| 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 | 39.5 | Very low | 245 Ų | 245 | 142.3 Ų | 142.3 | 100% | 1.207 | 87% | 0.868 | S | S | * | * | 0 | 124.9 | 0 | -91 | 176.8 | 141.1 | 0 | 0 | 108.3 | |||||
| 2 | A | 39.7 | Very low | 39 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 84% | 0.835 | 87% | 0.868 | S | S | * | * | trans | 58.4 | 98.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3 | A | 36.1 | Very low | 38.9 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 86% | 0.856 | S | S | * | * | 59.3 | 92.3 | 61.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 4 | R | 36.3 | Very low | 38.9 | Very low | 230 Ų | 230 | 139 Ų | 139 | 87% | 0.868 | 86% | 0.859 | S | S | * | * | 84.5 | 105.9 | 93.9 | -81.8 | -165 | 176.4 | -175.8 | -1.1 | 112 | |||||
| 5 | L | 39.2 | Very low | 38.8 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 86% | 0.857 | S | S | * | * | 100.9 | 107.6 | 73.8 | -92.9 | 173.8 | 0 | 0 | 0 | 110.4 | |||||
| 6 | A | 42.4 | Very low | 39.3 | Very low | 99 Ų | 99 | 142 Ų | 142 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | trans | -74.4 | 139.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 7 | A | 37.3 | Very low | 39.8 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 87% | 0.866 | S | S | * | * | trans | -152.1 | 128.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | R | 39.8 | Very low | 40.7 | Very low | 257 Ų | 257 | 146.1 Ų | 146.1 | 97% | 0.97 | 86% | 0.857 | S | S | * | * | trans | -78.4 | 159.1 | 168.8 | -78 | 171.2 | 160.2 | 173.8 | -6 | 110.9 | ||||
| 9 | G | 31.9 | Very low | 40.7 | Very low | 77 Ų | 77 | 150.9 Ų | 150.9 | 79% | 0.794 | 86% | 0.86 | S | S | * | * | trans | 141.6 | 115.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 10 | G | 32 | Very low | 40.9 | Very low | 76 Ų | 76 | 151.1 Ų | 151.1 | 78% | 0.784 | 86% | 0.857 | S | S | * | * | trans | -85.5 | -148.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 11 | P | 61.9 | Low | 41.5 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | cis | -122 | -175.1 | -32.8 | 37.7 | -20.3 | 0 | 0 | 0 | 111.4 | ||||
| 12 | E | 34 | Very low | 42.1 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 87% | 0.869 | 84% | 0.839 | S | S | * | * | trans | 153.2 | 116.8 | 148.7 | -87.5 | -164.2 | 148.5 | 0 | 0 | 112.4 | ||||
| 13 | A | 37 | Very low | 42.5 | Very low | 87 Ų | 87 | 149.1 Ų | 149.1 | 72% | 0.719 | 84% | 0.838 | S | S | * | * | 82.2 | 101.6 | 101.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 14 | A | 40.1 | Very low | 43.2 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | 88 | 111.8 | 93.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 15 | G | 36.5 | Very low | 44.1 | Very low | 81 Ų | 81 | 147.5 Ų | 147.5 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | -162.1 | 98 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 16 | R | 47.8 | Very low | 44.7 | Very low | 245 Ų | 245 | 148 Ų | 148 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -65.2 | 143.4 | 177.3 | -72.1 | 172 | 163.5 | -154.8 | -3.6 | 112.5 | ||||
| 17 | R | 47.3 | Very low | 45.3 | Very low | 248 Ų | 248 | 151 Ų | 151 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | -155.8 | 134.3 | 127.2 | -73 | -154.7 | 168.5 | -174.3 | -5.5 | 112 | |||||
| 18 | P | 55.2 | Low | 46 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 71% | 0.708 | 84% | 0.84 | S | S | * | * | trans | -102.8 | 172.6 | 177.6 | 40.1 | -32 | 0 | 0 | 0 | 113 | ||||
| 19 | W | 41.4 | Very low | 46.4 | Very low | 239 Ų | 239 | 143.3 Ų | 143.3 | 91% | 0.905 | 83% | 0.826 | S | S | * | * | trans | 84.3 | 114.9 | -178.3 | -65.6 | 34.6 | 0 | 0 | 0 | 113 | ||||
| 20 | L | 44.5 | Very low | 47.2 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 80% | 0.801 | 83% | 0.826 | S | S | * | * | -144.8 | 125.5 | 57.2 | -78.8 | 147.4 | 0 | 0 | 0 | 111.9 | |||||
| 21 | L | 52.9 | Low | 48.1 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -65.4 | 123.9 | 153.7 | -71.1 | 158.8 | 0 | 0 | 0 | 107.9 | ||||
| 22 | L | 52 | Low | 47.4 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | 161.2 | 87.6 | 159.6 | -89.6 | 157.6 | 0 | 0 | 0 | 104.6 | ||||
| 23 | T | 47.2 | Very low | 48.1 | Very low | 135 Ų | 135 | 152 Ų | 152 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | -170.2 | 121.3 | 94.8 | 37.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 24 | P | 51.6 | Low | 48.5 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -121.6 | 73.7 | 161.1 | 36.4 | -22.1 | 0 | 0 | 0 | 108.8 | ||||
| 25 | L | 54.3 | Low | 49 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -166.9 | 34.4 | 169.6 | -146.7 | 75 | 0 | 0 | 0 | 117.2 | ||||
| 26 | L | 52.7 | Low | 50 | Low | 166 Ų | 166 | 154.8 Ų | 154.8 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -141.4 | 39.9 | 176.7 | -101.7 | 164.7 | 0 | 0 | 0 | 113.2 | ||
| 27 | L | 53.7 | Low | 50.6 | Low | 163 Ų | 163 | 144.4 Ų | 144.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -138.3 | 40.4 | 167.7 | -130.2 | 102.5 | 0 | 0 | 0 | 112.4 | ||
| 28 | A | 52.6 | Low | 52 | Low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | -141.1 | 72.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 29 | P | 47.4 | Very low | 53 | Low | 107 Ų | 107 | 130.8 Ų | 130.8 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | S | Bend | -147.2 | 76.4 | 115.5 | 36.4 | -17.8 | 0 | 0 | 0 | 110.7 | |||
| 30 | L | 49.9 | Very low | 54.8 | Low | 150 Ų | 150 | 127.5 Ų | 127.5 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -122.5 | 6.5 | 168.6 | -92.3 | 157.8 | 0 | 0 | 0 | 112.9 | ||
| 31 | L | 49.8 | Very low | 56.5 | Low | 175 Ų | 175 | 122.8 Ų | 122.8 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -120.5 | 8.8 | 178.4 | -74.7 | 169.8 | 0 | 0 | 0 | 114.1 | R33 | L31-R33 PolarHBondContact O-N 3.05Š|
| 32 | A | 47.3 | Very low | 58.2 | Low | 88 Ų | 88 | 115 Ų | 115 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -93.9 | 75.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | P34 | A32-P34 WeakPolarHBondContact O-CD 3.08Š| ||
| 33 | R | 48.3 | Very low | 60 | Low | 234 Ų | 234 | 108.6 Ų | 108.6 | 88% | 0.883 | 62% | 0.624 | S | S | * | * | trans | -65 | 122.2 | 153.4 | -79.4 | -175.9 | 171.1 | 178.6 | -3.6 | 105 | L31 A35 | L31-R33 PolarHBondContact O-N 3.05Å; R33-A35 PolarHBondContact O-N 3.26Å; R33-A35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | P | 46.7 | Very low | 62.1 | Low | 100 Ų | 100 | 102.5 Ų | 102.5 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | trans | -55.4 | 125.5 | 163.5 | 25.3 | -30.2 | 0 | 0 | 0 | 105.5 | A32 E36 | A32-P34 WeakPolarHBondContact O-CD 3.08Å; P34-E36 PolarHBondContact O-N 3.11Å | ||
| 35 | A | 50 | Low | 63.9 | Low | 86 Ų | 86 | 97.4 Ų | 97.4 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | trans | -65.2 | 81.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | R33 A37 | R33-A35 PolarHBondContact O-N 3.26Å; R33-A35 VanDerWaalsContact O-N 3.1Å; A35-A37 PolarHBondContact O-N 3.26Å | ||
| 36 | E | 56.6 | Low | 65.4 | Low | 150 Ų | 150 | 93.6 Ų | 93.6 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | trans | -65 | 91.4 | 159.6 | -74.3 | -175.5 | 177.6 | 0 | 0 | 104.6 | P34 L38 | P34-E36 PolarHBondContact O-N 3.11Å; E36-L38 PolarHBondContact O-N 2.98Å | ||
| 37 | A | 61.8 | Low | 67.1 | Low | 26 Ų | 26 | 92.9 Ų | 92.9 | 22% | 0.215 | 53% | 0.527 | C | S | . | . | trans | -59.3 | -7.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A35 P124 | A35-A37 PolarHBondContact O-N 3.26Å; A37-P124 HydrophobicContact CB-CB 3.56Å; A37-P124 HydrophobicContact CB-CG 4.07Å | ||
| 38 | L | 76.7 | Confident | 68.9 | Low | 38 Ų | 38 | 86.8 Ų | 86.8 | 20% | 0.199 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -101.8 | 118.2 | -172.9 | -68.7 | 170.1 | 0 | 0 | 0 | 109.8 | E36 G45 T46 M120 L121 | E36-L38 PolarHBondContact O-N 2.98Å; L38-G45 WeakPolarHBondContact CB-O 3.43Å; L38-T46 WeakPolarHBondContact CD1-O 3.43Å; L38-M120 HydrophobicContact CD2-CE 4.31Å; L38-L121 HydrophobicContact CD2-CD2 3.9Å |
| 39 | V | 76.5 | Confident | 70.9 | Confident | 33 Ų | 33 | 82.3 Ų | 82.3 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 122.8 | -177.3 | 176 | 0 | 0 | 0 | 0 | 110 | G41 L42 Y127 | V39-G41 PolarHBondContact O-N 3.29Å; V39-L42 HydrophobicContact CB-CB 4.02Å; V39-L42 HydrophobicContact CG1-CB 4.18Å; V39-L42 PolarHBondContact O-N 2.95Å; V39-L42 VanDerWaalsContact O-N 3.09Å; V39-Y127 HydrophobicContact CB-CE2 4.32Å; V39-Y127 HydrophobicContact CG1-CD2 4.4Å; V39-Y127 HydrophobicContact CG1-CE2 3.56Å; V39-Y127 HydrophobicContact CG2-CD2 3.72Å; V39-Y127 HydrophobicContact CG2-CE2 3.73Å |
| 40 | E | 78.8 | Confident | 73.1 | Confident | 171 Ų | 171 | 77.5 Ų | 77.5 | 80% | 0.799 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 126.2 | 173.4 | -167 | 175.8 | -174.6 | 0 | 0 | 110.7 | T46 | E40-T46 HydrophobicContact CB-CG2 4.33Š|
| 41 | G | 80.8 | Confident | 75.2 | Confident | 53 Ų | 53 | 77.3 Ų | 77.3 | 55% | 0.546 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -7.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V39 | V39-G41 PolarHBondContact O-N 3.29Š|
| 42 | L | 87.6 | Confident | 77.3 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -104.1 | 136.2 | 172.9 | -135.7 | 72.8 | 0 | 0 | 0 | 110.5 | V39 C44 G45 M120 H130 Y131 Y134 Y135 | V39-L42 HydrophobicContact CB-CB 4.02Å; V39-L42 HydrophobicContact CG1-CB 4.18Å; V39-L42 PolarHBondContact O-N 2.95Å; V39-L42 VanDerWaalsContact O-N 3.09Å; L42-C44 PolarHBondContact O-N 3.41Å; L42-C44 VanDerWaalsContact O-N 3.13Å; L42-G45 WeakPolarHBondContact O-CA 3.49Å; L42-G45 PolarHBondContact O-N 3.09Å; L42-M120 HydrophobicContact CD2-SD 3.88Å; L42-H130 HydrophobicContact CD2-CB 4.14Å; L42-Y131 HydrophobicContact CD1-CD2 4.22Å; L42-Y134 HydrophobicContact CD1-CD1 3.29Å; L42-Y134 HydrophobicContact CD1-CD2 4.34Å; L42-Y134 HydrophobicContact CD1-CE1 3.79Å; L42-Y134 HydrophobicContact CD1-CG 3.58Å; L42-Y134 HydrophobicContact CG-CD1 4.02Å; L42-Y134 HydrophobicContact CG-CD2 4.17Å; L42-Y134 HydrophobicContact CG-CE1 4.45Å; L42-Y134 HydrophobicContact CG-CG 3.83Å; L42-Y135 HydrophobicContact CD1-CE2 4.22Å |
| 43 | Y | 90.9 | Very high | 79.5 | Confident | 19 Ų | 19 | 66 Ų | 66 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | -118.5 | -179.6 | -53.3 | -79.6 | 0 | 0 | 0 | 112.5 | G45 T103 T107 Y117 M120 Y134 | Y43-G45 VanDerWaalsContact C-N 3.29Å; Y43-G45 PolarHBondContact O-N 3.5Å; Y43-T103 WeakPolarHBondContact O-CG2 3.08Å; Y43-T107 HydrophobicContact CD1-CG2 3.37Å; Y43-T107 HydrophobicContact CE1-CG2 3.91Å; Y43-T107 HydrophobicContact CG-CG2 4.21Å; Y43-Y117 AromaticContact CD1-CD2 3.86Å; Y43-Y117 HydrophobicContact CD1-CD2 3.86Å; Y43-Y117 AromaticContact CD2-CD2 3.71Å; Y43-Y117 HydrophobicContact CD2-CD2 3.71Å; Y43-Y117 HydrophobicContact CD2-CE2 4.14Å; Y43-Y117 HydrophobicContact CE1-CD2 4.23Å; Y43-Y117 HydrophobicContact CE2-CD2 4.12Å; Y43-Y117 AromaticContact CG-CD2 3.55Å; Y43-Y117 HydrophobicContact CG-CD2 3.55Å; Y43-Y117 AromaticContact CG-CE2 3.97Å; Y43-Y117 HydrophobicContact CG-CE2 3.97Å; Y43-M120 HydrophobicContact CD2-CE 3.79Å; Y43-M120 HydrophobicContact CD2-SD 3.53Å; Y43-M120 VanDerWaalsContact CD2-SD 3.53Å; Y43-M120 HydrophobicContact CE2-CE 4.14Å; Y43-M120 HydrophobicContact CE2-SD 3.45Å; Y43-M120 WeakPolarHBondContact CE2-SD 3.49Å; Y43-Y134 AromaticContact CD1-CD2 3.93Å; Y43-Y134 HydrophobicContact CD1-CD2 3.93Å; Y43-Y134 HydrophobicContact CD1-CE2 4.13Å; Y43-Y134 HydrophobicContact CD2-CD2 4.4Å; Y43-Y134 AromaticContact CE1-CD2 3.82Å; Y43-Y134 HydrophobicContact CE1-CD2 3.82Å; Y43-Y134 HydrophobicContact CE1-CE2 4.45Å; Y43-Y134 HydrophobicContact CE2-CD2 4.26Å; Y43-Y134 HydrophobicContact CG-CD2 4.25Å; Y43-Y134 HydrophobicContact CG-CE2 4.37Å; Y43-Y134 AromaticContact CZ-CD2 3.99Å |
| 44 | C | 91.1 | Very high | 81.6 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 15.2 | 179.1 | -59.2 | 0 | 0 | 0 | 0 | 114.3 | L42 T46 R47 C49 L100 A104 | L42-C44 PolarHBondContact O-N 3.41Å; L42-C44 VanDerWaalsContact O-N 3.13Å; C44-T46 PolarHBondContact O-N 3.01Å; C44-R47 WeakPolarHBondContact CB-O 3.19Å; C44-R47 PolarHBondContact O-N 3.43Å; C44-C49 HydrophobicContact CB-CB 4.16Å; C44-C49 WeakPolarHBondContact CB-SG 3.44Å; C44-C49 WeakPolarHBondContact SG-CA 3.47Å; C44-C49 WeakPolarHBondContact SG-CB 3.3Å; C44-C49 CovalentContact SG-SG 2.04Å; C44-C49 PolarHBondContact SG-SG 2.86Å; C44-L100 HydrophobicContact CB-CD1 4.01Å; C44-L100 WeakPolarHBondContact O-CD1 3.26Å; C44-A104 WeakPolarHBondContact SG-CA 3.46Å; C44-A104 VanDerWaalsContact SG-CB 3.5Å |
| 45 | G | 88.3 | Confident | 83.9 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -128.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L38 L42 Y43 R47 | L38-G45 WeakPolarHBondContact CB-O 3.43Å; L42-G45 WeakPolarHBondContact O-CA 3.49Å; L42-G45 PolarHBondContact O-N 3.09Å; Y43-G45 VanDerWaalsContact C-N 3.29Å; Y43-G45 PolarHBondContact O-N 3.5Å; G45-R47 PolarHBondContact O-N 2.81Å |
| 46 | T | 86.1 | Confident | 86 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 4.7 | -178.3 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | L38 E40 C44 | L38-T46 WeakPolarHBondContact CD1-O 3.43Å; E40-T46 HydrophobicContact CB-CG2 4.33Å; C44-T46 PolarHBondContact O-N 3.01Å |
| 47 | R | 88.2 | Confident | 87.7 | Confident | 151 Ų | 151 | 51.5 Ų | 51.5 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -117.9 | 144.2 | 179.3 | -54.9 | -173.8 | 85.6 | 177.9 | 7.1 | 110.7 | C44 G45 C49 V52 | C44-R47 WeakPolarHBondContact CB-O 3.19Å; C44-R47 PolarHBondContact O-N 3.43Å; G45-R47 PolarHBondContact O-N 2.81Å; R47-C49 PolarHBondContact O-N 3.26Å; R47-V52 HydrophobicContact CB-CG2 3.96Å |
| 48 | D | 91.8 | Very high | 89.1 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | trans | -69.5 | 129.9 | 174.1 | -175.3 | -18.7 | 0 | 0 | 0 | 110.2 | Y50 E51 V52 Y117 | D48-Y50 PolarHBondContact O-N 3.16Å; D48-Y50 WeakPolarHBondContact OD1-CB 3.39Å; D48-Y50 VanDerWaalsContact OD1-CD2 3.32Å; D48-Y50 WeakPolarHBondContact OD1-CD2 3.3Å; D48-Y50 PolarHBondContact OD1-N 3Å; D48-E51 HydrophobicContact CB-CB 4.1Å; D48-E51 HydrophobicContact CB-CG 3.85Å; D48-E51 PolarHBondContact O-N 3.01Å; D48-V52 VanDerWaalsContact O-CG2 3.31Å; D48-V52 WeakPolarHBondContact O-CG2 3.47Å; D48-V52 PolarHBondContact O-N 3.43Å; D48-Y117 WeakPolarHBondContact CA-OH 3.05Å; D48-Y117 PolarHBondContact OD1-OH 3.43Å | ||
