-OD2 3.48Å; K348-D392 IonicContact NZ-OD2 2.66Å; K348-D392 PolarHBondContact NZ-OD2 2.95Å |
| 349 | Y | 95.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 22.4 Ų | 22.4 | 11% | 0.114 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -101.1 | 154.5 | 177.3 | -58.5 | -62.5 | 0 | 0 | 0 | 111.4 | F346 L347 M354 P388 C389 D392 | F346-Y349 HydrophobicContact CD1-CD2 4.24Å; F346-Y349 HydrophobicContact CD1-CE2 4.46Å; F346-Y349 PolarHBondContact O-N 3.15Å; L347-Y349 VanDerWaalsContact C-N 3.31Å; Y349-M354 HydrophobicContact CD2-CE 3.6Å; Y349-M354 HydrophobicContact CG-CE 4.08Å; Y349-P388 HydrophobicContact CE1-CB 4.39Å; Y349-P388 PolarHBondContact OH-O 3.01Å; Y349-C389 HydrophobicContact CD1-CB 3.84Å; Y349-C389 HydrophobicContact CD2-CB 4.26Å; Y349-C389 HydrophobicContact CE1-CB 3.69Å; Y349-C389 HydrophobicContact CE2-CB 4.09Å; Y349-C389 HydrophobicContact CG-CB 4.12Å; Y349-C389 VanDerWaalsContact CZ-CA 3.42Å; Y349-C389 PolarHBondContact OH-N 2.99Å; Y349-D392 HydrophobicContact CE2-CB 4.27Å; Y349-D392 WeakPolarHBondContact CE2-OD2 3.45Å; Y349-D392 PolarHBondContact OH-OD2 2.94Å |
| 350 | L | 96.6 | Very high | 94.8 | Very high | 23 Ų | 23 | 22.1 Ų | 22.1 | 12% | 0.12 | 11% | 0.113 | C | C | . | . | trans | -81.7 | 152.9 | 170.1 | -67.6 | 174.3 | 0 | 0 | 0 | 110.7 | E190 V191 R194 S352 Q353 M354 | E190-L350 HydrophobicContact CG-CD2 4.36Å; V191-L350 HydrophobicContact CG2-CD1 4.27Å; V191-L350 HydrophobicContact CG2-CD2 4.36Å; R194-L350 HydrophobicContact CG-CD2 4.46Å; L350-S352 VanDerWaalsContact C-N 3.26Å; L350-S352 PolarHBondContact O-N 2.8Å; L350-Q353 HydrophobicContact CB-CG 4.2Å; L350-Q353 VanDerWaalsContact N-OE1 3.1Å; L350-Q353 WeakPolarHBondContact O-CB 3.31Å; L350-Q353 PolarHBondContact O-N 3.27Å; L350-Q353 VanDerWaalsContact O-N 3.1Å; L350-M354 PolarHBondContact O-N 3Å | ||
| 351 | P | 97.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 21.4 Ų | 21.4 | 17% | 0.169 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -50.1 | -42.4 | 173.9 | -28.4 | 34 | 0 | 0 | 0 | 114 | E190 I311 F314 Q353 M354 A355 | E190-P351 HydrophobicContact CB-CG 4.2Å; E190-P351 WeakPolarHBondContact OE2-CD 3.47Å; I311-P351 HydrophobicContact CG1-CB 4.08Å; F314-P351 HydrophobicContact CD2-CB 3.99Å; F314-P351 HydrophobicContact CE2-CB 4.03Å; P351-Q353 PolarHBondContact O-N 3.35Å; P351-M354 PolarHBondContact O-N 3.33Å; P351-A355 WeakPolarHBondContact O-CB 3.4Å; P351-A355 PolarHBondContact O-N 3.22Å |
| 352 | S | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 178.4 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | R187 E190 Y318 L350 A356 Y381 | R187-S352 PolarHBondContact NE-OG 3.06Å; E190-S352 VanDerWaalsContact CD-OG 3.23Å; E190-S352 WeakPolarHBondContact OE1-CB 3.35Å; E190-S352 PolarHBondContact OE1-OG 2.75Å; E190-S352 VanDerWaalsContact OE2-CB 3.27Å; E190-S352 WeakPolarHBondContact OE2-CB 3.36Å; E190-S352 PolarHBondContact OE2-N 2.97Å; E190-S352 PolarHBondContact OE2-OG 3.18Å; E190-S352 VanDerWaalsContact OE2-OG 3.05Å; Y318-S352 PolarHBondContact OH-O 2.92Å; L350-S352 VanDerWaalsContact C-N 3.26Å; L350-S352 PolarHBondContact O-N 2.8Å; S352-A356 WeakPolarHBondContact O-CB 3.39Å; S352-A356 PolarHBondContact O-N 2.92Å; S352-Y381 PolarHBondContact OG-OH 3.36Å |
| 353 | Q | 96.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 20.1 Ų | 20.1 | 20% | 0.201 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70 | -42.6 | 176.6 | -65.3 | 179.3 | -47.4 | 0 | 0 | 111 | L350 P351 A356 A357 Y381 L386 | L350-Q353 HydrophobicContact CB-CG 4.2Å; L350-Q353 VanDerWaalsContact N-OE1 3.1Å; L350-Q353 WeakPolarHBondContact O-CB 3.31Å; L350-Q353 PolarHBondContact O-N 3.27Å; L350-Q353 VanDerWaalsContact O-N 3.1Å; P351-Q353 PolarHBondContact O-N 3.35Å; Q353-A356 PolarHBondContact O-N 3.09Å; Q353-A357 WeakPolarHBondContact O-CB 3.13Å; Q353-A357 PolarHBondContact O-N 2.88Å; Q353-Y381 HydrophobicContact CG-CE1 3.91Å; Q353-Y381 HydrophobicContact CG-CE2 3.93Å; Q353-Y381 VanDerWaalsContact CG-CZ 3.46Å; Q353-Y381 WeakPolarHBondContact CG-OH 3.36Å; Q353-L386 HydrophobicContact CB-CD2 4.41Å |
| 354 | M | 97.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.02 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.9 | -170.8 | 53.2 | 58.5 | 0 | 0 | 111.4 | I311 S339 F346 Y349 L350 P351 A356 A357 A358 C389 L393 | I311-M354 HydrophobicContact CD1-CB 3.89Å; I311-M354 HydrophobicContact CD1-CG 3.47Å; I311-M354 VanDerWaalsContact CD1-CG 3.47Å; I311-M354 HydrophobicContact CG1-CB 3.97Å; I311-M354 HydrophobicContact CG1-CG 4.05Å; I311-M354 HydrophobicContact CG2-CB 4.46Å; I311-M354 HydrophobicContact CG2-CG 4.28Å; S339-M354 WeakPolarHBondContact OG-CG 3.33Å; F346-M354 HydrophobicContact CB-CE 4.09Å; F346-M354 HydrophobicContact CD1-CE 3.31Å; F346-M354 HydrophobicContact CD1-SD 4.16Å; F346-M354 HydrophobicContact CE1-CE 4.03Å; F346-M354 HydrophobicContact CE1-SD 4.45Å; F346-M354 HydrophobicContact CG-CE 4.03Å; Y349-M354 HydrophobicContact CD2-CE 3.6Å; Y349-M354 HydrophobicContact CG-CE 4.08Å; L350-M354 PolarHBondContact O-N 3Å; P351-M354 PolarHBondContact O-N 3.33Å; M354-A356 VanDerWaalsContact C-N 3.33Å; M354-A356 PolarHBondContact O-N 3.49Å; M354-A357 PolarHBondContact O-N 2.78Å; M354-A358 VanDerWaalsContact O-CB 3.31Å; M354-A358 WeakPolarHBondContact O-CB 3.42Å; M354-A358 PolarHBondContact O-N 3.03Å; M354-C389 WeakPolarHBondContact CE-SG 3.5Å; M354-L393 HydrophobicContact SD-CD1 4.19Å; M354-L393 HydrophobicContact SD-CD2 4.18Å |
| 355 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I311 F314 L315 Y318 P351 A358 Y359 | I311-A355 HydrophobicContact CG2-CB 3.95Å; I311-A355 WeakPolarHBondContact O-CB 3.48Å; F314-A355 HydrophobicContact CB-CB 3.48Å; F314-A355 VanDerWaalsContact CB-CB 3.48Å; L315-A355 HydrophobicContact CD2-CB 4.08Å; L315-A355 WeakPolarHBondContact CD2-O 3.48Å; L315-A355 HydrophobicContact CG-CB 3.83Å; Y318-A355 HydrophobicContact CD2-CB 4.22Å; Y318-A355 HydrophobicContact CE2-CB 3.65Å; P351-A355 WeakPolarHBondContact O-CB 3.4Å; P351-A355 PolarHBondContact O-N 3.22Å; A355-A358 PolarHBondContact O-N 3.47Å; A355-Y359 WeakPolarHBondContact O-CB 3.1Å; A355-Y359 PolarHBondContact O-N 2.82Å |
| 356 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.3 | -42.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y318 S352 Q353 M354 Y359 V360 W371 L386 | Y318-A356 HydrophobicContact CE2-CB 3.92Å; S352-A356 WeakPolarHBondContact O-CB 3.39Å; S352-A356 PolarHBondContact O-N 2.92Å; Q353-A356 PolarHBondContact O-N 3.09Å; M354-A356 VanDerWaalsContact C-N 3.33Å; M354-A356 PolarHBondContact O-N 3.49Å; A356-Y359 PolarHBondContact O-N 3.11Å; A356-V360 VanDerWaalsContact O-CG2 3.28Å; A356-V360 WeakPolarHBondContact O-CG2 3.45Å; A356-V360 PolarHBondContact O-N 3.21Å; A356-W371 HydrophobicContact CB-CH2 3.64Å; A356-W371 HydrophobicContact CB-CZ2 4.1Å; A356-W371 HydrophobicContact CB-CZ3 4.08Å; A356-L386 HydrophobicContact CB-CD1 3.7Å; A356-L386 HydrophobicContact CB-CD2 3.78Å; A356-L386 HydrophobicContact CB-CG 4.41Å |
| 357 | A | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q353 M354 V360 L361 C389 I390 L393 | Q353-A357 WeakPolarHBondContact O-CB 3.13Å; Q353-A357 PolarHBondContact O-N 2.88Å; M354-A357 PolarHBondContact O-N 2.78Å; A357-V360 PolarHBondContact O-N 3.37Å; A357-L361 VanDerWaalsContact O-CB 3.31Å; A357-L361 WeakPolarHBondContact O-CB 3.11Å; A357-L361 PolarHBondContact O-N 3.42Å; A357-C389 HydrophobicContact CB-CB 3.93Å; A357-C389 VanDerWaalsContact CB-SG 3.51Å; A357-I390 HydrophobicContact CB-CG1 3.69Å; A357-L393 HydrophobicContact CB-CD2 4.24Å |
