| 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 | 53.5 | Low | 53.2 | Low | 233 Ų | 233 | 158.5 Ų | 158.5 | 100% | 1.148 | 84% | 0.836 | S | S | * | * | 0 | 121.9 | 0 | -76.1 | 163.1 | 142.1 | 0 | 0 | 107.9 | |||||
| 2 | T | 50.8 | Low | 53 | Low | 132 Ų | 132 | 159.5 Ų | 159.5 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | 56.5 | 105.1 | 157.6 | 72.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 3 | S | 50.7 | Low | 52.9 | Low | 116 Ų | 116 | 156.2 Ų | 156.2 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | 74.9 | 138.5 | 74 | -161 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 4 | S | 52.3 | Low | 53.3 | Low | 108 Ų | 108 | 152.3 Ų | 152.3 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | cis | -164.4 | 162.9 | 19.8 | -161.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | Y | 47.5 | Very low | 52.9 | Low | 230 Ų | 230 | 154.4 Ų | 154.4 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | -61 | 157.4 | 163.8 | -96.5 | -111.5 | 0 | 0 | 0 | 114.1 | ||||
| 6 | G | 59.3 | Low | 52.4 | Low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | trans | -177.3 | 99.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | H | 54.3 | Low | 51.9 | Low | 162 Ų | 162 | 145.3 Ų | 145.3 | 75% | 0.75 | 83% | 0.832 | S | S | * | * | 70.7 | 105.9 | 86.2 | -170.9 | -85.5 | 0 | 0 | 0 | 113.3 | |||||
| 8 | V | 65.8 | Low | 51.6 | Low | 124 Ų | 124 | 150.3 Ų | 150.3 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | trans | -155.6 | 104.1 | 136.8 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | E10 | V8-E10 HydrophobicContact CG1-CB 3.94Š| ||
| 9 | L | 51.7 | Low | 51.7 | Low | 160 Ų | 160 | 149.3 Ų | 149.3 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | trans | -77.5 | 124 | 145.3 | -98.3 | 152.2 | 0 | 0 | 0 | 106.5 | ||||
| 10 | E | 53.8 | Low | 51.4 | Low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -149.6 | 121.1 | 158 | -159.6 | 167.6 | 103.6 | 0 | 0 | 112.6 | V8 | V8-E10 HydrophobicContact CG1-CB 3.94Š| ||
| 11 | R | 45.6 | Very low | 51.5 | Low | 227 Ų | 227 | 146.1 Ų | 146.1 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -79.3 | 142 | 166.6 | -81.8 | 176.8 | 153.1 | 145.7 | -6.5 | 109.7 | ||||
| 12 | Q | 50.9 | Low | 51.1 | Low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | 159 | 136.1 | 119.8 | -87.5 | -85.9 | 34.7 | 0 | 0 | 110 | |||||
| 13 | P | 51 | Low | 50.8 | Low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 126.4 | 168.4 | 33 | -23.3 | 0 | 0 | 0 | 109.7 | ||||
| 14 | A | 58.8 | Low | 50.5 | Low | 101 Ų | 101 | 139.1 Ų | 139.1 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -122.1 | 137.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | L | 46.9 | Very low | 50.4 | Low | 184 Ų | 184 | 141.3 Ų | 141.3 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | trans | -74.7 | 153.6 | -168.9 | -61.1 | 162.7 | 0 | 0 | 0 | 112.9 | ||||
| 16 | G | 45.8 | Very low | 50.5 | Low | 84 Ų | 84 | 136.5 Ų | 136.5 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | 119.3 | 130.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 17 | G | 43.9 | Very low | 50.2 | Low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | 156.1 | 157.9 | 12.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 18 | R | 45.3 | Very low | 50.2 | Low | 235 Ų | 235 | 139.3 Ų | 139.3 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | 80.3 | 144.7 | 179.8 | -63.2 | -159.1 | 86.8 | -155.7 | 7.3 | 116.6 | ||||
| 19 | L | 54 | Low | 49.7 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | cis | 179 | 139.4 | -27.9 | -128.6 | 153.6 | 0 | 0 | 0 | 102.3 | ||||
| 20 | D | 46.3 | Very low | 50.1 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | 72.7 | 104.6 | 151.8 | -144.7 | -86.5 | 0 | 0 | 0 | 119 | ||||
| 21 | S | 52.4 | Low | 50.4 | Low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -179.8 | 137.4 | 95.1 | -125.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 22 | P | 46.8 | Very low | 51.8 | Low | 124 Ų | 124 | 131.6 Ų | 131.6 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -92.4 | 131 | 179.1 | 34.8 | -28 | 0 | 0 | 0 | 110.9 | ||||
| 23 | G | 43.4 | Very low | 53.2 | Low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 179.9 | 134.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 24 | N | 44.7 | Very low | 54.7 | Low | 133 Ų | 133 | 133.8 Ų | 133.8 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 92.6 | 65.5 | 162.9 | -109.8 | -62.8 | 0 | 0 | 0 | 120.3 | D26 | N24-D26 VanDerWaalsContact C-N 3.28Å; N24-D26 PolarHBondContact O-N 2.93Å; N24-D26 PolarHBondContact OD1-OD2 2.99Å | ||
| 25 | L | 49.3 | Very low | 56.1 | Low | 153 Ų | 153 | 131.4 Ų | 131.4 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | 43.5 | -6.7 | 112.7 | -161.4 | 53.1 | 0 | 0 | 0 | 123.8 | |||||
| 26 | D | 49.5 | Very low | 58 | Low | 129 Ų | 129 | 127.2 Ų | 127.2 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 26.7 | -168.2 | -67 | -57.8 | 0 | 0 | 0 | 117.3 | N24 | N24-D26 VanDerWaalsContact C-N 3.28Å; N24-D26 PolarHBondContact O-N 2.93Å; N24-D26 PolarHBondContact OD1-OD2 2.99Å |
| 27 | T | 53.5 | Low | 59.9 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -1.8 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 28 | L | 54.9 | Low | 61.8 | Low | 163 Ų | 163 | 125.1 Ų | 125.1 | 85% | 0.853 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -94.7 | 1.9 | -168.7 | -77.1 | 176.7 | 0 | 0 | 0 | 117.5 | ||
| 29 | Q | 54.9 | Low | 63.8 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -110.4 | 1.6 | 176.3 | -66 | -163 | -1.9 | 0 | 0 | 115.5 | K31 | Q29-K31 PolarHBondContact O-N 3.46Š|
| 30 | A | 59.8 | Low | 65.5 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 79% | 0.793 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 19.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 31 | K | 61.5 | Low | 67 | Low | 197 Ų | 197 | 118.6 Ų | 118.6 | 86% | 0.857 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 17.5 | -170.9 | -103.6 | 171 | 167.4 | 176.7 | 0 | 115 | Q29 N33 | Q29-K31 PolarHBondContact O-N 3.46Å; K31-N33 PolarHBondContact O-N 3.25Å |
| 32 | K | 73.4 | Confident | 68.1 | Low | 94 Ų | 94 | 118.8 Ų | 118.8 | 41% | 0.409 | 66% | 0.657 | S | S | . | * | trans | -77.6 | 123.5 | 172.5 | -71.6 | 173.4 | 177.1 | 179.4 | 0 | 109 | H38 E43 | K32-H38 WeakPolarHBondContact CB-NE2 3.49Å; K32-H38 WeakPolarHBondContact CD-CE1 3.49Å; K32-H38 WeakPolarHBondContact CD-NE2 3.44Å; K32-E43 VanDerWaalsContact CD-OE1 3.27Å; K32-E43 WeakPolarHBondContact CD-OE1 3.27Å; K32-E43 WeakPolarHBondContact CE-OE1 3.26Å; K32-E43 WeakPolarHBondContact CE-OE2 3.37Å; K32-E43 IonicContact NZ-OE1 3.9Å; K32-E43 PolarHBondContact NZ-OE1 3.39Å; K32-E43 IonicContact NZ-OE2 2.86Å; K32-E43 PolarHBondContact NZ-OE2 2.84Å | ||
| 33 | N | 80.5 | Confident | 68.8 | Low | 144 Ų | 144 | 116.6 Ų | 116.6 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | trans | -55.3 | 148.9 | 178.8 | -64 | -57.8 | 0 | 0 | 0 | 110 | K31 S35 | K31-N33 PolarHBondContact O-N 3.25Å; N33-S35 PolarHBondContact O-N 3.03Å | ||
| 34 | F | 83.7 | Confident | 69.5 | Low | 190 Ų | 190 | 120.8 Ų | 120.8 | 83% | 0.833 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -54.6 | 105.7 | 175.3 | 179.3 | -97.2 | 0 | 0 | 0 | 110.3 | ||
| 35 | S | 87.4 | Confident | 69.9 | Low | 50 Ų | 50 | 118.7 Ų | 118.7 | 35% | 0.35 | 64% | 0.637 | S | S | . | * | trans | -130.7 | 145 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | N33 S37 H38 L39 | N33-S35 PolarHBondContact O-N 3.03Å; S35-S37 PolarHBondContact O-N 2.98Å; S35-S37 PolarHBondContact OG-N 3.33Å; S35-S37 PolarHBondContact OG-OG 2.95Å; S35-H38 CarbonylContact O-C 3.48Å; S35-H38 WeakPolarHBondContact O-CA 3.41Å; S35-H38 PolarHBondContact O-N 2.94Å; S35-L39 PolarHBondContact O-N 3.41Å | ||
| 36 | V | 86 | Confident | 70 | Confident | 96 Ų | 96 | 115 Ų | 115 | 58% | 0.582 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.1 | -36.7 | 173.8 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | H38 L39 L40 | V36-H38 PolarHBondContact O-N 2.94Å; V36-L39 PolarHBondContact O-N 3.37Å; V36-L40 HydrophobicContact CG1-CD1 3.71Å; V36-L40 HydrophobicContact CG1-CG 4.27Å; V36-L40 WeakPolarHBondContact O-CB 3.41Å; V36-L40 WeakPolarHBondContact O-CG 3.5Å; V36-L40 PolarHBondContact O-N 3.25Å |
| 37 | S | 86.1 | Confident | 70 | Confident | 54 Ų | 54 | 115.7 Ų | 115.7 | 38% | 0.378 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.3 | -32.8 | 174.2 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | S35 D41 L42 | S35-S37 PolarHBondContact O-N 2.98Å; S35-S37 PolarHBondContact OG-N 3.33Å; S35-S37 PolarHBondContact OG-OG 2.95Å; S37-D41 CarbonylContact O-C 3.59Å; S37-D41 WeakPolarHBondContact O-CA 3.47Å; S37-D41 PolarHBondContact O-N 2.92Å; S37-D41 VanDerWaalsContact O-N 3.12Å; S37-L42 PolarHBondContact O-N 3.23Å |
| 38 | H | 85 | Confident | 69.8 | Low | 56 Ų | 56 | 117.1 Ų | 117.1 | 26% | 0.259 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -86.5 | -27.8 | 180 | -152 | 54.2 | 0 | 0 | 0 | 112.4 | K32 S35 V36 L40 E43 | K32-H38 WeakPolarHBondContact CB-NE2 3.49Å; K32-H38 WeakPolarHBondContact CD-CE1 3.49Å; K32-H38 WeakPolarHBondContact CD-NE2 3.44Å; S35-H38 CarbonylContact O-C 3.48Å; S35-H38 WeakPolarHBondContact O-CA 3.41Å; S35-H38 PolarHBondContact O-N 2.94Å; V36-H38 PolarHBondContact O-N 2.94Å; H38-L40 VanDerWaalsContact C-N 3.29Å; H38-E43 IonicContact CE1-OE1 2.8Å; H38-E43 PolarHBondContact CE1-OE1 3.02Å; H38-E43 IonicContact ND1-OE1 2.7Å; H38-E43 PolarHBondContact ND1-OE1 3.29Å; H38-E43 IonicContact ND1-OE2 3.23Å |
| 39 | L | 87.5 | Confident | 69.5 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.3 | -28.2 | 172.5 | -177.4 | 61.2 | 0 | 0 | 0 | 112.4 | S35 V36 | S35-L39 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 3.37Å |