| 49 | C | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -31 | 177.8 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | C44 R47 L53 A104 L108 Y117 | C44-C49 HydrophobicContact CB-CB 4.16Å; C44-C49 WeakPolarHBondContact CB-SG 3.44Å; C44-C49 WeakPolarHBondContact SG-CA 3.47Å; C44-C49 WeakPolarHBondContact SG-CB 3.3Å; C44-C49 CovalentContact SG-SG 2.04Å; C44-C49 PolarHBondContact SG-SG 2.86Å; R47-C49 PolarHBondContact O-N 3.26Å; C49-L53 PolarHBondContact O-N 3.08Å; C49-A104 HydrophobicContact CB-CB 3.92Å; C49-L108 HydrophobicContact CB-CD1 3.95Å; C49-L108 HydrophobicContact CB-CD2 4.45Å; C49-L108 HydrophobicContact CB-CG 4.09Å; C49-Y117 HydrophobicContact CB-CD1 4.5Å; C49-Y117 HydrophobicContact CB-CE1 3.72Å; C49-Y117 PolarHBondContact N-OH 3.02Å; C49-Y117 VanDerWaalsContact SG-CZ 3.58Å |
| 50 | Y | 95.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 174.3 | -69 | -70.3 | 0 | 0 | 0 | 111.1 | D48 L53 G54 V55 R57 L108 R114 Y117 D118 L121 | D48-Y50 PolarHBondContact O-N 3.16Å; D48-Y50 WeakPolarHBondContact OD1-CB 3.39Å; D48-Y50 VanDerWaalsContact OD1-CD2 3.32Å; D48-Y50 WeakPolarHBondContact OD1-CD2 3.3Å; D48-Y50 PolarHBondContact OD1-N 3Å; Y50-L53 CarbonylContact O-C 3.42Å; Y50-L53 PolarHBondContact O-N 3.31Å; Y50-G54 PolarHBondContact O-N 3.35Å; Y50-V55 WeakPolarHBondContact CB-O 3.4Å; Y50-V55 HydrophobicContact CD1-CG2 4.15Å; Y50-V55 PolarHBondContact O-N 3Å; Y50-R57 HydrophobicContact CD2-CB 4.44Å; Y50-R57 HydrophobicContact CE1-CB 4.41Å; Y50-R57 HydrophobicContact CE1-CG 4.46Å; Y50-R57 HydrophobicContact CE2-CB 4.21Å; Y50-R57 HydrophobicContact CE2-CG 3.86Å; Y50-L108 HydrophobicContact CD1-CD1 3.64Å; Y50-L108 HydrophobicContact CD1-CD2 4.15Å; Y50-L108 HydrophobicContact CD2-CD2 4.42Å; Y50-L108 HydrophobicContact CE1-CD1 3.83Å; Y50-L108 HydrophobicContact CE1-CD2 3.57Å; Y50-L108 HydrophobicContact CE1-CG 4.3Å; Y50-L108 HydrophobicContact CE2-CD2 3.9Å; Y50-L108 HydrophobicContact CG-CD1 4.12Å; Y50-L108 VanDerWaalsContact CZ-CD2 3.44Å; Y50-R114 WeakPolarHBondContact OH-CG 3.47Å; Y50-R114 PolarHBondContact OH-NE 3.22Å; Y50-Y117 AromaticContact CD2-CE1 4Å; Y50-Y117 HydrophobicContact CD2-CE1 4Å; Y50-Y117 HydrophobicContact CE2-CD1 4.02Å; Y50-Y117 AromaticContact CE2-CE1 3.93Å; Y50-Y117 HydrophobicContact CE2-CE1 3.93Å; Y50-D118 WeakPolarHBondContact CE2-OD1 3.49Å; Y50-D118 PolarHBondContact OH-OD1 2.91Å; Y50-D118 PolarHBondContact OH-OD2 3.33Å; Y50-L121 HydrophobicContact CD2-CD1 4.29Å; Y50-L121 HydrophobicContact CE2-CD1 4.17Å |
| 51 | E | 93.3 | Very high | 91.5 | Very high | 145 Ų | 145 | 51.9 Ų | 51.9 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.2 | -40.5 | 175.8 | -68 | -176.1 | 168.8 | 0 | 0 | 112.1 | D48 L53 G54 | D48-E51 HydrophobicContact CB-CB 4.1Å; D48-E51 HydrophobicContact CB-CG 3.85Å; D48-E51 PolarHBondContact O-N 3.01Å; E51-L53 PolarHBondContact O-N 3.25Å; E51-G54 PolarHBondContact O-N 3.24Å |
| 52 | V | 92.8 | Very high | 92.2 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58 | -39.4 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | R47 D48 L71 L100 V101 A104 | R47-V52 HydrophobicContact CB-CG2 3.96Å; D48-V52 VanDerWaalsContact O-CG2 3.31Å; D48-V52 WeakPolarHBondContact O-CG2 3.47Å; D48-V52 PolarHBondContact O-N 3.43Å; V52-L71 WeakPolarHBondContact O-CD1 3.49Å; V52-L100 HydrophobicContact CG1-CD2 4.38Å; V52-L100 HydrophobicContact CG1-CG 4Å; V52-L100 HydrophobicContact CG2-CD1 4.49Å; V52-L100 HydrophobicContact CG2-CD2 3.88Å; V52-L100 HydrophobicContact CG2-CG 4Å; V52-V101 HydrophobicContact CG1-CG2 4.04Å; V52-A104 HydrophobicContact CB-CB 3.99Å; V52-A104 HydrophobicContact CG1-CB 3.67Å |
| 53 | L | 93.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -86 | -12.1 | 176.1 | -67 | -174.7 | 0 | 0 | 0 | 113.9 | C49 Y50 E51 V55 I64 A67 L71 V101 A104 L108 | C49-L53 PolarHBondContact O-N 3.08Å; Y50-L53 CarbonylContact O-C 3.42Å; Y50-L53 PolarHBondContact O-N 3.31Å; E51-L53 PolarHBondContact O-N 3.25Å; L53-V55 HydrophobicContact CB-CG1 4.42Å; L53-V55 HydrophobicContact CB-CG2 3.88Å; L53-I64 HydrophobicContact CD1-CG2 3.88Å; L53-A67 WeakPolarHBondContact O-CB 3.47Å; L53-L71 HydrophobicContact CD2-CD1 4.14Å; L53-V101 HydrophobicContact CD2-CG1 4.04Å; L53-A104 HydrophobicContact CD1-CB 4.33Å; L53-A104 HydrophobicContact CD2-CB 4.18Å; L53-A104 HydrophobicContact CG-CB 3.85Å; L53-L108 HydrophobicContact CD1-CD1 3.96Å |
| 54 | G | 92.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 35.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y50 E51 | Y50-G54 PolarHBondContact O-N 3.35Å; E51-G54 PolarHBondContact O-N 3.24Å |
| 55 | V | 95.3 | Very high | 92.9 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | trans | -123.1 | 155.2 | -178.8 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | Y50 L53 A59 I64 A67 | Y50-V55 WeakPolarHBondContact CB-O 3.4Å; Y50-V55 HydrophobicContact CD1-CG2 4.15Å; Y50-V55 PolarHBondContact O-N 3Å; L53-V55 HydrophobicContact CB-CG1 4.42Å; L53-V55 HydrophobicContact CB-CG2 3.88Å; V55-A59 HydrophobicContact CB-CB 3.89Å; V55-A59 HydrophobicContact CG2-CB 4.32Å; V55-I64 HydrophobicContact CG2-CG1 4.15Å; V55-A67 HydrophobicContact CG1-CB 3.48Å; V55-A67 VanDerWaalsContact CG1-CB 3.48Å | ||
| 56 | S | 94.4 | Very high | 93.3 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | trans | -78 | 159.2 | 177 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | S58 A59 | S56-S58 PolarHBondContact O-N 2.9Å; S56-S58 VanDerWaalsContact O-N 3.14Å; S56-S58 PolarHBondContact OG-OG 3.02Å; S56-A59 WeakPolarHBondContact O-CB 3.4Å; S56-A59 PolarHBondContact O-N 3.36Å; S56-A59 PolarHBondContact OG-N 3.41Å | ||
| 57 | R | 92.2 | Very high | 93.7 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.3 | 170.3 | -170.4 | 169.9 | -178.9 | -160.5 | -7.7 | 113.3 | Y50 R114 D118 D122 | Y50-R57 HydrophobicContact CD2-CB 4.44Å; Y50-R57 HydrophobicContact CE1-CB 4.41Å; Y50-R57 HydrophobicContact CE1-CG 4.46Å; Y50-R57 HydrophobicContact CE2-CB 4.21Å; Y50-R57 HydrophobicContact CE2-CG 3.86Å; R57-R114 PolarHBondContact O-NH2 3.27Å; R57-D118 IonicContact CZ-OD1 2.96Å; R57-D118 IonicContact NE-OD1 3.45Å; R57-D118 PolarHBondContact NE-OD1 3.08Å; R57-D118 IonicContact NE-OD2 3.76Å; R57-D118 VanDerWaalsContact NH2-CB 3.33Å; R57-D118 PolarHBondContact NH2-O 3.16Å; R57-D118 IonicContact NH2-OD1 3.81Å; R57-D122 IonicContact CZ-OD1 3.12Å; R57-D122 IonicContact CZ-OD2 2.76Å; R57-D122 IonicContact NH1-OD1 2.72Å; R57-D122 PolarHBondContact NH1-OD1 2.93Å; R57-D122 IonicContact NH1-OD2 2.73Å; R57-D122 VanDerWaalsContact NH2-CG 3.32Å; R57-D122 IonicContact NH2-OD1 3.83Å; R57-D122 PolarHBondContact NH2-OD1 3.25Å; R57-D122 IonicContact NH2-OD2 3.29Å; R57-D122 PolarHBondContact NH2-OD2 3.35Å |
| 58 | S | 92.4 | Very high | 94 | Very high | 106 Ų | 106 | 56.8 Ų | 56.8 | 74% | 0.741 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.5 | 173.5 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | S56 | S56-S58 PolarHBondContact O-N 2.9Å; S56-S58 VanDerWaalsContact O-N 3.14Å; S56-S58 PolarHBondContact OG-OG 3.02Å |
| 59 | A | 93.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | trans | -63.7 | 139.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V55 S56 E63 I64 R114 | V55-A59 HydrophobicContact CB-CB 3.89Å; V55-A59 HydrophobicContact CG2-CB 4.32Å; S56-A59 WeakPolarHBondContact O-CB 3.4Å; S56-A59 PolarHBondContact O-N 3.36Å; S56-A59 PolarHBondContact OG-N 3.41Å; A59-E63 WeakPolarHBondContact CA-OE2 3.28Å; A59-E63 HydrophobicContact CB-CB 4.27Å; A59-I64 HydrophobicContact CB-CD1 4.45Å; A59-I64 HydrophobicContact CB-CG1 4.04Å; A59-R114 PolarHBondContact O-NH1 3.06Å; A59-R114 PolarHBondContact O-NH2 3.44Å | ||
| 60 | S | 94.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 67.7 Ų | 67.7 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | trans | -72 | 158.6 | 176.5 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | A62 E63 I64 | S60-A62 PolarHBondContact O-N 3.45Å; S60-A62 VanDerWaalsContact O-N 3.11Å; S60-E63 PolarHBondContact N-OE2 3.45Å; S60-E63 PolarHBondContact O-N 2.94Å; S60-E63 VanDerWaalsContact O-N 3.07Å; S60-E63 WeakPolarHBondContact OG-CG 3.43Å; S60-E63 PolarHBondContact OG-N 3.2Å; S60-E63 PolarHBondContact OG-OE2 3.31Å; S60-E63 VanDerWaalsContact OG-OE2 3.1Å; S60-I64 WeakPolarHBondContact O-CG1 3.3Å; S60-I64 PolarHBondContact O-N 3.29Å | ||
| 61 | K | 93.9 | Very high | 94 | Very high | 113 Ų | 113 | 68.8 Ų | 68.8 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.3 | -32.9 | 174.7 | -67.4 | -179.5 | -178 | 172.1 | 0 | 112 | A65 E111 | K61-A65 WeakPolarHBondContact O-CB 3.38Å; K61-A65 PolarHBondContact O-N 3.33Å; K61-E111 IonicContact NZ-OE2 3.98Å; K61-E111 PolarHBondContact NZ-OE2 2.98Å |
| 62 | A | 94.4 | Very high | 93.8 | Very high | 71 Ų | 71 | 62.5 Ų | 62.5 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.9 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S60 A65 R66 | S60-A62 PolarHBondContact O-N 3.45Å; S60-A62 VanDerWaalsContact O-N 3.11Å; A62-A65 PolarHBondContact O-N 2.97Å; A62-R66 WeakPolarHBondContact O-CB 3.35Å; A62-R66 PolarHBondContact O-N 2.91Å |
| 63 | E | 94.7 | Very high | 93.6 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 176.9 | -73.2 | 164.1 | 158.7 | 0 | 0 | 111.4 | A59 S60 A65 R66 A67 | A59-E63 WeakPolarHBondContact CA-OE2 3.28Å; A59-E63 HydrophobicContact CB-CB 4.27Å; S60-E63 PolarHBondContact N-OE2 3.45Å; S60-E63 PolarHBondContact O-N 2.94Å; S60-E63 VanDerWaalsContact O-N 3.07Å; S60-E63 WeakPolarHBondContact OG-CG 3.43Å; S60-E63 PolarHBondContact OG-N 3.2Å; S60-E63 PolarHBondContact OG-OE2 3.31Å; S60-E63 VanDerWaalsContact OG-OE2 3.1Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.43Å; E63-R66 WeakPolarHBondContact O-CB 3.32Å; E63-R66 PolarHBondContact O-N 3.39Å; E63-R66 VanDerWaalsContact O-N 3.13Å; E63-A67 WeakPolarHBondContact O-CB 3.33Å; E63-A67 PolarHBondContact O-N 2.82Å |
| 64 | I | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 175.1 | -66.5 | 166.3 | 0 | 0 | 0 | 110.4 | L53 V55 A59 S60 R66 A67 Y68 Y105 L108 | L53-I64 HydrophobicContact CD1-CG2 3.88Å; V55-I64 HydrophobicContact CG2-CG1 4.15Å; A59-I64 HydrophobicContact CB-CD1 4.45Å; A59-I64 HydrophobicContact CB-CG1 4.04Å; S60-I64 WeakPolarHBondContact O-CG1 3.3Å; S60-I64 PolarHBondContact O-N 3.29Å; I64-R66 VanDerWaalsContact C-N 3.34Å; I64-R66 PolarHBondContact O-N 2.92Å; I64-A67 PolarHBondContact O-N 3.2Å; I64-Y68 WeakPolarHBondContact O-CB 3.21Å; I64-Y68 PolarHBondContact O-N 3.1Å; I64-Y105 HydrophobicContact CG2-CD2 3.9Å; I64-Y105 HydrophobicContact CG2-CE2 4.21Å; I64-L108 HydrophobicContact CD1-CB 4.39Å; I64-L108 HydrophobicContact CG2-CB 4.17Å |
| 65 | A | 95 | Very high | 93 | Very high | 10 Ų | 10 | 75.2 Ų | 75.2 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K61 A62 E63 R69 Y105 | K61-A65 WeakPolarHBondContact O-CB 3.38Å; K61-A65 PolarHBondContact O-N 3.33Å; A62-A65 PolarHBondContact O-N 2.97Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.43Å; A65-R69 VanDerWaalsContact O-CG 3.24Å; A65-R69 WeakPolarHBondContact O-CG 3.43Å; A65-R69 PolarHBondContact O-N 2.91Å; A65-R69 VanDerWaalsContact O-N 3.13Å; A65-Y105 HydrophobicContact CB-CE2 4.16Å |
| 66 | R | 95.7 | Very high | 92.5 | Very high | 184 Ų | 184 | 77.8 Ų | 77.8 | 69% | 0.694 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.7 | -47.5 | 176.2 | -177.5 | -179.8 | 177.3 | -179.2 | -0.3 | 111.3 | A62 E63 I64 R69 Q70 | A62-R66 WeakPolarHBondContact O-CB 3.35Å; A62-R66 PolarHBondContact O-N 2.91Å; E63-R66 WeakPolarHBondContact O-CB 3.32Å; E63-R66 PolarHBondContact O-N 3.39Å; E63-R66 VanDerWaalsContact O-N 3.13Å; I64-R66 VanDerWaalsContact C-N 3.34Å; I64-R66 PolarHBondContact O-N 2.92Å; R66-R69 PolarHBondContact O-N 2.9Å; R66-Q70 PolarHBondContact O-N 3Å; R66-Q70 VanDerWaalsContact O-N 3.15Å |
| 67 | A | 95.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 77.5 Ų | 77.5 | 12% | 0.116 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L53 V55 E63 I64 R69 Q70 L71 | L53-A67 WeakPolarHBondContact O-CB 3.47Å; V55-A67 HydrophobicContact CG1-CB 3.48Å; V55-A67 VanDerWaalsContact CG1-CB 3.48Å; E63-A67 WeakPolarHBondContact O-CB 3.33Å; E63-A67 PolarHBondContact O-N 2.82Å; I64-A67 PolarHBondContact O-N 3.2Å; A67-R69 PolarHBondContact O-N 2.96Å; A67-Q70 PolarHBondContact O-N 3.43Å; A67-Q70 VanDerWaalsContact O-N 3.16Å; A67-L71 WeakPolarHBondContact O-CG 3.39Å; A67-L71 PolarHBondContact O-N 2.74Å |
| 68 | Y | 95.5 | Very high | 91.4 | Very high | 53 Ų | 53 | 79.2 Ų | 79.2 | 21% | 0.208 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.1 | -50 | 174 | 169.9 | -108.3 | 0 | 0 | 0 | 112.2 | I64 Q70 L71 A72 V101 Y105 | I64-Y68 WeakPolarHBondContact O-CB 3.21Å; I64-Y68 PolarHBondContact O-N 3.1Å; Y68-Q70 VanDerWaalsContact C-N 3.26Å; Y68-Q70 PolarHBondContact O-N 3.06Å; Y68-L71 PolarHBondContact O-N 3.46Å; Y68-A72 HydrophobicContact CD2-CB 4.42Å; Y68-A72 HydrophobicContact CE1-CB 4.46Å; Y68-A72 HydrophobicContact CE2-CB 4.06Å; Y68-A72 WeakPolarHBondContact O-CB 3.16Å; Y68-A72 PolarHBondContact O-N 2.97Å; Y68-V101 HydrophobicContact CD2-CG1 3.78Å; Y68-V101 HydrophobicContact CE2-CG1 4.1Å; Y68-Y105 AromaticContact CD1-CD1 3.63Å; Y68-Y105 HydrophobicContact CD1-CD1 3.63Å; Y68-Y105 HydrophobicContact CD1-CD2 4.06Å; Y68-Y105 AromaticContact CD1-CE1 3.76Å; Y68-Y105 HydrophobicContact CD1-CE1 3.76Å; Y68-Y105 HydrophobicContact CD1-CE2 4.2Å; Y68-Y105 AromaticContact CD1-CG 3.77Å; Y68-Y105 HydrophobicContact CD1-CG 3.77Å; Y68-Y105 AromaticContact CD2-CD1 3.96Å; Y68-Y105 HydrophobicContact CD2-CD1 3.96Å; Y68-Y105 HydrophobicContact CD2-CD2 4.3Å; Y68-Y105 AromaticContact CD2-CG 3.62Å; Y68-Y105 HydrophobicContact CD2-CG 3.62Å; Y68-Y105 AromaticContact CE1-CD1 3.73Å; Y68-Y105 HydrophobicContact CE1-CD1 3.73Å; Y68-Y105 AromaticContact CE1-CE1 3.87Å; Y68-Y105 HydrophobicContact CE1-CE1 3.87Å; Y68-Y105 HydrophobicContact CE1-CG 4.27Å; Y68-Y105 HydrophobicContact CE2-CD1 4.05Å; Y68-Y105 HydrophobicContact CE2-CG 4.13Å; Y68-Y105 AromaticContact CG-CD1 3.75Å; Y68-Y105 HydrophobicContact CG-CD1 3.75Å; Y68-Y105 AromaticContact CG-CD2 3.69Å; Y68-Y105 HydrophobicContact CG-CD2 3.69Å; Y68-Y105 HydrophobicContact CG-CE1 4.28Å; Y68-Y105 HydrophobicContact CG-CE2 4.26Å; Y68-Y105 AromaticContact CG-CG 3.4Å; Y68-Y105 HydrophobicContact CG-CG 3.4Å; Y68-Y105 VanDerWaalsContact CG-CG 3.4Å; Y68-Y105 AromaticContact CZ-CD1 3.92Å |