| 358 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L315 L335 M354 A355 A362 L393 | L315-A358 HydrophobicContact CD2-CB 4.34Å; L335-A358 HydrophobicContact CB-CB 4.02Å; M354-A358 VanDerWaalsContact O-CB 3.31Å; M354-A358 WeakPolarHBondContact O-CB 3.42Å; M354-A358 PolarHBondContact O-N 3.03Å; A355-A358 PolarHBondContact O-N 3.47Å; A358-A362 VanDerWaalsContact O-CB 3.23Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.22Å; A358-L393 HydrophobicContact CB-CD2 3.95Å |
| 359 | Y | 95.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 173.4 | 176.1 | -81.6 | 0 | 0 | 0 | 111.5 | F319 Q322 V324 A355 A356 L361 A362 N363 W371 P372 L375 | F319-Y359 AromaticContact CD1-CD2 3.93Å; F319-Y359 HydrophobicContact CD1-CD2 3.93Å; F319-Y359 HydrophobicContact CD1-CE2 4.08Å; F319-Y359 AromaticContact CE1-CD2 3.71Å; F319-Y359 HydrophobicContact CE1-CD2 3.71Å; F319-Y359 HydrophobicContact CE1-CE2 4.25Å; Q322-Y359 VanDerWaalsContact CG-OH 3.3Å; Q322-Y359 WeakPolarHBondContact CG-OH 3.38Å; V324-Y359 HydrophobicContact CG1-CE2 3.66Å; V324-Y359 WeakPolarHBondContact CG1-OH 3.47Å; A355-Y359 WeakPolarHBondContact O-CB 3.1Å; A355-Y359 PolarHBondContact O-N 2.82Å; A356-Y359 PolarHBondContact O-N 3.11Å; Y359-L361 VanDerWaalsContact C-N 3.34Å; Y359-L361 PolarHBondContact O-N 3.49Å; Y359-A362 PolarHBondContact O-N 3.27Å; Y359-N363 HydrophobicContact CE1-CB 4.24Å; Y359-N363 WeakPolarHBondContact O-CB 3.43Å; Y359-N363 PolarHBondContact O-N 3.01Å; Y359-W371 AromaticContact CD1-CE3 3.64Å; Y359-W371 HydrophobicContact CD1-CE3 3.64Å; Y359-W371 AromaticContact CD1-CZ3 3.47Å; Y359-W371 HydrophobicContact CD1-CZ3 3.47Å; Y359-W371 VanDerWaalsContact CD1-CZ3 3.47Å; Y359-W371 HydrophobicContact CE1-CE3 4.03Å; Y359-W371 HydrophobicContact CE1-CZ3 4.08Å; Y359-W371 HydrophobicContact CG-CZ3 4.03Å; Y359-P372 HydrophobicContact CE1-CG 4.3Å; Y359-L375 HydrophobicContact CD1-CD1 4.14Å; Y359-L375 HydrophobicContact CE1-CD1 3.74Å; Y359-L375 HydrophobicContact CE2-CD1 4.21Å |
| 360 | V | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | -178.2 | 171 | 0 | 0 | 0 | 0 | 110.7 | A356 A357 N363 N364 W371 L383 I390 L431 | A356-V360 VanDerWaalsContact O-CG2 3.28Å; A356-V360 WeakPolarHBondContact O-CG2 3.45Å; A356-V360 PolarHBondContact O-N 3.21Å; A357-V360 PolarHBondContact O-N 3.37Å; V360-N363 PolarHBondContact O-N 3.44Å; V360-N364 WeakPolarHBondContact O-CB 3.5Å; V360-N364 PolarHBondContact O-N 3.06Å; V360-W371 HydrophobicContact CG2-CB 3.76Å; V360-W371 HydrophobicContact CG2-CD2 3.87Å; V360-W371 HydrophobicContact CG2-CE3 3.35Å; V360-W371 HydrophobicContact CG2-CG 4.08Å; V360-W371 HydrophobicContact CG2-CZ3 4.15Å; V360-L383 HydrophobicContact CG1-CD1 4.27Å; V360-I390 HydrophobicContact CB-CD1 4.11Å; V360-I390 HydrophobicContact CG1-CD1 3.79Å; V360-I390 HydrophobicContact CG2-CD1 4.5Å; V360-L431 HydrophobicContact CG1-CD2 3.57Å |
| 361 | L | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | -178.8 | -177.8 | 56.9 | 0 | 0 | 0 | 111.9 | L335 A357 Y359 T365 L393 H394 Y397 P426 L429 | L335-L361 HydrophobicContact CD1-CB 3.9Å; L335-L361 HydrophobicContact CD1-CD2 3.84Å; L335-L361 HydrophobicContact CD1-CG 3.77Å; L335-L361 HydrophobicContact CD2-CD2 4Å; A357-L361 VanDerWaalsContact O-CB 3.31Å; A357-L361 WeakPolarHBondContact O-CB 3.11Å; A357-L361 PolarHBondContact O-N 3.42Å; Y359-L361 VanDerWaalsContact C-N 3.34Å; Y359-L361 PolarHBondContact O-N 3.49Å; L361-T365 WeakPolarHBondContact O-CB 3.36Å; L361-T365 PolarHBondContact O-N 3.28Å; L361-T365 PolarHBondContact O-OG1 3.28Å; L361-L393 HydrophobicContact CD2-CB 4.45Å; L361-L393 HydrophobicContact CD2-CD2 4.36Å; L361-L393 HydrophobicContact CD2-CG 4.1Å; L361-H394 HydrophobicContact CD1-CB 4.46Å; L361-H394 HydrophobicContact CD2-CB 4.25Å; L361-Y397 HydrophobicContact CD2-CD1 4.16Å; L361-Y397 HydrophobicContact CG-CD1 4.43Å; L361-P426 HydrophobicContact CD1-CG 4.38Å; L361-L429 HydrophobicContact CD1-CD2 3.67Å |
| 362 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V328 L331 A332 L335 A358 Y359 N364 T365 V366 | V328-A362 HydrophobicContact CG1-CB 4.2Å; L331-A362 HydrophobicContact CB-CB 3.98Å; L331-A362 HydrophobicContact CD2-CB 4.02Å; L331-A362 HydrophobicContact CG-CB 3.87Å; A332-A362 HydrophobicContact CB-CB 3.71Å; L335-A362 HydrophobicContact CD1-CB 4.17Å; A358-A362 VanDerWaalsContact O-CB 3.23Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.22Å; Y359-A362 PolarHBondContact O-N 3.27Å; A362-N364 PolarHBondContact O-N 3.36Å; A362-T365 PolarHBondContact O-N 2.83Å; A362-V366 WeakPolarHBondContact O-CG2 3.38Å; A362-V366 PolarHBondContact O-N 3.32Å |
| 363 | N | 92.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | -179.9 | -166 | 27.2 | 0 | 0 | 0 | 111.1 | V328 Y359 V360 T365 V366 T367 G368 S369 | V328-N363 HydrophobicContact CG1-CB 4.2Å; Y359-N363 HydrophobicContact CE1-CB 4.24Å; Y359-N363 WeakPolarHBondContact O-CB 3.43Å; Y359-N363 PolarHBondContact O-N 3.01Å; V360-N363 PolarHBondContact O-N 3.44Å; N363-T365 VanDerWaalsContact C-N 3.34Å; N363-T365 PolarHBondContact O-N 3.46Å; N363-V366 PolarHBondContact O-N 3.31Å; N363-T367 WeakPolarHBondContact O-CA 3.49Å; N363-T367 PolarHBondContact O-N 3.11Å; N363-T367 PolarHBondContact O-OG1 2.93Å; N363-T367 PolarHBondContact OD1-OG1 3.03Å; N363-G368 PolarHBondContact O-N 3.27Å; N363-S369 WeakPolarHBondContact ND2-CB 3.41Å |
| 364 | N | 91.8 | Very high | 92.2 | Very high | 19 Ų | 19 | 27.8 Ų | 27.8 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 175.5 | -175.7 | 30.3 | 0 | 0 | 0 | 112.2 | V360 A362 V366 G368 S369 L431 | V360-N364 WeakPolarHBondContact O-CB 3.5Å; V360-N364 PolarHBondContact O-N 3.06Å; A362-N364 PolarHBondContact O-N 3.36Å; N364-V366 PolarHBondContact O-N 3.19Å; N364-G368 WeakPolarHBondContact O-CA 3.48Å; N364-G368 PolarHBondContact O-N 2.86Å; N364-S369 WeakPolarHBondContact CA-O 3.3Å; N364-S369 PolarHBondContact N-O 3.01Å; N364-L431 HydrophobicContact CB-CD2 4.4Å |
| 365 | T | 91.7 | Very high | 91.9 | Very high | 31 Ų | 31 | 27.6 Ų | 27.6 | 19% | 0.19 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | L331 L361 A362 N363 Y397 I423 P426 | L331-T365 HydrophobicContact CD2-CG2 3.96Å; L361-T365 WeakPolarHBondContact O-CB 3.36Å; L361-T365 PolarHBondContact O-N 3.28Å; L361-T365 PolarHBondContact O-OG1 3.28Å; A362-T365 PolarHBondContact O-N 2.83Å; N363-T365 VanDerWaalsContact C-N 3.34Å; N363-T365 PolarHBondContact O-N 3.46Å; T365-Y397 HydrophobicContact CG2-CE1 4.45Å; T365-I423 HydrophobicContact CG2-CG2 3.78Å; T365-P426 WeakPolarHBondContact OG1-CD 3.38Å |
| 366 | V | 90.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -92.7 | -43.6 | -175.4 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | Q327 V328 L331 A362 N363 N364 | Q327-V366 HydrophobicContact CB-CG1 4.49Å; Q327-V366 HydrophobicContact CG-CG1 4.41Å; Q327-V366 HydrophobicContact CG-CG2 4.18Å; V328-V366 HydrophobicContact CG2-CB 3.67Å; V328-V366 HydrophobicContact CG2-CG1 3.89Å; V328-V366 HydrophobicContact CG2-CG2 4.01Å; L331-V366 HydrophobicContact CD2-CG2 3.83Å; A362-V366 WeakPolarHBondContact O-CG2 3.38Å; A362-V366 PolarHBondContact O-N 3.32Å; N363-V366 PolarHBondContact O-N 3.31Å; N364-V366 PolarHBondContact O-N 3.19Å |