| 40 | L | 88 | Confident | 69 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 58% | 0.576 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 5.9 | -179.1 | -62.9 | 179.5 | 0 | 0 | 0 | 112.4 | V36 H38 L42 | V36-L40 HydrophobicContact CG1-CD1 3.71Å; V36-L40 HydrophobicContact CG1-CG 4.27Å; V36-L40 WeakPolarHBondContact O-CB 3.41Å; V36-L40 WeakPolarHBondContact O-CG 3.5Å; V36-L40 PolarHBondContact O-N 3.25Å; H38-L40 VanDerWaalsContact C-N 3.29Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 HydrophobicContact CB-CD1 3.13Å; L40-L42 HydrophobicContact CD1-CD1 3.96Å; L40-L42 HydrophobicContact CG-CD1 4.18Å; L40-L42 PolarHBondContact O-N 2.91Å |
| 41 | D | 78.2 | Confident | 68.1 | Low | 125 Ų | 125 | 113.5 Ų | 113.5 | 67% | 0.668 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.1 | 46.3 | -177.6 | -63.9 | -39.4 | 0 | 0 | 0 | 114.1 | S37 | S37-D41 CarbonylContact O-C 3.59Å; S37-D41 WeakPolarHBondContact O-CA 3.47Å; S37-D41 PolarHBondContact O-N 2.92Å; S37-D41 VanDerWaalsContact O-N 3.12Å |
| 42 | L | 75.9 | Confident | 67.2 | Low | 108 Ų | 108 | 113.7 Ų | 113.7 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | trans | -85.1 | -15.7 | 178 | -85.8 | 92.9 | 0 | 0 | 0 | 114.2 | S37 L40 | S37-L42 PolarHBondContact O-N 3.23Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 HydrophobicContact CB-CD1 3.13Å; L40-L42 HydrophobicContact CD1-CD1 3.96Å; L40-L42 HydrophobicContact CG-CD1 4.18Å; L40-L42 PolarHBondContact O-N 2.91Å | ||
| 43 | E | 61.5 | Low | 65.8 | Low | 78 Ų | 78 | 114.5 Ų | 114.5 | 36% | 0.364 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | 137.8 | 168.4 | 64.2 | -178.8 | 177.3 | 0 | 0 | 107.8 | K32 H38 | K32-E43 VanDerWaalsContact CD-OE1 3.27Å; K32-E43 WeakPolarHBondContact CD-OE1 3.27Å; K32-E43 WeakPolarHBondContact CE-OE1 3.26Å; K32-E43 WeakPolarHBondContact CE-OE2 3.37Å; K32-E43 IonicContact NZ-OE1 3.9Å; K32-E43 PolarHBondContact NZ-OE1 3.39Å; K32-E43 IonicContact NZ-OE2 2.86Å; K32-E43 PolarHBondContact NZ-OE2 2.84Å; H38-E43 IonicContact CE1-OE1 2.8Å; H38-E43 PolarHBondContact CE1-OE1 3.02Å; H38-E43 IonicContact ND1-OE1 2.7Å; H38-E43 PolarHBondContact ND1-OE1 3.29Å; H38-E43 IonicContact ND1-OE2 3.23Å |
| 44 | E | 57.4 | Low | 64.2 | Low | 165 Ų | 165 | 114.7 Ų | 114.7 | 77% | 0.771 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.3 | -14 | -177.1 | -150.2 | 172.9 | 148.4 | 0 | 0 | 116.6 | G46 | E44-G46 PolarHBondContact O-N 3.24Š|
| 45 | A | 53.8 | Low | 62.5 | Low | 90 Ų | 90 | 113.8 Ų | 113.8 | 74% | 0.744 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -5.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 46 | G | 51.7 | Low | 60.4 | Low | 74 Ų | 74 | 116.6 Ų | 116.6 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -5.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E44 | E44-G46 PolarHBondContact O-N 3.24Š|
| 47 | D | 50.2 | Low | 58.6 | Low | 144 Ų | 144 | 119 Ų | 119 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -110.3 | 12 | -164.1 | -143.1 | 18.7 | 0 | 0 | 0 | 114.9 | ||
| 48 | M | 48.7 | Very low | 56.7 | Low | 159 Ų | 159 | 120.1 Ų | 120.1 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -106.7 | 6.7 | -175.7 | -44.3 | -169.4 | -147.7 | 0 | 0 | 114.8 | ||
| 49 | V | 49.2 | Very low | 54.8 | Low | 143 Ų | 143 | 126.6 Ų | 126.6 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -133.2 | 55.6 | -177.7 | -166.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 50 | A | 43.6 | Very low | 52.9 | Low | 90 Ų | 90 | 125.4 Ų | 125.4 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -156.7 | 52.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 51 | A | 41.1 | Very low | 50.9 | Low | 94 Ų | 94 | 123.4 Ų | 123.4 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -155.5 | 134.3 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 52 | Q | 41.6 | Very low | 49.7 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | 91.8 | 74.3 | -179.3 | -52.6 | -162.9 | -41 | 0 | 0 | 116.6 | ||||
| 53 | A | 44.8 | Very low | 48.1 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -146.5 | 94.2 | 142.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 54 | D | 46.6 | Very low | 48.1 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -105.2 | 138.7 | 171.5 | -167.4 | -135.2 | 0 | 0 | 0 | 107.8 | ||||
| 55 | E | 47.3 | Very low | 48.2 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 72.7 | 109 | 166.4 | -51.1 | -125.4 | 89.3 | 0 | 0 | 119.8 | ||||
| 56 | S | 44.6 | Very low | 47.8 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | 151 | 109.5 | 117 | -168.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 57 | V | 47.8 | Very low | 48.1 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | 43.4 | 117.7 | 137.9 | -171.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 58 | G | 46.6 | Very low | 48.3 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 172.6 | 103.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 59 | E | 43.8 | Very low | 48.1 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 158.8 | -171.4 | -164.3 | 170.3 | 102.2 | 0 | 0 | 116.5 | ||||
| 60 | A | 47.7 | Very low | 48.1 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 76.9 | 106.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 61 | G | 47.8 | Very low | 48.8 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | 142.7 | 112.3 | 119.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 62 | R | 52.1 | Low | 49.2 | Very low | 251 Ų | 251 | 136 Ų | 136 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | 93 | 88.5 | 133.6 | -51.9 | -178.4 | 171 | -177.6 | -5.4 | 118.2 | ||||
| 63 | S | 42.7 | Very low | 49.8 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -48.9 | 137.9 | 148.8 | 175.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 64 | L | 61.4 | Low | 50.3 | Low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -163.7 | 88.8 | 143.1 | -158 | 79.3 | 0 | 0 | 0 | 107.9 | ||||
| 65 | L | 58.1 | Low | 50.1 | Low | 123 Ų | 123 | 129.9 Ų | 129.9 | 64% | 0.644 | 80% | 0.798 | S | S | * | * | 49.5 | 115.4 | 96.9 | -98.5 | 152.9 | 0 | 0 | 0 | 114.3 | |||||
| 66 | E | 46.1 | Very low | 50.8 | Low | 180 Ų | 180 | 128 Ų | 128 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | 162.9 | 93.2 | 116 | -157.2 | 154 | 118.8 | 0 | 0 | 109.3 | |||||
| 67 | S | 59 | Low | 50.9 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | 84.6 | 165 | 84.1 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 68 | P | 52.9 | Low | 51 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -135.8 | -171.6 | -99.2 | 28.1 | -1.1 | 0 | 0 | 0 | 112.9 | |||||
| 69 | G | 44.3 | Very low | 51.1 | Low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 144.8 | 87.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 70 | L | 50.2 | Low | 51 | Low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | 53.9 | 101.1 | 78.3 | -47.5 | -179 | 0 | 0 | 0 | 113.6 | |||||
| 71 | T | 57.6 | Low | 50.9 | Low | 146 Ų | 146 | 132.8 Ų | 132.8 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | -148.9 | 99.6 | 127.1 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 72 | S | 51.1 | Low | 50.8 | Low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -59.5 | 142.7 | 159.3 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 73 | G | 52.8 | Low | 50.3 | Low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -150 | 90.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 74 | S | 55.2 | Low | 50.7 | Low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -68.6 | 151.4 | -170.1 | -164.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 75 | D | 43.4 | Very low | 49.9 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -54.5 | 130.2 | 164.9 | -144.9 | -81.2 | 0 | 0 | 0 | 112 | ||||
| 76 | T | 60.6 | Low | 49.4 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -154.1 | 127 | 154.2 | 28.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 77 | P | 48 | Very low | 49.8 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -98.6 | 111.8 | 176.1 | 33.9 | -25.4 | 0 | 0 | 0 | 110 | ||||
| 78 | Q | 49.2 | Very low | 49.8 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -162.5 | 118.3 | 164 | -142.7 | 161.9 | -109 | 0 | 0 | 114.5 | ||||
| 79 | Q | 48.7 | Very low | 49.9 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | 52.9 | 122.5 | 139 | -69.4 | 170.5 | -17.6 | 0 | 0 | 120.6 | ||||
| 80 | D | 41.2 | Very low | 50.6 | Low | 154 Ų | 154 | 146.7 Ų | 146.7 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 54.1 | 137.1 | 136.9 | -69.4 | -84.5 | 0 | 0 | 0 | 119.6 | ||||
| 81 | N | 45.7 | Very low | 51.1 | Low | 135 Ų | 135 | 149.6 Ų | 149.6 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 115.3 | 118.3 | 146.7 | -143.5 | 36.6 | 0 | 0 | 0 | 116.7 | ||||
| 82 | D | 45.5 | Very low | 51.5 | Low | 109 Ų | 109 | 153.2 Ų | 153.2 | 58% | 0.583 | 80% | 0.802 | S | S | * | * | trans | 63.8 | 105.4 | 154.9 | -57.1 | -41.5 | 0 | 0 | 0 | 119.1 | ||||
| 83 | Q | 43.6 | Very low | 52.5 | Low | 175 Ų | 175 | 157.4 Ų | 157.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 45.1 | 126.6 | 88.4 | -76.7 | 172.4 | 88.7 | 0 | 0 | 113 | |||||
| 84 | L | 51 | Low | 53.9 | Low | 178 Ų | 178 | 161.6 Ų | 161.6 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | 97.5 | 52.3 | 169.7 | -47.5 | 168.5 | 0 | 0 | 0 | 117.7 | ||||
| 85 | N | 43.5 | Very low | 55.2 | Low | 145 Ų | 145 | 167.2 Ų | 167.2 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -160.5 | 68.8 | 156.6 | -155.2 | -3.8 | 0 | 0 | 0 | 115 | ||||
| 86 | S | 48.4 | Very low | 57 | Low | 121 Ų | 121 | 170.3 Ų | 170.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -133.4 | 19.9 | 178 | -78.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 87 | E | 54.7 | Low | 58.4 | Low | 186 Ų | 186 | 170.4 Ų | 170.4 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -97 | -4.9 | -176.8 | -74.7 | -72 | 118.1 | 0 | 0 | 115.2 | ||
| 88 | E | 57.1 | Low | 60.5 | Low | 173 Ų | 173 | 176.2 Ų | 176.2 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -121 | 1.7 | -168.2 | -71.8 | -164.4 | 134.8 | 0 | 0 | 117.9 | ||
| 89 | K | 55.9 | Low | 62.6 | Low | 187 Ų | 187 | 170.2 Ų | 170.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -136.9 | 99.6 | -176.5 | -66.9 | 178.1 | -176.9 | 170.3 | 0 | 111.8 | ||