| 69 | R | 94.2 | Very high | 90.5 | Very high | 140 Ų | 140 | 81.7 Ų | 81.7 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.1 | -35.3 | 179.9 | -72.9 | 176.3 | -161.8 | 122.9 | -3.7 | 112.7 | A65 R66 A67 R73 | A65-R69 VanDerWaalsContact O-CG 3.24Å; A65-R69 WeakPolarHBondContact O-CG 3.43Å; A65-R69 PolarHBondContact O-N 2.91Å; A65-R69 VanDerWaalsContact O-N 3.13Å; R66-R69 PolarHBondContact O-N 2.9Å; A67-R69 PolarHBondContact O-N 2.96Å; R69-R73 WeakPolarHBondContact O-CG 3.37Å; R69-R73 VanDerWaalsContact O-CZ 3.28Å; R69-R73 PolarHBondContact O-N 3.34Å; R69-R73 PolarHBondContact O-NH1 3.08Å |
| 70 | Q | 93.5 | Very high | 89.3 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70 | -46.9 | 177.8 | -176.5 | 176.4 | 5.4 | 0 | 0 | 111.6 | R66 A67 Y68 R74 | R66-Q70 PolarHBondContact O-N 3Å; R66-Q70 VanDerWaalsContact O-N 3.15Å; A67-Q70 PolarHBondContact O-N 3.43Å; A67-Q70 VanDerWaalsContact O-N 3.16Å; Y68-Q70 VanDerWaalsContact C-N 3.26Å; Y68-Q70 PolarHBondContact O-N 3.06Å; Q70-R74 PolarHBondContact O-N 2.87Å |
| 71 | L | 91.7 | Very high | 87.8 | Confident | 30 Ų | 30 | 94.7 Ų | 94.7 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.7 | -39.7 | 179.8 | -65.5 | 174.3 | 0 | 0 | 0 | 112.2 | V52 L53 A67 Y68 R73 R74 Y75 V101 | V52-L71 WeakPolarHBondContact O-CD1 3.49Å; L53-L71 HydrophobicContact CD2-CD1 4.14Å; A67-L71 WeakPolarHBondContact O-CG 3.39Å; A67-L71 PolarHBondContact O-N 2.74Å; Y68-L71 PolarHBondContact O-N 3.46Å; L71-R73 VanDerWaalsContact C-N 3.34Å; L71-R73 PolarHBondContact O-N 3.33Å; L71-R74 CarbonylContact O-C 3.59Å; L71-R74 WeakPolarHBondContact O-CA 3.24Å; L71-R74 WeakPolarHBondContact O-CB 3.38Å; L71-R74 PolarHBondContact O-N 3.2Å; L71-Y75 HydrophobicContact CB-CD2 4.39Å; L71-Y75 HydrophobicContact CD2-CE2 4.07Å; L71-Y75 VanDerWaalsContact O-CD2 3.31Å; L71-Y75 WeakPolarHBondContact O-CD2 3.43Å; L71-Y75 PolarHBondContact O-N 3.38Å; L71-V101 HydrophobicContact CB-CG1 3.78Å; L71-V101 HydrophobicContact CB-CG2 4.21Å; L71-V101 HydrophobicContact CD1-CG2 4.43Å |
| 72 | A | 90.1 | Very high | 86.3 | Confident | 13 Ų | 13 | 93.5 Ų | 93.5 | 11% | 0.107 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y68 R74 H76 F98 | Y68-A72 HydrophobicContact CD2-CB 4.42Å; Y68-A72 HydrophobicContact CE1-CB 4.46Å; Y68-A72 HydrophobicContact CE2-CB 4.06Å; Y68-A72 WeakPolarHBondContact O-CB 3.16Å; Y68-A72 PolarHBondContact O-N 2.97Å; A72-R74 VanDerWaalsContact C-N 3.3Å; A72-R74 PolarHBondContact O-N 3.16Å; A72-H76 WeakPolarHBondContact O-CA 3.43Å; A72-H76 WeakPolarHBondContact O-CB 3.46Å; A72-H76 PolarHBondContact O-N 3.2Å; A72-F98 HydrophobicContact CB-CE2 4.01Å |
| 73 | R | 88.8 | Confident | 84.7 | Confident | 152 Ų | 152 | 97.3 Ų | 97.3 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.7 | -33.2 | 171.5 | -76.9 | -169.4 | -59.1 | -87.6 | -0.9 | 112.5 | R69 L71 R79 | R69-R73 WeakPolarHBondContact O-CG 3.37Å; R69-R73 VanDerWaalsContact O-CZ 3.28Å; R69-R73 PolarHBondContact O-N 3.34Å; R69-R73 PolarHBondContact O-NH1 3.08Å; L71-R73 VanDerWaalsContact C-N 3.34Å; L71-R73 PolarHBondContact O-N 3.33Å; R73-R79 WeakPolarHBondContact O-CD 3.47Å; R73-R79 PolarHBondContact O-NH1 3.14Å |
| 74 | R | 86.6 | Confident | 82.6 | Confident | 141 Ų | 141 | 99.2 Ų | 99.2 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.8 | -46.9 | 179.2 | -173.7 | 176.4 | -178.7 | 174.2 | -0.5 | 111.3 | Q70 L71 A72 Y80 | Q70-R74 PolarHBondContact O-N 2.87Å; L71-R74 CarbonylContact O-C 3.59Å; L71-R74 WeakPolarHBondContact O-CA 3.24Å; L71-R74 WeakPolarHBondContact O-CB 3.38Å; L71-R74 PolarHBondContact O-N 3.2Å; A72-R74 VanDerWaalsContact C-N 3.3Å; A72-R74 PolarHBondContact O-N 3.16Å; R74-Y80 WeakPolarHBondContact O-CE2 3.48Å; R74-Y80 PolarHBondContact O-OH 2.99Å |
| 75 | Y | 86.8 | Confident | 80.8 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -98.1 | 8.5 | -174 | -64.1 | -68.5 | 0 | 0 | 0 | 114 | L71 A97 V101 | L71-Y75 HydrophobicContact CB-CD2 4.39Å; L71-Y75 HydrophobicContact CD2-CE2 4.07Å; L71-Y75 VanDerWaalsContact O-CD2 3.31Å; L71-Y75 WeakPolarHBondContact O-CD2 3.43Å; L71-Y75 PolarHBondContact O-N 3.38Å; Y75-A97 HydrophobicContact CD1-CB 3.84Å; Y75-A97 HydrophobicContact CE1-CB 4.18Å; Y75-A97 HydrophobicContact CG-CB 4.12Å; Y75-V101 HydrophobicContact CD2-CG2 4.27Å |
| 76 | H | 84.7 | Confident | 79 | Confident | 80 Ų | 80 | 106.8 Ų | 106.8 | 37% | 0.37 | 51% | 0.505 | S | S | . | . | trans | -56.7 | 129.8 | -179 | -164.5 | -92.4 | 0 | 0 | 0 | 111.1 | A72 D78 R79 | A72-H76 WeakPolarHBondContact O-CA 3.43Å; A72-H76 WeakPolarHBondContact O-CB 3.46Å; A72-H76 PolarHBondContact O-N 3.2Å; H76-D78 VanDerWaalsContact CE1-CB 3.41Å; H76-D78 WeakPolarHBondContact CE1-CB 3.38Å; H76-D78 WeakPolarHBondContact ND1-CB 3.41Å; H76-D78 PolarHBondContact ND1-N 2.74Å; H76-D78 PolarHBondContact O-N 3.34Å; H76-R79 HydrophobicContact CB-CG 4.44Å; H76-R79 WeakPolarHBondContact O-CB 3.33Å; H76-R79 PolarHBondContact O-N 2.98Å | ||
| 77 | P | 81.4 | Confident | 76.9 | Confident | 59 Ų | 59 | 100.2 Ų | 100.2 | 38% | 0.383 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.2 | -175.3 | 23.3 | -33.8 | 0 | 0 | 0 | 112.9 | R79 Y80 | P77-R79 PolarHBondContact O-N 3.11Å; P77-R79 VanDerWaalsContact O-N 3.15Å; P77-Y80 CarbonylContact O-C 3.58Å; P77-Y80 PolarHBondContact O-N 3.35Å |
| 78 | D | 81 | Confident | 74.8 | Confident | 141 Ų | 141 | 106.9 Ų | 106.9 | 75% | 0.754 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -62.3 | -20.6 | 175.7 | -162.8 | 39.2 | 0 | 0 | 0 | 113.8 | H76 | H76-D78 VanDerWaalsContact CE1-CB 3.41Å; H76-D78 WeakPolarHBondContact CE1-CB 3.38Å; H76-D78 WeakPolarHBondContact ND1-CB 3.41Å; H76-D78 PolarHBondContact ND1-N 2.74Å; H76-D78 PolarHBondContact O-N 3.34Å |
| 79 | R | 74.4 | Confident | 72.7 | Confident | 159 Ų | 159 | 108 Ų | 108 | 60% | 0.6 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -84.6 | -15 | 175.7 | -66.1 | -176.8 | 68.5 | -174.7 | -2.1 | 113.4 | R73 H76 P77 | R73-R79 WeakPolarHBondContact O-CD 3.47Å; R73-R79 PolarHBondContact O-NH1 3.14Å; H76-R79 HydrophobicContact CB-CG 4.44Å; H76-R79 WeakPolarHBondContact O-CB 3.33Å; H76-R79 PolarHBondContact O-N 2.98Å; P77-R79 PolarHBondContact O-N 3.11Å; P77-R79 VanDerWaalsContact O-N 3.15Å |
| 80 | Y | 69.1 | Low | 70.5 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -127.1 | 86.7 | -177 | -60.8 | -80.3 | 0 | 0 | 0 | 107.9 | R74 P77 S94 | R74-Y80 WeakPolarHBondContact O-CE2 3.48Å; R74-Y80 PolarHBondContact O-OH 2.99Å; P77-Y80 CarbonylContact O-C 3.58Å; P77-Y80 PolarHBondContact O-N 3.35Å; Y80-S94 WeakPolarHBondContact CB-OG 3.34Å; Y80-S94 VanDerWaalsContact CD2-CB 3.48Å |
| 81 | R | 62.8 | Low | 68.6 | Low | 232 Ų | 232 | 100.5 Ų | 100.5 | 88% | 0.875 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 129.8 | 175.9 | -146.5 | 176.3 | -154.4 | 161.6 | 6 | 108.2 | E83 | R81-E83 PolarHBondContact O-N 3.33Š|
| 82 | P | 61.4 | Low | 67 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.1 | 175.6 | 23.3 | -31.3 | 0 | 0 | 0 | 109.7 | ||
| 83 | E | 60.4 | Low | 65.9 | Low | 152 Ų | 152 | 105.4 Ų | 105.4 | 71% | 0.71 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 151 | 176.1 | -70.7 | -163.1 | 172.3 | 0 | 0 | 109.9 | R81 G85 D86 | R81-E83 PolarHBondContact O-N 3.33Å; E83-G85 PolarHBondContact O-N 2.94Å; E83-D86 PolarHBondContact N-OD2 3Å; E83-D86 PolarHBondContact O-N 3.45Å |
| 84 | P | 50.5 | Low | 65 | Low | 145 Ų | 145 | 98.7 Ų | 98.7 | 94% | 0.942 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 83.7 | 176.8 | 9 | 4.8 | 0 | 0 | 0 | 109.1 | ||
| 85 | G | 57.3 | Low | 64.6 | Low | 72 Ų | 72 | 93 Ų | 93 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.7 | -22.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E83 G87 | E83-G85 PolarHBondContact O-N 2.94Å; G85-G87 PolarHBondContact O-N 3.27Å |
| 86 | D | 58.3 | Low | 64.4 | Low | 98 Ų | 98 | 95.8 Ų | 95.8 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -70.4 | 110.4 | 169.7 | -61.3 | -37.9 | 0 | 0 | 0 | 108.6 | E83 | E83-D86 PolarHBondContact N-OD2 3Å; E83-D86 PolarHBondContact O-N 3.45Å |
| 87 | G | 52.1 | Low | 64.5 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 47% | 0.474 | 56% | 0.559 | S | S | . | * | trans | -56.6 | 167.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G85 G89 G90 | G85-G87 PolarHBondContact O-N 3.27Å; G87-G89 PolarHBondContact O-N 2.85Å; G87-G90 PolarHBondContact O-N 3.19Å | ||
| 88 | P | 49.3 | Very low | 64.8 | Low | 155 Ų | 155 | 92.7 Ų | 92.7 | 100% | 1.006 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 25 | -167.2 | 30.3 | -35.4 | 0 | 0 | 0 | 115.6 | ||
| 89 | G | 52.9 | Low | 65.3 | Low | 77 Ų | 77 | 91.4 Ų | 91.4 | 79% | 0.794 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.2 | 5.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G87 | G87-G89 PolarHBondContact O-N 2.85Š|
| 90 | G | 47.6 | Very low | 66.1 | Low | 53 Ų | 53 | 86 Ų | 86 | 55% | 0.546 | 53% | 0.526 | S | S | . | . | trans | -92 | 107.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G87 | G87-G90 PolarHBondContact O-N 3.19Š| ||
| 91 | A | 52.3 | Low | 67.3 | Low | 51 Ų | 51 | 81.5 Ų | 81.5 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | trans | -60.6 | 135.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | A95 E96 | A91-A95 HydrophobicContact CB-CB 4.29Å; A91-E96 HydrophobicContact CB-CG 4.25Å | ||
| 92 | P | 59 | Low | 68.7 | Low | 34 Ų | 34 | 71.1 Ų | 71.1 | 22% | 0.221 | 47% | 0.473 | C | S | . | . | trans | -59.8 | 145.3 | 176 | 23.7 | -31.4 | 0 | 0 | 0 | 108.7 | S94 A95 | P92-S94 PolarHBondContact O-N 3.45Å; P92-A95 HydrophobicContact CG-CB 3.94Å; P92-A95 WeakPolarHBondContact O-CB 3.34Å; P92-A95 PolarHBondContact O-N 3.34Å | ||
| 93 | P | 66.7 | Low | 70.3 | Confident | 113 Ų | 113 | 69 Ų | 69 | 73% | 0.734 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -52.6 | -23.1 | -179.8 | -27.8 | 33.7 | 0 | 0 | 0 | 114 | A97 | P93-A97 WeakPolarHBondContact O-CB 3.44Å; P93-A97 PolarHBondContact O-N 2.9Å |
| 94 | S | 70.4 | Confident | 71.9 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 8% | 0.077 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.9 | -34 | 173.3 | 55.4 | 0 | 0 | 0 | 0 | 114 | Y80 P92 F98 | Y80-S94 WeakPolarHBondContact CB-OG 3.34Å; Y80-S94 VanDerWaalsContact CD2-CB 3.48Å; P92-S94 PolarHBondContact O-N 3.45Å; S94-F98 VanDerWaalsContact O-CB 3.25Å; S94-F98 WeakPolarHBondContact O-CB 3.32Å; S94-F98 PolarHBondContact O-N 2.96Å |
| 95 | A | 78.6 | Confident | 74.1 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.8 | -42.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A91 P92 F98 L99 | A91-A95 HydrophobicContact CB-CB 4.29Å; P92-A95 HydrophobicContact CG-CB 3.94Å; P92-A95 WeakPolarHBondContact O-CB 3.34Å; P92-A95 PolarHBondContact O-N 3.34Å; A95-F98 PolarHBondContact O-N 3.45Å; A95-L99 WeakPolarHBondContact O-CG 3.4Å; A95-L99 PolarHBondContact O-N 2.93Å |
| 96 | E | 82.8 | Confident | 75.8 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 174 | -65.7 | -177.2 | 174.4 | 0 | 0 | 111.3 | A91 F98 L99 L100 | A91-E96 HydrophobicContact CB-CG 4.25Å; E96-F98 VanDerWaalsContact C-N 3.31Å; E96-F98 PolarHBondContact O-N 3.27Å; E96-L99 PolarHBondContact O-N 2.86Å; E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 PolarHBondContact O-N 2.97Å |
| 97 | A | 85.2 | Confident | 77.5 | Confident | 26 Ų | 26 | 55 Ų | 55 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y75 P93 L100 V101 | Y75-A97 HydrophobicContact CD1-CB 3.84Å; Y75-A97 HydrophobicContact CE1-CB 4.18Å; Y75-A97 HydrophobicContact CG-CB 4.12Å; P93-A97 WeakPolarHBondContact O-CB 3.44Å; P93-A97 PolarHBondContact O-N 2.9Å; A97-L100 PolarHBondContact O-N 3.47Å; A97-V101 WeakPolarHBondContact O-CB 3.48Å; A97-V101 VanDerWaalsContact O-CG2 3.27Å; A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.45Å |
| 98 | F | 89.3 | Confident | 79.5 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 175.9 | -176.9 | -93.7 | 0 | 0 | 0 | 112.1 | A72 S94 A95 E96 L100 V101 A102 | A72-F98 HydrophobicContact CB-CE2 4.01Å; S94-F98 VanDerWaalsContact O-CB 3.25Å; S94-F98 WeakPolarHBondContact O-CB 3.32Å; S94-F98 PolarHBondContact O-N 2.96Å; A95-F98 PolarHBondContact O-N 3.45Å; E96-F98 VanDerWaalsContact C-N 3.31Å; E96-F98 PolarHBondContact O-N 3.27Å; F98-L100 VanDerWaalsContact C-N 3.32Å; F98-L100 PolarHBondContact O-N 3.17Å; F98-V101 PolarHBondContact O-N 3.33Å; F98-A102 WeakPolarHBondContact O-CB 3.49Å; F98-A102 PolarHBondContact O-N 2.9Å |
| 99 | L | 90.1 | Very high | 81.6 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 60% | 0.597 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.1 | -42.3 | 175.9 | -76.5 | 168.1 | 0 | 0 | 0 | 111.6 | A95 E96 A102 T103 | A95-L99 WeakPolarHBondContact O-CG 3.4Å; A95-L99 PolarHBondContact O-N 2.93Å; E96-L99 PolarHBondContact O-N 2.86Å; L99-A102 PolarHBondContact O-N 3.4Å; L99-T103 WeakPolarHBondContact O-CB 3.41Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 3.24Å |
| 100 | L | 91.2 | Very high | 83.5 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 177.2 | -172.7 | 65.5 | 0 | 0 | 0 | 111.7 | C44 V52 E96 A97 F98 A102 T103 A104 | C44-L100 HydrophobicContact CB-CD1 4.01Å; C44-L100 WeakPolarHBondContact O-CD1 3.26Å; V52-L100 HydrophobicContact CG1-CD2 4.38Å; V52-L100 HydrophobicContact CG1-CG 4Å; V52-L100 HydrophobicContact CG2-CD1 4.49Å; V52-L100 HydrophobicContact CG2-CD2 3.88Å; V52-L100 HydrophobicContact CG2-CG 4Å; E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 PolarHBondContact O-N 2.97Å; A97-L100 PolarHBondContact O-N 3.47Å; F98-L100 VanDerWaalsContact C-N 3.32Å; F98-L100 PolarHBondContact O-N 3.17Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 3.48Å; L100-T103 PolarHBondContact O-N 2.82Å; L100-A104 WeakPolarHBondContact O-CB 3.18Å; L100-A104 PolarHBondContact O-N 2.98Å |