| 367 | T | 88.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -112 | -15 | -172.3 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | V328 N363 S369 | V328-T367 HydrophobicContact CG2-CG2 4.14Å; N363-T367 WeakPolarHBondContact O-CA 3.49Å; N363-T367 PolarHBondContact O-N 3.11Å; N363-T367 PolarHBondContact O-OG1 2.93Å; N363-T367 PolarHBondContact OD1-OG1 3.03Å; T367-S369 PolarHBondContact O-N 2.82Å; T367-S369 WeakPolarHBondContact OG1-CB 3.43Å; T367-S369 PolarHBondContact OG1-N 3.05Å; T367-S369 VanDerWaalsContact OG1-N 3.16Å; T367-S369 PolarHBondContact OG1-OG 2.94Å |
| 368 | G | 84.8 | Confident | 91.1 | Very high | 53 Ų | 53 | 40 Ų | 40 | 55% | 0.546 | 23% | 0.23 | S | C | . | . | trans | 71.8 | 10.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N363 N364 | N363-G368 PolarHBondContact O-N 3.27Å; N364-G368 WeakPolarHBondContact O-CA 3.48Å; N364-G368 PolarHBondContact O-N 2.86Å | ||
| 369 | S | 85.9 | Confident | 90.8 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | trans | -86.1 | 149.9 | -179.3 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | N363 N364 T367 | N363-S369 WeakPolarHBondContact ND2-CB 3.41Å; N364-S369 WeakPolarHBondContact CA-O 3.3Å; N364-S369 PolarHBondContact N-O 3.01Å; T367-S369 PolarHBondContact O-N 2.82Å; T367-S369 WeakPolarHBondContact OG1-CB 3.43Å; T367-S369 PolarHBondContact OG1-N 3.05Å; T367-S369 VanDerWaalsContact OG1-N 3.16Å; T367-S369 PolarHBondContact OG1-OG 2.94Å | ||
| 370 | S | 86.2 | Confident | 90.6 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | trans | -92.2 | -173.6 | 177.6 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | P372 | S370-P372 WeakPolarHBondContact O-CD 3.4Š| ||
| 371 | W | 89.6 | Confident | 90.6 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | trans | -65 | 117.1 | 176.9 | -174.3 | -125.2 | 0 | 0 | 0 | 110.8 | Y318 A356 Y359 V360 L375 V376 Y381 L383 L386 | Y318-W371 HydrophobicContact CD2-CH2 4.33Å; Y318-W371 HydrophobicContact CE2-CH2 4.31Å; A356-W371 HydrophobicContact CB-CH2 3.64Å; A356-W371 HydrophobicContact CB-CZ2 4.1Å; A356-W371 HydrophobicContact CB-CZ3 4.08Å; Y359-W371 AromaticContact CD1-CE3 3.64Å; Y359-W371 HydrophobicContact CD1-CE3 3.64Å; Y359-W371 AromaticContact CD1-CZ3 3.47Å; Y359-W371 HydrophobicContact CD1-CZ3 3.47Å; Y359-W371 VanDerWaalsContact CD1-CZ3 3.47Å; Y359-W371 HydrophobicContact CE1-CE3 4.03Å; Y359-W371 HydrophobicContact CE1-CZ3 4.08Å; Y359-W371 HydrophobicContact CG-CZ3 4.03Å; V360-W371 HydrophobicContact CG2-CB 3.76Å; V360-W371 HydrophobicContact CG2-CD2 3.87Å; V360-W371 HydrophobicContact CG2-CE3 3.35Å; V360-W371 HydrophobicContact CG2-CG 4.08Å; V360-W371 HydrophobicContact CG2-CZ3 4.15Å; W371-L375 HydrophobicContact CD2-CB 4.19Å; W371-L375 HydrophobicContact CE3-CB 4.27Å; W371-L375 HydrophobicContact CE3-CD1 3.91Å; W371-L375 HydrophobicContact CH2-CB 3.58Å; W371-L375 HydrophobicContact CH2-CD1 3.63Å; W371-L375 HydrophobicContact CH2-CG 4.15Å; W371-L375 HydrophobicContact CZ2-CB 3.43Å; W371-L375 VanDerWaalsContact CZ2-CB 3.43Å; W371-L375 HydrophobicContact CZ2-CD1 4.36Å; W371-L375 HydrophobicContact CZ2-CG 4.47Å; W371-L375 HydrophobicContact CZ3-CB 4Å; W371-L375 HydrophobicContact CZ3-CD1 3.37Å; W371-L375 HydrophobicContact CZ3-CG 4.3Å; W371-V376 HydrophobicContact CG-CG2 4.4Å; W371-Y381 PolarHBondContact NE1-O 2.91Å; W371-L383 HydrophobicContact CB-CD1 4.33Å; W371-L386 HydrophobicContact CD2-CD1 4.29Å; W371-L386 HydrophobicContact CZ2-CD1 4.41Å | ||
| 372 | P | 90.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 17% | 0.169 | 28% | 0.279 | C | S | . | . | trans | -73.2 | 146.9 | -173 | 30.6 | -36.4 | 0 | 0 | 0 | 112 | Q322 Y359 S370 S374 L375 V376 | Q322-P372 HydrophobicContact CG-CG 4.12Å; Y359-P372 HydrophobicContact CE1-CG 4.3Å; S370-P372 WeakPolarHBondContact O-CD 3.4Å; P372-S374 VanDerWaalsContact C-N 3.26Å; P372-S374 PolarHBondContact O-N 3.36Å; P372-L375 HydrophobicContact CG-CB 3.92Å; P372-L375 HydrophobicContact CG-CD1 3.5Å; P372-L375 VanDerWaalsContact CG-CD1 3.5Å; P372-L375 HydrophobicContact CG-CG 3.62Å; P372-L375 PolarHBondContact O-N 3.34Å; P372-L375 VanDerWaalsContact O-N 3.08Å; P372-V376 PolarHBondContact O-N 2.93Å | ||
| 373 | K | 90.1 | Very high | 90.4 | Very high | 171 Ų | 171 | 48.3 Ų | 48.3 | 74% | 0.743 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.7 | -34.9 | -179.4 | -66.5 | -177.3 | 179.4 | -179.7 | 0 | 113.4 | L375 V376 E377 | K373-L375 VanDerWaalsContact C-N 3.33Å; K373-L375 PolarHBondContact O-N 3.25Å; K373-V376 WeakPolarHBondContact O-CB 3.46Å; K373-V376 PolarHBondContact O-N 2.98Å; K373-V376 VanDerWaalsContact O-N 3.16Å; K373-E377 PolarHBondContact O-N 3.44Å |
| 374 | S | 91.2 | Very high | 90.4 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 22% | 0.217 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 174.9 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | Q322 P372 E377 M378 | Q322-S374 PolarHBondContact OE1-OG 3.11Å; Q322-S374 VanDerWaalsContact OE1-OG 3.05Å; P372-S374 VanDerWaalsContact C-N 3.26Å; P372-S374 PolarHBondContact O-N 3.36Å; S374-E377 PolarHBondContact O-N 3.32Å; S374-M378 PolarHBondContact O-N 3.26Å |
| 375 | L | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.5 | -27.5 | 176.5 | -65.2 | -179.7 | 0 | 0 | 0 | 112.7 | Y318 H321 Q322 Y359 W371 P372 K373 M378 S379 | Y318-L375 HydrophobicContact CD1-CD2 4.06Å; Y318-L375 HydrophobicContact CG-CD2 4.38Å; H321-L375 HydrophobicContact CB-CD2 4Å; Q322-L375 HydrophobicContact CB-CD1 4.28Å; Q322-L375 HydrophobicContact CB-CG 4.34Å; Y359-L375 HydrophobicContact CD1-CD1 4.14Å; Y359-L375 HydrophobicContact CE1-CD1 3.74Å; Y359-L375 HydrophobicContact CE2-CD1 4.21Å; W371-L375 HydrophobicContact CD2-CB 4.19Å; W371-L375 HydrophobicContact CE3-CB 4.27Å; W371-L375 HydrophobicContact CE3-CD1 3.91Å; W371-L375 HydrophobicContact CH2-CB 3.58Å; W371-L375 HydrophobicContact CH2-CD1 3.63Å; W371-L375 HydrophobicContact CH2-CG 4.15Å; W371-L375 HydrophobicContact CZ2-CB 3.43Å; W371-L375 VanDerWaalsContact CZ2-CB 3.43Å; W371-L375 HydrophobicContact CZ2-CD1 4.36Å; W371-L375 HydrophobicContact CZ2-CG 4.47Å; W371-L375 HydrophobicContact CZ3-CB 4Å; W371-L375 HydrophobicContact CZ3-CD1 3.37Å; W371-L375 HydrophobicContact CZ3-CG 4.3Å; P372-L375 HydrophobicContact CG-CB 3.92Å; P372-L375 HydrophobicContact CG-CD1 3.5Å; P372-L375 VanDerWaalsContact CG-CD1 3.5Å; P372-L375 HydrophobicContact CG-CG 3.62Å; P372-L375 PolarHBondContact O-N 3.34Å; P372-L375 VanDerWaalsContact O-N 3.08Å; K373-L375 VanDerWaalsContact C-N 3.33Å; K373-L375 PolarHBondContact O-N 3.25Å; L375-M378 HydrophobicContact CD2-CE 3.45Å; L375-M378 VanDerWaalsContact CD2-CE 3.45Å; L375-S379 VanDerWaalsContact O-CB 3.25Å; L375-S379 WeakPolarHBondContact O-CB 3.45Å; L375-S379 PolarHBondContact O-N 3.37Å; L375-S379 PolarHBondContact O-OG 3.02Å |
| 376 | V | 92.9 | Very high | 90.5 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 169 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | W371 P372 K373 G380 | W371-V376 HydrophobicContact CG-CG2 4.4Å; P372-V376 PolarHBondContact O-N 2.93Å; K373-V376 WeakPolarHBondContact O-CB 3.46Å; K373-V376 PolarHBondContact O-N 2.98Å; K373-V376 VanDerWaalsContact O-N 3.16Å; V376-G380 VanDerWaalsContact O-CA 3.23Å; V376-G380 WeakPolarHBondContact O-CA 3.33Å; V376-G380 PolarHBondContact O-N 3.07Å |