| 90 | K | 59.1 | Low | 64.8 | Low | 191 Ų | 191 | 168.9 Ų | 168.9 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | 148.2 | 75.7 | 139.3 | -74.2 | 151.3 | -166.1 | 173.5 | 0 | 112.7 | R92 | K90-R92 PolarHBondContact O-N 3.22Š| ||
| 91 | K | 59.8 | Low | 67.4 | Low | 222 Ų | 222 | 164.6 Ų | 164.6 | 97% | 0.965 | 76% | 0.764 | S | S | * | * | trans | -70.8 | 41.3 | 161.9 | -72.6 | -175.9 | 176.3 | 176.3 | 0 | 112.9 | K93 | K91-K93 PolarHBondContact O-N 3.47Š| ||
| 92 | R | 67.6 | Low | 69.9 | Low | 222 Ų | 222 | 163 Ų | 163 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -85 | 112 | 170.9 | -72.8 | -173.9 | 175.2 | -177.7 | -0.6 | 107.7 | K90 Q94 | K90-R92 PolarHBondContact O-N 3.22Å; R92-Q94 PolarHBondContact O-N 2.89Å | ||
| 93 | K | 70.5 | Confident | 72.4 | Confident | 210 Ų | 210 | 161.2 Ų | 161.2 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | trans | -48 | 108.3 | -177.8 | -150.2 | 93.9 | 166.9 | -173.9 | 0 | 109.9 | K91 R95 | K91-K93 PolarHBondContact O-N 3.47Å; K93-R95 PolarHBondContact O-N 3.32Å; K93-R95 VanDerWaalsContact O-N 3.11Å | ||
| 94 | Q | 83.2 | Confident | 75 | Confident | 167 Ų | 167 | 156.2 Ų | 156.2 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 116.3 | 175.3 | -177.7 | 65.5 | 22.2 | 0 | 0 | 108.4 | R92 R96 | R92-Q94 PolarHBondContact O-N 2.89Å; Q94-R96 PolarHBondContact O-N 3.23Å |
| 95 | R | 81.6 | Confident | 77.2 | Confident | 225 Ų | 225 | 149.2 Ų | 149.2 | 85% | 0.849 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 134.4 | 175.7 | -164.7 | 173.5 | 162.1 | -138 | -1.5 | 108.2 | K93 N97 | K93-R95 PolarHBondContact O-N 3.32Å; K93-R95 VanDerWaalsContact O-N 3.11Å; R95-N97 PolarHBondContact O-N 3.12Å |
| 96 | R | 82.6 | Confident | 79.9 | Confident | 209 Ų | 209 | 145.7 Ų | 145.7 | 79% | 0.789 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 137.4 | -179.5 | -169 | -176.8 | -63.3 | -173.1 | 2.5 | 109.9 | Q94 R98 | Q94-R96 PolarHBondContact O-N 3.23Å; R96-R98 PolarHBondContact O-N 2.79Å |
| 97 | N | 89.9 | Confident | 82.2 | Confident | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 136 | 175.9 | -68 | -45 | 0 | 0 | 0 | 111.4 | R95 | R95-N97 PolarHBondContact O-N 3.12Š|
| 98 | R | 91.8 | Very high | 84.3 | Confident | 234 Ų | 234 | 136.9 Ų | 136.9 | 88% | 0.883 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 137.9 | 177.6 | -177.7 | 177.5 | 179.1 | 174.1 | -0.1 | 109.5 | R96 | R96-R98 PolarHBondContact O-N 2.79Š|
| 99 | T | 92.7 | Very high | 86.3 | Confident | 42 Ų | 42 | 128.7 Ų | 128.7 | 26% | 0.258 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -75.1 | 132.4 | 172.8 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | F101 L133 R137 | T99-F101 HydrophobicContact CG2-CD1 4.25Å; T99-F101 HydrophobicContact CG2-CE1 3.82Å; T99-F101 HydrophobicContact CG2-CZ 4.08Å; T99-L133 HydrophobicContact CG2-CD2 4.31Å; T99-R137 WeakPolarHBondContact OG1-CD 3.42Å; T99-R137 PolarHBondContact OG1-NH1 3.43Å |
| 100 | T | 96.3 | Very high | 88.3 | Confident | 127 Ų | 127 | 122.1 Ų | 122.1 | 78% | 0.779 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 134.9 | 168.5 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 101 | F | 96 | Very high | 90.2 | Very high | 63 Ų | 63 | 119 Ų | 119 | 28% | 0.276 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 136.8 | 178.5 | -57.6 | -73 | 0 | 0 | 0 | 109.4 | T99 L106 L133 W141 | T99-F101 HydrophobicContact CG2-CD1 4.25Å; T99-F101 HydrophobicContact CG2-CE1 3.82Å; T99-F101 HydrophobicContact CG2-CZ 4.08Å; F101-L106 HydrophobicContact CB-CD1 4.44Å; F101-L106 HydrophobicContact CB-CD2 3.67Å; F101-L106 HydrophobicContact CB-CG 3.81Å; F101-L106 HydrophobicContact CD2-CD2 4.17Å; F101-L106 HydrophobicContact CG-CD2 4.09Å; F101-L133 HydrophobicContact CD1-CD1 3.68Å; F101-L133 HydrophobicContact CD1-CD2 4.12Å; F101-L133 HydrophobicContact CE1-CD1 3.5Å; F101-L133 VanDerWaalsContact CE1-CD1 3.5Å; F101-L133 HydrophobicContact CE1-CD2 4.02Å; F101-L133 HydrophobicContact CE1-CG 4.42Å; F101-W141 AromaticContact CE2-CD1 3.68Å; F101-W141 HydrophobicContact CZ-CB 4.31Å; F101-W141 AromaticContact CZ-CD1 3.9Å; F101-W141 HydrophobicContact CZ-CG 4.49Å |
| 102 | N | 97.6 | Very high | 92 | Very high | 103 Ų | 103 | 109.7 Ų | 109.7 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 158.1 | 169.2 | -166.3 | -0.7 | 0 | 0 | 0 | 110.5 | S104 Q105 L106 | N102-S104 VanDerWaalsContact C-N 3.32Å; N102-S104 PolarHBondContact O-N 3.39Å; N102-Q105 HydrophobicContact CB-CG 4.18Å; N102-Q105 WeakPolarHBondContact O-CB 3.46Å; N102-Q105 PolarHBondContact O-N 3.12Å; N102-Q105 VanDerWaalsContact O-N 3.13Å; N102-L106 WeakPolarHBondContact O-CG 3.44Å; N102-L106 PolarHBondContact O-N 2.83Å |
| 103 | S | 98 | Very high | 93.5 | Very high | 70 Ų | 70 | 99.3 Ų | 99.3 | 49% | 0.49 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -54.6 | -45.1 | 177.5 | -175 | 0 | 0 | 0 | 0 | 112.3 | Q105 L106 Q107 | S103-Q105 VanDerWaalsContact C-N 3.32Å; S103-Q105 PolarHBondContact O-N 3.27Å; S103-L106 PolarHBondContact O-N 3.44Å; S103-Q107 WeakPolarHBondContact O-CG 3.31Å; S103-Q107 PolarHBondContact O-N 2.83Å; S103-Q107 PolarHBondContact OG-NE2 3.19Å |
| 104 | S | 97.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 178.1 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | N102 A108 | N102-S104 VanDerWaalsContact C-N 3.32Å; N102-S104 PolarHBondContact O-N 3.39Å; S104-A108 PolarHBondContact O-N 2.84Å; S104-A108 VanDerWaalsContact O-N 3.12Å |
| 105 | Q | 98.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 97.2 Ų | 97.2 | 15% | 0.15 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 176.3 | -60.8 | 175.2 | -39.6 | 0 | 0 | 110.5 | N102 S103 Q107 A108 L109 V131 | N102-Q105 HydrophobicContact CB-CG 4.18Å; N102-Q105 WeakPolarHBondContact O-CB 3.46Å; N102-Q105 PolarHBondContact O-N 3.12Å; N102-Q105 VanDerWaalsContact O-N 3.13Å; S103-Q105 VanDerWaalsContact C-N 3.32Å; S103-Q105 PolarHBondContact O-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.46Å; Q105-A108 PolarHBondContact O-N 2.93Å; Q105-L109 WeakPolarHBondContact O-CB 3.38Å; Q105-L109 WeakPolarHBondContact O-CD1 3.43Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 3.4Å; Q105-L109 PolarHBondContact O-N 3.17Å; Q105-V131 HydrophobicContact CB-CB 4.33Å; Q105-V131 HydrophobicContact CG-CB 4.17Å; Q105-V131 PolarHBondContact NE2-O 3.18Å |
| 106 | L | 98.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 89.1 Ų | 89.1 | 37% | 0.366 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.8 | -68 | 174.8 | 0 | 0 | 0 | 111.8 | F101 N102 S103 A108 L109 E110 | F101-L106 HydrophobicContact CB-CD1 4.44Å; F101-L106 HydrophobicContact CB-CD2 3.67Å; F101-L106 HydrophobicContact CB-CG 3.81Å; F101-L106 HydrophobicContact CD2-CD2 4.17Å; F101-L106 HydrophobicContact CG-CD2 4.09Å; N102-L106 WeakPolarHBondContact O-CG 3.44Å; N102-L106 PolarHBondContact O-N 2.83Å; S103-L106 PolarHBondContact O-N 3.44Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 3.26Å; L106-L109 PolarHBondContact O-N 3.42Å; L106-E110 WeakPolarHBondContact O-CB 3.49Å; L106-E110 PolarHBondContact O-N 3.35Å |
| 107 | Q | 98.3 | Very high | 97 | Very high | 112 Ų | 112 | 82.1 Ų | 82.1 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 177 | -70.8 | 174.2 | 18 | 0 | 0 | 112.2 | S103 Q105 R111 | S103-Q107 WeakPolarHBondContact O-CG 3.31Å; S103-Q107 PolarHBondContact O-N 2.83Å; S103-Q107 PolarHBondContact OG-NE2 3.19Å; Q105-Q107 PolarHBondContact O-N 3.46Å; Q107-R111 WeakPolarHBondContact O-CB 3.11Å; Q107-R111 WeakPolarHBondContact O-CG 3.13Å; Q107-R111 PolarHBondContact O-N 2.94Å; Q107-R111 PolarHBondContact O-NE 3.41Å |
| 108 | A | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 83.4 Ų | 83.4 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S104 Q105 L106 R111 V112 L127 V131 | S104-A108 PolarHBondContact O-N 2.84Å; S104-A108 VanDerWaalsContact O-N 3.12Å; Q105-A108 PolarHBondContact O-N 2.93Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 3.26Å; A108-R111 PolarHBondContact O-N 3.33Å; A108-V112 PolarHBondContact O-N 3.39Å; A108-L127 HydrophobicContact CB-CD1 4.49Å; A108-V131 HydrophobicContact CB-CG1 3.56Å |
| 109 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.9 | -71.2 | 162.2 | 0 | 0 | 0 | 111.5 | Q105 L106 V112 F113 L127 L133 V138 W141 F142 | Q105-L109 WeakPolarHBondContact O-CB 3.38Å; Q105-L109 WeakPolarHBondContact O-CD1 3.43Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 3.4Å; Q105-L109 PolarHBondContact O-N 3.17Å; L106-L109 PolarHBondContact O-N 3.42Å; L109-V112 PolarHBondContact O-N 3.15Å; L109-F113 PolarHBondContact O-N 2.89Å; L109-L127 HydrophobicContact CD2-CD2 3.75Å; L109-L127 HydrophobicContact CD2-CG 4.26Å; L109-L133 HydrophobicContact CD1-CD1 4.38Å; L109-V138 HydrophobicContact CD2-CG1 4.11Å; L109-V138 HydrophobicContact CD2-CG2 4.32Å; L109-W141 HydrophobicContact CB-CD2 4.03Å; L109-W141 HydrophobicContact CB-CE3 3.98Å; L109-W141 HydrophobicContact CB-CH2 3.62Å; L109-W141 HydrophobicContact CB-CZ2 3.63Å; L109-W141 HydrophobicContact CB-CZ3 3.79Å; L109-W141 HydrophobicContact CD1-CD2 3.91Å; L109-W141 HydrophobicContact CD1-CG 3.96Å; L109-W141 HydrophobicContact CD1-CZ2 4.5Å; L109-W141 HydrophobicContact CD2-CD2 4.2Å; L109-W141 HydrophobicContact CD2-CE3 4.06Å; L109-W141 HydrophobicContact CG-CD2 4.28Å; L109-W141 HydrophobicContact CG-CE3 4.42Å; L109-F142 HydrophobicContact CD2-CE2 4.11Å |
| 110 | E | 98.5 | Very high | 98 | Very high | 50 Ų | 50 | 75.9 Ų | 75.9 | 23% | 0.234 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 178.9 | -161.6 | 66 | -151.4 | 0 | 0 | 111.8 | L106 V112 F113 E114 R145 | L106-E110 WeakPolarHBondContact O-CB 3.49Å; L106-E110 PolarHBondContact O-N 3.35Å; E110-V112 PolarHBondContact O-N 3.45Å; E110-F113 WeakPolarHBondContact O-CA 3.47Å; E110-F113 WeakPolarHBondContact O-CB 3.42Å; E110-F113 PolarHBondContact O-N 3.05Å; E110-E114 WeakPolarHBondContact O-CG 3.37Å; E110-E114 PolarHBondContact O-N 3.25Å; E110-R145 IonicContact OE1-CZ 3.3Å; E110-R145 VanDerWaalsContact OE1-CZ 3.3Å; E110-R145 IonicContact OE1-NE 3.51Å; E110-R145 PolarHBondContact OE1-NE 2.83Å; E110-R145 VanDerWaalsContact OE1-NE 3.1Å; E110-R145 IonicContact OE1-NH2 2.68Å; E110-R145 PolarHBondContact OE1-NH2 3.36Å; E110-R145 IonicContact OE2-CZ 3.72Å; E110-R145 IonicContact OE2-NE 3.1Å; E110-R145 PolarHBondContact OE2-NE 2.97Å; E110-R145 IonicContact OE2-NH2 3.74Å |