| 101 | V | 93.9 | Very high | 85.6 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.5 | 167 | 0 | 0 | 0 | 0 | 111.7 | V52 L53 Y68 L71 Y75 A97 F98 Y105 | V52-V101 HydrophobicContact CG1-CG2 4.04Å; L53-V101 HydrophobicContact CD2-CG1 4.04Å; Y68-V101 HydrophobicContact CD2-CG1 3.78Å; Y68-V101 HydrophobicContact CE2-CG1 4.1Å; L71-V101 HydrophobicContact CB-CG1 3.78Å; L71-V101 HydrophobicContact CB-CG2 4.21Å; L71-V101 HydrophobicContact CD1-CG2 4.43Å; Y75-V101 HydrophobicContact CD2-CG2 4.27Å; A97-V101 WeakPolarHBondContact O-CB 3.48Å; A97-V101 VanDerWaalsContact O-CG2 3.27Å; A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.45Å; F98-V101 PolarHBondContact O-N 3.33Å; V101-Y105 PolarHBondContact O-N 3.42Å; V101-Y105 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 94.1 | Very high | 87.4 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F98 L99 L100 A104 Y105 E106 | F98-A102 WeakPolarHBondContact O-CB 3.49Å; F98-A102 PolarHBondContact O-N 2.9Å; L99-A102 PolarHBondContact O-N 3.4Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 3.48Å; A102-A104 PolarHBondContact O-N 2.85Å; A102-Y105 PolarHBondContact O-N 3.31Å; A102-E106 WeakPolarHBondContact O-CG 3.45Å; A102-E106 PolarHBondContact O-N 3.19Å |
| 103 | T | 93.3 | Very high | 89 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | Y43 L99 L100 E106 T107 | Y43-T103 WeakPolarHBondContact O-CG2 3.08Å; L99-T103 WeakPolarHBondContact O-CB 3.41Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 3.24Å; L100-T103 PolarHBondContact O-N 2.82Å; T103-E106 PolarHBondContact O-N 3.26Å; T103-T107 WeakPolarHBondContact O-CB 3.32Å; T103-T107 PolarHBondContact O-N 3Å; T103-T107 PolarHBondContact O-OG1 3.38Å |
| 104 | A | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | C44 C49 V52 L53 L100 A102 T107 L108 | C44-A104 WeakPolarHBondContact SG-CA 3.46Å; C44-A104 VanDerWaalsContact SG-CB 3.5Å; C49-A104 HydrophobicContact CB-CB 3.92Å; V52-A104 HydrophobicContact CB-CB 3.99Å; V52-A104 HydrophobicContact CG1-CB 3.67Å; L53-A104 HydrophobicContact CD1-CB 4.33Å; L53-A104 HydrophobicContact CD2-CB 4.18Å; L53-A104 HydrophobicContact CG-CB 3.85Å; L100-A104 WeakPolarHBondContact O-CB 3.18Å; L100-A104 PolarHBondContact O-N 2.98Å; A102-A104 PolarHBondContact O-N 2.85Å; A104-T107 PolarHBondContact O-N 3.03Å; A104-L108 WeakPolarHBondContact O-CB 3.29Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.44Å; A104-L108 PolarHBondContact O-N 2.83Å |
| 105 | Y | 95.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 61 Ų | 61 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 175.9 | 178.1 | -113.8 | 0 | 0 | 0 | 112.5 | I64 A65 Y68 V101 A102 T107 L108 K109 | I64-Y105 HydrophobicContact CG2-CD2 3.9Å; I64-Y105 HydrophobicContact CG2-CE2 4.21Å; A65-Y105 HydrophobicContact CB-CE2 4.16Å; Y68-Y105 AromaticContact CD1-CD1 3.63Å; Y68-Y105 HydrophobicContact CD1-CD1 3.63Å; Y68-Y105 HydrophobicContact CD1-CD2 4.06Å; Y68-Y105 AromaticContact CD1-CE1 3.76Å; Y68-Y105 HydrophobicContact CD1-CE1 3.76Å; Y68-Y105 HydrophobicContact CD1-CE2 4.2Å; Y68-Y105 AromaticContact CD1-CG 3.77Å; Y68-Y105 HydrophobicContact CD1-CG 3.77Å; Y68-Y105 AromaticContact CD2-CD1 3.96Å; Y68-Y105 HydrophobicContact CD2-CD1 3.96Å; Y68-Y105 HydrophobicContact CD2-CD2 4.3Å; Y68-Y105 AromaticContact CD2-CG 3.62Å; Y68-Y105 HydrophobicContact CD2-CG 3.62Å; Y68-Y105 AromaticContact CE1-CD1 3.73Å; Y68-Y105 HydrophobicContact CE1-CD1 3.73Å; Y68-Y105 AromaticContact CE1-CE1 3.87Å; Y68-Y105 HydrophobicContact CE1-CE1 3.87Å; Y68-Y105 HydrophobicContact CE1-CG 4.27Å; Y68-Y105 HydrophobicContact CE2-CD1 4.05Å; Y68-Y105 HydrophobicContact CE2-CG 4.13Å; Y68-Y105 AromaticContact CG-CD1 3.75Å; Y68-Y105 HydrophobicContact CG-CD1 3.75Å; Y68-Y105 AromaticContact CG-CD2 3.69Å; Y68-Y105 HydrophobicContact CG-CD2 3.69Å; Y68-Y105 HydrophobicContact CG-CE1 4.28Å; Y68-Y105 HydrophobicContact CG-CE2 4.26Å; Y68-Y105 AromaticContact CG-CG 3.4Å; Y68-Y105 HydrophobicContact CG-CG 3.4Å; Y68-Y105 VanDerWaalsContact CG-CG 3.4Å; Y68-Y105 AromaticContact CZ-CD1 3.92Å; V101-Y105 PolarHBondContact O-N 3.42Å; V101-Y105 VanDerWaalsContact O-N 3.09Å; A102-Y105 PolarHBondContact O-N 3.31Å; Y105-T107 VanDerWaalsContact C-N 3.29Å; Y105-T107 PolarHBondContact O-N 3.48Å; Y105-L108 PolarHBondContact O-N 2.99Å; Y105-K109 HydrophobicContact CD2-CB 4.36Å; Y105-K109 HydrophobicContact CE1-CD 3.84Å; Y105-K109 HydrophobicContact CE1-CG 4.45Å; Y105-K109 HydrophobicContact CE2-CB 4.09Å; Y105-K109 HydrophobicContact CE2-CG 4.29Å; Y105-K109 WeakPolarHBondContact O-CA 3.48Å; Y105-K109 WeakPolarHBondContact O-CB 3.28Å; Y105-K109 PolarHBondContact O-N 3.36Å |
| 106 | E | 93.3 | Very high | 92 | Very high | 124 Ų | 124 | 61.1 Ų | 61.1 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59 | -41.9 | 176.5 | -75.5 | -178.6 | -179.4 | 0 | 0 | 112 | A102 T103 | A102-E106 WeakPolarHBondContact O-CG 3.45Å; A102-E106 PolarHBondContact O-N 3.19Å; T103-E106 PolarHBondContact O-N 3.26Å |
| 107 | T | 93.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | Y43 T103 A104 Y105 T113 R114 Y117 | Y43-T107 HydrophobicContact CD1-CG2 3.37Å; Y43-T107 HydrophobicContact CE1-CG2 3.91Å; Y43-T107 HydrophobicContact CG-CG2 4.21Å; T103-T107 WeakPolarHBondContact O-CB 3.32Å; T103-T107 PolarHBondContact O-N 3Å; T103-T107 PolarHBondContact O-OG1 3.38Å; A104-T107 PolarHBondContact O-N 3.03Å; Y105-T107 VanDerWaalsContact C-N 3.29Å; Y105-T107 PolarHBondContact O-N 3.48Å; T107-T113 CarbonylContact O-C 3.33Å; T107-T113 WeakPolarHBondContact O-CB 3.4Å; T107-T113 PolarHBondContact O-OG1 3.32Å; T107-R114 PolarHBondContact O-N 2.87Å; T107-Y117 HydrophobicContact CG2-CD1 4.21Å; T107-Y117 HydrophobicContact CG2-CD2 3.89Å; T107-Y117 HydrophobicContact CG2-CG 3.65Å |
| 108 | L | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -92 | -14.5 | -172.7 | -62.9 | 179.3 | 0 | 0 | 0 | 114.7 | C49 Y50 L53 I64 A104 Y105 R114 Y117 | C49-L108 HydrophobicContact CB-CD1 3.95Å; C49-L108 HydrophobicContact CB-CD2 4.45Å; C49-L108 HydrophobicContact CB-CG 4.09Å; Y50-L108 HydrophobicContact CD1-CD1 3.64Å; Y50-L108 HydrophobicContact CD1-CD2 4.15Å; Y50-L108 HydrophobicContact CD2-CD2 4.42Å; Y50-L108 HydrophobicContact CE1-CD1 3.83Å; Y50-L108 HydrophobicContact CE1-CD2 3.57Å; Y50-L108 HydrophobicContact CE1-CG 4.3Å; Y50-L108 HydrophobicContact CE2-CD2 3.9Å; Y50-L108 HydrophobicContact CG-CD1 4.12Å; Y50-L108 VanDerWaalsContact CZ-CD2 3.44Å; L53-L108 HydrophobicContact CD1-CD1 3.96Å; I64-L108 HydrophobicContact CD1-CB 4.39Å; I64-L108 HydrophobicContact CG2-CB 4.17Å; A104-L108 WeakPolarHBondContact O-CB 3.29Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.44Å; A104-L108 PolarHBondContact O-N 2.83Å; Y105-L108 PolarHBondContact O-N 2.99Å; L108-R114 HydrophobicContact CD2-CG 4.1Å; L108-Y117 HydrophobicContact CD2-CD1 3.83Å; L108-Y117 HydrophobicContact CD2-CE1 4.27Å |
| 109 | K | 93.6 | Very high | 93.1 | Very high | 123 Ų | 123 | 57.2 Ų | 57.2 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.6 | -47.1 | -177.6 | 175.1 | -166 | 177.5 | -167.8 | 0 | 111.9 | Y105 | Y105-K109 HydrophobicContact CD2-CB 4.36Å; Y105-K109 HydrophobicContact CE1-CD 3.84Å; Y105-K109 HydrophobicContact CE1-CG 4.45Å; Y105-K109 HydrophobicContact CE2-CB 4.09Å; Y105-K109 HydrophobicContact CE2-CG 4.29Å; Y105-K109 WeakPolarHBondContact O-CA 3.48Å; Y105-K109 WeakPolarHBondContact O-CB 3.28Å; Y105-K109 PolarHBondContact O-N 3.36Å |
| 110 | D | 91.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -85.5 | 140.8 | 179.2 | -177.1 | 44.7 | 0 | 0 | 0 | 110.7 | T113 R114 | D110-T113 HydrophobicContact CB-CG2 4.33Å; D110-T113 WeakPolarHBondContact CB-OG1 3.42Å; D110-T113 PolarHBondContact O-OG1 3.37Å; D110-T113 VanDerWaalsContact O-OG1 3.08Å; D110-R114 WeakPolarHBondContact O-CB 3.3Å; D110-R114 PolarHBondContact O-N 3.29Å |
| 111 | E | 91.8 | Very high | 93.2 | Very high | 125 Ų | 125 | 51.6 Ų | 51.6 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -73.5 | -35.5 | -170.5 | -168.6 | 165.2 | 163.2 | 0 | 0 | 111.7 | K61 K115 | K61-E111 IonicContact NZ-OE2 3.98Å; K61-E111 PolarHBondContact NZ-OE2 2.98Å; E111-K115 VanDerWaalsContact O-CB 3.31Å; E111-K115 WeakPolarHBondContact O-CB 3.3Å; E111-K115 PolarHBondContact O-N 2.93Å |
| 112 | E | 91.2 | Very high | 93.1 | Very high | 118 Ų | 118 | 55.4 Ų | 55.4 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -71.2 | -43.9 | 177.1 | -57.9 | -173.2 | 179.8 | 0 | 0 | 111.7 | R114 K115 D116 R137 | E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 PolarHBondContact O-N 2.9Å; E112-K115 PolarHBondContact O-N 3.24Å; E112-D116 PolarHBondContact O-N 3.4Å; E112-R137 VanDerWaalsContact CB-NH1 3.34Å; E112-R137 IonicContact OE2-CZ 3.6Å; E112-R137 IonicContact OE2-NH1 3.83Å; E112-R137 PolarHBondContact OE2-NH1 3.14Å |
| 113 | T | 91.7 | Very high | 93 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 18% | 0.184 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 177 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | T107 D110 D116 Y117 | T107-T113 CarbonylContact O-C 3.33Å; T107-T113 WeakPolarHBondContact O-CB 3.4Å; T107-T113 PolarHBondContact O-OG1 3.32Å; D110-T113 HydrophobicContact CB-CG2 4.33Å; D110-T113 WeakPolarHBondContact CB-OG1 3.42Å; D110-T113 PolarHBondContact O-OG1 3.37Å; D110-T113 VanDerWaalsContact O-OG1 3.08Å; T113-D116 PolarHBondContact O-N 2.92Å; T113-Y117 WeakPolarHBondContact O-CB 3.46Å; T113-Y117 PolarHBondContact O-N 3.42Å |
| 114 | R | 93.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 173.4 | -178.4 | 177.3 | 179.9 | 173 | 0.2 | 111.2 | Y50 R57 A59 T107 L108 D110 E112 Y117 D118 | Y50-R114 WeakPolarHBondContact OH-CG 3.47Å; Y50-R114 PolarHBondContact OH-NE 3.22Å; R57-R114 PolarHBondContact O-NH2 3.27Å; A59-R114 PolarHBondContact O-NH1 3.06Å; A59-R114 PolarHBondContact O-NH2 3.44Å; T107-R114 PolarHBondContact O-N 2.87Å; L108-R114 HydrophobicContact CD2-CG 4.1Å; D110-R114 WeakPolarHBondContact O-CB 3.3Å; D110-R114 PolarHBondContact O-N 3.29Å; E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 PolarHBondContact O-N 2.9Å; R114-Y117 PolarHBondContact O-N 3.06Å; R114-D118 VanDerWaalsContact O-CB 3.22Å; R114-D118 WeakPolarHBondContact O-CB 3.33Å; R114-D118 VanDerWaalsContact O-CG 3.23Å; R114-D118 PolarHBondContact O-N 3.33Å |
| 115 | K | 93.7 | Very high | 92.4 | Very high | 151 Ų | 151 | 64.4 Ų | 64.4 | 66% | 0.657 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 177.1 | -175.1 | -179.1 | 177.7 | -176.3 | 0 | 112 | E111 E112 Y117 D118 Y119 | E111-K115 VanDerWaalsContact O-CB 3.31Å; E111-K115 WeakPolarHBondContact O-CB 3.3Å; E111-K115 PolarHBondContact O-N 2.93Å; E112-K115 PolarHBondContact O-N 3.24Å; K115-Y117 VanDerWaalsContact C-N 3.34Å; K115-D118 PolarHBondContact O-N 3.35Å; K115-Y119 VanDerWaalsContact O-CB 3.29Å; K115-Y119 WeakPolarHBondContact O-CB 3.44Å; K115-Y119 PolarHBondContact O-N 2.93Å |
| 116 | D | 92.3 | Very high | 92.2 | Very high | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 175.7 | -74.3 | 13.4 | 0 | 0 | 0 | 111.5 | E112 T113 Y119 M120 R137 | E112-D116 PolarHBondContact O-N 3.4Å; T113-D116 PolarHBondContact O-N 2.92Å; D116-Y119 PolarHBondContact O-N 3.43Å; D116-M120 WeakPolarHBondContact O-CB 3.42Å; D116-M120 PolarHBondContact O-N 2.96Å; D116-R137 IonicContact OD1-CZ 2.91Å; D116-R137 IonicContact OD1-NH2 2.65Å; D116-R137 PolarHBondContact OD1-NH2 2.84Å; D116-R137 IonicContact OD2-CZ 2.72Å; D116-R137 IonicContact OD2-NE 3.18Å; D116-R137 PolarHBondContact OD2-NE 3.42Å; D116-R137 IonicContact OD2-NH2 2.58Å; D116-R137 PolarHBondContact OD2-NH2 3.05Å |
| 117 | Y | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 176 | -176.4 | -111.8 | 0 | 0 | 0 | 112 | Y43 D48 C49 Y50 T107 L108 T113 R114 K115 Y119 M120 L121 | Y43-Y117 AromaticContact CD1-CD2 3.86Å; Y43-Y117 HydrophobicContact CD1-CD2 3.86Å; Y43-Y117 AromaticContact CD2-CD2 3.71Å; Y43-Y117 HydrophobicContact CD2-CD2 3.71Å; Y43-Y117 HydrophobicContact CD2-CE2 4.14Å; Y43-Y117 HydrophobicContact CE1-CD2 4.23Å; Y43-Y117 HydrophobicContact CE2-CD2 4.12Å; Y43-Y117 AromaticContact CG-CD2 3.55Å; Y43-Y117 HydrophobicContact CG-CD2 3.55Å; Y43-Y117 AromaticContact CG-CE2 3.97Å; Y43-Y117 HydrophobicContact CG-CE2 3.97Å; D48-Y117 WeakPolarHBondContact CA-OH 3.05Å; D48-Y117 PolarHBondContact OD1-OH 3.43Å; C49-Y117 HydrophobicContact CB-CD1 4.5Å; C49-Y117 HydrophobicContact CB-CE1 3.72Å; C49-Y117 PolarHBondContact N-OH 3.02Å; C49-Y117 VanDerWaalsContact SG-CZ 3.58Å; Y50-Y117 AromaticContact CD2-CE1 4Å; Y50-Y117 HydrophobicContact CD2-CE1 4Å; Y50-Y117 HydrophobicContact CE2-CD1 4.02Å; Y50-Y117 AromaticContact CE2-CE1 3.93Å; Y50-Y117 HydrophobicContact CE2-CE1 3.93Å; T107-Y117 HydrophobicContact CG2-CD1 4.21Å; T107-Y117 HydrophobicContact CG2-CD2 3.89Å; T107-Y117 HydrophobicContact CG2-CG 3.65Å; L108-Y117 HydrophobicContact CD2-CD1 3.83Å; L108-Y117 HydrophobicContact CD2-CE1 4.27Å; T113-Y117 WeakPolarHBondContact O-CB 3.46Å; T113-Y117 PolarHBondContact O-N 3.42Å; R114-Y117 PolarHBondContact O-N 3.06Å; K115-Y117 VanDerWaalsContact C-N 3.34Å; Y117-Y119 VanDerWaalsContact C-N 3.32Å; Y117-Y119 PolarHBondContact O-N 3.39Å; Y117-M120 HydrophobicContact CD2-CE 3.75Å; Y117-M120 HydrophobicContact CE2-CE 3.51Å; Y117-M120 WeakPolarHBondContact O-CB 3.29Å; Y117-M120 PolarHBondContact O-N 2.77Å; Y117-L121 HydrophobicContact CD1-CD1 4.07Å; Y117-L121 HydrophobicContact CE1-CD1 3.61Å; Y117-L121 HydrophobicContact CE1-CG 4.2Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 2.88Å |
| 118 | D | 94.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 174.3 | -82 | -20.6 | 0 | 0 | 0 | 111.3 | Y50 R57 R114 K115 L121 D122 | Y50-D118 WeakPolarHBondContact CE2-OD1 3.49Å; Y50-D118 PolarHBondContact OH-OD1 2.91Å; Y50-D118 PolarHBondContact OH-OD2 3.33Å; R57-D118 IonicContact CZ-OD1 2.96Å; R57-D118 IonicContact NE-OD1 3.45Å; R57-D118 PolarHBondContact NE-OD1 3.08Å; R57-D118 IonicContact NE-OD2 3.76Å; R57-D118 VanDerWaalsContact NH2-CB 3.33Å; R57-D118 PolarHBondContact NH2-O 3.16Å; R57-D118 IonicContact NH2-OD1 3.81Å; R114-D118 VanDerWaalsContact O-CB 3.22Å; R114-D118 WeakPolarHBondContact O-CB 3.33Å; R114-D118 VanDerWaalsContact O-CG 3.23Å; R114-D118 PolarHBondContact O-N 3.33Å; K115-D118 PolarHBondContact O-N 3.35Å; D118-L121 PolarHBondContact O-N 3.4Å; D118-D122 VanDerWaalsContact O-CG 3.29Å; D118-D122 PolarHBondContact O-N 3.47Å |