| 377 | E | 90.9 | Very high | 90.6 | Very high | 166 Ų | 166 | 57.6 Ų | 57.6 | 78% | 0.776 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 179.8 | -70.7 | 171.4 | -169.5 | 0 | 0 | 112.3 | K373 S374 | K373-E377 PolarHBondContact O-N 3.44Å; S374-E377 PolarHBondContact O-N 3.32Å |
| 378 | M | 90.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75 | -46.5 | 179 | 177.6 | -118.3 | -77.4 | 0 | 0 | 113.1 | H183 Y318 H321 S374 L375 | H183-M378 PolarHBondContact CE1-O 3.07Å; H183-M378 VanDerWaalsContact CE1-O 3.27Å; Y318-M378 HydrophobicContact CD1-CE 4.01Å; Y318-M378 HydrophobicContact CD1-SD 4.05Å; Y318-M378 HydrophobicContact CE1-SD 3.96Å; H321-M378 HydrophobicContact CB-CE 3.33Å; S374-M378 PolarHBondContact O-N 3.26Å; L375-M378 HydrophobicContact CD2-CE 3.45Å; L375-M378 VanDerWaalsContact CD2-CE 3.45Å |
| 379 | S | 90.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -88.5 | -23.8 | -173.5 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | R187 L375 Y381 | R187-S379 PolarHBondContact NH1-O 3.34Å; L375-S379 VanDerWaalsContact O-CB 3.25Å; L375-S379 WeakPolarHBondContact O-CB 3.45Å; L375-S379 PolarHBondContact O-N 3.37Å; L375-S379 PolarHBondContact O-OG 3.02Å; S379-Y381 PolarHBondContact O-N 3.44Å; S379-Y381 PolarHBondContact OG-N 2.92Å; S379-Y381 VanDerWaalsContact OG-N 3.14Å |
| 380 | G | 92 | Very high | 91.8 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | trans | 71.1 | 5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V376 | V376-G380 VanDerWaalsContact O-CA 3.23Å; V376-G380 WeakPolarHBondContact O-CA 3.33Å; V376-G380 PolarHBondContact O-N 3.07Å | ||
| 381 | Y | 93.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | trans | -90.6 | 127.4 | 177.3 | -65 | -50.7 | 0 | 0 | 0 | 111.3 | R187 S352 Q353 W371 S379 L386 | R187-Y381 VanDerWaalsContact CZ-CZ 3.5Å; R187-Y381 VanDerWaalsContact CZ-OH 3.25Å; R187-Y381 PolarHBondContact NH2-OH 3.08Å; S352-Y381 PolarHBondContact OG-OH 3.36Å; Q353-Y381 HydrophobicContact CG-CE1 3.91Å; Q353-Y381 HydrophobicContact CG-CE2 3.93Å; Q353-Y381 VanDerWaalsContact CG-CZ 3.46Å; Q353-Y381 WeakPolarHBondContact CG-OH 3.36Å; W371-Y381 PolarHBondContact NE1-O 2.91Å; S379-Y381 PolarHBondContact O-N 3.44Å; S379-Y381 PolarHBondContact OG-N 2.92Å; S379-Y381 VanDerWaalsContact OG-N 3.14Å; Y381-L386 HydrophobicContact CD2-CD2 4.24Å; Y381-L386 HydrophobicContact CG-CD2 4.11Å | ||
| 382 | T | 93.5 | Very high | 92.5 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | trans | -83.2 | 163.3 | 167.2 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | E384 D385 L386 | T382-E384 PolarHBondContact O-N 3.23Å; T382-D385 WeakPolarHBondContact CB-OD2 3.45Å; T382-D385 PolarHBondContact N-OD2 3.01Å; T382-D385 PolarHBondContact O-N 3.37Å; T382-D385 PolarHBondContact OG1-N 3.01Å; T382-D385 PolarHBondContact OG1-OD2 2.92Å; T382-L386 WeakPolarHBondContact O-CG 3.13Å; T382-L386 PolarHBondContact O-N 2.97Å | ||
| 383 | L | 91 | Very high | 92.7 | Very high | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 174.4 | -177.5 | 61.9 | 0 | 0 | 0 | 111.2 | V360 W371 D385 L386 M387 I390 L431 | V360-L383 HydrophobicContact CG1-CD1 4.27Å; W371-L383 HydrophobicContact CB-CD1 4.33Å; L383-D385 PolarHBondContact O-N 3.45Å; L383-L386 PolarHBondContact O-N 3.44Å; L383-L386 VanDerWaalsContact O-N 3.14Å; L383-M387 HydrophobicContact CD1-SD 4.32Å; L383-M387 HydrophobicContact CG-SD 4.25Å; L383-M387 VanDerWaalsContact O-CG 3.3Å; L383-M387 WeakPolarHBondContact O-CG 3.15Å; L383-M387 PolarHBondContact O-N 2.92Å; L383-I390 HydrophobicContact CD1-CD1 4.02Å; L383-L431 HydrophobicContact CD1-CD1 4.46Å; L383-L431 HydrophobicContact CD1-CD2 4.47Å; L383-L431 HydrophobicContact CD2-CB 4.18Å |
| 384 | E | 91.7 | Very high | 92.9 | Very high | 164 Ų | 164 | 47.2 Ų | 47.2 | 77% | 0.766 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 178.4 | -64 | 179.7 | -173.7 | 0 | 0 | 112.3 | T382 L386 M387 | T382-E384 PolarHBondContact O-N 3.23Å; E384-L386 PolarHBondContact O-N 3.24Å; E384-M387 PolarHBondContact O-N 3.25Å |
| 385 | D | 91.9 | Very high | 93.1 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -32.1 | 177 | -59.6 | -49.7 | 0 | 0 | 0 | 112.2 | T382 L383 | T382-D385 WeakPolarHBondContact CB-OD2 3.45Å; T382-D385 PolarHBondContact N-OD2 3.01Å; T382-D385 PolarHBondContact O-N 3.37Å; T382-D385 PolarHBondContact OG1-N 3.01Å; T382-D385 PolarHBondContact OG1-OD2 2.92Å; L383-D385 PolarHBondContact O-N 3.45Å |
| 386 | L | 93.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -87.5 | -19.8 | -177.1 | -62.1 | 174.4 | 0 | 0 | 0 | 112.9 | Q353 A356 W371 Y381 T382 L383 E384 P388 C389 I390 | Q353-L386 HydrophobicContact CB-CD2 4.41Å; A356-L386 HydrophobicContact CB-CD1 3.7Å; A356-L386 HydrophobicContact CB-CD2 3.78Å; A356-L386 HydrophobicContact CB-CG 4.41Å; W371-L386 HydrophobicContact CD2-CD1 4.29Å; W371-L386 HydrophobicContact CZ2-CD1 4.41Å; Y381-L386 HydrophobicContact CD2-CD2 4.24Å; Y381-L386 HydrophobicContact CG-CD2 4.11Å; T382-L386 WeakPolarHBondContact O-CG 3.13Å; T382-L386 PolarHBondContact O-N 2.97Å; L383-L386 PolarHBondContact O-N 3.44Å; L383-L386 VanDerWaalsContact O-N 3.14Å; E384-L386 PolarHBondContact O-N 3.24Å; L386-P388 VanDerWaalsContact C-CD 3.48Å; L386-C389 WeakPolarHBondContact O-CB 3.42Å; L386-C389 PolarHBondContact O-N 2.91Å; L386-I390 HydrophobicContact CB-CD1 3.73Å; L386-I390 HydrophobicContact CB-CG1 4.26Å; L386-I390 WeakPolarHBondContact O-CG1 3.48Å; L386-I390 PolarHBondContact O-N 3.43Å |
| 387 | M | 92.9 | Very high | 93.3 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -49.8 | -47 | -174.9 | -77 | -52.7 | -62.6 | 0 | 0 | 114.1 | L383 E384 C389 I390 E391 L431 | L383-M387 HydrophobicContact CD1-SD 4.32Å; L383-M387 HydrophobicContact CG-SD 4.25Å; L383-M387 VanDerWaalsContact O-CG 3.3Å; L383-M387 WeakPolarHBondContact O-CG 3.15Å; L383-M387 PolarHBondContact O-N 2.92Å; E384-M387 PolarHBondContact O-N 3.25Å; M387-C389 VanDerWaalsContact C-N 3.28Å; M387-C389 PolarHBondContact O-N 3.15Å; M387-I390 PolarHBondContact O-N 3.11Å; M387-I390 HydrophobicContact SD-CD1 4.42Å; M387-E391 HydrophobicContact CE-CG 4.42Å; M387-E391 WeakPolarHBondContact O-CG 3.37Å; M387-E391 PolarHBondContact O-N 3.14Å; M387-L431 HydrophobicContact CE-CD1 4.07Å; M387-L431 HydrophobicContact SD-CD1 3.7Å |
| 388 | P | 94.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 48.2 Ų | 48.2 | 42% | 0.422 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 179.2 | -23.2 | 34.4 | 0 | 0 | 0 | 112.7 | Y349 L386 D392 | Y349-P388 HydrophobicContact CE1-CB 4.39Å; Y349-P388 PolarHBondContact OH-O 3.01Å; L386-P388 VanDerWaalsContact C-CD 3.48Å; P388-D392 PolarHBondContact O-N 3.05Å; P388-D392 VanDerWaalsContact O-N 3.16Å |
| 389 | C | 95.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -40.1 | 178.9 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | Y349 M354 A357 L386 M387 L393 | Y349-C389 HydrophobicContact CD1-CB 3.84Å; Y349-C389 HydrophobicContact CD2-CB 4.26Å; Y349-C389 HydrophobicContact CE1-CB 3.69Å; Y349-C389 HydrophobicContact CE2-CB 4.09Å; Y349-C389 HydrophobicContact CG-CB 4.12Å; Y349-C389 VanDerWaalsContact CZ-CA 3.42Å; Y349-C389 PolarHBondContact OH-N 2.99Å; M354-C389 WeakPolarHBondContact CE-SG 3.5Å; A357-C389 HydrophobicContact CB-CB 3.93Å; A357-C389 VanDerWaalsContact CB-SG 3.51Å; L386-C389 WeakPolarHBondContact O-CB 3.42Å; L386-C389 PolarHBondContact O-N 2.91Å; M387-C389 VanDerWaalsContact C-N 3.28Å; M387-C389 PolarHBondContact O-N 3.15Å; C389-L393 VanDerWaalsContact O-CB 3.23Å; C389-L393 WeakPolarHBondContact O-CB 3.36Å; C389-L393 PolarHBondContact O-N 3.36Å |