| 111 | R | 98.2 | Very high | 98.1 | Very high | 125 Ų | 125 | 71.6 Ų | 71.6 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.4 | -32.7 | 173.9 | -84 | -173.3 | -78.9 | 117.6 | -10.6 | 113.4 | Q107 A108 R115 | Q107-R111 WeakPolarHBondContact O-CB 3.11Å; Q107-R111 WeakPolarHBondContact O-CG 3.13Å; Q107-R111 PolarHBondContact O-N 2.94Å; Q107-R111 PolarHBondContact O-NE 3.41Å; A108-R111 PolarHBondContact O-N 3.33Å; R111-R115 PolarHBondContact O-NH1 3.27Å |
| 112 | V | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 75.2 Ų | 75.2 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -79.1 | -39 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | A108 L109 E110 E114 R115 T116 V123 L127 F142 | A108-V112 PolarHBondContact O-N 3.39Å; L109-V112 PolarHBondContact O-N 3.15Å; E110-V112 PolarHBondContact O-N 3.45Å; V112-E114 VanDerWaalsContact C-N 3.32Å; V112-E114 PolarHBondContact O-N 3.33Å; V112-R115 WeakPolarHBondContact O-CB 3.36Å; V112-R115 PolarHBondContact O-N 3.28Å; V112-T116 HydrophobicContact CG1-CG2 4.46Å; V112-T116 PolarHBondContact O-N 3.15Å; V112-V123 HydrophobicContact CG1-CG1 4.28Å; V112-L127 HydrophobicContact CB-CD2 4.04Å; V112-L127 HydrophobicContact CG1-CD2 4.26Å; V112-L127 HydrophobicContact CG2-CD1 3.97Å; V112-L127 HydrophobicContact CG2-CD2 3.86Å; V112-F142 HydrophobicContact CB-CZ 4.16Å; V112-F142 HydrophobicContact CG1-CZ 3.88Å |
| 113 | F | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 177.3 | -171.5 | -99.3 | 0 | 0 | 0 | 112.5 | L109 E110 R115 T116 H117 W141 F142 R145 R146 F149 | L109-F113 PolarHBondContact O-N 2.89Å; E110-F113 WeakPolarHBondContact O-CA 3.47Å; E110-F113 WeakPolarHBondContact O-CB 3.42Å; E110-F113 PolarHBondContact O-N 3.05Å; F113-R115 PolarHBondContact O-N 3.06Å; F113-T116 WeakPolarHBondContact CA-O 3.35Å; F113-T116 CarbonylContact O-C 3.58Å; F113-T116 VanDerWaalsContact O-C 3.26Å; F113-T116 PolarHBondContact O-N 2.89Å; F113-H117 AromaticContact CD1-CD2 3.61Å; F113-H117 AromaticContact CD1-NE2 3.88Å; F113-H117 AromaticContact CD2-CD2 3.72Å; F113-H117 AromaticContact CE1-CD2 3.27Å; F113-H117 WeakPolarHBondContact CE1-CD2 3.34Å; F113-H117 AromaticContact CE1-NE2 3.37Å; F113-H117 WeakPolarHBondContact CE1-NE2 3.49Å; F113-H117 HydrophobicContact CE2-CB 3.99Å; F113-H117 AromaticContact CE2-CD2 3.39Å; F113-H117 WeakPolarHBondContact CE2-CD2 3.39Å; F113-H117 AromaticContact CE2-CG 3.92Å; F113-H117 AromaticContact CG-CD2 3.82Å; F113-H117 HydrophobicContact CZ-CB 4.36Å; F113-H117 AromaticContact CZ-CD2 3.14Å; F113-H117 WeakPolarHBondContact CZ-CD2 3.48Å; F113-H117 AromaticContact CZ-CG 3.83Å; F113-H117 AromaticContact CZ-NE2 3.6Å; F113-H117 PolarHBondContact O-CD2 3.28Å; F113-W141 HydrophobicContact CB-CH2 4.21Å; F113-W141 HydrophobicContact CB-CZ3 4.26Å; F113-W141 HydrophobicContact CD2-CZ3 4.37Å; F113-F142 HydrophobicContact CB-CE1 4.15Å; F113-F142 AromaticContact CD2-CD1 3.92Å; F113-F142 HydrophobicContact CD2-CD1 3.92Å; F113-F142 AromaticContact CD2-CE1 3.86Å; F113-F142 HydrophobicContact CD2-CE1 3.86Å; F113-R145 HydrophobicContact CD1-CG 4.01Å; F113-R145 HydrophobicContact CD2-CB 4.25Å; F113-R145 HydrophobicContact CD2-CG 3.54Å; F113-R145 HydrophobicContact CE1-CG 3.89Å; F113-R145 HydrophobicContact CE2-CB 4.03Å; F113-R145 HydrophobicContact CE2-CG 3.41Å; F113-R145 VanDerWaalsContact CE2-CG 3.41Å; F113-R145 HydrophobicContact CG-CG 3.85Å; F113-R145 HydrophobicContact CZ-CG 3.61Å; F113-R146 HydrophobicContact CE2-CG 4.08Å; F113-F149 HydrophobicContact CE1-CD2 4.31Å; F113-F149 HydrophobicContact CZ-CB 4.15Å; F113-F149 HydrophobicContact CZ-CD2 4.39Å; F113-F149 HydrophobicContact CZ-CG 4.34Å |
| 114 | E | 98.2 | Very high | 98.2 | Very high | 144 Ų | 144 | 72.1 Ų | 72.1 | 67% | 0.673 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.4 | 175.2 | -70.8 | 169.4 | 174.3 | 0 | 0 | 113.2 | E110 V112 | E110-E114 WeakPolarHBondContact O-CG 3.37Å; E110-E114 PolarHBondContact O-N 3.25Å; V112-E114 VanDerWaalsContact C-N 3.32Å; V112-E114 PolarHBondContact O-N 3.33Å |
| 115 | R | 97.8 | Very high | 98.2 | Very high | 189 Ų | 189 | 73.6 Ų | 73.6 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -42.9 | 176.6 | -65.8 | 174.7 | 171.3 | 93.5 | -3.4 | 111.6 | R111 V112 F113 | R111-R115 PolarHBondContact O-NH1 3.27Å; V112-R115 WeakPolarHBondContact O-CB 3.36Å; V112-R115 PolarHBondContact O-N 3.28Å; F113-R115 PolarHBondContact O-N 3.06Å |
| 116 | T | 98 | Very high | 98.2 | Very high | 56 Ų | 56 | 73.9 Ų | 73.9 | 34% | 0.344 | 35% | 0.347 | S | S | . | . | trans | -154.4 | 130.4 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | V112 F113 Y118 P119 | V112-T116 HydrophobicContact CG1-CG2 4.46Å; V112-T116 PolarHBondContact O-N 3.15Å; F113-T116 WeakPolarHBondContact CA-O 3.35Å; F113-T116 CarbonylContact O-C 3.58Å; F113-T116 VanDerWaalsContact O-C 3.26Å; F113-T116 PolarHBondContact O-N 2.89Å; T116-Y118 VanDerWaalsContact C-N 3.27Å; T116-Y118 PolarHBondContact O-N 3.33Å; T116-Y118 PolarHBondContact OG1-N 3.3Å; T116-Y118 PolarHBondContact OG1-O 3.02Å; T116-P119 HydrophobicContact CG2-CB 4.27Å | ||
| 117 | H | 98 | Very high | 98.2 | Very high | 62 Ų | 62 | 71 Ų | 71 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -77.6 | -14.7 | 173.6 | -57.4 | 147.6 | 0 | 0 | 0 | 113.2 | F113 P119 R146 F149 | F113-H117 AromaticContact CD1-CD2 3.61Å; F113-H117 AromaticContact CD1-NE2 3.88Å; F113-H117 AromaticContact CD2-CD2 3.72Å; F113-H117 AromaticContact CE1-CD2 3.27Å; F113-H117 WeakPolarHBondContact CE1-CD2 3.34Å; F113-H117 AromaticContact CE1-NE2 3.37Å; F113-H117 WeakPolarHBondContact CE1-NE2 3.49Å; F113-H117 HydrophobicContact CE2-CB 3.99Å; F113-H117 AromaticContact CE2-CD2 3.39Å; F113-H117 WeakPolarHBondContact CE2-CD2 3.39Å; F113-H117 AromaticContact CE2-CG 3.92Å; F113-H117 AromaticContact CG-CD2 3.82Å; F113-H117 HydrophobicContact CZ-CB 4.36Å; F113-H117 AromaticContact CZ-CD2 3.14Å; F113-H117 WeakPolarHBondContact CZ-CD2 3.48Å; F113-H117 AromaticContact CZ-CG 3.83Å; F113-H117 AromaticContact CZ-NE2 3.6Å; F113-H117 PolarHBondContact O-CD2 3.28Å; H117-P119 VanDerWaalsContact C-CD 3.5Å; H117-R146 HydrophobicContact CB-CG 4.38Å; H117-R146 WeakPolarHBondContact O-CD 3.38Å; H117-R146 PolarHBondContact O-NH1 2.86Å; H117-F149 AromaticContact CE1-CZ 3.97Å |
| 118 | Y | 98.4 | Very high | 98.2 | Very high | 161 Ų | 161 | 66 Ų | 66 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -128.1 | 68.7 | -175.4 | -62.9 | -88.8 | 0 | 0 | 0 | 110 | T116 R146 | T116-Y118 VanDerWaalsContact C-N 3.27Å; T116-Y118 PolarHBondContact O-N 3.33Å; T116-Y118 PolarHBondContact OG1-N 3.3Å; T116-Y118 PolarHBondContact OG1-O 3.02Å; Y118-R146 VanDerWaalsContact CE1-CD 3.44Å |
| 119 | P | 97.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | trans | -65.7 | 138.3 | 176.9 | 29.1 | -36.4 | 0 | 0 | 0 | 110.6 | T116 H117 V123 R124 F142 | T116-P119 HydrophobicContact CG2-CB 4.27Å; H117-P119 VanDerWaalsContact C-CD 3.5Å; P119-V123 HydrophobicContact CB-CB 4.07Å; P119-V123 HydrophobicContact CB-CG1 3.81Å; P119-R124 HydrophobicContact CB-CG 4.04Å; P119-R124 HydrophobicContact CG-CG 3.79Å; P119-R124 PolarHBondContact O-NH1 2.95Å; P119-F142 HydrophobicContact CG-CD1 3.73Å; P119-F142 HydrophobicContact CG-CD2 4.04Å; P119-F142 HydrophobicContact CG-CE1 3.62Å; P119-F142 HydrophobicContact CG-CE2 3.96Å; P119-F142 HydrophobicContact CG-CG 3.96Å; P119-F142 HydrophobicContact CG-CZ 3.76Å | ||
| 120 | D | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 81.6 Ų | 81.6 | 60% | 0.599 | 37% | 0.366 | S | S | * | . | trans | -67.8 | 165.4 | 175.2 | -169 | 18.8 | 0 | 0 | 0 | 112.1 | F122 V123 R124 | D120-F122 VanDerWaalsContact C-N 3.33Å; D120-F122 PolarHBondContact O-N 3.12Å; D120-V123 HydrophobicContact CB-CG2 4.45Å; D120-V123 PolarHBondContact O-N 3.48Å; D120-V123 VanDerWaalsContact O-N 3.12Å; D120-R124 WeakPolarHBondContact O-CG 3.37Å; D120-R124 PolarHBondContact O-N 3.25Å | ||
| 121 | A | 98 | Very high | 98.1 | Very high | 37 Ų | 37 | 79.8 Ų | 79.8 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -50.6 | -50.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V123 R124 E125 | A121-V123 VanDerWaalsContact C-N 3.34Å; A121-V123 PolarHBondContact O-N 3.35Å; A121-R124 PolarHBondContact O-N 2.89Å; A121-R124 VanDerWaalsContact O-N 3.14Å; A121-E125 WeakPolarHBondContact O-CG 3.27Å; A121-E125 PolarHBondContact O-N 3.28Å |
| 122 | F | 98.2 | Very high | 98.1 | Very high | 140 Ų | 140 | 80.7 Ų | 80.7 | 61% | 0.614 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | 178.6 | 179.4 | -98.9 | 0 | 0 | 0 | 112.7 | D120 R124 E125 D126 | D120-F122 VanDerWaalsContact C-N 3.33Å; D120-F122 PolarHBondContact O-N 3.12Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 2.88Å; F122-E125 PolarHBondContact O-N 3.3Å; F122-D126 PolarHBondContact O-N 2.92Å |
| 123 | V | 98.1 | Very high | 98.1 | Very high | 59 Ų | 59 | 80.9 Ų | 80.9 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | V112 P119 D120 A121 L127 | V112-V123 HydrophobicContact CG1-CG1 4.28Å; P119-V123 HydrophobicContact CB-CB 4.07Å; P119-V123 HydrophobicContact CB-CG1 3.81Å; D120-V123 HydrophobicContact CB-CG2 4.45Å; D120-V123 PolarHBondContact O-N 3.48Å; D120-V123 VanDerWaalsContact O-N 3.12Å; A121-V123 VanDerWaalsContact C-N 3.34Å; A121-V123 PolarHBondContact O-N 3.35Å; V123-L127 VanDerWaalsContact O-CB 3.31Å; V123-L127 WeakPolarHBondContact O-CB 3.14Å; V123-L127 PolarHBondContact O-N 2.78Å |