| 119 | Y | 93.1 | Very high | 91.4 | Very high | 92 Ų | 92 | 75.8 Ų | 75.8 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 175.4 | -176 | -99.4 | 0 | 0 | 0 | 112 | K115 D116 Y117 D122 H123 E126 H130 | K115-Y119 VanDerWaalsContact O-CB 3.29Å; K115-Y119 WeakPolarHBondContact O-CB 3.44Å; K115-Y119 PolarHBondContact O-N 2.93Å; D116-Y119 PolarHBondContact O-N 3.43Å; Y117-Y119 VanDerWaalsContact C-N 3.32Å; Y117-Y119 PolarHBondContact O-N 3.39Å; Y119-D122 PolarHBondContact O-N 3.35Å; Y119-H123 AromaticContact CD2-CD2 3.47Å; Y119-H123 VanDerWaalsContact CD2-CD2 3.47Å; Y119-H123 WeakPolarHBondContact CD2-CD2 3.26Å; Y119-H123 HydrophobicContact CE1-CB 4.4Å; Y119-H123 AromaticContact CE2-CD2 3.22Å; Y119-H123 WeakPolarHBondContact CE2-CD2 3.27Å; Y119-H123 AromaticContact CE2-NE2 3.68Å; Y119-H123 AromaticContact CZ-CD2 3.66Å; Y119-H123 WeakPolarHBondContact O-CB 3.45Å; Y119-H123 PolarHBondContact O-N 3.28Å; Y119-E126 VanDerWaalsContact CE1-OE2 3.25Å; Y119-E126 WeakPolarHBondContact CE1-OE2 3.31Å; Y119-E126 VanDerWaalsContact OH-CD 3.29Å; Y119-E126 PolarHBondContact OH-OE1 3.37Å; Y119-E126 PolarHBondContact OH-OE2 2.87Å; Y119-H130 AromaticContact CD1-CE1 3.39Å; Y119-H130 WeakPolarHBondContact CD1-CE1 3.41Å; Y119-H130 AromaticContact CD1-ND1 3.94Å; Y119-H130 AromaticContact CE1-CE1 3.6Å |
| 120 | M | 92.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 172.9 | -176.1 | -164.7 | 75.5 | 0 | 0 | 112.5 | L38 L42 Y43 D116 Y117 D122 H123 H130 | L38-M120 HydrophobicContact CD2-CE 4.31Å; L42-M120 HydrophobicContact CD2-SD 3.88Å; Y43-M120 HydrophobicContact CD2-CE 3.79Å; Y43-M120 HydrophobicContact CD2-SD 3.53Å; Y43-M120 VanDerWaalsContact CD2-SD 3.53Å; Y43-M120 HydrophobicContact CE2-CE 4.14Å; Y43-M120 HydrophobicContact CE2-SD 3.45Å; Y43-M120 WeakPolarHBondContact CE2-SD 3.49Å; D116-M120 WeakPolarHBondContact O-CB 3.42Å; D116-M120 PolarHBondContact O-N 2.96Å; Y117-M120 HydrophobicContact CD2-CE 3.75Å; Y117-M120 HydrophobicContact CE2-CE 3.51Å; Y117-M120 WeakPolarHBondContact O-CB 3.29Å; Y117-M120 PolarHBondContact O-N 2.77Å; M120-D122 VanDerWaalsContact C-N 3.31Å; M120-D122 PolarHBondContact O-N 3.44Å; M120-H123 CarbonylContact O-C 3.51Å; M120-H123 PolarHBondContact O-N 3.34Å; M120-H130 WeakPolarHBondContact CA-CE1 3.22Å; M120-H130 HydrophobicContact CB-CB 4.4Å; M120-H130 HydrophobicContact CG-CB 3.99Å; M120-H130 HydrophobicContact SD-CB 4.44Å |
| 121 | L | 91.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 176.7 | -68.2 | 177.2 | 0 | 0 | 0 | 112.2 | L38 Y50 Y117 D118 | L38-L121 HydrophobicContact CD2-CD2 3.9Å; Y50-L121 HydrophobicContact CD2-CD1 4.29Å; Y50-L121 HydrophobicContact CE2-CD1 4.17Å; Y117-L121 HydrophobicContact CD1-CD1 4.07Å; Y117-L121 HydrophobicContact CE1-CD1 3.61Å; Y117-L121 HydrophobicContact CE1-CG 4.2Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 2.88Å; D118-L121 PolarHBondContact O-N 3.4Å |
| 122 | D | 92.3 | Very high | 91 | Very high | 85 Ų | 85 | 72.8 Ų | 72.8 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.9 | -27.6 | 179.6 | -65.6 | -25.5 | 0 | 0 | 0 | 113.1 | R57 D118 Y119 M120 P124 | R57-D122 IonicContact CZ-OD1 3.12Å; R57-D122 IonicContact CZ-OD2 2.76Å; R57-D122 IonicContact NH1-OD1 2.72Å; R57-D122 PolarHBondContact NH1-OD1 2.93Å; R57-D122 IonicContact NH1-OD2 2.73Å; R57-D122 VanDerWaalsContact NH2-CG 3.32Å; R57-D122 IonicContact NH2-OD1 3.83Å; R57-D122 PolarHBondContact NH2-OD1 3.25Å; R57-D122 IonicContact NH2-OD2 3.29Å; R57-D122 PolarHBondContact NH2-OD2 3.35Å; D118-D122 VanDerWaalsContact O-CG 3.29Å; D118-D122 PolarHBondContact O-N 3.47Å; Y119-D122 PolarHBondContact O-N 3.35Å; M120-D122 VanDerWaalsContact C-N 3.31Å; M120-D122 PolarHBondContact O-N 3.44Å; D122-P124 VanDerWaalsContact C-CD 3.49Å |
| 123 | H | 91.5 | Very high | 90.9 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 30% | 0.301 | 32% | 0.32 | S | S | . | . | trans | -128.1 | 60.8 | -174.3 | -64.2 | -72.3 | 0 | 0 | 0 | 113.6 | Y119 M120 E125 E126 H130 | Y119-H123 AromaticContact CD2-CD2 3.47Å; Y119-H123 VanDerWaalsContact CD2-CD2 3.47Å; Y119-H123 WeakPolarHBondContact CD2-CD2 3.26Å; Y119-H123 HydrophobicContact CE1-CB 4.4Å; Y119-H123 AromaticContact CE2-CD2 3.22Å; Y119-H123 WeakPolarHBondContact CE2-CD2 3.27Å; Y119-H123 AromaticContact CE2-NE2 3.68Å; Y119-H123 AromaticContact CZ-CD2 3.66Å; Y119-H123 WeakPolarHBondContact O-CB 3.45Å; Y119-H123 PolarHBondContact O-N 3.28Å; M120-H123 CarbonylContact O-C 3.51Å; M120-H123 PolarHBondContact O-N 3.34Å; H123-E125 VanDerWaalsContact C-OE2 3.29Å; H123-E125 IonicContact CG-OE1 3.89Å; H123-E125 IonicContact ND1-OE1 3.99Å; H123-E125 PolarHBondContact ND1-OE1 3.43Å; H123-E125 PolarHBondContact O-N 2.91Å; H123-E125 VanDerWaalsContact O-N 3.09Å; H123-E126 HydrophobicContact CB-CG 4.38Å; H123-E126 PolarHBondContact O-N 3.28Å; H123-H130 PolarHBondContact O-NE2 3.34Å | ||
| 124 | P | 88.6 | Confident | 90.8 | Very high | 50 Ų | 50 | 70.7 Ų | 70.7 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.2 | -176.2 | 26.2 | -35.6 | 0 | 0 | 0 | 114.6 | A37 D122 E126 | A37-P124 HydrophobicContact CB-CB 3.56Å; A37-P124 HydrophobicContact CB-CG 4.07Å; D122-P124 VanDerWaalsContact C-CD 3.49Å; P124-E126 VanDerWaalsContact C-N 3.27Å; P124-E126 PolarHBondContact O-N 2.86Å |
| 125 | E | 87.8 | Confident | 90.5 | Very high | 131 Ų | 131 | 72.9 Ų | 72.9 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.3 | 176.7 | 65.3 | -78.2 | -178.7 | 0 | 0 | 113.7 | H123 Y127 | H123-E125 VanDerWaalsContact C-OE2 3.29Å; H123-E125 IonicContact CG-OE1 3.89Å; H123-E125 IonicContact ND1-OE1 3.99Å; H123-E125 PolarHBondContact ND1-OE1 3.43Å; H123-E125 PolarHBondContact O-N 2.91Å; H123-E125 VanDerWaalsContact O-N 3.09Å; E125-Y127 PolarHBondContact O-N 2.81Å |
| 126 | E | 90.2 | Very high | 90.1 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | trans | -86.4 | 43 | -175.3 | -58.8 | -168.5 | 168.2 | 0 | 0 | 113.6 | Y119 H123 P124 Y128 S129 H130 | Y119-E126 VanDerWaalsContact CE1-OE2 3.25Å; Y119-E126 WeakPolarHBondContact CE1-OE2 3.31Å; Y119-E126 VanDerWaalsContact OH-CD 3.29Å; Y119-E126 PolarHBondContact OH-OE1 3.37Å; Y119-E126 PolarHBondContact OH-OE2 2.87Å; H123-E126 HydrophobicContact CB-CG 4.38Å; H123-E126 PolarHBondContact O-N 3.28Å; P124-E126 VanDerWaalsContact C-N 3.27Å; P124-E126 PolarHBondContact O-N 2.86Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.14Å; E126-Y128 VanDerWaalsContact O-N 3.1Å; E126-S129 VanDerWaalsContact O-CB 3.3Å; E126-S129 WeakPolarHBondContact O-CB 3.45Å; E126-S129 PolarHBondContact O-N 3.22Å; E126-H130 PolarHBondContact O-CD2 3.19Å; E126-H130 PolarHBondContact O-N 3.26Å | ||
| 127 | Y | 86.5 | Confident | 89.7 | Confident | 108 Ų | 108 | 71.6 Ų | 71.6 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -42.9 | -51.1 | -174.3 | 177.5 | -90.8 | 0 | 0 | 0 | 114.6 | V39 E125 S129 H130 Y131 | V39-Y127 HydrophobicContact CB-CE2 4.32Å; V39-Y127 HydrophobicContact CG1-CD2 4.4Å; V39-Y127 HydrophobicContact CG1-CE2 3.56Å; V39-Y127 HydrophobicContact CG2-CD2 3.72Å; V39-Y127 HydrophobicContact CG2-CE2 3.73Å; E125-Y127 PolarHBondContact O-N 2.81Å; Y127-S129 VanDerWaalsContact C-N 3.32Å; Y127-S129 PolarHBondContact O-N 3.1Å; Y127-H130 PolarHBondContact O-N 3.3Å; Y127-Y131 WeakPolarHBondContact O-CB 3.35Å; Y127-Y131 PolarHBondContact O-N 2.95Å |
| 128 | Y | 89.1 | Confident | 89.2 | Confident | 196 Ų | 196 | 79.4 Ų | 79.4 | 77% | 0.769 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.8 | -31.9 | -177.3 | -73.7 | -72.3 | 0 | 0 | 0 | 113.3 | E126 Y132 | E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.14Å; E126-Y128 VanDerWaalsContact O-N 3.1Å; Y128-Y132 WeakPolarHBondContact O-CB 3.32Å; Y128-Y132 PolarHBondContact O-N 3.47Å |
| 129 | S | 89.7 | Confident | 88.6 | Confident | 41 Ų | 41 | 84.1 Ų | 84.1 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.4 | -51.8 | 177.7 | -169.5 | 0 | 0 | 0 | 0 | 110 | E126 Y127 Y131 Y132 H133 | E126-S129 VanDerWaalsContact O-CB 3.3Å; E126-S129 WeakPolarHBondContact O-CB 3.45Å; E126-S129 PolarHBondContact O-N 3.22Å; Y127-S129 VanDerWaalsContact C-N 3.32Å; Y127-S129 PolarHBondContact O-N 3.1Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 3.04Å; S129-Y132 WeakPolarHBondContact O-CB 3.2Å; S129-Y132 PolarHBondContact O-N 2.61Å; S129-Y132 VanDerWaalsContact O-N 3.1Å; S129-H133 PolarHBondContact O-CD2 2.91Å; S129-H133 PolarHBondContact O-N 3.15Å |
| 130 | H | 90.9 | Very high | 87.8 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 3% | 0.032 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 179.1 | -57.7 | -46.9 | 0 | 0 | 0 | 112.2 | L42 Y119 M120 H123 E126 Y127 Y132 H133 Y134 | L42-H130 HydrophobicContact CD2-CB 4.14Å; Y119-H130 AromaticContact CD1-CE1 3.39Å; Y119-H130 WeakPolarHBondContact CD1-CE1 3.41Å; Y119-H130 AromaticContact CD1-ND1 3.94Å; Y119-H130 AromaticContact CE1-CE1 3.6Å; M120-H130 WeakPolarHBondContact CA-CE1 3.22Å; M120-H130 HydrophobicContact CB-CB 4.4Å; M120-H130 HydrophobicContact CG-CB 3.99Å; M120-H130 HydrophobicContact SD-CB 4.44Å; H123-H130 PolarHBondContact O-NE2 3.34Å; E126-H130 PolarHBondContact O-CD2 3.19Å; E126-H130 PolarHBondContact O-N 3.26Å; Y127-H130 PolarHBondContact O-N 3.3Å; H130-Y132 PolarHBondContact O-N 2.85Å; H130-H133 PolarHBondContact O-N 3.28Å; H130-Y134 WeakPolarHBondContact O-CB 3.41Å; H130-Y134 PolarHBondContact O-N 3.25Å |
| 131 | Y | 89.6 | Confident | 87 | Confident | 97 Ų | 97 | 86.1 Ų | 86.1 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 173.7 | -170.9 | -84.7 | 0 | 0 | 0 | 111 | L42 Y127 S129 H133 Y134 Y135 | L42-Y131 HydrophobicContact CD1-CD2 4.22Å; Y127-Y131 WeakPolarHBondContact O-CB 3.35Å; Y127-Y131 PolarHBondContact O-N 2.95Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 3.04Å; Y131-H133 PolarHBondContact O-N 2.98Å; Y131-Y134 PolarHBondContact O-N 3.32Å; Y131-Y135 AromaticContact CD1-CD2 3.69Å; Y131-Y135 HydrophobicContact CD1-CD2 3.69Å; Y131-Y135 HydrophobicContact CD1-CE2 4.09Å; Y131-Y135 HydrophobicContact CD2-CD2 4.08Å; Y131-Y135 AromaticContact CD2-CE2 3.73Å; Y131-Y135 HydrophobicContact CD2-CE2 3.73Å; Y131-Y135 AromaticContact CE1-CD2 3.41Å; Y131-Y135 HydrophobicContact CE1-CD2 3.41Å; Y131-Y135 VanDerWaalsContact CE1-CD2 3.41Å; Y131-Y135 AromaticContact CE1-CE2 3.6Å; Y131-Y135 HydrophobicContact CE1-CE2 3.6Å; Y131-Y135 HydrophobicContact CE1-CG 4.28Å; Y131-Y135 AromaticContact CE2-CD2 3.86Å; Y131-Y135 HydrophobicContact CE2-CD2 3.86Å; Y131-Y135 AromaticContact CE2-CE2 3.21Å; Y131-Y135 HydrophobicContact CE2-CE2 3.21Å; Y131-Y135 HydrophobicContact CG-CD2 4Å; Y131-Y135 HydrophobicContact CG-CE2 4.14Å; Y131-Y135 AromaticContact CZ-CD2 3.49Å; Y131-Y135 VanDerWaalsContact CZ-CD2 3.49Å; Y131-Y135 AromaticContact CZ-CE2 3.11Å; Y131-Y135 AromaticContact CZ-CZ 3.81Å; Y131-Y135 VanDerWaalsContact O-CD2 3.31Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.41Å; Y131-Y135 PolarHBondContact O-N 3.25Å; Y131-Y135 WeakPolarHBondContact OH-CE2 3.39Å |
| 132 | Y | 88.7 | Confident | 86.3 | Confident | 159 Ų | 159 | 94.8 Ų | 94.8 | 62% | 0.624 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 178.7 | -178.4 | -95.2 | 0 | 0 | 0 | 112.2 | Y128 S129 H130 S136 | Y128-Y132 WeakPolarHBondContact O-CB 3.32Å; Y128-Y132 PolarHBondContact O-N 3.47Å; S129-Y132 WeakPolarHBondContact O-CB 3.2Å; S129-Y132 PolarHBondContact O-N 2.61Å; S129-Y132 VanDerWaalsContact O-N 3.1Å; H130-Y132 PolarHBondContact O-N 2.85Å; Y132-S136 WeakPolarHBondContact O-CB 3.34Å; Y132-S136 PolarHBondContact O-N 2.92Å |
| 133 | H | 88.4 | Confident | 85.8 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 179.4 | -77.3 | -67.4 | 0 | 0 | 0 | 112.4 | S129 H130 Y131 R137 | S129-H133 PolarHBondContact O-CD2 2.91Å; S129-H133 PolarHBondContact O-N 3.15Å; H130-H133 PolarHBondContact O-N 3.28Å; Y131-H133 PolarHBondContact O-N 2.98Å; H133-R137 WeakPolarHBondContact O-CG 3.33Å; H133-R137 PolarHBondContact O-N 3.23Å; H133-R137 VanDerWaalsContact O-N 3.09Å |
| 134 | Y | 89.2 | Confident | 85.5 | Confident | 26 Ų | 26 | 96.1 Ų | 96.1 | 10% | 0.102 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 177.5 | 175.2 | -98.9 | 0 | 0 | 0 | 112.4 | L42 Y43 H130 Y131 R138 | L42-Y134 HydrophobicContact CD1-CD1 3.29Å; L42-Y134 HydrophobicContact CD1-CD2 4.34Å; L42-Y134 HydrophobicContact CD1-CE1 3.79Å; L42-Y134 HydrophobicContact CD1-CG 3.58Å; L42-Y134 HydrophobicContact CG-CD1 4.02Å; L42-Y134 HydrophobicContact CG-CD2 4.17Å; L42-Y134 HydrophobicContact CG-CE1 4.45Å; L42-Y134 HydrophobicContact CG-CG 3.83Å; Y43-Y134 AromaticContact CD1-CD2 3.93Å; Y43-Y134 HydrophobicContact CD1-CD2 3.93Å; Y43-Y134 HydrophobicContact CD1-CE2 4.13Å; Y43-Y134 HydrophobicContact CD2-CD2 4.4Å; Y43-Y134 AromaticContact CE1-CD2 3.82Å; Y43-Y134 HydrophobicContact CE1-CD2 3.82Å; Y43-Y134 HydrophobicContact CE1-CE2 4.45Å; Y43-Y134 HydrophobicContact CE2-CD2 4.26Å; Y43-Y134 HydrophobicContact CG-CD2 4.25Å; Y43-Y134 HydrophobicContact CG-CE2 4.37Å; Y43-Y134 AromaticContact CZ-CD2 3.99Å; H130-Y134 WeakPolarHBondContact O-CB 3.41Å; H130-Y134 PolarHBondContact O-N 3.25Å; Y131-Y134 PolarHBondContact O-N 3.32Å; Y134-R138 PolarHBondContact O-N 2.83Å; Y134-R138 PolarHBondContact OH-NH1 3.46Å |
| 135 | Y | 88.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.4 | -37.3 | -179.1 | -81.4 | -79.4 | 0 | 0 | 0 | 112.8 | L42 Y131 R137 R138 L139 | L42-Y135 HydrophobicContact CD1-CE2 4.22Å; Y131-Y135 AromaticContact CD1-CD2 3.69Å; Y131-Y135 HydrophobicContact CD1-CD2 3.69Å; Y131-Y135 HydrophobicContact CD1-CE2 4.09Å; Y131-Y135 HydrophobicContact CD2-CD2 4.08Å; Y131-Y135 AromaticContact CD2-CE2 3.73Å; Y131-Y135 HydrophobicContact CD2-CE2 3.73Å; Y131-Y135 AromaticContact CE1-CD2 3.41Å; Y131-Y135 HydrophobicContact CE1-CD2 3.41Å; Y131-Y135 VanDerWaalsContact CE1-CD2 3.41Å; Y131-Y135 AromaticContact CE1-CE2 3.6Å; Y131-Y135 HydrophobicContact CE1-CE2 3.6Å; Y131-Y135 HydrophobicContact CE1-CG 4.28Å; Y131-Y135 AromaticContact CE2-CD2 3.86Å; Y131-Y135 HydrophobicContact CE2-CD2 3.86Å; Y131-Y135 AromaticContact CE2-CE2 3.21Å; Y131-Y135 HydrophobicContact CE2-CE2 3.21Å; Y131-Y135 HydrophobicContact CG-CD2 4Å; Y131-Y135 HydrophobicContact CG-CE2 4.14Å; Y131-Y135 AromaticContact CZ-CD2 3.49Å; Y131-Y135 VanDerWaalsContact CZ-CD2 3.49Å; Y131-Y135 AromaticContact CZ-CE2 3.11Å; Y131-Y135 AromaticContact CZ-CZ 3.81Å; Y131-Y135 VanDerWaalsContact O-CD2 3.31Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.41Å; Y131-Y135 PolarHBondContact O-N 3.25Å; Y131-Y135 WeakPolarHBondContact OH-CE2 3.39Å; Y135-R137 VanDerWaalsContact C-N 3.31Å; Y135-R137 PolarHBondContact O-N 3.34Å; Y135-R138 PolarHBondContact O-N 3.36Å; Y135-L139 HydrophobicContact CD1-CD1 3.76Å; Y135-L139 HydrophobicContact CD1-CG 4.46Å; Y135-L139 VanDerWaalsContact O-CB 3.31Å; Y135-L139 WeakPolarHBondContact O-CB 3.48Å; Y135-L139 PolarHBondContact O-N 3.34Å |