| 390 | I | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.5 | -64.3 | 164 | 0 | 0 | 0 | 110.7 | A357 V360 L383 L386 M387 L393 H394 L429 L431 | A357-I390 HydrophobicContact CB-CG1 3.69Å; V360-I390 HydrophobicContact CB-CD1 4.11Å; V360-I390 HydrophobicContact CG1-CD1 3.79Å; V360-I390 HydrophobicContact CG2-CD1 4.5Å; L383-I390 HydrophobicContact CD1-CD1 4.02Å; L386-I390 HydrophobicContact CB-CD1 3.73Å; L386-I390 HydrophobicContact CB-CG1 4.26Å; L386-I390 WeakPolarHBondContact O-CG1 3.48Å; L386-I390 PolarHBondContact O-N 3.43Å; M387-I390 PolarHBondContact O-N 3.11Å; M387-I390 HydrophobicContact SD-CD1 4.42Å; I390-L393 PolarHBondContact O-N 3.12Å; I390-H394 WeakPolarHBondContact O-CB 3.41Å; I390-H394 PolarHBondContact O-N 3.41Å; I390-L429 HydrophobicContact CG2-CD1 3.91Å; I390-L429 HydrophobicContact CG2-CD2 4.36Å; I390-L431 HydrophobicContact CD1-CD1 4.33Å; I390-L431 HydrophobicContact CG2-CD1 3.95Å |
| 391 | E | 93.9 | Very high | 93.5 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 178.8 | -74 | -178.3 | 175.8 | 0 | 0 | 112.6 | M387 R395 L429 | M387-E391 HydrophobicContact CE-CG 4.42Å; M387-E391 WeakPolarHBondContact O-CG 3.37Å; M387-E391 PolarHBondContact O-N 3.14Å; E391-R395 WeakPolarHBondContact O-CB 3.23Å; E391-R395 PolarHBondContact O-N 3.42Å; E391-L429 HydrophobicContact CG-CD1 4.45Å |
| 392 | D | 95.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.9 | -76.8 | -25.6 | 0 | 0 | 0 | 111.2 | P345 F346 K348 Y349 P388 H394 R395 T396 | P345-D392 HydrophobicContact CG-CB 3.7Å; F346-D392 HydrophobicContact CE1-CB 4.13Å; K348-D392 WeakPolarHBondContact CE-OD2 3.48Å; K348-D392 IonicContact NZ-OD2 2.66Å; K348-D392 PolarHBondContact NZ-OD2 2.95Å; Y349-D392 HydrophobicContact CE2-CB 4.27Å; Y349-D392 WeakPolarHBondContact CE2-OD2 3.45Å; Y349-D392 PolarHBondContact OH-OD2 2.94Å; P388-D392 PolarHBondContact O-N 3.05Å; P388-D392 VanDerWaalsContact O-N 3.16Å; D392-H394 PolarHBondContact O-N 2.71Å; D392-R395 WeakPolarHBondContact O-CB 3.44Å; D392-R395 PolarHBondContact O-N 3.43Å; D392-T396 PolarHBondContact O-N 2.94Å; D392-T396 VanDerWaalsContact O-N 3.1Å; D392-T396 PolarHBondContact O-OG1 3.2Å |
| 393 | L | 95.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 179.1 | -170.2 | 61.9 | 0 | 0 | 0 | 112 | L335 F346 M354 A357 A358 L361 C389 I390 T396 Y397 | L335-L393 HydrophobicContact CB-CD2 4.18Å; L335-L393 HydrophobicContact CB-CG 4.49Å; F346-L393 HydrophobicContact CE1-CB 4.31Å; F346-L393 HydrophobicContact CE1-CD1 4.13Å; F346-L393 HydrophobicContact CZ-CD1 4.07Å; M354-L393 HydrophobicContact SD-CD1 4.19Å; M354-L393 HydrophobicContact SD-CD2 4.18Å; A357-L393 HydrophobicContact CB-CD2 4.24Å; A358-L393 HydrophobicContact CB-CD2 3.95Å; L361-L393 HydrophobicContact CD2-CB 4.45Å; L361-L393 HydrophobicContact CD2-CD2 4.36Å; L361-L393 HydrophobicContact CD2-CG 4.1Å; C389-L393 VanDerWaalsContact O-CB 3.23Å; C389-L393 WeakPolarHBondContact O-CB 3.36Å; C389-L393 PolarHBondContact O-N 3.36Å; I390-L393 PolarHBondContact O-N 3.12Å; L393-T396 PolarHBondContact O-N 2.86Å; L393-Y397 WeakPolarHBondContact O-CB 3.37Å; L393-Y397 PolarHBondContact O-N 2.85Å |
| 394 | H | 94.6 | Very high | 93.5 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 174.2 | 176.5 | -106.1 | 0 | 0 | 0 | 111.7 | L361 I390 D392 T396 Y397 V398 P426 L429 | L361-H394 HydrophobicContact CD1-CB 4.46Å; L361-H394 HydrophobicContact CD2-CB 4.25Å; I390-H394 WeakPolarHBondContact O-CB 3.41Å; I390-H394 PolarHBondContact O-N 3.41Å; D392-H394 PolarHBondContact O-N 2.71Å; H394-T396 VanDerWaalsContact C-N 3.34Å; H394-T396 PolarHBondContact O-N 2.94Å; H394-Y397 PolarHBondContact O-N 2.74Å; H394-V398 WeakPolarHBondContact O-CG2 3.45Å; H394-V398 PolarHBondContact O-N 3.12Å; H394-P426 PolarHBondContact CE1-O 2.93Å; H394-P426 PolarHBondContact NE2-O 3.04Å; H394-L429 HydrophobicContact CB-CD1 4.07Å; H394-L429 HydrophobicContact CB-CD2 4.27Å; H394-L429 HydrophobicContact CB-CG 4.47Å |
| 395 | R | 94 | Very high | 93.7 | Very high | 167 Ų | 167 | 49.1 Ų | 49.1 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 175 | -169.9 | -170 | -49.2 | -83.4 | -7.3 | 111.6 | E391 D392 V398 G399 | E391-R395 WeakPolarHBondContact O-CB 3.23Å; E391-R395 PolarHBondContact O-N 3.42Å; D392-R395 WeakPolarHBondContact O-CB 3.44Å; D392-R395 PolarHBondContact O-N 3.43Å; R395-V398 PolarHBondContact O-N 3.06Å; R395-G399 PolarHBondContact O-N 3.09Å |
| 396 | T | 94.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 14% | 0.135 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.1 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | L338 F346 D392 L393 H394 V398 G399 A400 | L338-T396 HydrophobicContact CB-CG2 4.22Å; F346-T396 HydrophobicContact CE2-CG2 4.22Å; F346-T396 HydrophobicContact CZ-CG2 4.33Å; F346-T396 VanDerWaalsContact CZ-OG1 3.29Å; F346-T396 WeakPolarHBondContact CZ-OG1 3.49Å; D392-T396 PolarHBondContact O-N 2.94Å; D392-T396 VanDerWaalsContact O-N 3.1Å; D392-T396 PolarHBondContact O-OG1 3.2Å; L393-T396 PolarHBondContact O-N 2.86Å; H394-T396 VanDerWaalsContact C-N 3.34Å; H394-T396 PolarHBondContact O-N 2.94Å; T396-V398 PolarHBondContact O-N 3.24Å; T396-G399 CarbonylContact O-C 3.58Å; T396-G399 PolarHBondContact O-N 2.71Å; T396-A400 WeakPolarHBondContact O-CA 3.47Å; T396-A400 WeakPolarHBondContact O-CB 3.36Å; T396-A400 PolarHBondContact O-N 3.21Å |
| 397 | Y | 94.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.5 | -176.3 | -156.9 | 0 | 0 | 0 | 112.2 | Y334 L335 L361 T365 L393 H394 A400 I423 P425 | Y334-Y397 AromaticContact CE1-CD2 3.88Å; Y334-Y397 HydrophobicContact CE1-CD2 3.88Å; Y334-Y397 AromaticContact CE1-CE2 3.77Å; Y334-Y397 HydrophobicContact CE1-CE2 3.77Å; L335-Y397 HydrophobicContact CD2-CD1 3.82Å; L335-Y397 HydrophobicContact CD2-CD2 3.98Å; L335-Y397 HydrophobicContact CD2-CE1 4.43Å; L335-Y397 HydrophobicContact CD2-CG 3.57Å; L361-Y397 HydrophobicContact CD2-CD1 4.16Å; L361-Y397 HydrophobicContact CG-CD1 4.43Å; T365-Y397 HydrophobicContact CG2-CE1 4.45Å; L393-Y397 WeakPolarHBondContact O-CB 3.37Å; L393-Y397 PolarHBondContact O-N 2.85Å; H394-Y397 PolarHBondContact O-N 2.74Å; Y397-A400 VanDerWaalsContact O-CB 3.28Å; Y397-A400 WeakPolarHBondContact O-CB 3.5Å; Y397-A400 PolarHBondContact O-N 2.63Å; Y397-I423 PolarHBondContact OH-O 3.42Å; Y397-P425 HydrophobicContact CD1-CB 3.58Å; Y397-P425 HydrophobicContact CD2-CB 4.21Å; Y397-P425 HydrophobicContact CE1-CB 3.57Å; Y397-P425 HydrophobicContact CE2-CB 4.17Å; Y397-P425 HydrophobicContact CG-CB 3.9Å |
| 398 | V | 93.3 | Very high | 94.1 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 42% | 0.418 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.9 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | H394 R395 T396 A400 P425 | H394-V398 WeakPolarHBondContact O-CG2 3.45Å; H394-V398 PolarHBondContact O-N 3.12Å; R395-V398 PolarHBondContact O-N 3.06Å; T396-V398 PolarHBondContact O-N 3.24Å; V398-A400 VanDerWaalsContact C-N 3.3Å; V398-A400 PolarHBondContact O-N 2.77Å; V398-P425 HydrophobicContact CB-CG 4.47Å; V398-P425 HydrophobicContact CG2-CB 3.89Å; V398-P425 HydrophobicContact CG2-CG 4.03Å |