| 124 | R | 98.6 | Very high | 98 | Very high | 48 Ų | 48 | 84.8 Ų | 84.8 | 18% | 0.181 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.3 | -68.1 | -166.5 | -55.4 | -88.4 | 3.4 | 111.7 | P119 D120 A121 F122 L127 A128 E135 V138 | P119-R124 HydrophobicContact CB-CG 4.04Å; P119-R124 HydrophobicContact CG-CG 3.79Å; P119-R124 PolarHBondContact O-NH1 2.95Å; D120-R124 WeakPolarHBondContact O-CG 3.37Å; D120-R124 PolarHBondContact O-N 3.25Å; A121-R124 PolarHBondContact O-N 2.89Å; A121-R124 VanDerWaalsContact O-N 3.14Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 2.88Å; R124-L127 PolarHBondContact O-N 3.28Å; R124-A128 WeakPolarHBondContact O-CB 3.46Å; R124-A128 PolarHBondContact O-N 3.38Å; R124-E135 HydrophobicContact CB-CG 4.13Å; R124-E135 IonicContact CZ-OE1 3.95Å; R124-E135 IonicContact NE-OE1 2.81Å; R124-E135 PolarHBondContact NE-OE1 3.09Å; R124-E135 IonicContact NH2-OE1 3.06Å; R124-E135 PolarHBondContact NH2-OE1 2.88Å; R124-V138 HydrophobicContact CB-CG1 4.3Å; R124-V138 HydrophobicContact CG-CG1 4.31Å |
| 125 | E | 98.5 | Very high | 98 | Very high | 101 Ų | 101 | 80.6 Ų | 80.6 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.5 | -73 | 176.1 | -171.1 | 0 | 0 | 112.4 | A121 F122 A128 R129 E135 | A121-E125 WeakPolarHBondContact O-CG 3.27Å; A121-E125 PolarHBondContact O-N 3.28Å; F122-E125 PolarHBondContact O-N 3.3Å; E125-A128 PolarHBondContact O-N 3.04Å; E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 VanDerWaalsContact O-N 3.11Å; E125-E135 HydrophobicContact CG-CB 4.47Å; E125-E135 HydrophobicContact CG-CG 4.01Å |
| 126 | D | 98.3 | Very high | 98 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.9 | -169.2 | 64.5 | 0 | 0 | 0 | 112 | F122 R129 R130 | F122-D126 PolarHBondContact O-N 2.92Å; D126-R129 PolarHBondContact O-N 3.39Å; D126-R129 IonicContact OD1-CZ 3.55Å; D126-R129 IonicContact OD1-NH1 3.82Å; D126-R129 IonicContact OD1-NH2 2.7Å; D126-R129 PolarHBondContact OD1-NH2 3.05Å; D126-R130 WeakPolarHBondContact O-CG 3.45Å; D126-R130 PolarHBondContact O-N 2.68Å; D126-R130 VanDerWaalsContact O-N 3.09Å; D126-R130 IonicContact OD1-NE 2.87Å; D126-R130 IonicContact OD1-NH2 3.82Å; D126-R130 IonicContact OD2-CZ 3.2Å; D126-R130 IonicContact OD2-NE 2.59Å; D126-R130 PolarHBondContact OD2-NE 3.34Å; D126-R130 IonicContact OD2-NH2 2.83Å; D126-R130 PolarHBondContact OD2-NH2 3.1Å |
| 127 | L | 98.1 | Very high | 98 | Very high | 11 Ų | 11 | 74.2 Ų | 74.2 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.9 | -173.6 | 57.4 | 0 | 0 | 0 | 111.5 | A108 L109 V112 V123 R124 R129 R130 V131 V138 F142 | A108-L127 HydrophobicContact CB-CD1 4.49Å; L109-L127 HydrophobicContact CD2-CD2 3.75Å; L109-L127 HydrophobicContact CD2-CG 4.26Å; V112-L127 HydrophobicContact CB-CD2 4.04Å; V112-L127 HydrophobicContact CG1-CD2 4.26Å; V112-L127 HydrophobicContact CG2-CD1 3.97Å; V112-L127 HydrophobicContact CG2-CD2 3.86Å; V123-L127 VanDerWaalsContact O-CB 3.31Å; V123-L127 WeakPolarHBondContact O-CB 3.14Å; V123-L127 PolarHBondContact O-N 2.78Å; R124-L127 PolarHBondContact O-N 3.28Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 2.88Å; L127-R130 PolarHBondContact O-N 3.32Å; L127-R130 VanDerWaalsContact O-N 3.1Å; L127-V131 HydrophobicContact CD1-CG1 4.14Å; L127-V131 WeakPolarHBondContact O-CG2 3.45Å; L127-V131 PolarHBondContact O-N 2.76Å; L127-V138 HydrophobicContact CD2-CG1 4.18Å; L127-F142 HydrophobicContact CD2-CE2 3.9Å; L127-F142 HydrophobicContact CD2-CZ 4.28Å |
| 128 | A | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 71.3 Ų | 71.3 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.5 | -46.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R124 E125 V131 N132 L133 V138 | R124-A128 WeakPolarHBondContact O-CB 3.46Å; R124-A128 PolarHBondContact O-N 3.38Å; E125-A128 PolarHBondContact O-N 3.04Å; A128-V131 PolarHBondContact O-N 3.42Å; A128-N132 PolarHBondContact O-N 3.36Å; A128-N132 VanDerWaalsContact O-N 3.11Å; A128-L133 CarbonylContact C-O 3.26Å; A128-L133 WeakPolarHBondContact CB-O 3.38Å; A128-L133 PolarHBondContact O-N 3.34Å; A128-L133 VanDerWaalsContact O-O 3.13Å; A128-V138 HydrophobicContact CB-CG2 3.85Å |
| 129 | R | 98.1 | Very high | 98 | Very high | 158 Ų | 158 | 68.1 Ų | 68.1 | 60% | 0.596 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 174.7 | -72.6 | -177.2 | -70.3 | 123.3 | 2.5 | 112.1 | E125 D126 L127 V131 | E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 VanDerWaalsContact O-N 3.11Å; D126-R129 PolarHBondContact O-N 3.39Å; D126-R129 IonicContact OD1-CZ 3.55Å; D126-R129 IonicContact OD1-NH1 3.82Å; D126-R129 IonicContact OD1-NH2 2.7Å; D126-R129 PolarHBondContact OD1-NH2 3.05Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 2.88Å; R129-V131 PolarHBondContact O-N 3.5Å |
| 130 | R | 97.9 | Very high | 98 | Very high | 181 Ų | 181 | 70.7 Ų | 70.7 | 68% | 0.683 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.3 | -34.6 | -179 | -69.5 | 173.9 | -168.6 | -104.4 | 1.8 | 114 | D126 L127 | D126-R130 WeakPolarHBondContact O-CG 3.45Å; D126-R130 PolarHBondContact O-N 2.68Å; D126-R130 VanDerWaalsContact O-N 3.09Å; D126-R130 IonicContact OD1-NE 2.87Å; D126-R130 IonicContact OD1-NH2 3.82Å; D126-R130 IonicContact OD2-CZ 3.2Å; D126-R130 IonicContact OD2-NE 2.59Å; D126-R130 PolarHBondContact OD2-NE 3.34Å; D126-R130 IonicContact OD2-NH2 2.83Å; D126-R130 PolarHBondContact OD2-NH2 3.1Å; L127-R130 PolarHBondContact O-N 3.32Å; L127-R130 VanDerWaalsContact O-N 3.1Å |
| 131 | V | 97.4 | Very high | 98 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -102.8 | 8.1 | -175.9 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | Q105 A108 L127 A128 R129 L133 | Q105-V131 HydrophobicContact CB-CB 4.33Å; Q105-V131 HydrophobicContact CG-CB 4.17Å; Q105-V131 PolarHBondContact NE2-O 3.18Å; A108-V131 HydrophobicContact CB-CG1 3.56Å; L127-V131 HydrophobicContact CD1-CG1 4.14Å; L127-V131 WeakPolarHBondContact O-CG2 3.45Å; L127-V131 PolarHBondContact O-N 2.76Å; A128-V131 PolarHBondContact O-N 3.42Å; R129-V131 PolarHBondContact O-N 3.5Å; V131-L133 HydrophobicContact CG2-CB 4.08Å; V131-L133 HydrophobicContact CG2-CD1 3.58Å; V131-L133 HydrophobicContact CG2-CG 3.79Å |
| 132 | N | 98 | Very high | 98.1 | Very high | 144 Ų | 144 | 65 Ų | 65 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 49.3 | -178.7 | -59.3 | -38.5 | 0 | 0 | 0 | 113.3 | A128 | A128-N132 PolarHBondContact O-N 3.36Å; A128-N132 VanDerWaalsContact O-N 3.11Å |
| 133 | L | 96.9 | Very high | 98.1 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | trans | -125.1 | 165.6 | 174.2 | -65.2 | 174.7 | 0 | 0 | 0 | 110.1 | T99 F101 L109 A128 V131 R137 V138 | T99-L133 HydrophobicContact CG2-CD2 4.31Å; F101-L133 HydrophobicContact CD1-CD1 3.68Å; F101-L133 HydrophobicContact CD1-CD2 4.12Å; F101-L133 HydrophobicContact CE1-CD1 3.5Å; F101-L133 VanDerWaalsContact CE1-CD1 3.5Å; F101-L133 HydrophobicContact CE1-CD2 4.02Å; F101-L133 HydrophobicContact CE1-CG 4.42Å; L109-L133 HydrophobicContact CD1-CD1 4.38Å; A128-L133 CarbonylContact C-O 3.26Å; A128-L133 WeakPolarHBondContact CB-O 3.38Å; A128-L133 PolarHBondContact O-N 3.34Å; A128-L133 VanDerWaalsContact O-O 3.13Å; V131-L133 HydrophobicContact CG2-CB 4.08Å; V131-L133 HydrophobicContact CG2-CD1 3.58Å; V131-L133 HydrophobicContact CG2-CG 3.79Å; L133-R137 HydrophobicContact CB-CB 4.31Å; L133-V138 HydrophobicContact CB-CG2 4.33Å; L133-V138 HydrophobicContact CD1-CG2 4.47Å | ||
| 134 | T | 97.7 | Very high | 98.1 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | trans | -81.6 | 151.2 | 168.3 | 73.6 | 0 | 0 | 0 | 0 | 110.8 | A136 R137 V138 | T134-A136 PolarHBondContact O-N 3.48Å; T134-R137 WeakPolarHBondContact O-CA 3.5Å; T134-R137 WeakPolarHBondContact O-CB 3.5Å; T134-R137 PolarHBondContact O-N 2.89Å; T134-R137 WeakPolarHBondContact OG1-CG 3.5Å; T134-R137 PolarHBondContact OG1-N 3.02Å; T134-V138 PolarHBondContact O-N 3.39Å; T134-V138 VanDerWaalsContact O-N 3.17Å | ||
| 135 | E | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 66.3 Ų | 66.3 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -51.2 | -42.1 | 175 | -175.4 | -80.3 | 161.5 | 0 | 0 | 111 | R124 E125 R137 V138 Q139 | R124-E135 HydrophobicContact CB-CG 4.13Å; R124-E135 IonicContact CZ-OE1 3.95Å; R124-E135 IonicContact NE-OE1 2.81Å; R124-E135 PolarHBondContact NE-OE1 3.09Å; R124-E135 IonicContact NH2-OE1 3.06Å; R124-E135 PolarHBondContact NH2-OE1 2.88Å; E125-E135 HydrophobicContact CG-CB 4.47Å; E125-E135 HydrophobicContact CG-CG 4.01Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3.22Å; E135-V138 CarbonylContact O-C 3.58Å; E135-V138 WeakPolarHBondContact O-CA 3.46Å; E135-V138 WeakPolarHBondContact O-CB 3.36Å; E135-V138 PolarHBondContact O-N 2.99Å; E135-Q139 PolarHBondContact O-N 3.4Å |
| 136 | A | 97.5 | Very high | 98.1 | Very high | 44 Ų | 44 | 64 Ų | 64 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T134 V140 | T134-A136 PolarHBondContact O-N 3.48Å; A136-V140 WeakPolarHBondContact O-CB 3.35Å; A136-V140 VanDerWaalsContact O-CG2 3.26Å; A136-V140 WeakPolarHBondContact O-CG2 3.49Å; A136-V140 PolarHBondContact O-N 3.06Å |
| 137 | R | 97.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 25% | 0.253 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 174.9 | -65.1 | -69.7 | 97.2 | 154.3 | 6.6 | 110.9 | T99 L133 T134 E135 V140 W141 | T99-R137 WeakPolarHBondContact OG1-CD 3.42Å; T99-R137 PolarHBondContact OG1-NH1 3.43Å; L133-R137 HydrophobicContact CB-CB 4.31Å; T134-R137 WeakPolarHBondContact O-CA 3.5Å; T134-R137 WeakPolarHBondContact O-CB 3.5Å; T134-R137 PolarHBondContact O-N 2.89Å; T134-R137 WeakPolarHBondContact OG1-CG 3.5Å; T134-R137 PolarHBondContact OG1-N 3.02Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3.22Å; R137-V140 PolarHBondContact O-N 2.8Å; R137-W141 WeakPolarHBondContact O-CB 3.03Å; R137-W141 PolarHBondContact O-N 2.59Å |
| 138 | V | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 110 | L109 R124 L127 A128 L133 T134 E135 V140 W141 F142 | L109-V138 HydrophobicContact CD2-CG1 4.11Å; L109-V138 HydrophobicContact CD2-CG2 4.32Å; R124-V138 HydrophobicContact CB-CG1 4.3Å; R124-V138 HydrophobicContact CG-CG1 4.31Å; L127-V138 HydrophobicContact CD2-CG1 4.18Å; A128-V138 HydrophobicContact CB-CG2 3.85Å; L133-V138 HydrophobicContact CB-CG2 4.33Å; L133-V138 HydrophobicContact CD1-CG2 4.47Å; T134-V138 PolarHBondContact O-N 3.39Å; T134-V138 VanDerWaalsContact O-N 3.17Å; E135-V138 CarbonylContact O-C 3.58Å; E135-V138 WeakPolarHBondContact O-CA 3.46Å; E135-V138 WeakPolarHBondContact O-CB 3.36Å; E135-V138 PolarHBondContact O-N 2.99Å; V138-V140 PolarHBondContact O-N 2.81Å; V138-W141 WeakPolarHBondContact O-CB 3.27Å; V138-W141 PolarHBondContact O-N 3.29Å; V138-W141 VanDerWaalsContact O-N 3.14Å; V138-F142 HydrophobicContact CG1-CD2 3.67Å; V138-F142 HydrophobicContact CG1-CE2 3.72Å; V138-F142 WeakPolarHBondContact O-CD2 3.34Å; V138-F142 PolarHBondContact O-N 2.96Å |