| 136 | S | 85.5 | Confident | 85.5 | Confident | 50 Ų | 50 | 100.8 Ų | 100.8 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 175.8 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | Y132 R138 A140 | Y132-S136 WeakPolarHBondContact O-CB 3.34Å; Y132-S136 PolarHBondContact O-N 2.92Å; S136-R138 PolarHBondContact O-N 3.25Å; S136-A140 VanDerWaalsContact O-CA 3.32Å; S136-A140 WeakPolarHBondContact O-CA 3.39Å; S136-A140 WeakPolarHBondContact O-CB 3.33Å; S136-A140 PolarHBondContact O-N 2.95Å |
| 137 | R | 83.4 | Confident | 85.5 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 37% | 0.37 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 178.2 | -70.5 | -176.7 | -169.1 | -92.2 | 5.8 | 114.1 | E112 D116 H133 Y135 | E112-R137 VanDerWaalsContact CB-NH1 3.34Å; E112-R137 IonicContact OE2-CZ 3.6Å; E112-R137 IonicContact OE2-NH1 3.83Å; E112-R137 PolarHBondContact OE2-NH1 3.14Å; D116-R137 IonicContact OD1-CZ 2.91Å; D116-R137 IonicContact OD1-NH2 2.65Å; D116-R137 PolarHBondContact OD1-NH2 2.84Å; D116-R137 IonicContact OD2-CZ 2.72Å; D116-R137 IonicContact OD2-NE 3.18Å; D116-R137 PolarHBondContact OD2-NE 3.42Å; D116-R137 IonicContact OD2-NH2 2.58Å; D116-R137 PolarHBondContact OD2-NH2 3.05Å; H133-R137 WeakPolarHBondContact O-CG 3.33Å; H133-R137 PolarHBondContact O-N 3.23Å; H133-R137 VanDerWaalsContact O-N 3.09Å; Y135-R137 VanDerWaalsContact C-N 3.31Å; Y135-R137 PolarHBondContact O-N 3.34Å |
| 138 | R | 82.9 | Confident | 85.8 | Confident | 165 Ų | 165 | 100 Ų | 100 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -79.3 | -33.2 | -178 | -64.3 | -171.9 | 85.4 | -178.7 | 5.9 | 113 | Y134 Y135 S136 | Y134-R138 PolarHBondContact O-N 2.83Å; Y134-R138 PolarHBondContact OH-NH1 3.46Å; Y135-R138 PolarHBondContact O-N 3.36Å; S136-R138 PolarHBondContact O-N 3.25Å |
| 139 | L | 81.3 | Confident | 85.9 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -112.2 | -9.7 | -171.4 | -59.9 | 178.8 | 0 | 0 | 0 | 114.2 | Y135 P141 | Y135-L139 HydrophobicContact CD1-CD1 3.76Å; Y135-L139 HydrophobicContact CD1-CG 4.46Å; Y135-L139 VanDerWaalsContact O-CB 3.31Å; Y135-L139 WeakPolarHBondContact O-CB 3.48Å; Y135-L139 PolarHBondContact O-N 3.34Å; L139-P141 WeakPolarHBondContact O-CD 3.32Å; L139-P141 VanDerWaalsContact O-N 3.15Å |
| 140 | A | 77.3 | Confident | 86.1 | Confident | 54 Ų | 54 | 98.6 Ų | 98.6 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | trans | -58.7 | 123.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S136 K142 | S136-A140 VanDerWaalsContact O-CA 3.32Å; S136-A140 WeakPolarHBondContact O-CA 3.39Å; S136-A140 WeakPolarHBondContact O-CB 3.33Å; S136-A140 PolarHBondContact O-N 2.95Å; A140-K142 PolarHBondContact O-N 3.26Å | ||
| 141 | P | 74.1 | Confident | 86.3 | Confident | 84 Ų | 84 | 102.5 Ų | 102.5 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | trans | -61.2 | 131.9 | 173.5 | 25.8 | -31.9 | 0 | 0 | 0 | 108.1 | L139 V143 V145 | L139-P141 WeakPolarHBondContact O-CD 3.32Å; L139-P141 VanDerWaalsContact O-N 3.15Å; P141-V143 HydrophobicContact CB-CG2 4.28Å; P141-V143 PolarHBondContact O-N 3.44Å; P141-V145 HydrophobicContact CG-CG2 4.25Å | ||
| 142 | K | 76.4 | Confident | 86.5 | Confident | 219 Ų | 219 | 100.7 Ų | 100.7 | 95% | 0.952 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -63.7 | -12.5 | 176.3 | -64.8 | -178 | 179.2 | 179.1 | 0 | 113 | A140 | A140-K142 PolarHBondContact O-N 3.26Š|
| 143 | V | 82.4 | Confident | 86.9 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -101.6 | 132.9 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 109.9 | P141 V145 V148 | P141-V143 HydrophobicContact CB-CG2 4.28Å; P141-V143 PolarHBondContact O-N 3.44Å; V143-V145 PolarHBondContact O-N 2.91Å; V143-V148 HydrophobicContact CG2-CG2 4.1Å |
| 144 | D | 85.1 | Confident | 87.2 | Confident | 86 Ų | 86 | 92.6 Ų | 92.6 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | trans | -62.9 | 121.9 | 173.9 | -173.4 | -17.8 | 0 | 0 | 0 | 109.3 | R146 V147 V148 | D144-R146 PolarHBondContact O-N 3.24Å; D144-R146 VanDerWaalsContact O-N 3.1Å; D144-R146 VanDerWaalsContact OD1-CB 3.29Å; D144-R146 WeakPolarHBondContact OD1-CB 3.27Å; D144-R146 VanDerWaalsContact OD1-CG 3.26Å; D144-R146 WeakPolarHBondContact OD1-CG 3.27Å; D144-R146 PolarHBondContact OD1-N 3.05Å; D144-V147 HydrophobicContact CB-CG2 4.16Å; D144-V147 WeakPolarHBondContact O-CB 3.43Å; D144-V147 PolarHBondContact O-N 2.97Å; D144-V148 PolarHBondContact O-N 2.89Å | ||
| 145 | V | 86.6 | Confident | 87.5 | Confident | 84 Ų | 84 | 94.2 Ų | 94.2 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -54 | -31.6 | 179 | -179 | 0 | 0 | 0 | 0 | 111.2 | P141 V143 V147 V148 I149 | P141-V145 HydrophobicContact CG-CG2 4.25Å; V143-V145 PolarHBondContact O-N 2.91Å; V145-V147 VanDerWaalsContact C-N 3.33Å; V145-V147 PolarHBondContact O-N 3.42Å; V145-V148 PolarHBondContact O-N 3.35Å; V145-I149 HydrophobicContact CG1-CD1 3.9Å; V145-I149 HydrophobicContact CG1-CG1 4.34Å; V145-I149 VanDerWaalsContact O-CG1 3.32Å; V145-I149 WeakPolarHBondContact O-CG1 3.46Å; V145-I149 PolarHBondContact O-N 3.4Å |
| 146 | R | 89.8 | Confident | 87.9 | Confident | 195 Ų | 195 | 94 Ų | 94 | 74% | 0.736 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 177.9 | -62.1 | 170.6 | -179.2 | -172 | 1.5 | 112.3 | D144 I149 L150 | D144-R146 PolarHBondContact O-N 3.24Å; D144-R146 VanDerWaalsContact O-N 3.1Å; D144-R146 VanDerWaalsContact OD1-CB 3.29Å; D144-R146 WeakPolarHBondContact OD1-CB 3.27Å; D144-R146 VanDerWaalsContact OD1-CG 3.26Å; D144-R146 WeakPolarHBondContact OD1-CG 3.27Å; D144-R146 PolarHBondContact OD1-N 3.05Å; R146-I149 PolarHBondContact O-N 2.9Å; R146-L150 WeakPolarHBondContact O-CB 3.46Å; R146-L150 PolarHBondContact O-N 2.94Å |
| 147 | V | 90.6 | Very high | 88.4 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | D144 V145 I149 L150 V151 | D144-V147 HydrophobicContact CB-CG2 4.16Å; D144-V147 WeakPolarHBondContact O-CB 3.43Å; D144-V147 PolarHBondContact O-N 2.97Å; V145-V147 VanDerWaalsContact C-N 3.33Å; V145-V147 PolarHBondContact O-N 3.42Å; V147-I149 PolarHBondContact O-N 3.08Å; V147-L150 PolarHBondContact O-N 3.37Å; V147-V151 HydrophobicContact CG1-CG2 4.38Å; V147-V151 WeakPolarHBondContact O-CG2 3.48Å; V147-V151 PolarHBondContact O-N 2.95Å |
| 148 | V | 91.7 | Very high | 88.9 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | V143 D144 V145 L150 V151 S152 | V143-V148 HydrophobicContact CG2-CG2 4.1Å; D144-V148 PolarHBondContact O-N 2.89Å; V145-V148 PolarHBondContact O-N 3.35Å; V148-L150 PolarHBondContact O-N 2.71Å; V148-V151 PolarHBondContact O-N 3.08Å; V148-S152 WeakPolarHBondContact O-CB 3.48Å; V148-S152 PolarHBondContact O-N 3.32Å; V148-S152 PolarHBondContact O-OG 2.88Å |
| 149 | I | 92.9 | Very high | 89.5 | Confident | 100 Ų | 100 | 91.4 Ų | 91.4 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 177.5 | -68.4 | 167.3 | 0 | 0 | 0 | 111 | V145 R146 V147 S152 V153 | V145-I149 HydrophobicContact CG1-CD1 3.9Å; V145-I149 HydrophobicContact CG1-CG1 4.34Å; V145-I149 VanDerWaalsContact O-CG1 3.32Å; V145-I149 WeakPolarHBondContact O-CG1 3.46Å; V145-I149 PolarHBondContact O-N 3.4Å; R146-I149 PolarHBondContact O-N 2.9Å; V147-I149 PolarHBondContact O-N 3.08Å; I149-S152 PolarHBondContact O-N 3.38Å; I149-V153 HydrophobicContact CG2-CG2 4.31Å; I149-V153 WeakPolarHBondContact O-CB 3.24Å; I149-V153 VanDerWaalsContact O-CG2 3.29Å; I149-V153 WeakPolarHBondContact O-CG2 3.35Å; I149-V153 PolarHBondContact O-N 3.45Å |
| 150 | L | 93.7 | Very high | 90.1 | Very high | 108 Ų | 108 | 87.7 Ų | 87.7 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.4 | -49.3 | -179.9 | -172.6 | 160.4 | 0 | 0 | 0 | 111.2 | R146 V147 V148 S152 V153 C154 | R146-L150 WeakPolarHBondContact O-CB 3.46Å; R146-L150 PolarHBondContact O-N 2.94Å; V147-L150 PolarHBondContact O-N 3.37Å; V148-L150 PolarHBondContact O-N 2.71Å; L150-S152 VanDerWaalsContact C-N 3.35Å; L150-S152 PolarHBondContact O-N 3.27Å; L150-V153 PolarHBondContact O-N 3.27Å; L150-C154 WeakPolarHBondContact O-CB 3.33Å; L150-C154 PolarHBondContact O-N 2.93Å; L150-C154 PolarHBondContact O-SG 3.41Å; L150-C154 VanDerWaalsContact O-SG 3.35Å |
| 151 | V | 94.5 | Very high | 90.9 | Very high | 88 Ų | 88 | 89.6 Ų | 89.6 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 179.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V147 V148 C154 A155 | V147-V151 HydrophobicContact CG1-CG2 4.38Å; V147-V151 WeakPolarHBondContact O-CG2 3.48Å; V147-V151 PolarHBondContact O-N 2.95Å; V148-V151 PolarHBondContact O-N 3.08Å; V151-C154 PolarHBondContact O-N 3.37Å; V151-A155 WeakPolarHBondContact O-CB 3.23Å; V151-A155 PolarHBondContact O-N 3.07Å |
| 152 | S | 94.4 | Very high | 91.9 | Very high | 59 Ų | 59 | 92.1 Ų | 92.1 | 41% | 0.413 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | V148 I149 L150 C154 A155 I156 | V148-S152 WeakPolarHBondContact O-CB 3.48Å; V148-S152 PolarHBondContact O-N 3.32Å; V148-S152 PolarHBondContact O-OG 2.88Å; I149-S152 PolarHBondContact O-N 3.38Å; L150-S152 VanDerWaalsContact C-N 3.35Å; L150-S152 PolarHBondContact O-N 3.27Å; S152-C154 PolarHBondContact O-N 3.34Å; S152-A155 PolarHBondContact O-N 2.86Å; S152-I156 WeakPolarHBondContact O-CB 3.3Å; S152-I156 VanDerWaalsContact O-CG1 3.26Å; S152-I156 WeakPolarHBondContact O-CG1 3.39Å; S152-I156 PolarHBondContact O-N 3.32Å |
| 153 | V | 95.9 | Very high | 92.7 | Very high | 25 Ų | 25 | 83.9 Ų | 83.9 | 15% | 0.152 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.2 | 162.5 | 0 | 0 | 0 | 0 | 111.5 | I149 L150 S157 L242 L243 | I149-V153 HydrophobicContact CG2-CG2 4.31Å; I149-V153 WeakPolarHBondContact O-CB 3.24Å; I149-V153 VanDerWaalsContact O-CG2 3.29Å; I149-V153 WeakPolarHBondContact O-CG2 3.35Å; I149-V153 PolarHBondContact O-N 3.45Å; L150-V153 PolarHBondContact O-N 3.27Å; V153-S157 WeakPolarHBondContact O-CB 3.43Å; V153-S157 PolarHBondContact O-N 3.2Å; V153-S157 PolarHBondContact O-OG 3.29Å; V153-L242 HydrophobicContact CB-CD2 4.21Å; V153-L242 HydrophobicContact CG1-CD2 3.57Å; V153-L242 HydrophobicContact CG2-CD2 3.94Å; V153-L243 HydrophobicContact CG1-CB 4.21Å; V153-L243 HydrophobicContact CG1-CD1 3.84Å |
| 154 | C | 94.6 | Very high | 93.2 | Very high | 43 Ų | 43 | 83.3 Ų | 83.3 | 29% | 0.291 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 175.4 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | L150 V151 S152 I156 S157 V158 | L150-C154 WeakPolarHBondContact O-CB 3.33Å; L150-C154 PolarHBondContact O-N 2.93Å; L150-C154 PolarHBondContact O-SG 3.41Å; L150-C154 VanDerWaalsContact O-SG 3.35Å; V151-C154 PolarHBondContact O-N 3.37Å; S152-C154 PolarHBondContact O-N 3.34Å; C154-I156 PolarHBondContact O-N 2.92Å; C154-S157 PolarHBondContact O-N 3.4Å; C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 2.92Å |
| 155 | A | 96 | Very high | 93.7 | Very high | 60 Ų | 60 | 84.1 Ų | 84.1 | 50% | 0.496 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V151 S152 S157 V158 F159 | V151-A155 WeakPolarHBondContact O-CB 3.23Å; V151-A155 PolarHBondContact O-N 3.07Å; S152-A155 PolarHBondContact O-N 2.86Å; A155-S157 VanDerWaalsContact C-N 3.31Å; A155-S157 PolarHBondContact O-N 3.12Å; A155-V158 PolarHBondContact O-N 3.23Å; A155-F159 PolarHBondContact O-N 3.23Å |
| 156 | I | 96.4 | Very high | 94 | Very high | 79 Ų | 79 | 83.3 Ų | 83.3 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.9 | -68.1 | 166 | 0 | 0 | 0 | 110.5 | S152 C154 V158 F159 Q160 L242 | S152-I156 WeakPolarHBondContact O-CB 3.3Å; S152-I156 VanDerWaalsContact O-CG1 3.26Å; S152-I156 WeakPolarHBondContact O-CG1 3.39Å; S152-I156 PolarHBondContact O-N 3.32Å; C154-I156 PolarHBondContact O-N 2.92Å; I156-V158 PolarHBondContact O-N 3.23Å; I156-F159 PolarHBondContact O-N 3.34Å; I156-Q160 HydrophobicContact CG2-CG 4.2Å; I156-Q160 WeakPolarHBondContact O-CB 3.39Å; I156-Q160 VanDerWaalsContact O-CG 3.29Å; I156-Q160 WeakPolarHBondContact O-CG 3.16Å; I156-Q160 PolarHBondContact O-N 2.96Å; I156-L242 HydrophobicContact CG2-CD1 4.18Å |
| 157 | S | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 75.4 Ų | 75.4 | 4% | 0.035 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 179.8 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | V153 C154 A155 Q160 Y161 L243 | V153-S157 WeakPolarHBondContact O-CB 3.43Å; V153-S157 PolarHBondContact O-N 3.2Å; V153-S157 PolarHBondContact O-OG 3.29Å; C154-S157 PolarHBondContact O-N 3.4Å; A155-S157 VanDerWaalsContact C-N 3.31Å; A155-S157 PolarHBondContact O-N 3.12Å; S157-Q160 PolarHBondContact O-N 3.25Å; S157-Y161 PolarHBondContact O-N 2.86Å; S157-L243 WeakPolarHBondContact OG-CB 3.29Å; S157-L243 PolarHBondContact OG-N 3.44Å |
| 158 | V | 94.8 | Very high | 94.3 | Very high | 106 Ų | 106 | 71.9 Ų | 71.9 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.4 | -46.2 | 175.1 | 172 | 0 | 0 | 0 | 0 | 110.8 | C154 A155 I156 Q160 Y161 F162 | C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 2.92Å; A155-V158 PolarHBondContact O-N 3.23Å; I156-V158 PolarHBondContact O-N 3.23Å; V158-Q160 PolarHBondContact O-N 2.78Å; V158-Y161 PolarHBondContact O-N 2.72Å; V158-F162 PolarHBondContact O-N 2.7Å |
| 159 | F | 95.5 | Very high | 94.3 | Very high | 147 Ų | 147 | 70.9 Ų | 70.9 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 177.5 | 179.9 | -98.3 | 0 | 0 | 0 | 112.1 | A155 I156 F162 S163 | A155-F159 PolarHBondContact O-N 3.23Å; I156-F159 PolarHBondContact O-N 3.34Å; F159-F162 PolarHBondContact O-N 3.45Å; F159-S163 VanDerWaalsContact O-CB 3.31Å; F159-S163 WeakPolarHBondContact O-CB 2.76Å; F159-S163 PolarHBondContact O-N 3.49Å |
| 160 | Q | 94.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 71.9 Ų | 71.9 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 175.2 | -78.3 | 177.7 | -9 | 0 | 0 | 111.8 | I156 S157 V158 F162 S163 W164 | I156-Q160 HydrophobicContact CG2-CG 4.2Å; I156-Q160 WeakPolarHBondContact O-CB 3.39Å; I156-Q160 VanDerWaalsContact O-CG 3.29Å; I156-Q160 WeakPolarHBondContact O-CG 3.16Å; I156-Q160 PolarHBondContact O-N 2.96Å; S157-Q160 PolarHBondContact O-N 3.25Å; V158-Q160 PolarHBondContact O-N 2.78Å; Q160-F162 VanDerWaalsContact C-N 3.33Å; Q160-F162 PolarHBondContact O-N 3.22Å; Q160-S163 PolarHBondContact O-N 3.11Å; Q160-W164 PolarHBondContact O-N 3.26Å |
| 161 | Y | 94.1 | Very high | 94.3 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57 | -47.3 | 178.2 | -176.6 | -98.7 | 0 | 0 | 0 | 111.6 | S157 V158 W164 W165 P236 L241 | S157-Y161 PolarHBondContact O-N 2.86Å; V158-Y161 PolarHBondContact O-N 2.72Å; Y161-W164 PolarHBondContact O-N 3.18Å; Y161-W165 VanDerWaalsContact O-CB 3.31Å; Y161-W165 WeakPolarHBondContact O-CB 3.34Å; Y161-W165 PolarHBondContact O-N 2.89Å; Y161-P236 HydrophobicContact CD2-CB 4Å; Y161-P236 HydrophobicContact CD2-CG 4.49Å; Y161-P236 HydrophobicContact CE2-CB 3.88Å; Y161-P236 HydrophobicContact CE2-CG 4Å; Y161-L241 HydrophobicContact CD2-CD1 4.35Å; Y161-L241 HydrophobicContact CD2-CD2 4.15Å; Y161-L241 HydrophobicContact CG-CD2 4.43Å |