| 399 | G | 91.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -81 | -4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R395 T396 A401 Q402 H403 | R395-G399 PolarHBondContact O-N 3.09Å; T396-G399 CarbonylContact O-C 3.58Å; T396-G399 PolarHBondContact O-N 2.71Å; G399-A401 PolarHBondContact O-N 3.4Å; G399-A401 VanDerWaalsContact O-N 3.16Å; G399-Q402 PolarHBondContact O-N 3Å; G399-Q402 PolarHBondContact O-OE1 2.82Å; G399-H403 PolarHBondContact O-N 2.82Å; G399-H403 VanDerWaalsContact O-N 3.11Å |
| 400 | A | 92.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -60 | -34.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L338 T396 Y397 V398 Q402 H403 Q406 R409 | L338-A400 HydrophobicContact CD1-CB 4.17Å; T396-A400 WeakPolarHBondContact O-CA 3.47Å; T396-A400 WeakPolarHBondContact O-CB 3.36Å; T396-A400 PolarHBondContact O-N 3.21Å; Y397-A400 VanDerWaalsContact O-CB 3.28Å; Y397-A400 WeakPolarHBondContact O-CB 3.5Å; Y397-A400 PolarHBondContact O-N 2.63Å; V398-A400 VanDerWaalsContact C-N 3.3Å; V398-A400 PolarHBondContact O-N 2.77Å; A400-Q402 VanDerWaalsContact C-N 3.3Å; A400-Q402 PolarHBondContact O-N 2.76Å; A400-H403 WeakPolarHBondContact O-CB 3.3Å; A400-H403 PolarHBondContact O-N 3.29Å; A400-Q406 PolarHBondContact O-NE2 3.47Å; A400-R409 VanDerWaalsContact C-CD 3.48Å; A400-R409 WeakPolarHBondContact O-CD 3.43Å |
| 401 | A | 90.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -71.8 | -22 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G399 | G399-A401 PolarHBondContact O-N 3.4Å; G399-A401 VanDerWaalsContact O-N 3.16Å |
| 402 | Q | 91.9 | Very high | 94.1 | Very high | 154 Ų | 154 | 45.4 Ų | 45.4 | 72% | 0.72 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -101.8 | -2 | 177.6 | -61.1 | 79.6 | 20.1 | 0 | 0 | 112.3 | G399 A400 | G399-Q402 PolarHBondContact O-N 3Å; G399-Q402 PolarHBondContact O-OE1 2.82Å; A400-Q402 VanDerWaalsContact C-N 3.3Å; A400-Q402 PolarHBondContact O-N 2.76Å |
| 403 | H | 93 | Very high | 94 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 25% | 0.25 | 25% | 0.253 | C | S | . | . | trans | -65.5 | 146.9 | -179.5 | -163.1 | -96.6 | 0 | 0 | 0 | 111.4 | D342 G399 A400 Q405 Q406 | D342-H403 IonicContact OD1-CE1 2.71Å; D342-H403 IonicContact OD1-NE2 3.61Å; D342-H403 PolarHBondContact OD1-NE2 3.12Å; D342-H403 IonicContact OD2-NE2 3.51Å; G399-H403 PolarHBondContact O-N 2.82Å; G399-H403 VanDerWaalsContact O-N 3.11Å; A400-H403 WeakPolarHBondContact O-CB 3.3Å; A400-H403 PolarHBondContact O-N 3.29Å; H403-Q405 VanDerWaalsContact C-N 3.34Å; H403-Q405 PolarHBondContact CE1-OE1 3.39Å; H403-Q405 PolarHBondContact ND1-N 3.08Å; H403-Q405 PolarHBondContact ND1-O 3.08Å; H403-Q405 PolarHBondContact O-N 2.81Å; H403-Q406 PolarHBondContact O-NE2 2.94Å | ||
| 404 | A | 93.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 49.1 Ų | 49.1 | 70% | 0.702 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -68.7 | -36.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 405 | Q | 95.4 | Very high | 93.4 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | trans | -89.7 | 128.9 | 175.4 | -74.1 | 66.6 | 50.9 | 0 | 0 | 109.3 | A212 D216 V341 H403 | A212-Q405 HydrophobicContact CB-CG 4.29Å; D216-Q405 HydrophobicContact CB-CB 3.74Å; D216-Q405 HydrophobicContact CB-CG 3.42Å; D216-Q405 VanDerWaalsContact CB-CG 3.42Å; D216-Q405 VanDerWaalsContact CG-CB 3.4Å; D216-Q405 WeakPolarHBondContact OD1-CB 3.39Å; V341-Q405 HydrophobicContact CG1-CB 3.86Å; V341-Q405 HydrophobicContact CG1-CG 4.03Å; H403-Q405 VanDerWaalsContact C-N 3.34Å; H403-Q405 PolarHBondContact CE1-OE1 3.39Å; H403-Q405 PolarHBondContact ND1-N 3.08Å; H403-Q405 PolarHBondContact ND1-O 3.08Å; H403-Q405 PolarHBondContact O-N 2.81Å | ||
| 406 | Q | 96.1 | Very high | 93.1 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | trans | -127.2 | -5.6 | -172.8 | -71.6 | -64.1 | -56.5 | 0 | 0 | 113.6 | D216 A400 H403 V408 R409 E410 | D216-Q406 PolarHBondContact OD1-N 3.48Å; A400-Q406 PolarHBondContact O-NE2 3.47Å; H403-Q406 PolarHBondContact O-NE2 2.94Å; Q406-V408 VanDerWaalsContact C-N 3.3Å; Q406-V408 PolarHBondContact O-N 3.39Å; Q406-R409 WeakPolarHBondContact O-CA 3.31Å; Q406-R409 WeakPolarHBondContact O-CB 3.45Å; Q406-R409 PolarHBondContact O-N 3.4Å; Q406-R409 VanDerWaalsContact OE1-NH1 3.14Å; Q406-E410 PolarHBondContact O-N 3.04Å | ||
| 407 | S | 95.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -37.1 | -171.7 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | D216 E220 R409 E410 K411 | D216-S407 WeakPolarHBondContact O-CB 3.39Å; D216-S407 WeakPolarHBondContact OD1-CB 3.08Å; D216-S407 PolarHBondContact OD1-N 3.18Å; D216-S407 PolarHBondContact OD1-OG 3.17Å; D216-S407 PolarHBondContact OD2-OG 2.85Å; E220-S407 VanDerWaalsContact CG-OG 3.23Å; E220-S407 WeakPolarHBondContact CG-OG 3.43Å; E220-S407 PolarHBondContact OE1-OG 3.31Å; E220-S407 VanDerWaalsContact OE1-OG 3.07Å; S407-R409 VanDerWaalsContact C-N 3.34Å; S407-R409 PolarHBondContact O-N 3.05Å; S407-E410 PolarHBondContact O-N 3.21Å; S407-K411 WeakPolarHBondContact O-CB 3.22Å; S407-K411 PolarHBondContact O-N 3.09Å |
| 408 | V | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | V219 Y334 E337 L338 V341 Q406 Y412 | V219-V408 HydrophobicContact CB-CG2 4.5Å; V219-V408 HydrophobicContact CG1-CG2 4.24Å; V219-V408 HydrophobicContact CG2-CG2 3.73Å; Y334-V408 HydrophobicContact CD2-CG1 3.91Å; Y334-V408 HydrophobicContact CE2-CG1 4.04Å; E337-V408 HydrophobicContact CB-CG1 3.77Å; L338-V408 HydrophobicContact CD2-CB 4.16Å; L338-V408 HydrophobicContact CD2-CG1 3.92Å; L338-V408 HydrophobicContact CG-CG1 4.22Å; V341-V408 HydrophobicContact CG2-CG2 3.89Å; Q406-V408 VanDerWaalsContact C-N 3.3Å; Q406-V408 PolarHBondContact O-N 3.39Å; V408-Y412 HydrophobicContact CG1-CD2 4.17Å; V408-Y412 HydrophobicContact CG1-CE2 4.35Å; V408-Y412 VanDerWaalsContact O-CD2 3.31Å; V408-Y412 WeakPolarHBondContact O-CD2 3.49Å; V408-Y412 PolarHBondContact O-N 3.36Å |
| 409 | R | 95.2 | Very high | 92.7 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 15% | 0.151 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 179.1 | -66.7 | -164 | 66.6 | -123 | 4.6 | 111.5 | Y334 A400 Q406 S407 Y412 K413 S421 | Y334-R409 HydrophobicContact CE2-CG 4Å; Y334-R409 WeakPolarHBondContact OH-CG 3.49Å; A400-R409 VanDerWaalsContact C-CD 3.48Å; A400-R409 WeakPolarHBondContact O-CD 3.43Å; Q406-R409 WeakPolarHBondContact O-CA 3.31Å; Q406-R409 WeakPolarHBondContact O-CB 3.45Å; Q406-R409 PolarHBondContact O-N 3.4Å; Q406-R409 VanDerWaalsContact OE1-NH1 3.14Å; S407-R409 VanDerWaalsContact C-N 3.34Å; S407-R409 PolarHBondContact O-N 3.05Å; R409-Y412 PolarHBondContact O-N 2.79Å; R409-K413 WeakPolarHBondContact O-CG 3.35Å; R409-K413 PolarHBondContact O-N 3.08Å; R409-K413 VanDerWaalsContact O-N 3.08Å; R409-S421 PolarHBondContact NH2-O 2.84Å; R409-S421 WeakPolarHBondContact O-CB 3.34Å; R409-S421 PolarHBondContact O-OG 3.12Å |