| 139 | Q | 98.2 | Very high | 98 | Very high | 94 Ų | 94 | 72.3 Ų | 72.3 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.7 | -49.7 | 176 | 179.5 | 168.8 | -89.5 | 0 | 0 | 112.3 | E135 W141 F142 Q143 | E135-Q139 PolarHBondContact O-N 3.4Å; Q139-W141 VanDerWaalsContact C-N 3.33Å; Q139-W141 PolarHBondContact O-N 2.9Å; Q139-F142 PolarHBondContact O-N 2.98Å; Q139-Q143 PolarHBondContact O-N 3.25Å |
| 140 | V | 98.1 | Very high | 98 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | A136 R137 V138 Q143 N144 | A136-V140 WeakPolarHBondContact O-CB 3.35Å; A136-V140 VanDerWaalsContact O-CG2 3.26Å; A136-V140 WeakPolarHBondContact O-CG2 3.49Å; A136-V140 PolarHBondContact O-N 3.06Å; R137-V140 PolarHBondContact O-N 2.8Å; V138-V140 PolarHBondContact O-N 2.81Å; V140-Q143 PolarHBondContact O-N 2.8Å; V140-N144 PolarHBondContact O-N 2.97Å; V140-N144 PolarHBondContact O-ND2 2.7Å; V140-N144 VanDerWaalsContact O-ND2 3.14Å |
| 141 | W | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 71 Ų | 71 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 175.3 | -175.6 | 97.3 | 0 | 0 | 0 | 111.2 | F101 L109 F113 R137 V138 Q139 Q143 N144 R145 | F101-W141 AromaticContact CE2-CD1 3.68Å; F101-W141 HydrophobicContact CZ-CB 4.31Å; F101-W141 AromaticContact CZ-CD1 3.9Å; F101-W141 HydrophobicContact CZ-CG 4.49Å; L109-W141 HydrophobicContact CB-CD2 4.03Å; L109-W141 HydrophobicContact CB-CE3 3.98Å; L109-W141 HydrophobicContact CB-CH2 3.62Å; L109-W141 HydrophobicContact CB-CZ2 3.63Å; L109-W141 HydrophobicContact CB-CZ3 3.79Å; L109-W141 HydrophobicContact CD1-CD2 3.91Å; L109-W141 HydrophobicContact CD1-CG 3.96Å; L109-W141 HydrophobicContact CD1-CZ2 4.5Å; L109-W141 HydrophobicContact CD2-CD2 4.2Å; L109-W141 HydrophobicContact CD2-CE3 4.06Å; L109-W141 HydrophobicContact CG-CD2 4.28Å; L109-W141 HydrophobicContact CG-CE3 4.42Å; F113-W141 HydrophobicContact CB-CH2 4.21Å; F113-W141 HydrophobicContact CB-CZ3 4.26Å; F113-W141 HydrophobicContact CD2-CZ3 4.37Å; R137-W141 WeakPolarHBondContact O-CB 3.03Å; R137-W141 PolarHBondContact O-N 2.59Å; V138-W141 WeakPolarHBondContact O-CB 3.27Å; V138-W141 PolarHBondContact O-N 3.29Å; V138-W141 VanDerWaalsContact O-N 3.14Å; Q139-W141 VanDerWaalsContact C-N 3.33Å; Q139-W141 PolarHBondContact O-N 2.9Å; W141-Q143 VanDerWaalsContact C-N 3.33Å; W141-Q143 PolarHBondContact O-N 3Å; W141-N144 PolarHBondContact O-N 2.87Å; W141-R145 HydrophobicContact CD2-CB 4.48Å; W141-R145 HydrophobicContact CE3-CB 4.14Å; W141-R145 HydrophobicContact CH2-CB 4.06Å; W141-R145 HydrophobicContact CH2-CG 3.74Å; W141-R145 HydrophobicContact CZ2-CB 4.43Å; W141-R145 HydrophobicContact CZ2-CG 4.27Å; W141-R145 HydrophobicContact CZ3-CB 3.91Å; W141-R145 HydrophobicContact CZ3-CG 3.96Å; W141-R145 WeakPolarHBondContact O-CB 3.45Å; W141-R145 PolarHBondContact O-N 2.87Å |
| 142 | F | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 178.1 | -89.7 | -88.2 | 0 | 0 | 0 | 112 | L109 V112 F113 P119 L127 V138 Q139 R145 R146 | L109-F142 HydrophobicContact CD2-CE2 4.11Å; V112-F142 HydrophobicContact CB-CZ 4.16Å; V112-F142 HydrophobicContact CG1-CZ 3.88Å; F113-F142 HydrophobicContact CB-CE1 4.15Å; F113-F142 AromaticContact CD2-CD1 3.92Å; F113-F142 HydrophobicContact CD2-CD1 3.92Å; F113-F142 AromaticContact CD2-CE1 3.86Å; F113-F142 HydrophobicContact CD2-CE1 3.86Å; P119-F142 HydrophobicContact CG-CD1 3.73Å; P119-F142 HydrophobicContact CG-CD2 4.04Å; P119-F142 HydrophobicContact CG-CE1 3.62Å; P119-F142 HydrophobicContact CG-CE2 3.96Å; P119-F142 HydrophobicContact CG-CG 3.96Å; P119-F142 HydrophobicContact CG-CZ 3.76Å; L127-F142 HydrophobicContact CD2-CE2 3.9Å; L127-F142 HydrophobicContact CD2-CZ 4.28Å; V138-F142 HydrophobicContact CG1-CD2 3.67Å; V138-F142 HydrophobicContact CG1-CE2 3.72Å; V138-F142 WeakPolarHBondContact O-CD2 3.34Å; V138-F142 PolarHBondContact O-N 2.96Å; Q139-F142 PolarHBondContact O-N 2.98Å; F142-R145 PolarHBondContact O-N 3.21Å; F142-R146 WeakPolarHBondContact O-CB 3.38Å; F142-R146 WeakPolarHBondContact O-CG 3.33Å; F142-R146 PolarHBondContact O-N 3.12Å |
| 143 | Q | 98.5 | Very high | 97.5 | Very high | 117 Ų | 117 | 71.9 Ų | 71.9 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 174.4 | -173.9 | -177.4 | 75.2 | 0 | 0 | 111.6 | Q139 V140 W141 R146 A147 | Q139-Q143 PolarHBondContact O-N 3.25Å; V140-Q143 PolarHBondContact O-N 2.8Å; W141-Q143 VanDerWaalsContact C-N 3.33Å; W141-Q143 PolarHBondContact O-N 3Å; Q143-R146 PolarHBondContact O-N 2.92Å; Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 3.37Å |
| 144 | N | 98.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 79.7 Ų | 79.7 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.4 | -76.1 | -41.2 | 0 | 0 | 0 | 112.2 | V140 W141 A147 K148 | V140-N144 PolarHBondContact O-N 2.97Å; V140-N144 PolarHBondContact O-ND2 2.7Å; V140-N144 VanDerWaalsContact O-ND2 3.14Å; W141-N144 PolarHBondContact O-N 2.87Å; N144-A147 WeakPolarHBondContact O-CB 3.42Å; N144-A147 PolarHBondContact O-N 3.47Å; N144-K148 PolarHBondContact O-N 2.88Å |
| 145 | R | 98.5 | Very high | 96.9 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.6 | -173.1 | 68.7 | -175.2 | 103.9 | -3.3 | 111.1 | E110 F113 W141 F142 A147 K148 F149 | E110-R145 IonicContact OE1-CZ 3.3Å; E110-R145 VanDerWaalsContact OE1-CZ 3.3Å; E110-R145 IonicContact OE1-NE 3.51Å; E110-R145 PolarHBondContact OE1-NE 2.83Å; E110-R145 VanDerWaalsContact OE1-NE 3.1Å; E110-R145 IonicContact OE1-NH2 2.68Å; E110-R145 PolarHBondContact OE1-NH2 3.36Å; E110-R145 IonicContact OE2-CZ 3.72Å; E110-R145 IonicContact OE2-NE 3.1Å; E110-R145 PolarHBondContact OE2-NE 2.97Å; E110-R145 IonicContact OE2-NH2 3.74Å; F113-R145 HydrophobicContact CD1-CG 4.01Å; F113-R145 HydrophobicContact CD2-CB 4.25Å; F113-R145 HydrophobicContact CD2-CG 3.54Å; F113-R145 HydrophobicContact CE1-CG 3.89Å; F113-R145 HydrophobicContact CE2-CB 4.03Å; F113-R145 HydrophobicContact CE2-CG 3.41Å; F113-R145 VanDerWaalsContact CE2-CG 3.41Å; F113-R145 HydrophobicContact CG-CG 3.85Å; F113-R145 HydrophobicContact CZ-CG 3.61Å; W141-R145 HydrophobicContact CD2-CB 4.48Å; W141-R145 HydrophobicContact CE3-CB 4.14Å; W141-R145 HydrophobicContact CH2-CB 4.06Å; W141-R145 HydrophobicContact CH2-CG 3.74Å; W141-R145 HydrophobicContact CZ2-CB 4.43Å; W141-R145 HydrophobicContact CZ2-CG 4.27Å; W141-R145 HydrophobicContact CZ3-CB 3.91Å; W141-R145 HydrophobicContact CZ3-CG 3.96Å; W141-R145 WeakPolarHBondContact O-CB 3.45Å; W141-R145 PolarHBondContact O-N 2.87Å; F142-R145 PolarHBondContact O-N 3.21Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 2.79Å; R145-K148 PolarHBondContact O-N 3.14Å; R145-F149 WeakPolarHBondContact O-CB 3.31Å; R145-F149 PolarHBondContact O-N 2.86Å |
| 146 | R | 98.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 79.5 Ų | 79.5 | 19% | 0.192 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 172.5 | -74.1 | -164.2 | -60.3 | -88 | 1.1 | 112.2 | F113 H117 Y118 F142 Q143 F149 R150 | F113-R146 HydrophobicContact CE2-CG 4.08Å; H117-R146 HydrophobicContact CB-CG 4.38Å; H117-R146 WeakPolarHBondContact O-CD 3.38Å; H117-R146 PolarHBondContact O-NH1 2.86Å; Y118-R146 VanDerWaalsContact CE1-CD 3.44Å; F142-R146 WeakPolarHBondContact O-CB 3.38Å; F142-R146 WeakPolarHBondContact O-CG 3.33Å; F142-R146 PolarHBondContact O-N 3.12Å; Q143-R146 PolarHBondContact O-N 2.92Å; R146-F149 PolarHBondContact O-N 3.23Å; R146-R150 WeakPolarHBondContact O-CG 3.37Å; R146-R150 PolarHBondContact O-N 3.14Å |
| 147 | A | 98.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 82.5 Ų | 82.5 | 25% | 0.248 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q143 N144 R145 R151 | Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 3.37Å; N144-A147 WeakPolarHBondContact O-CB 3.42Å; N144-A147 PolarHBondContact O-N 3.47Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 2.79Å; A147-R151 WeakPolarHBondContact O-CB 3.45Å; A147-R151 PolarHBondContact O-N 3.44Å |
| 148 | K | 98 | Very high | 95.4 | Very high | 135 Ų | 135 | 82 Ų | 82 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 174.4 | -171.5 | -177.5 | 179.7 | -169.7 | 0 | 111.5 | N144 R145 R151 N152 | N144-K148 PolarHBondContact O-N 2.88Å; R145-K148 PolarHBondContact O-N 3.14Å; K148-R151 PolarHBondContact O-N 3.02Å; K148-N152 WeakPolarHBondContact O-CB 3.44Å; K148-N152 PolarHBondContact O-N 2.86Å |
| 149 | F | 97.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 87.5 Ų | 87.5 | 29% | 0.285 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.5 | -53.2 | 177.6 | -179.9 | -94.3 | 0 | 0 | 0 | 111.5 | F113 H117 R145 R146 R151 N152 E153 | F113-F149 HydrophobicContact CE1-CD2 4.31Å; F113-F149 HydrophobicContact CZ-CB 4.15Å; F113-F149 HydrophobicContact CZ-CD2 4.39Å; F113-F149 HydrophobicContact CZ-CG 4.34Å; H117-F149 AromaticContact CE1-CZ 3.97Å; R145-F149 WeakPolarHBondContact O-CB 3.31Å; R145-F149 PolarHBondContact O-N 2.86Å; R146-F149 PolarHBondContact O-N 3.23Å; F149-R151 VanDerWaalsContact C-N 3.32Å; F149-R151 PolarHBondContact O-N 3.41Å; F149-N152 WeakPolarHBondContact O-CB 3.26Å; F149-N152 PolarHBondContact O-N 3.01Å; F149-N152 VanDerWaalsContact O-N 3.15Å; F149-E153 HydrophobicContact CE1-CG 4.23Å; F149-E153 WeakPolarHBondContact CE1-OE1 3.5Å; F149-E153 WeakPolarHBondContact CE1-OE2 3.35Å; F149-E153 HydrophobicContact CZ-CG 4.34Å; F149-E153 WeakPolarHBondContact CZ-OE1 3.48Å; F149-E153 PolarHBondContact O-N 3.48Å |
| 150 | R | 96.9 | Very high | 94 | Very high | 135 Ų | 135 | 90 Ų | 90 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 176.7 | -67.1 | -165.8 | -54.1 | -84.4 | 2.7 | 113.2 | R146 R154 | R146-R150 WeakPolarHBondContact O-CG 3.37Å; R146-R150 PolarHBondContact O-N 3.14Å; R150-R154 PolarHBondContact O-N 3.45Å; R150-R154 VanDerWaalsContact O-N 3.15Å |