| 162 | F | 94.6 | Very high | 94.2 | Very high | 136 Ų | 136 | 63.4 Ų | 63.4 | 60% | 0.596 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 179 | -176.8 | -99.7 | 0 | 0 | 0 | 112.1 | V158 F159 Q160 W165 N166 | V158-F162 PolarHBondContact O-N 2.7Å; F159-F162 PolarHBondContact O-N 3.45Å; Q160-F162 VanDerWaalsContact C-N 3.33Å; Q160-F162 PolarHBondContact O-N 3.22Å; F162-W165 PolarHBondContact O-N 3.38Å; F162-N166 WeakPolarHBondContact O-CB 3.35Å; F162-N166 PolarHBondContact O-N 3.26Å |
| 163 | S | 94.1 | Very high | 94.1 | Very high | 46 Ų | 46 | 63 Ų | 63 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | F159 Q160 N166 S167 | F159-S163 VanDerWaalsContact O-CB 3.31Å; F159-S163 WeakPolarHBondContact O-CB 2.76Å; F159-S163 PolarHBondContact O-N 3.49Å; Q160-S163 PolarHBondContact O-N 3.11Å; S163-N166 PolarHBondContact O-N 2.9Å; S163-S167 WeakPolarHBondContact O-CB 3.25Å; S163-S167 PolarHBondContact O-N 3.44Å; S163-S167 PolarHBondContact O-OG 3.38Å |
| 164 | W | 93.1 | Very high | 94 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 31% | 0.307 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 176.3 | -67 | -19.6 | 0 | 0 | 0 | 112.3 | Q160 Y161 N166 S167 Y168 P236 D240 L241 | Q160-W164 PolarHBondContact O-N 3.26Å; Y161-W164 PolarHBondContact O-N 3.18Å; W164-N166 VanDerWaalsContact C-N 3.33Å; W164-N166 PolarHBondContact O-N 2.89Å; W164-S167 PolarHBondContact O-N 3.45Å; W164-Y168 WeakPolarHBondContact O-CB 3.36Å; W164-Y168 PolarHBondContact O-N 3.42Å; W164-P236 HydrophobicContact CB-CB 4.02Å; W164-P236 HydrophobicContact CE3-CB 4.37Å; W164-D240 HydrophobicContact CH2-CB 4.3Å; W164-D240 WeakPolarHBondContact CH2-O 3.45Å; W164-D240 HydrophobicContact CZ3-CB 4.03Å; W164-L241 HydrophobicContact CE3-CD2 4.3Å; W164-L241 HydrophobicContact CZ3-CD2 3.94Å |
| 165 | W | 93.6 | Very high | 93.9 | Very high | 102 Ų | 102 | 68.3 Ų | 68.3 | 39% | 0.386 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 174.6 | -177.2 | -106.6 | 0 | 0 | 0 | 111.8 | Y161 F162 Y168 N169 P236 | Y161-W165 VanDerWaalsContact O-CB 3.31Å; Y161-W165 WeakPolarHBondContact O-CB 3.34Å; Y161-W165 PolarHBondContact O-N 2.89Å; F162-W165 PolarHBondContact O-N 3.38Å; W165-Y168 PolarHBondContact O-N 2.9Å; W165-N169 VanDerWaalsContact CD1-ND2 3.29Å; W165-N169 VanDerWaalsContact CE2-ND2 3.34Å; W165-N169 PolarHBondContact NE1-ND2 3.27Å; W165-N169 WeakPolarHBondContact O-CB 3.25Å; W165-N169 VanDerWaalsContact O-CG 3.31Å; W165-N169 PolarHBondContact O-N 2.97Å; W165-N169 PolarHBondContact O-ND2 3.3Å; W165-P236 HydrophobicContact CB-CG 4.36Å; W165-P236 HydrophobicContact CE3-CG 3.74Å |
| 166 | N | 94.4 | Very high | 93.6 | Very high | 67 Ų | 67 | 65.8 Ų | 65.8 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.4 | -173.5 | 34 | 0 | 0 | 0 | 111.7 | F162 S163 W164 N169 K170 | F162-N166 WeakPolarHBondContact O-CB 3.35Å; F162-N166 PolarHBondContact O-N 3.26Å; S163-N166 PolarHBondContact O-N 2.9Å; W164-N166 VanDerWaalsContact C-N 3.33Å; W164-N166 PolarHBondContact O-N 2.89Å; N166-N169 PolarHBondContact O-N 3.38Å; N166-K170 PolarHBondContact ND2-NZ 2.96Å; N166-K170 WeakPolarHBondContact O-CG 3.32Å; N166-K170 PolarHBondContact O-N 3.25Å |
| 167 | S | 92.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | S163 W164 N169 K170 A171 Y233 | S163-S167 WeakPolarHBondContact O-CB 3.25Å; S163-S167 PolarHBondContact O-N 3.44Å; S163-S167 PolarHBondContact O-OG 3.38Å; W164-S167 PolarHBondContact O-N 3.45Å; S167-N169 PolarHBondContact O-N 3.18Å; S167-K170 PolarHBondContact O-N 3.32Å; S167-A171 PolarHBondContact O-N 3.42Å; S167-Y233 WeakPolarHBondContact O-CD1 3.45Å |
| 168 | Y | 93.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 67.7 Ų | 67.7 | 6% | 0.059 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 175.1 | 176.7 | -104.7 | 0 | 0 | 0 | 111.9 | W164 W165 K170 A171 I172 K224 I229 Y233 K235 | W164-Y168 WeakPolarHBondContact O-CB 3.36Å; W164-Y168 PolarHBondContact O-N 3.42Å; W165-Y168 PolarHBondContact O-N 2.9Å; Y168-K170 VanDerWaalsContact C-N 3.34Å; Y168-K170 PolarHBondContact O-N 3.14Å; Y168-A171 WeakPolarHBondContact O-CB 3.28Å; Y168-A171 PolarHBondContact O-N 3.34Å; Y168-I172 HydrophobicContact CD1-CG1 4.45Å; Y168-I172 HydrophobicContact CE1-CG1 4.09Å; Y168-I172 HydrophobicContact CE2-CD1 4.32Å; Y168-I172 HydrophobicContact CE2-CG1 4.26Å; Y168-I172 WeakPolarHBondContact O-CG1 3.45Å; Y168-I172 PolarHBondContact O-N 3.25Å; Y168-K224 HydrophobicContact CE1-CG 4.46Å; Y168-I229 HydrophobicContact CE2-CD1 4.16Å; Y168-Y233 VanDerWaalsContact CD2-O 3.29Å; Y168-Y233 WeakPolarHBondContact CD2-O 3.48Å; Y168-K235 HydrophobicContact CD2-CB 4.14Å; Y168-K235 HydrophobicContact CE2-CB 3.79Å |
| 169 | N | 92.6 | Very high | 93.3 | Very high | 50 Ų | 50 | 67 Ų | 67 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 179 | -72.1 | -39 | 0 | 0 | 0 | 112.5 | W165 N166 S167 I172 S173 | W165-N169 VanDerWaalsContact CD1-ND2 3.29Å; W165-N169 VanDerWaalsContact CE2-ND2 3.34Å; W165-N169 PolarHBondContact NE1-ND2 3.27Å; W165-N169 WeakPolarHBondContact O-CB 3.25Å; W165-N169 VanDerWaalsContact O-CG 3.31Å; W165-N169 PolarHBondContact O-N 2.97Å; W165-N169 PolarHBondContact O-ND2 3.3Å; N166-N169 PolarHBondContact O-N 3.38Å; S167-N169 PolarHBondContact O-N 3.18Å; N169-I172 PolarHBondContact O-N 3.37Å; N169-S173 PolarHBondContact O-N 2.86Å; N169-S173 PolarHBondContact O-OG 3.29Å |
| 170 | K | 93.4 | Very high | 93.1 | Very high | 120 Ų | 120 | 66.2 Ų | 66.2 | 52% | 0.522 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 173.2 | -75.1 | 176 | -178.4 | 178.8 | 0 | 111.2 | N166 S167 Y168 I172 S173 Y174 | N166-K170 PolarHBondContact ND2-NZ 2.96Å; N166-K170 WeakPolarHBondContact O-CG 3.32Å; N166-K170 PolarHBondContact O-N 3.25Å; S167-K170 PolarHBondContact O-N 3.32Å; Y168-K170 VanDerWaalsContact C-N 3.34Å; Y168-K170 PolarHBondContact O-N 3.14Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-I172 PolarHBondContact O-N 3.33Å; K170-S173 WeakPolarHBondContact CA-OG 3.39Å; K170-S173 PolarHBondContact O-N 3.26Å; K170-S173 PolarHBondContact O-OG 3.4Å; K170-Y174 WeakPolarHBondContact O-CB 3.49Å; K170-Y174 PolarHBondContact O-N 3.04Å |
| 171 | A | 92.9 | Very high | 93 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S167 Y168 S173 Y174 L175 I229 Y233 | S167-A171 PolarHBondContact O-N 3.42Å; Y168-A171 WeakPolarHBondContact O-CB 3.28Å; Y168-A171 PolarHBondContact O-N 3.34Å; A171-S173 PolarHBondContact O-N 2.8Å; A171-Y174 PolarHBondContact O-N 3.41Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.3Å; A171-L175 PolarHBondContact O-N 2.91Å; A171-I229 HydrophobicContact CB-CD1 4.35Å; A171-Y233 HydrophobicContact CB-CD1 3.85Å; A171-Y233 HydrophobicContact CB-CG 4.03Å |
| 172 | I | 92.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.9 | -65.7 | -68.4 | 0 | 0 | 0 | 111.5 | Y168 N169 K170 Y174 L175 A176 K220 I223 K224 I229 | Y168-I172 HydrophobicContact CD1-CG1 4.45Å; Y168-I172 HydrophobicContact CE1-CG1 4.09Å; Y168-I172 HydrophobicContact CE2-CD1 4.32Å; Y168-I172 HydrophobicContact CE2-CG1 4.26Å; Y168-I172 WeakPolarHBondContact O-CG1 3.45Å; Y168-I172 PolarHBondContact O-N 3.25Å; N169-I172 PolarHBondContact O-N 3.37Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-I172 PolarHBondContact O-N 3.33Å; I172-Y174 VanDerWaalsContact C-N 3.31Å; I172-Y174 PolarHBondContact O-N 3.06Å; I172-L175 PolarHBondContact O-N 2.91Å; I172-A176 PolarHBondContact O-N 3.48Å; I172-K220 HydrophobicContact CG2-CB 3.97Å; I172-K220 HydrophobicContact CG2-CG 4Å; I172-I223 HydrophobicContact CD1-CG2 3.71Å; I172-I223 HydrophobicContact CG2-CG2 4.43Å; I172-K224 HydrophobicContact CD1-CB 4.4Å; I172-K224 HydrophobicContact CD1-CG 3.62Å; I172-K224 HydrophobicContact CG1-CG 3.96Å; I172-K224 HydrophobicContact CG2-CG 4.14Å; I172-I229 HydrophobicContact CD1-CD1 3.48Å; I172-I229 VanDerWaalsContact CD1-CD1 3.48Å; I172-I229 HydrophobicContact CG1-CD1 4.14Å |
| 173 | S | 92.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 177.9 | 71.1 | 0 | 0 | 0 | 0 | 112 | N169 K170 A171 A176 T177 | N169-S173 PolarHBondContact O-N 2.86Å; N169-S173 PolarHBondContact O-OG 3.29Å; K170-S173 WeakPolarHBondContact CA-OG 3.39Å; K170-S173 PolarHBondContact O-N 3.26Å; K170-S173 PolarHBondContact O-OG 3.4Å; A171-S173 PolarHBondContact O-N 2.8Å; S173-A176 PolarHBondContact O-N 2.89Å; S173-T177 PolarHBondContact O-N 3.1Å |
| 174 | Y | 92.8 | Very high | 92.7 | Very high | 156 Ų | 156 | 69.1 Ų | 69.1 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.6 | -44.7 | 175.1 | 176.9 | -98.5 | 0 | 0 | 0 | 112 | K170 A171 I172 A176 T177 V178 | K170-Y174 WeakPolarHBondContact O-CB 3.49Å; K170-Y174 PolarHBondContact O-N 3.04Å; A171-Y174 PolarHBondContact O-N 3.41Å; I172-Y174 VanDerWaalsContact C-N 3.31Å; I172-Y174 PolarHBondContact O-N 3.06Å; Y174-A176 PolarHBondContact O-N 3.42Å; Y174-T177 PolarHBondContact O-N 2.97Å; Y174-T177 PolarHBondContact O-OG1 3.2Å; Y174-V178 HydrophobicContact CD1-CG2 4.26Å; Y174-V178 HydrophobicContact CE1-CG2 3.81Å; Y174-V178 PolarHBondContact O-N 3.44Å |
| 175 | L | 91.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -33.1 | 177.4 | -70.7 | 171.2 | 0 | 0 | 0 | 112 | A171 I172 T177 V178 Y181 I223 I227 I229 | A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.3Å; A171-L175 PolarHBondContact O-N 2.91Å; I172-L175 PolarHBondContact O-N 2.91Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 3.24Å; L175-V178 PolarHBondContact O-N 2.98Å; L175-Y181 HydrophobicContact CB-CD2 4.45Å; L175-Y181 HydrophobicContact CD2-CD2 3.5Å; L175-Y181 HydrophobicContact CD2-CE2 3.44Å; L175-Y181 VanDerWaalsContact CD2-CE2 3.44Å; L175-Y181 HydrophobicContact CD2-CG 4.3Å; L175-I223 HydrophobicContact CB-CD1 4.44Å; L175-I223 HydrophobicContact CB-CG2 4Å; L175-I223 HydrophobicContact CD1-CG2 4.09Å; L175-I227 HydrophobicContact CD1-CG2 4.3Å; L175-I229 HydrophobicContact CD1-CD1 3.59Å; L175-I229 HydrophobicContact CD1-CG1 3.98Å |
| 176 | A | 91.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 62.1 Ų | 62.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.3 | -23.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I172 S173 Y174 R182 I219 K220 I223 | I172-A176 PolarHBondContact O-N 3.48Å; S173-A176 PolarHBondContact O-N 2.89Å; Y174-A176 PolarHBondContact O-N 3.42Å; A176-R182 WeakPolarHBondContact O-CD 3.47Å; A176-I219 HydrophobicContact CB-CG2 4.43Å; A176-K220 HydrophobicContact CB-CG 4.22Å; A176-I223 HydrophobicContact CB-CD1 3.89Å |
| 177 | T | 92.4 | Very high | 92.4 | Very high | 91 Ų | 91 | 63.7 Ų | 63.7 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -83.8 | -27.7 | 175.3 | 67.6 | 0 | 0 | 0 | 0 | 112.6 | S173 Y174 L175 P179 | S173-T177 PolarHBondContact O-N 3.1Å; Y174-T177 PolarHBondContact O-N 2.97Å; Y174-T177 PolarHBondContact O-OG1 3.2Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 3.24Å; T177-P179 WeakPolarHBondContact O-CD 3.34Å |
| 178 | V | 93.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -67.1 | 123.1 | 179.4 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | Y174 L175 K180 Y181 R182 | Y174-V178 HydrophobicContact CD1-CG2 4.26Å; Y174-V178 HydrophobicContact CE1-CG2 3.81Å; Y174-V178 PolarHBondContact O-N 3.44Å; L175-V178 PolarHBondContact O-N 2.98Å; V178-K180 VanDerWaalsContact C-N 3.31Å; V178-K180 HydrophobicContact CG1-CB 4.26Å; V178-K180 PolarHBondContact O-N 3.25Å; V178-Y181 HydrophobicContact CB-CD2 3.85Å; V178-Y181 HydrophobicContact CB-CE2 4.46Å; V178-Y181 HydrophobicContact CG1-CD2 3.69Å; V178-Y181 HydrophobicContact CG1-CE2 4.02Å; V178-Y181 PolarHBondContact O-N 3.16Å; V178-R182 WeakPolarHBondContact O-CB 3.45Å; V178-R182 PolarHBondContact O-N 3.45Å; V178-R182 VanDerWaalsContact O-N 3.08Å |
| 179 | P | 93.6 | Very high | 92.3 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 60% | 0.597 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.2 | -40.8 | -174.3 | -28.2 | 34.6 | 0 | 0 | 0 | 114.1 | T177 Y181 R182 I183 | T177-P179 WeakPolarHBondContact O-CD 3.34Å; P179-Y181 PolarHBondContact O-N 3.02Å; P179-R182 PolarHBondContact O-N 3.31Å; P179-I183 WeakPolarHBondContact O-CB 3.3Å; P179-I183 WeakPolarHBondContact O-CD1 3.29Å; P179-I183 VanDerWaalsContact O-CG1 3.23Å; P179-I183 WeakPolarHBondContact O-CG1 3.29Å; P179-I183 PolarHBondContact O-N 2.58Å |
| 180 | K | 92.6 | Very high | 92.2 | Very high | 129 Ų | 129 | 68 Ų | 68 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -55.1 | -53.3 | -178.9 | -178.2 | -178.1 | 177.2 | -176.4 | 0 | 112.2 | V178 Q184 | V178-K180 VanDerWaalsContact C-N 3.31Å; V178-K180 HydrophobicContact CG1-CB 4.26Å; V178-K180 PolarHBondContact O-N 3.25Å; K180-Q184 WeakPolarHBondContact O-CG 3.29Å; K180-Q184 PolarHBondContact O-N 2.87Å |
| 181 | Y | 91.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 70 Ų | 70 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.3 | -33.2 | -176.9 | -57.6 | -61.6 | 0 | 0 | 0 | 111.9 | L175 V178 P179 A185 I227 | L175-Y181 HydrophobicContact CB-CD2 4.45Å; L175-Y181 HydrophobicContact CD2-CD2 3.5Å; L175-Y181 HydrophobicContact CD2-CE2 3.44Å; L175-Y181 VanDerWaalsContact CD2-CE2 3.44Å; L175-Y181 HydrophobicContact CD2-CG 4.3Å; V178-Y181 HydrophobicContact CB-CD2 3.85Å; V178-Y181 HydrophobicContact CB-CE2 4.46Å; V178-Y181 HydrophobicContact CG1-CD2 3.69Å; V178-Y181 HydrophobicContact CG1-CE2 4.02Å; V178-Y181 PolarHBondContact O-N 3.16Å; P179-Y181 PolarHBondContact O-N 3.02Å; Y181-A185 VanDerWaalsContact O-CB 3.27Å; Y181-A185 WeakPolarHBondContact O-CB 3.44Å; Y181-A185 PolarHBondContact O-N 2.98Å; Y181-I227 HydrophobicContact CD1-CD1 3.5Å; Y181-I227 HydrophobicContact CE1-CD1 4.14Å; Y181-I227 HydrophobicContact CG-CD1 3.9Å |
| 182 | R | 92.1 | Very high | 91.9 | Very high | 130 Ų | 130 | 74 Ų | 74 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 176 | -172.6 | 176.9 | -176.6 | 151 | 1.7 | 111.8 | A176 V178 P179 A185 T186 | A176-R182 WeakPolarHBondContact O-CD 3.47Å; V178-R182 WeakPolarHBondContact O-CB 3.45Å; V178-R182 PolarHBondContact O-N 3.45Å; V178-R182 VanDerWaalsContact O-N 3.08Å; P179-R182 PolarHBondContact O-N 3.31Å; R182-A185 PolarHBondContact O-N 3.37Å; R182-T186 HydrophobicContact CG-CG2 4.5Å; R182-T186 VanDerWaalsContact O-CG2 3.27Å; R182-T186 WeakPolarHBondContact O-CG2 3.39Å; R182-T186 PolarHBondContact O-N 2.89Å; R182-T186 PolarHBondContact O-OG1 2.91Å |