| 410 | E | 95.1 | Very high | 92.8 | Very high | 99 Ų | 99 | 55.7 Ų | 55.7 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 179.2 | -61.3 | -53.1 | 143.1 | 0 | 0 | 111.9 | Q406 S407 Y412 K413 | Q406-E410 PolarHBondContact O-N 3.04Å; S407-E410 PolarHBondContact O-N 3.21Å; E410-Y412 VanDerWaalsContact C-N 3.32Å; E410-Y412 PolarHBondContact O-N 3.17Å; E410-K413 WeakPolarHBondContact O-CB 3.38Å; E410-K413 PolarHBondContact O-N 3.47Å; E410-K413 VanDerWaalsContact O-N 3.11Å; E410-K413 IonicContact OE1-NZ 3.91Å; E410-K413 PolarHBondContact OE1-NZ 3.05Å; E410-K413 WeakPolarHBondContact OE2-CD 3.11Å; E410-K413 WeakPolarHBondContact OE2-CE 3.45Å; E410-K413 IonicContact OE2-NZ 3.39Å; E410-K413 PolarHBondContact OE2-NZ 2.95Å |
| 411 | K | 94.8 | Very high | 92.7 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51.3 | -50.8 | 172.2 | 171.1 | 177 | 175.2 | -176.3 | 0 | 111.6 | V219 E223 N229 E337 S407 K413 G414 Y417 | V219-K411 HydrophobicContact CG1-CB 4.46Å; V219-K411 HydrophobicContact CG1-CD 3.95Å; E223-K411 HydrophobicContact CG-CB 4.3Å; E223-K411 HydrophobicContact CG-CD 3.95Å; E223-K411 HydrophobicContact CG-CG 4.02Å; E223-K411 WeakPolarHBondContact OE1-CD 3.34Å; E223-K411 WeakPolarHBondContact OE1-CE 3.3Å; E223-K411 IonicContact OE1-NZ 3.42Å; N229-K411 PolarHBondContact OD1-NZ 3.34Å; E337-K411 IonicContact OE1-NZ 2.82Å; E337-K411 PolarHBondContact OE1-NZ 2.86Å; E337-K411 IonicContact OE2-NZ 3.72Å; E337-K411 PolarHBondContact OE2-NZ 3.32Å; S407-K411 WeakPolarHBondContact O-CB 3.22Å; S407-K411 PolarHBondContact O-N 3.09Å; K411-K413 VanDerWaalsContact C-N 3.29Å; K411-K413 PolarHBondContact O-N 2.94Å; K411-G414 PolarHBondContact O-N 3.22Å; K411-G414 VanDerWaalsContact O-N 3.15Å; K411-Y417 WeakPolarHBondContact CE-OH 3.47Å; K411-Y417 HydrophobicContact CG-CD2 4.43Å; K411-Y417 HydrophobicContact CG-CE2 3.81Å; K411-Y417 VanDerWaalsContact O-CD2 3.31Å; K411-Y417 WeakPolarHBondContact O-CD2 3.42Å |
| 412 | Y | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.8 | -177.4 | -76.9 | -95.1 | 0 | 0 | 0 | 114.9 | N229 S330 M333 Y334 E337 V408 R409 E410 G414 Y417 E419 V420 S421 | N229-Y412 PolarHBondContact ND2-OH 2.67Å; S330-Y412 WeakPolarHBondContact O-CE1 3.07Å; M333-Y412 HydrophobicContact CB-CE1 4.07Å; M333-Y412 WeakPolarHBondContact CB-OH 3.42Å; Y334-Y412 HydrophobicContact CD2-CD1 4.38Å; Y334-Y412 AromaticContact CD2-CD2 3.8Å; Y334-Y412 HydrophobicContact CD2-CD2 3.8Å; Y334-Y412 AromaticContact CD2-CG 3.7Å; Y334-Y412 HydrophobicContact CD2-CG 3.7Å; Y334-Y412 HydrophobicContact CG-CD1 4.36Å; Y334-Y412 HydrophobicContact CG-CD2 4.49Å; Y334-Y412 HydrophobicContact CG-CG 4.12Å; E337-Y412 HydrophobicContact CB-CE2 4.37Å; E337-Y412 VanDerWaalsContact CD-CE2 3.5Å; E337-Y412 VanDerWaalsContact CD-OH 3.29Å; E337-Y412 HydrophobicContact CG-CE2 4.36Å; E337-Y412 WeakPolarHBondContact OE1-CE2 3.46Å; E337-Y412 PolarHBondContact OE1-OH 2.8Å; E337-Y412 WeakPolarHBondContact OE2-CE2 3.47Å; V408-Y412 HydrophobicContact CG1-CD2 4.17Å; V408-Y412 HydrophobicContact CG1-CE2 4.35Å; V408-Y412 VanDerWaalsContact O-CD2 3.31Å; V408-Y412 WeakPolarHBondContact O-CD2 3.49Å; V408-Y412 PolarHBondContact O-N 3.36Å; R409-Y412 PolarHBondContact O-N 2.79Å; E410-Y412 VanDerWaalsContact C-N 3.32Å; E410-Y412 PolarHBondContact O-N 3.17Å; Y412-G414 VanDerWaalsContact C-N 3.29Å; Y412-Y417 AromaticContact CD1-CD1 3.96Å; Y412-Y417 HydrophobicContact CD1-CD1 3.96Å; Y412-Y417 HydrophobicContact CD1-CD2 4.18Å; Y412-Y417 AromaticContact CD1-CG 3.67Å; Y412-Y417 HydrophobicContact CD1-CG 3.67Å; Y412-Y417 AromaticContact CE1-CD1 3.72Å; Y412-Y417 HydrophobicContact CE1-CD1 3.72Å; Y412-Y417 HydrophobicContact CE1-CE1 4.16Å; Y412-Y417 AromaticContact CE1-CG 3.93Å; Y412-Y417 HydrophobicContact CE1-CG 3.93Å; Y412-Y417 HydrophobicContact CG-CD2 4.38Å; Y412-Y417 HydrophobicContact CG-CG 4.31Å; Y412-E419 CarbonylContact O-C 3.53Å; Y412-E419 WeakPolarHBondContact O-CA 3.44Å; Y412-V420 HydrophobicContact CD1-CG2 3.78Å; Y412-V420 HydrophobicContact CG-CG2 4.44Å; Y412-V420 PolarHBondContact O-N 2.63Å; Y412-S421 PolarHBondContact O-OG 3.14Å |
| 413 | K | 93 | Very high | 92.5 | Very high | 75 Ų | 75 | 51 Ų | 51 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.9 | 162.1 | -73.3 | -174.2 | -161.5 | 157.7 | 0 | 112.1 | R409 E410 K411 E419 S421 | R409-K413 WeakPolarHBondContact O-CG 3.35Å; R409-K413 PolarHBondContact O-N 3.08Å; R409-K413 VanDerWaalsContact O-N 3.08Å; E410-K413 WeakPolarHBondContact O-CB 3.38Å; E410-K413 PolarHBondContact O-N 3.47Å; E410-K413 VanDerWaalsContact O-N 3.11Å; E410-K413 IonicContact OE1-NZ 3.91Å; E410-K413 PolarHBondContact OE1-NZ 3.05Å; E410-K413 WeakPolarHBondContact OE2-CD 3.11Å; E410-K413 WeakPolarHBondContact OE2-CE 3.45Å; E410-K413 IonicContact OE2-NZ 3.39Å; E410-K413 PolarHBondContact OE2-NZ 2.95Å; K411-K413 VanDerWaalsContact C-N 3.29Å; K411-K413 PolarHBondContact O-N 2.94Å; K413-E419 WeakPolarHBondContact O-CG 3.44Å; K413-S421 WeakPolarHBondContact CG-OG 3.28Å; K413-S421 PolarHBondContact N-OG 2.94Å |
| 414 | G | 88.5 | Confident | 92.2 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -59.6 | 144.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K411 Y412 K416 Y417 | K411-G414 PolarHBondContact O-N 3.22Å; K411-G414 VanDerWaalsContact O-N 3.15Å; Y412-G414 VanDerWaalsContact C-N 3.29Å; G414-K416 PolarHBondContact O-N 3.22Å; G414-K416 VanDerWaalsContact O-N 3.15Å; G414-Y417 PolarHBondContact O-N 3.04Å |
| 415 | S | 87.3 | Confident | 91.9 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 72% | 0.72 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -58.6 | -26.8 | 176 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | Y417 L418 | S415-Y417 PolarHBondContact O-N 3.23Å; S415-L418 PolarHBondContact O-N 2.92Å; S415-L418 VanDerWaalsContact O-N 3.1Å |
| 416 | K | 88.5 | Confident | 91.4 | Very high | 151 Ų | 151 | 51.2 Ų | 51.2 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -51.5 | -35.8 | 170.9 | -177.4 | -175.4 | 176.3 | -163.6 | 0 | 112.5 | G414 | G414-K416 PolarHBondContact O-N 3.22Å; G414-K416 VanDerWaalsContact O-N 3.15Å |
| 417 | Y | 90.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -109.6 | 21.2 | -177.7 | -55.6 | -71.4 | 0 | 0 | 0 | 112.6 | K411 Y412 G414 S415 E419 V420 | K411-Y417 WeakPolarHBondContact CE-OH 3.47Å; K411-Y417 HydrophobicContact CG-CD2 4.43Å; K411-Y417 HydrophobicContact CG-CE2 3.81Å; K411-Y417 VanDerWaalsContact O-CD2 3.31Å; K411-Y417 WeakPolarHBondContact O-CD2 3.42Å; Y412-Y417 AromaticContact CD1-CD1 3.96Å; Y412-Y417 HydrophobicContact CD1-CD1 3.96Å; Y412-Y417 HydrophobicContact CD1-CD2 4.18Å; Y412-Y417 AromaticContact CD1-CG 3.67Å; Y412-Y417 HydrophobicContact CD1-CG 3.67Å; Y412-Y417 AromaticContact CE1-CD1 3.72Å; Y412-Y417 HydrophobicContact CE1-CD1 3.72Å; Y412-Y417 HydrophobicContact CE1-CE1 4.16Å; Y412-Y417 AromaticContact CE1-CG 3.93Å; Y412-Y417 HydrophobicContact CE1-CG 3.93Å; Y412-Y417 HydrophobicContact CG-CD2 4.38Å; Y412-Y417 HydrophobicContact CG-CG 4.31Å; G414-Y417 PolarHBondContact O-N 3.04Å; S415-Y417 PolarHBondContact O-N 3.23Å; Y417-E419 PolarHBondContact O-N 3.23Å; Y417-E419 VanDerWaalsContact O-N 3.12Å; Y417-V420 VanDerWaalsContact O-CG1 3.32Å; Y417-V420 WeakPolarHBondContact O-CG1 3.25Å; Y417-V420 WeakPolarHBondContact O-CG2 3.45Å; Y417-V420 PolarHBondContact O-N 2.6Å |
| 418 | L | 91.5 | Very high | 89.2 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 44% | 0.44 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.9 | 175.5 | -52.1 | 172.1 | 0 | 0 | 0 | 114.2 | K326 Q327 S415 V420 | K326-L418 HydrophobicContact CB-CD1 3.86Å; Q327-L418 HydrophobicContact CB-CD1 4.18Å; S415-L418 PolarHBondContact O-N 2.92Å; S415-L418 VanDerWaalsContact O-N 3.1Å; L418-V420 HydrophobicContact CB-CG1 4.34Å; L418-V420 PolarHBondContact O-N 3.23Å; L418-V420 VanDerWaalsContact O-N 3.09Å |