| 151 | R | 95.8 | Very high | 93.1 | Very high | 175 Ų | 175 | 91.8 Ų | 91.8 | 66% | 0.66 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 177.1 | -170.5 | -177.7 | -67.4 | 123.2 | -2.4 | 111.1 | A147 K148 F149 R154 A155 | A147-R151 WeakPolarHBondContact O-CB 3.45Å; A147-R151 PolarHBondContact O-N 3.44Å; K148-R151 PolarHBondContact O-N 3.02Å; F149-R151 VanDerWaalsContact C-N 3.32Å; F149-R151 PolarHBondContact O-N 3.41Å; R151-R154 PolarHBondContact O-N 2.98Å; R151-A155 WeakPolarHBondContact O-CB 3.35Å; R151-A155 PolarHBondContact O-N 2.75Å |
| 152 | N | 94.8 | Very high | 92.2 | Very high | 89 Ų | 89 | 93.3 Ų | 93.3 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 178.6 | -171.8 | 78 | 0 | 0 | 0 | 111.8 | K148 F149 R154 A155 M156 | K148-N152 WeakPolarHBondContact O-CB 3.44Å; K148-N152 PolarHBondContact O-N 2.86Å; F149-N152 WeakPolarHBondContact O-CB 3.26Å; F149-N152 PolarHBondContact O-N 3.01Å; F149-N152 VanDerWaalsContact O-N 3.15Å; N152-R154 VanDerWaalsContact C-N 3.35Å; N152-R154 PolarHBondContact O-N 3.3Å; N152-A155 PolarHBondContact O-N 3.46Å; N152-M156 WeakPolarHBondContact ND2-CE 3.26Å; N152-M156 WeakPolarHBondContact O-CG 3.44Å; N152-M156 PolarHBondContact O-N 3.12Å |
| 153 | E | 91.8 | Very high | 91 | Very high | 87 Ų | 87 | 96.6 Ų | 96.6 | 41% | 0.407 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.2 | -68.8 | -177.6 | 142.4 | 0 | 0 | 112.1 | F149 M156 L157 | F149-E153 HydrophobicContact CE1-CG 4.23Å; F149-E153 WeakPolarHBondContact CE1-OE1 3.5Å; F149-E153 WeakPolarHBondContact CE1-OE2 3.35Å; F149-E153 HydrophobicContact CZ-CG 4.34Å; F149-E153 WeakPolarHBondContact CZ-OE1 3.48Å; F149-E153 PolarHBondContact O-N 3.48Å; E153-M156 HydrophobicContact CG-CE 4.39Å; E153-M156 PolarHBondContact O-N 2.88Å; E153-L157 PolarHBondContact O-N 3.44Å; E153-L157 VanDerWaalsContact O-N 3.17Å |
| 154 | R | 91.7 | Very high | 89.8 | Confident | 194 Ų | 194 | 96.2 Ų | 96.2 | 73% | 0.732 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65 | -40 | 176.9 | -168.8 | 179.2 | -63.9 | 178 | -3 | 112.5 | R150 R151 N152 L157 A158 | R150-R154 PolarHBondContact O-N 3.45Å; R150-R154 VanDerWaalsContact O-N 3.15Å; R151-R154 PolarHBondContact O-N 2.98Å; N152-R154 VanDerWaalsContact C-N 3.35Å; N152-R154 PolarHBondContact O-N 3.3Å; R154-L157 PolarHBondContact O-N 3.48Å; R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 3.03Å |
| 155 | A | 91.3 | Very high | 88.6 | Confident | 43 Ų | 43 | 97.2 Ų | 97.2 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R151 N152 L157 A158 N159 | R151-A155 WeakPolarHBondContact O-CB 3.35Å; R151-A155 PolarHBondContact O-N 2.75Å; N152-A155 PolarHBondContact O-N 3.46Å; A155-L157 VanDerWaalsContact C-N 3.33Å; A155-L157 PolarHBondContact O-N 3.49Å; A155-A158 PolarHBondContact O-N 3.36Å; A155-N159 WeakPolarHBondContact O-CB 3.43Å; A155-N159 PolarHBondContact O-N 3.47Å; A155-N159 PolarHBondContact O-OD1 3.3Å |
| 156 | M | 87.7 | Confident | 87 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 175.1 | -71.3 | -171.4 | -65.9 | 0 | 0 | 112.3 | N152 E153 K160 | N152-M156 WeakPolarHBondContact ND2-CE 3.26Å; N152-M156 WeakPolarHBondContact O-CG 3.44Å; N152-M156 PolarHBondContact O-N 3.12Å; E153-M156 HydrophobicContact CG-CE 4.39Å; E153-M156 PolarHBondContact O-N 2.88Å; M156-K160 VanDerWaalsContact O-CG 3.26Å; M156-K160 WeakPolarHBondContact O-CG 3.21Å; M156-K160 PolarHBondContact O-N 3.4Å; M156-K160 VanDerWaalsContact O-N 3.12Å |
| 157 | L | 85.4 | Confident | 85.2 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68 | -42.2 | 174.2 | -67.3 | 172.3 | 0 | 0 | 0 | 112 | E153 R154 A155 K160 N161 | E153-L157 PolarHBondContact O-N 3.44Å; E153-L157 VanDerWaalsContact O-N 3.17Å; R154-L157 PolarHBondContact O-N 3.48Å; A155-L157 VanDerWaalsContact C-N 3.33Å; A155-L157 PolarHBondContact O-N 3.49Å; L157-K160 PolarHBondContact O-N 2.93Å; L157-N161 PolarHBondContact O-N 3.21Å; L157-N161 VanDerWaalsContact O-N 3.12Å; L157-N161 PolarHBondContact O-ND2 3.39Å |
| 158 | A | 88.2 | Confident | 83.3 | Confident | 56 Ų | 56 | 110.2 Ų | 110.2 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R154 A155 K160 N161 A162 | R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 3.03Å; A155-A158 PolarHBondContact O-N 3.36Å; A158-K160 PolarHBondContact O-N 3.36Å; A158-N161 PolarHBondContact O-N 3.27Å; A158-A162 WeakPolarHBondContact O-CB 3.4Å; A158-A162 PolarHBondContact O-N 2.91Å |
| 159 | N | 85.4 | Confident | 81.4 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.8 | -36.2 | 176.9 | -86.2 | 51.5 | 0 | 0 | 0 | 112.6 | A155 A162 S163 | A155-N159 WeakPolarHBondContact O-CB 3.43Å; A155-N159 PolarHBondContact O-N 3.47Å; A155-N159 PolarHBondContact O-OD1 3.3Å; N159-A162 PolarHBondContact O-N 3.2Å; N159-S163 VanDerWaalsContact O-CB 3.31Å; N159-S163 WeakPolarHBondContact O-CB 3.49Å; N159-S163 PolarHBondContact O-N 3.06Å |
| 160 | K | 81.1 | Confident | 79.5 | Confident | 148 Ų | 148 | 108.1 Ų | 108.1 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -44.4 | 173.9 | -75 | 173.4 | -178.9 | -173.3 | 0 | 111.6 | M156 L157 A158 S163 L164 | M156-K160 VanDerWaalsContact O-CG 3.26Å; M156-K160 WeakPolarHBondContact O-CG 3.21Å; M156-K160 PolarHBondContact O-N 3.4Å; M156-K160 VanDerWaalsContact O-N 3.12Å; L157-K160 PolarHBondContact O-N 2.93Å; A158-K160 PolarHBondContact O-N 3.36Å; K160-S163 PolarHBondContact O-N 2.93Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 PolarHBondContact O-N 3.14Å |
| 161 | N | 79.3 | Confident | 77.4 | Confident | 97 Ų | 97 | 108.9 Ų | 108.9 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.9 | -41.2 | 175.7 | -74.5 | -71.4 | 0 | 0 | 0 | 112 | L157 A158 L164 L165 | L157-N161 PolarHBondContact O-N 3.21Å; L157-N161 VanDerWaalsContact O-N 3.12Å; L157-N161 PolarHBondContact O-ND2 3.39Å; A158-N161 PolarHBondContact O-N 3.27Å; N161-L164 PolarHBondContact O-N 3.45Å; N161-L165 WeakPolarHBondContact O-CD1 3.34Å; N161-L165 PolarHBondContact O-N 3.46Å |
| 162 | A | 80.4 | Confident | 75.3 | Confident | 60 Ų | 60 | 104.4 Ų | 104.4 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A158 N159 K166 | A158-A162 WeakPolarHBondContact O-CB 3.4Å; A158-A162 PolarHBondContact O-N 2.91Å; N159-A162 PolarHBondContact O-N 3.2Å; A162-K166 VanDerWaalsContact O-CB 3.27Å; A162-K166 WeakPolarHBondContact O-CB 3.35Å; A162-K166 PolarHBondContact O-N 3.17Å |
| 163 | S | 74.5 | Confident | 73.1 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -39.5 | 174.8 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | N159 K160 K166 S167 | N159-S163 VanDerWaalsContact O-CB 3.31Å; N159-S163 WeakPolarHBondContact O-CB 3.49Å; N159-S163 PolarHBondContact O-N 3.06Å; K160-S163 PolarHBondContact O-N 2.93Å; S163-K166 WeakPolarHBondContact O-CB 3.38Å; S163-K166 PolarHBondContact O-N 2.8Å; S163-S167 WeakPolarHBondContact O-CB 3.5Å; S163-S167 PolarHBondContact O-N 2.97Å; S163-S167 PolarHBondContact O-OG 3.11Å |
| 164 | L | 73.4 | Confident | 71.2 | Confident | 108 Ų | 108 | 106.6 Ų | 106.6 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.8 | -46 | 178 | -158.9 | 174.1 | 0 | 0 | 0 | 110.7 | K160 N161 K166 S167 Y168 | K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 PolarHBondContact O-N 3.14Å; N161-L164 PolarHBondContact O-N 3.45Å; L164-K166 VanDerWaalsContact C-N 3.27Å; L164-K166 PolarHBondContact O-N 3.35Å; L164-S167 PolarHBondContact O-N 2.88Å; L164-Y168 PolarHBondContact O-N 2.83Å |
| 165 | L | 71.4 | Confident | 69.4 | Low | 120 Ų | 120 | 102.6 Ų | 102.6 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59 | -41.1 | 172 | -98.8 | 79.5 | 0 | 0 | 0 | 111.4 | N161 S167 Y168 S169 | N161-L165 WeakPolarHBondContact O-CD1 3.34Å; N161-L165 PolarHBondContact O-N 3.46Å; L165-S167 VanDerWaalsContact C-N 3.35Å; L165-S167 PolarHBondContact O-N 2.7Å; L165-Y168 PolarHBondContact O-N 3.39Å; L165-S169 PolarHBondContact O-N 3.09Å; L165-S169 PolarHBondContact O-OG 3.03Å |
| 166 | K | 65.9 | Low | 67.8 | Low | 165 Ų | 165 | 108.9 Ų | 108.9 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.7 | -39.1 | 177.9 | -165.8 | 74.8 | 177.1 | -179 | 0 | 112.1 | A162 S163 L164 G170 | A162-K166 VanDerWaalsContact O-CB 3.27Å; A162-K166 WeakPolarHBondContact O-CB 3.35Å; A162-K166 PolarHBondContact O-N 3.17Å; S163-K166 WeakPolarHBondContact O-CB 3.38Å; S163-K166 PolarHBondContact O-N 2.8Å; L164-K166 VanDerWaalsContact C-N 3.27Å; L164-K166 PolarHBondContact O-N 3.35Å; K166-G170 PolarHBondContact O-N 3.44Å |
| 167 | S | 61.4 | Low | 66.5 | Low | 76 Ų | 76 | 111.5 Ų | 111.5 | 53% | 0.531 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.1 | -37.3 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | S163 L164 L165 G170 | S163-S167 WeakPolarHBondContact O-CB 3.5Å; S163-S167 PolarHBondContact O-N 2.97Å; S163-S167 PolarHBondContact O-OG 3.11Å; L164-S167 PolarHBondContact O-N 2.88Å; L165-S167 VanDerWaalsContact C-N 3.35Å; L165-S167 PolarHBondContact O-N 2.7Å; S167-G170 PolarHBondContact O-N 3.48Å |
| 168 | Y | 56.9 | Low | 65.3 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.3 | -27.8 | 177.3 | -141.6 | -95.7 | 0 | 0 | 0 | 112.7 | L164 L165 G170 V172 | L164-Y168 PolarHBondContact O-N 2.83Å; L165-Y168 PolarHBondContact O-N 3.39Å; Y168-G170 VanDerWaalsContact C-N 3.29Å; Y168-V172 HydrophobicContact CD1-CG2 4.18Å; Y168-V172 HydrophobicContact CE1-CG2 4.09Å |
| 169 | S | 59.3 | Low | 64.2 | Low | 97 Ų | 97 | 115.6 Ų | 115.6 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76 | -11.7 | 171.4 | -66.2 | 0 | 0 | 0 | 0 | 114.1 | L165 | L165-S169 PolarHBondContact O-N 3.09Å; L165-S169 PolarHBondContact O-OG 3.03Å |
| 170 | G | 57.1 | Low | 63.4 | Low | 60 Ų | 60 | 116 Ų | 116 | 62% | 0.619 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.9 | -31.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K166 S167 Y168 | K166-G170 PolarHBondContact O-N 3.44Å; S167-G170 PolarHBondContact O-N 3.48Å; Y168-G170 VanDerWaalsContact C-N 3.29Å |
| 171 | D | 53.4 | Low | 62.8 | Low | 151 Ų | 151 | 114.2 Ų | 114.2 | 81% | 0.807 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -110.4 | -5.6 | -175 | -82.1 | -59.5 | 0 | 0 | 0 | 114.4 | T173 | D171-T173 PolarHBondContact O-N 3.38Å |