| 419 | E | 92.4 | Very high | 88.2 | Confident | 113 Ų | 113 | 64.5 Ų | 64.5 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 29.7 | 178.7 | -45.1 | -171.7 | 174 | 0 | 0 | 114 | Y412 K413 Y417 S421 S422 | Y412-E419 CarbonylContact O-C 3.53Å; Y412-E419 WeakPolarHBondContact O-CA 3.44Å; K413-E419 WeakPolarHBondContact O-CG 3.44Å; Y417-E419 PolarHBondContact O-N 3.23Å; Y417-E419 VanDerWaalsContact O-N 3.12Å; E419-S421 PolarHBondContact O-N 3.35Å; E419-S421 VanDerWaalsContact O-N 3.1Å; E419-S422 WeakPolarHBondContact O-CB 3.33Å; E419-S422 PolarHBondContact O-N 2.76Å |
| 420 | V | 92.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -61.3 | -23.7 | -172.4 | -71.6 | 0 | 0 | 0 | 0 | 114.2 | Q327 L331 Y412 Y417 L418 S422 I423 | Q327-V420 HydrophobicContact CG-CG1 4.03Å; L331-V420 HydrophobicContact CB-CB 4.13Å; L331-V420 HydrophobicContact CB-CG1 4.15Å; L331-V420 HydrophobicContact CD1-CB 4.15Å; Y412-V420 HydrophobicContact CD1-CG2 3.78Å; Y412-V420 HydrophobicContact CG-CG2 4.44Å; Y412-V420 PolarHBondContact O-N 2.63Å; Y417-V420 VanDerWaalsContact O-CG1 3.32Å; Y417-V420 WeakPolarHBondContact O-CG1 3.25Å; Y417-V420 WeakPolarHBondContact O-CG2 3.45Å; Y417-V420 PolarHBondContact O-N 2.6Å; L418-V420 HydrophobicContact CB-CG1 4.34Å; L418-V420 PolarHBondContact O-N 3.23Å; L418-V420 VanDerWaalsContact O-N 3.09Å; V420-S422 PolarHBondContact O-N 3.22Å; V420-I423 HydrophobicContact CB-CD1 4.03Å; V420-I423 HydrophobicContact CG1-CD1 3.9Å; V420-I423 WeakPolarHBondContact O-CB 3.34Å; V420-I423 WeakPolarHBondContact O-CG1 3.05Å; V420-I423 PolarHBondContact O-N 3.28Å; V420-I423 VanDerWaalsContact O-N 3.13Å |
| 421 | S | 91.5 | Very high | 85.2 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -71.5 | -11.6 | 176.5 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | R409 Y412 K413 E419 | R409-S421 PolarHBondContact NH2-O 2.84Å; R409-S421 WeakPolarHBondContact O-CB 3.34Å; R409-S421 PolarHBondContact O-OG 3.12Å; Y412-S421 PolarHBondContact O-OG 3.14Å; K413-S421 WeakPolarHBondContact CG-OG 3.28Å; K413-S421 PolarHBondContact N-OG 2.94Å; E419-S421 PolarHBondContact O-N 3.35Å; E419-S421 VanDerWaalsContact O-N 3.1Å |
| 422 | S | 89.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -88 | -11.8 | 172.1 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | E419 V420 S424 | E419-S422 WeakPolarHBondContact O-CB 3.33Å; E419-S422 PolarHBondContact O-N 2.76Å; V420-S422 PolarHBondContact O-N 3.22Å; S422-S424 PolarHBondContact O-N 3.41Å |
| 423 | I | 89.3 | Confident | 82.5 | Confident | 38 Ų | 38 | 77 Ų | 77 | 20% | 0.195 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -65.7 | 131.3 | 176.4 | -61.3 | 171.5 | 0 | 0 | 0 | 108.7 | Q327 L331 T365 Y397 V420 | Q327-I423 HydrophobicContact CG-CD1 4.11Å; L331-I423 HydrophobicContact CD2-CD1 4.49Å; T365-I423 HydrophobicContact CG2-CG2 3.78Å; Y397-I423 PolarHBondContact OH-O 3.42Å; V420-I423 HydrophobicContact CB-CD1 4.03Å; V420-I423 HydrophobicContact CG1-CD1 3.9Å; V420-I423 WeakPolarHBondContact O-CB 3.34Å; V420-I423 WeakPolarHBondContact O-CG1 3.05Å; V420-I423 PolarHBondContact O-N 3.28Å; V420-I423 VanDerWaalsContact O-N 3.13Å |
| 424 | S | 85.8 | Confident | 81.9 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 128.9 | 179.6 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | S422 | S422-S424 PolarHBondContact O-N 3.41Š|
| 425 | P | 87.1 | Confident | 81.6 | Confident | 42 Ų | 42 | 79.7 Ų | 79.7 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 144.5 | 177.6 | 26.7 | -32.8 | 0 | 0 | 0 | 110.4 | Y397 V398 T427 | Y397-P425 HydrophobicContact CD1-CB 3.58Å; Y397-P425 HydrophobicContact CD2-CB 4.21Å; Y397-P425 HydrophobicContact CE1-CB 3.57Å; Y397-P425 HydrophobicContact CE2-CB 4.17Å; Y397-P425 HydrophobicContact CG-CB 3.9Å; V398-P425 HydrophobicContact CB-CG 4.47Å; V398-P425 HydrophobicContact CG2-CB 3.89Å; V398-P425 HydrophobicContact CG2-CG 4.03Å; P425-T427 PolarHBondContact O-N 3.18Å |
| 426 | P | 83.9 | Confident | 81.2 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 20% | 0.195 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 132.7 | 178.8 | 25.9 | -32.9 | 0 | 0 | 0 | 110.6 | L361 T365 H394 K428 | L361-P426 HydrophobicContact CD1-CG 4.38Å; T365-P426 WeakPolarHBondContact OG1-CD 3.38Å; H394-P426 PolarHBondContact CE1-O 2.93Å; H394-P426 PolarHBondContact NE2-O 3.04Å; P426-K428 VanDerWaalsContact C-N 3.28Å; P426-K428 PolarHBondContact O-N 3.38Å |
| 427 | T | 73.8 | Confident | 80.8 | Confident | 140 Ų | 140 | 73.8 Ų | 73.8 | 86% | 0.859 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -69.6 | -25.9 | -178.3 | -35.5 | 0 | 0 | 0 | 0 | 113.1 | P425 | P425-T427 PolarHBondContact O-N 3.18Š|
| 428 | K | 72.7 | Confident | 80.2 | Confident | 163 Ų | 163 | 77.9 Ų | 77.9 | 71% | 0.709 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -135.8 | 135.8 | 174 | -70.6 | -175.1 | 179.6 | -178.6 | 0 | 109.3 | P426 M430 | P426-K428 VanDerWaalsContact C-N 3.28Å; P426-K428 PolarHBondContact O-N 3.38Å; K428-M430 PolarHBondContact O-N 3.49Å |
| 429 | L | 74.5 | Confident | 79.3 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 23% | 0.225 | 43% | 0.426 | C | S | . | . | trans | -74.1 | 103.4 | 171.7 | -66 | 172.6 | 0 | 0 | 0 | 108.7 | L361 I390 E391 H394 L431 | L361-L429 HydrophobicContact CD1-CD2 3.67Å; I390-L429 HydrophobicContact CG2-CD1 3.91Å; I390-L429 HydrophobicContact CG2-CD2 4.36Å; E391-L429 HydrophobicContact CG-CD1 4.45Å; H394-L429 HydrophobicContact CB-CD1 4.07Å; H394-L429 HydrophobicContact CB-CD2 4.27Å; H394-L429 HydrophobicContact CB-CG 4.47Å; L429-L431 HydrophobicContact CB-CD1 4.06Å; L429-L431 HydrophobicContact CB-CG 4.21Å; L429-L431 HydrophobicContact CD1-CD1 4.35Å; L429-L431 PolarHBondContact O-N 3.45Å | ||
| 430 | M | 62.1 | Low | 78.3 | Confident | 128 Ų | 128 | 74.8 Ų | 74.8 | 63% | 0.631 | 42% | 0.419 | S | S | * | . | trans | -88.2 | 66.3 | 173.2 | -57 | -67.9 | -89.7 | 0 | 0 | 108.9 | K428 N432 | K428-M430 PolarHBondContact O-N 3.49Å; M430-N432 PolarHBondContact O-N 3.14Å | ||
| 431 | L | 65.7 | Low | 77.1 | Confident | 26 Ų | 26 | 81 Ų | 81 | 14% | 0.136 | 45% | 0.454 | C | S | . | . | trans | -93.5 | 86.4 | 177.2 | -63.7 | 167.5 | 0 | 0 | 0 | 107.3 | V360 N364 L383 M387 I390 L429 | V360-L431 HydrophobicContact CG1-CD2 3.57Å; N364-L431 HydrophobicContact CB-CD2 4.4Å; L383-L431 HydrophobicContact CD1-CD1 4.46Å; L383-L431 HydrophobicContact CD1-CD2 4.47Å; L383-L431 HydrophobicContact CD2-CB 4.18Å; M387-L431 HydrophobicContact CE-CD1 4.07Å; M387-L431 HydrophobicContact SD-CD1 3.7Å; I390-L431 HydrophobicContact CD1-CD1 4.33Å; I390-L431 HydrophobicContact CG2-CD1 3.95Å; L429-L431 HydrophobicContact CB-CD1 4.06Å; L429-L431 HydrophobicContact CB-CG 4.21Å; L429-L431 HydrophobicContact CD1-CD1 4.35Å; L429-L431 PolarHBondContact O-N 3.45Å | ||
| 432 | N | 49.8 | Very low | 75.8 | Confident | 189 Ų | 189 | 88.2 Ų | 88.2 | 100% | 1.011 | 49% | 0.493 | S | S | * | . | trans | -91.1 | 0 | 177.2 | -75.6 | -11.9 | 0 | 0 | 0 | 112 | M430 | M430-N432 PolarHBondContact O-N 3.14Š|
Retrieved 432 of 432 residues in 922.9 ms
(Link to these results)