| 172 | V | 51.5 | Low | 62.3 | Low | 80 Ų | 80 | 120.6 Ų | 120.6 | 49% | 0.485 | 68% | 0.677 | S | S | . | * | trans | -98.8 | 85.3 | 169 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | Y168 A174 | Y168-V172 HydrophobicContact CD1-CG2 4.18Å; Y168-V172 HydrophobicContact CE1-CG2 4.09Å; V172-A174 PolarHBondContact O-N 3.1Å | ||
| 173 | T | 47.5 | Very low | 61.7 | Low | 120 Ų | 120 | 123.2 Ų | 123.2 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | -51.2 | 121.5 | 161.9 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | D171 V175 | D171-T173 PolarHBondContact O-N 3.38Å; T173-V175 PolarHBondContact O-N 3.13Å | ||
| 174 | A | 53.3 | Low | 61.2 | Low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | trans | 42.2 | 51.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | V172 | V172-A174 PolarHBondContact O-N 3.1Š| ||
| 175 | V | 52.5 | Low | 60.9 | Low | 110 Ų | 110 | 122.7 Ų | 122.7 | 67% | 0.667 | 70% | 0.698 | S | S | * | * | trans | -94.6 | 97.7 | 158.5 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | T173 Q177 | T173-V175 PolarHBondContact O-N 3.13Å; V175-Q177 PolarHBondContact O-N 3.35Å | ||
| 176 | E | 58.6 | Low | 60.6 | Low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -50.1 | 98.1 | 167 | -174.3 | -161.5 | 139.9 | 0 | 0 | 109.5 | ||||
| 177 | Q | 60.8 | Low | 60.4 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | trans | -75.8 | 122.6 | 161.7 | -75.7 | -94.9 | -23.6 | 0 | 0 | 106.4 | V175 I179 | V175-Q177 PolarHBondContact O-N 3.35Å; Q177-I179 WeakPolarHBondContact O-CD1 3.43Å; Q177-I179 PolarHBondContact O-N 3.46Å | ||
| 178 | P | 60.4 | Low | 60.5 | Low | 99 Ų | 99 | 125.4 Ų | 125.4 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -60.2 | 110.1 | 174.6 | 21.8 | -29.8 | 0 | 0 | 0 | 108.7 | V180 | P178-V180 PolarHBondContact O-N 2.9Š| ||
| 179 | I | 63.8 | Low | 60.6 | Low | 149 Ų | 149 | 123.2 Ų | 123.2 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | -60.6 | 105.2 | 169.2 | -91.2 | 73.7 | 0 | 0 | 0 | 106 | Q177 P181 | Q177-I179 WeakPolarHBondContact O-CD1 3.43Å; Q177-I179 PolarHBondContact O-N 3.46Å; I179-P181 WeakPolarHBondContact O-CD 3.36Å | ||
| 180 | V | 70 | Confident | 60.6 | Low | 125 Ų | 125 | 126.7 Ų | 126.7 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.3 | 164.5 | -172.2 | 0 | 0 | 0 | 0 | 106.2 | P178 R182 | P178-V180 PolarHBondContact O-N 2.9Å; V180-R182 PolarHBondContact O-N 3.44Å |
| 181 | P | 67.3 | Low | 60.8 | Low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 116.6 | 179.8 | -27 | 34.8 | 0 | 0 | 0 | 110.5 | I179 P183 | I179-P181 WeakPolarHBondContact O-CD 3.36Å; P181-P183 WeakPolarHBondContact O-CD 3.03Å |
| 182 | R | 69.4 | Low | 61 | Low | 231 Ų | 231 | 129 Ų | 129 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 126.1 | 171.1 | -167.7 | 178.7 | -146.1 | 176.4 | 6 | 107.6 | V180 A184 | V180-R182 PolarHBondContact O-N 3.44Å; R182-A184 PolarHBondContact O-N 2.99Å |
| 183 | P | 68 | Low | 61.3 | Low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 128.6 | 175.2 | -23.3 | 31.8 | 0 | 0 | 0 | 109.8 | P181 | P181-P183 WeakPolarHBondContact O-CD 3.03Š|
| 184 | A | 64.1 | Low | 61.4 | Low | 81 Ų | 81 | 134.2 Ų | 134.2 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 133.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R182 R186 | R182-A184 PolarHBondContact O-N 2.99Å; A184-R186 PolarHBondContact O-N 3.11Å |
| 185 | P | 65.5 | Low | 61.5 | Low | 87 Ų | 87 | 135.1 Ų | 135.1 | 57% | 0.565 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130.6 | 172.5 | -18.6 | 29.7 | 0 | 0 | 0 | 109.1 | ||
| 186 | R | 65.2 | Low | 61.3 | Low | 193 Ų | 193 | 134.5 Ų | 134.5 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 143.3 | 176.1 | -67.4 | -74.1 | 173.9 | 165.4 | -3.6 | 107.9 | A184 T188 D189 | A184-R186 PolarHBondContact O-N 3.11Å; R186-T188 PolarHBondContact O-N 2.82Å; R186-D189 PolarHBondContact O-N 3.47Å |
| 187 | P | 62.6 | Low | 60.8 | Low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -60.5 | -6 | -177.9 | 20.7 | -30.7 | 0 | 0 | 0 | 114.4 | D189 | P187-D189 VanDerWaalsContact C-N 3.34Š|
| 188 | T | 62.8 | Low | 60.6 | Low | 119 Ų | 119 | 130 Ų | 130 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -73 | -19.2 | 176.6 | -48.2 | 0 | 0 | 0 | 0 | 113.9 | R186 Y190 | R186-T188 PolarHBondContact O-N 2.82Å; T188-Y190 VanDerWaalsContact C-N 3.29Å; T188-Y190 PolarHBondContact O-N 3.48Å |
| 189 | D | 58.9 | Low | 59.7 | Low | 126 Ų | 126 | 136.5 Ų | 136.5 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -81.1 | -5.6 | -179.3 | -67.1 | -50.4 | 0 | 0 | 0 | 113.9 | R186 P187 | R186-D189 PolarHBondContact O-N 3.47Å; P187-D189 VanDerWaalsContact C-N 3.34Å |
| 190 | Y | 60.7 | Low | 59 | Low | 170 Ų | 170 | 141 Ų | 141 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -93.5 | -0.8 | -173.1 | -78.8 | -85.4 | 0 | 0 | 0 | 115.4 | T188 | T188-Y190 VanDerWaalsContact C-N 3.29Å; T188-Y190 PolarHBondContact O-N 3.48Å |
| 191 | L | 61.4 | Low | 57.9 | Low | 141 Ų | 141 | 140.6 Ų | 140.6 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -113.1 | 11.9 | -172 | -66.9 | 173.6 | 0 | 0 | 0 | 116 | ||||
| 192 | S | 57.4 | Low | 57.1 | Low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -106.5 | 42 | -176.1 | -150.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 193 | W | 57.2 | Low | 56.1 | Low | 229 Ų | 229 | 134.6 Ų | 134.6 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -120.6 | 88.1 | 160.2 | 72 | -75.2 | 0 | 0 | 0 | 108.1 | ||
| 194 | G | 50.2 | Low | 55.2 | Low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 109.3 | 24.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 195 | T | 53.9 | Low | 54.4 | Low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -126.4 | 126.9 | 165.8 | -38.5 | 0 | 0 | 0 | 0 | 111.2 | S197 | T195-S197 PolarHBondContact O-N 3.11Š|
| 196 | A | 48.3 | Very low | 53.5 | Low | 97 Ų | 97 | 146.2 Ų | 146.2 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 123.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 197 | S | 49.4 | Very low | 52.6 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 121 | 171.2 | -155.3 | 0 | 0 | 0 | 0 | 109.2 | T195 | T195-S197 PolarHBondContact O-N 3.11Š|
| 198 | P | 55.9 | Low | 51.8 | Low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 142.3 | 178.8 | 31 | -31 | 0 | 0 | 0 | 110.7 | R200 | P198-R200 PolarHBondContact O-N 2.97Š|
| 199 | Y | 42.6 | Very low | 51 | Low | 236 Ų | 236 | 145.7 Ų | 145.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -23.7 | 116.3 | 169.9 | -85.4 | -104.5 | 0 | 0 | 0 | 115.4 | ||||
| 200 | R | 48.2 | Very low | 50.4 | Low | 244 Ų | 244 | 148 Ų | 148 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -152.7 | 107 | 141.1 | -116.6 | 177.9 | -171 | -108 | 2.5 | 112.2 | P198 | P198-R200 PolarHBondContact O-N 2.97Š| ||
| 201 | S | 46.3 | Very low | 49.7 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -13.4 | 116 | 158.5 | -169.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 202 | S | 50.5 | Low | 49.1 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -162.2 | 92.1 | 154.1 | -68.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 203 | S | 49.4 | Very low | 49 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | 31 | 107.9 | 147.2 | 56.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 204 | L | 48.4 | Very low | 49 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | 71.8 | 151.5 | 146.6 | -65.3 | 160 | 0 | 0 | 0 | 118.8 | ||||
| 205 | P | 47.7 | Very low | 49.4 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | cis | -121.9 | 146.2 | 10.5 | 36 | -19.5 | 0 | 0 | 0 | 115.2 | ||||
| 206 | R | 47.6 | Very low | 49.2 | Very low | 240 Ų | 240 | 145.3 Ų | 145.3 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -103.4 | 106.8 | 178.7 | -172.7 | 176 | 174.7 | 147.5 | -2.4 | 109.6 | ||||
| 207 | C | 44.8 | Very low | 49.5 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -156.1 | 118.3 | 170.2 | -75.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 208 | C | 47 | Very low | 49.5 | Very low | 124 Ų | 124 | 156 Ų | 156 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | cis | -153.4 | 130.3 | 9.2 | -61.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 209 | L | 44.7 | Very low | 49.2 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | trans | -142.3 | 101.7 | 164.2 | -128.6 | 162.7 | 0 | 0 | 0 | 105.3 | E211 | L209-E211 HydrophobicContact CD2-CG 4.1Š| ||
| 210 | H | 47 | Very low | 49.5 | Very low | 174 Ų | 174 | 154 Ų | 154 | 81% | 0.806 | 84% | 0.835 | S | S | * | * | trans | -108.6 | 95.6 | 173.6 | -171.5 | 133.7 | 0 | 0 | 0 | 105.8 | ||||
| 211 | E | 45.1 | Very low | 49.6 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -110.1 | 106.9 | 157.4 | -75.4 | -79.6 | 106.5 | 0 | 0 | 104.6 | L209 L213 | L209-E211 HydrophobicContact CD2-CG 4.1Å; E211-L213 PolarHBondContact O-N 3.43Å | ||
| 212 | G | 50.1 | Low | 49.8 | Very low | 64 Ų | 64 | 150.7 Ų | 150.7 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | trans | -77.4 | 112.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 213 | L | 55.7 | Low | 49.8 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 137.8 | 172.3 | -103.1 | 142 | 0 | 0 | 0 | 111.3 | E211 N215 | E211-L213 PolarHBondContact O-N 3.43Å; L213-N215 PolarHBondContact O-N 2.88Å |
| 214 | H | 56.8 | Low | 49.8 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 120.2 | 167.6 | -155.9 | -132.3 | 0 | 0 | 0 | 111.8 | ||
| 215 | N | 58.2 | Low | 49.9 | Very low | 159 Ų | 159 | 156.3 Ų | 156.3 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 119.2 | 161.9 | -96.1 | -17.8 | 0 | 0 | 0 | 108.1 | L213 | L213-N215 PolarHBondContact O-N 2.88Š|
| 216 | G | 50 | Low | 50.1 | Low | 64 Ų | 64 | 159.2 Ų | 159.2 | 66% | 0.66 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 139.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 217 | F | 54.5 | Low | 50.4 | Low | 285 Ų | 285 | 151.8 Ų | 151.8 | 100% | 1.25 | 84% | 0.839 | S | S | * | * | trans | -126.8 | 0 | 146.4 | -122.1 | -83 | 0 | 0 | 0 | 106.3 |
Retrieved 217 of 217 residues in 225.6 ms
(Link to these results)