| 183 | I | 92.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 76.6 Ų | 76.6 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.1 | -50.8 | 178.8 | -67.9 | 164.3 | 0 | 0 | 0 | 109.8 | P179 A185 T186 E187 | P179-I183 WeakPolarHBondContact O-CB 3.3Å; P179-I183 WeakPolarHBondContact O-CD1 3.29Å; P179-I183 VanDerWaalsContact O-CG1 3.23Å; P179-I183 WeakPolarHBondContact O-CG1 3.29Å; P179-I183 PolarHBondContact O-N 2.58Å; I183-A185 VanDerWaalsContact C-N 3.34Å; I183-A185 PolarHBondContact O-N 3.38Å; I183-T186 WeakPolarHBondContact CA-OG1 3.46Å; I183-T186 PolarHBondContact O-N 3.34Å; I183-T186 VanDerWaalsContact O-N 3.08Å; I183-T186 PolarHBondContact O-OG1 3.07Å; I183-E187 WeakPolarHBondContact CG2-OE1 3.32Å; I183-E187 WeakPolarHBondContact O-CG 3.4Å; I183-E187 PolarHBondContact O-N 2.89Å |
| 184 | Q | 92.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 78 Ų | 78 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.7 | -46.8 | 176.8 | -71 | 177 | -11.8 | 0 | 0 | 112.3 | K180 T186 E187 I188 | K180-Q184 WeakPolarHBondContact O-CG 3.29Å; K180-Q184 PolarHBondContact O-N 2.87Å; Q184-T186 VanDerWaalsContact C-N 3.33Å; Q184-T186 PolarHBondContact O-N 3.45Å; Q184-E187 PolarHBondContact O-N 3.33Å; Q184-I188 VanDerWaalsContact O-CG1 3.3Å; Q184-I188 WeakPolarHBondContact O-CG1 3.4Å; Q184-I188 PolarHBondContact O-N 3.48Å; Q184-I188 VanDerWaalsContact O-N 3.08Å |
| 185 | A | 91.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y181 R182 I183 A189 I219 I222 I223 | Y181-A185 VanDerWaalsContact O-CB 3.27Å; Y181-A185 WeakPolarHBondContact O-CB 3.44Å; Y181-A185 PolarHBondContact O-N 2.98Å; R182-A185 PolarHBondContact O-N 3.37Å; I183-A185 VanDerWaalsContact C-N 3.34Å; I183-A185 PolarHBondContact O-N 3.38Å; A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 3.23Å; A185-I219 HydrophobicContact CB-CG2 3.96Å; A185-I222 HydrophobicContact CB-CB 4.29Å; A185-I222 HydrophobicContact CB-CG2 3.96Å; A185-I222 WeakPolarHBondContact O-CD1 3.38Å; A185-I223 HydrophobicContact CB-CD1 4.49Å; A185-I223 HydrophobicContact CB-CG1 3.98Å |
| 186 | T | 91.4 | Very high | 89.1 | Confident | 32 Ų | 32 | 78.7 Ų | 78.7 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.3 | -34.5 | 176.7 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | R182 I183 Q184 A189 K190 I219 | R182-T186 HydrophobicContact CG-CG2 4.5Å; R182-T186 VanDerWaalsContact O-CG2 3.27Å; R182-T186 WeakPolarHBondContact O-CG2 3.39Å; R182-T186 PolarHBondContact O-N 2.89Å; R182-T186 PolarHBondContact O-OG1 2.91Å; I183-T186 WeakPolarHBondContact CA-OG1 3.46Å; I183-T186 PolarHBondContact O-N 3.34Å; I183-T186 VanDerWaalsContact O-N 3.08Å; I183-T186 PolarHBondContact O-OG1 3.07Å; Q184-T186 VanDerWaalsContact C-N 3.33Å; Q184-T186 PolarHBondContact O-N 3.45Å; T186-A189 PolarHBondContact O-N 3.08Å; T186-K190 VanDerWaalsContact O-CG 3.3Å; T186-K190 WeakPolarHBondContact O-CG 3.45Å; T186-K190 PolarHBondContact O-N 3.03Å; T186-I219 HydrophobicContact CG2-CD1 3.79Å; T186-I219 HydrophobicContact CG2-CG1 4.07Å |
| 187 | E | 91.9 | Very high | 87.5 | Confident | 100 Ų | 100 | 87.8 Ų | 87.8 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 174.6 | -73.3 | 169.9 | 178.1 | 0 | 0 | 110.2 | I183 Q184 A189 K190 E191 | I183-E187 WeakPolarHBondContact CG2-OE1 3.32Å; I183-E187 WeakPolarHBondContact O-CG 3.4Å; I183-E187 PolarHBondContact O-N 2.89Å; Q184-E187 PolarHBondContact O-N 3.33Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 2.89Å; E187-K190 WeakPolarHBondContact O-CB 3.19Å; E187-K190 PolarHBondContact O-N 2.65Å; E187-E191 WeakPolarHBondContact O-CG 3.48Å; E187-E191 PolarHBondContact O-N 2.98Å |
| 188 | I | 91.5 | Very high | 85.7 | Confident | 40 Ų | 40 | 88.5 Ų | 88.5 | 21% | 0.205 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 175.1 | -64.5 | 166.6 | 0 | 0 | 0 | 111 | Q184 K190 E191 Q192 I222 K226 | Q184-I188 VanDerWaalsContact O-CG1 3.3Å; Q184-I188 WeakPolarHBondContact O-CG1 3.4Å; Q184-I188 PolarHBondContact O-N 3.48Å; Q184-I188 VanDerWaalsContact O-N 3.08Å; I188-K190 VanDerWaalsContact C-N 3.31Å; I188-K190 PolarHBondContact O-N 3.4Å; I188-E191 PolarHBondContact O-N 3.42Å; I188-Q192 HydrophobicContact CG2-CG 4.37Å; I188-Q192 WeakPolarHBondContact O-CB 3.42Å; I188-Q192 VanDerWaalsContact O-CG 3.28Å; I188-Q192 WeakPolarHBondContact O-CG 3.46Å; I188-Q192 PolarHBondContact O-N 3.15Å; I188-I222 HydrophobicContact CB-CG2 4.05Å; I188-I222 HydrophobicContact CD1-CG2 4.21Å; I188-I222 HydrophobicContact CG2-CD1 4.45Å; I188-I222 HydrophobicContact CG2-CG2 3.84Å; I188-K226 HydrophobicContact CD1-CG 4.3Å |
| 189 | A | 90.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 96 Ų | 96 | 0% | 0 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A185 T186 E187 G193 L194 L195 I218 I222 | A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 3.23Å; T186-A189 PolarHBondContact O-N 3.08Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 2.89Å; A189-G193 PolarHBondContact O-N 3.26Å; A189-L194 PolarHBondContact O-N 3.02Å; A189-L195 HydrophobicContact CB-CD1 3.72Å; A189-L195 HydrophobicContact CB-CG 3.91Å; A189-I218 HydrophobicContact CB-CG2 4.08Å; A189-I222 HydrophobicContact CB-CD1 3.37Å |
| 190 | K | 90.4 | Very high | 81.8 | Confident | 146 Ų | 146 | 96.4 Ų | 96.4 | 64% | 0.635 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.5 | -44.2 | 175.9 | -72 | 172.6 | -173.8 | 171 | 0 | 111 | T186 E187 I188 Q192 G193 L195 | T186-K190 VanDerWaalsContact O-CG 3.3Å; T186-K190 WeakPolarHBondContact O-CG 3.45Å; T186-K190 PolarHBondContact O-N 3.03Å; E187-K190 WeakPolarHBondContact O-CB 3.19Å; E187-K190 PolarHBondContact O-N 2.65Å; I188-K190 VanDerWaalsContact C-N 3.31Å; I188-K190 PolarHBondContact O-N 3.4Å; K190-Q192 VanDerWaalsContact C-N 3.3Å; K190-Q192 PolarHBondContact O-N 3.37Å; K190-G193 PolarHBondContact O-N 3.43Å; K190-L195 HydrophobicContact CG-CD1 3.76Å |
| 191 | E | 90.8 | Very high | 79.6 | Confident | 160 Ų | 160 | 100.7 Ų | 100.7 | 75% | 0.748 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59 | -41.7 | 176 | -71.9 | 174.7 | 178 | 0 | 0 | 111.8 | E187 I188 G193 | E187-E191 WeakPolarHBondContact O-CG 3.48Å; E187-E191 PolarHBondContact O-N 2.98Å; I188-E191 PolarHBondContact O-N 3.42Å; E191-G193 PolarHBondContact O-N 2.97Å |
| 192 | Q | 88.6 | Confident | 77.9 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.5 | 177.6 | -67 | 177.6 | -3.4 | 0 | 0 | 113.5 | I188 K190 L194 | I188-Q192 HydrophobicContact CG2-CG 4.37Å; I188-Q192 WeakPolarHBondContact O-CB 3.42Å; I188-Q192 VanDerWaalsContact O-CG 3.28Å; I188-Q192 WeakPolarHBondContact O-CG 3.46Å; I188-Q192 PolarHBondContact O-N 3.15Å; K190-Q192 VanDerWaalsContact C-N 3.3Å; K190-Q192 PolarHBondContact O-N 3.37Å; Q192-L194 HydrophobicContact CB-CD1 3.94Å; Q192-L194 HydrophobicContact CB-CG 3.78Å; Q192-L194 PolarHBondContact O-N 2.88Å |
| 193 | G | 84.4 | Confident | 75.9 | Confident | 58 Ų | 58 | 104.1 Ų | 104.1 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 16.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | A189 K190 E191 | A189-G193 PolarHBondContact O-N 3.26Å; K190-G193 PolarHBondContact O-N 3.43Å; E191-G193 PolarHBondContact O-N 2.97Å |
| 194 | L | 81.2 | Confident | 74.3 | Confident | 82 Ų | 82 | 106.7 Ų | 106.7 | 43% | 0.429 | 54% | 0.541 | S | S | . | . | trans | -76.6 | -23.9 | -175.4 | -65.3 | 176.7 | 0 | 0 | 0 | 112.8 | A189 Q192 K196 I218 I222 | A189-L194 PolarHBondContact O-N 3.02Å; Q192-L194 HydrophobicContact CB-CD1 3.94Å; Q192-L194 HydrophobicContact CB-CG 3.78Å; Q192-L194 PolarHBondContact O-N 2.88Å; L194-K196 PolarHBondContact O-N 2.81Å; L194-I218 HydrophobicContact CB-CG2 4.03Å; L194-I218 HydrophobicContact CD1-CG2 4.25Å; L194-I222 HydrophobicContact CD1-CD1 4.5Å | ||
| 195 | L | 77.8 | Confident | 73.1 | Confident | 45 Ų | 45 | 111 Ų | 111 | 24% | 0.236 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -81.6 | 97.5 | 174 | -74.8 | 165.7 | 0 | 0 | 0 | 109.9 | A189 K190 K197 E215 | A189-L195 HydrophobicContact CB-CD1 3.72Å; A189-L195 HydrophobicContact CB-CG 3.91Å; K190-L195 HydrophobicContact CG-CD1 3.76Å; L195-K197 PolarHBondContact O-N 2.98Å; L195-E215 HydrophobicContact CD2-CB 4.43Å; L195-E215 HydrophobicContact CD2-CG 3.84Å |
| 196 | K | 68.3 | Low | 72.2 | Confident | 147 Ų | 147 | 114.1 Ų | 114.1 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | trans | -59.1 | 126.9 | 172.9 | -77.8 | -174.3 | 173.3 | -176.9 | 0 | 110.1 | L194 A198 E200 | L194-K196 PolarHBondContact O-N 2.81Å; K196-A198 PolarHBondContact O-N 3.47Å; K196-E200 IonicContact NZ-OE1 2.65Å; K196-E200 PolarHBondContact NZ-OE1 2.98Å | ||
| 197 | K | 57.6 | Low | 71.7 | Confident | 199 Ų | 199 | 114.8 Ų | 114.8 | 87% | 0.865 | 58% | 0.577 | S | S | * | * | trans | -69.9 | 126.1 | 163.2 | -73.1 | -177.5 | 179.2 | 176.2 | 0 | 108.1 | L195 K199 | L195-K197 PolarHBondContact O-N 2.98Å; K197-K199 VanDerWaalsContact C-N 3.3Å; K197-K199 PolarHBondContact O-N 3.35Å | ||
| 198 | A | 54.3 | Low | 71.2 | Confident | 105 Ų | 105 | 118.9 Ų | 118.9 | 87% | 0.868 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -54.6 | 73.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | K196 | K196-A198 PolarHBondContact O-N 3.47Š|
| 199 | K | 52.6 | Low | 70.9 | Confident | 190 Ų | 190 | 123.2 Ų | 123.2 | 83% | 0.826 | 61% | 0.613 | S | S | * | * | trans | -134.4 | 61.2 | 174.7 | -75.4 | -170.1 | 178 | 180 | 0 | 111.6 | K197 | K197-K199 VanDerWaalsContact C-N 3.3Å; K197-K199 PolarHBondContact O-N 3.35Å | ||
| 200 | E | 54.2 | Low | 70.7 | Confident | 102 Ų | 102 | 127.6 Ų | 127.6 | 48% | 0.477 | 63% | 0.633 | S | S | . | * | trans | -103.1 | 99.8 | 157.6 | -76.1 | 178.5 | -174.4 | 0 | 0 | 107.6 | K196 | K196-E200 IonicContact NZ-OE1 2.65Å; K196-E200 PolarHBondContact NZ-OE1 2.98Å | ||
| 201 | K | 46 | Very low | 70.5 | Confident | 218 Ų | 218 | 124 Ų | 124 | 95% | 0.948 | 62% | 0.62 | S | S | * | * | trans | -93.5 | 109.2 | 170.4 | -80.3 | -172.7 | 176.3 | -176 | 0 | 107.8 | ||||
| 202 | G | 54.8 | Low | 70.3 | Confident | 53 Ų | 53 | 123.2 Ų | 123.2 | 55% | 0.546 | 61% | 0.61 | S | S | . | * | S | Bend | trans | 169 | 171.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N204 K205 | G202-N204 PolarHBondContact O-N 3.21Å; G202-K205 PolarHBondContact O-N 3.42Å |
| 203 | K | 51.3 | Low | 70.3 | Confident | 223 Ų | 223 | 121.9 Ų | 121.9 | 97% | 0.97 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -58.9 | -12.2 | -177.9 | -81.8 | -179.7 | 172.9 | 179.6 | 0 | 114.9 | ||
| 204 | N | 58.4 | Low | 70.5 | Confident | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | trans | -104.2 | 55.4 | 175.2 | -72.9 | -8.5 | 0 | 0 | 0 | 111.8 | G202 K206 | G202-N204 PolarHBondContact O-N 3.21Å; N204-K206 PolarHBondContact O-N 3.46Å | ||
| 205 | K | 66.9 | Low | 70.9 | Confident | 178 Ų | 178 | 123 Ų | 123 | 77% | 0.774 | 59% | 0.594 | S | S | * | * | trans | -78.9 | 108.5 | 174.5 | -172.1 | -179.5 | 179.5 | -175.3 | 0 | 108.7 | G202 | G202-K205 PolarHBondContact O-N 3.42Š| ||
| 206 | K | 72 | Confident | 71.5 | Confident | 71 Ų | 71 | 124.6 Ų | 124.6 | 31% | 0.309 | 60% | 0.6 | S | S | . | * | trans | -54.8 | 145.5 | 173 | -64.4 | -172.1 | -171.7 | -176.9 | 0 | 111 | N204 E210 I211 E214 | N204-K206 PolarHBondContact O-N 3.46Å; K206-E210 WeakPolarHBondContact CA-OE2 3.49Å; K206-E210 HydrophobicContact CB-CB 4.28Å; K206-E210 WeakPolarHBondContact CB-OE2 3.34Å; K206-I211 HydrophobicContact CB-CD1 4.47Å; K206-I211 HydrophobicContact CB-CG1 4.04Å; K206-E214 WeakPolarHBondContact CD-OE1 3.49Å; K206-E214 IonicContact NZ-OE1 3.63Å; K206-E214 PolarHBondContact NZ-OE1 3.45Å; K206-E214 IonicContact NZ-OE2 2.72Å; K206-E214 PolarHBondContact NZ-OE2 2.82Å | ||
| 207 | S | 81.3 | Confident | 72.6 | Confident | 46 Ų | 46 | 121.8 Ų | 121.8 | 32% | 0.322 | 59% | 0.592 | S | S | . | * | trans | -65.1 | 155.9 | 177.8 | 73 | 0 | 0 | 0 | 0 | 110.6 | E209 E210 I211 | S207-E209 PolarHBondContact O-N 2.95Å; S207-E210 WeakPolarHBondContact CB-OE1 3.43Å; S207-E210 PolarHBondContact N-OE2 3.37Å; S207-E210 VanDerWaalsContact N-OE2 3.08Å; S207-E210 PolarHBondContact O-N 3.28Å; S207-E210 WeakPolarHBondContact OG-CB 3.4Å; S207-E210 WeakPolarHBondContact OG-CG 3.3Å; S207-E210 PolarHBondContact OG-N 3.22Å; S207-E210 VanDerWaalsContact OG-N 3.15Å; S207-E210 PolarHBondContact OG-OE1 3.43Å; S207-I211 WeakPolarHBondContact O-CG1 3.4Å; S207-I211 PolarHBondContact O-N 3.47Å; S207-I211 VanDerWaalsContact O-N 3.1Å | ||
| 208 | K | 82.4 | Confident | 74.3 | Confident | 186 Ų | 186 | 114.2 Ų | 114.2 | 81% | 0.809 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.9 | -31 | 177.7 | -178.1 | 179.4 | 174.9 | -175.8 | 0 | 111.6 | R212 | K208-R212 PolarHBondContact O-N 2.9Å |
| 209 | E | 85.8 | Confident | 76 | Confident | 131 Ų | 131 | 109.8 Ų | 109.8 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72 | -46 | 177.4 | -65.4 | -179.2 | 170.9 | 0 | 0 | 111.1 | S207 I211 R212 D213 | S207-E209 PolarHBondContact O-N 2.95Å; E209-I211 VanDerWaalsContact C-N 3.3Å; E209-I211 PolarHBondContact O-N 3.27Å; E209-R212 WeakPolarHBondContact O-CB 3.38Å; E209-R212 PolarHBondContact O-N 2.7Å; E209-R212 VanDerWaalsContact O-N 3.08Å; E209-D213 VanDerWaalsContact O-CG 3.26Å; E209-D213 PolarHBondContact O-N 2.95Å |
| 210 | E | 86.3 | Confident | 78 | Confident | 92 Ų | 92 | 102.8 Ų | 102.8 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.5 | -41.9 | 174.7 | -76.6 | 155.3 | -139.2 | 0 | 0 | 112.5 | K206 S207 R212 D213 E214 | K206-E210 WeakPolarHBondContact CA-OE2 3.49Å; K206-E210 HydrophobicContact CB-CB 4.28Å; K206-E210 WeakPolarHBondContact CB-OE2 3.34Å; S207-E210 WeakPolarHBondContact CB-OE1 3.43Å; S207-E210 PolarHBondContact N-OE2 3.37Å; S207-E210 VanDerWaalsContact N-OE2 3.08Å; S207-E210 PolarHBondContact O-N 3.28Å; S207-E210 WeakPolarHBondContact OG-CB 3.4Å; S207-E210 WeakPolarHBondContact OG-CG 3.3Å; S207-E210 PolarHBondContact OG-N 3.22Å; S207-E210 VanDerWaalsContact OG-N 3.15Å; S207-E210 PolarHBondContact OG-OE1 3.43Å; E210-R212 VanDerWaalsContact C-N 3.33Å; E210-R212 PolarHBondContact O-N 2.94Å; E210-D213 PolarHBondContact O-N 3.47Å; E210-E214 WeakPolarHBondContact O-CB 3.47Å; E210-E214 WeakPolarHBondContact O-CG 3.08Å; E210-E214 PolarHBondContact O-N 3.44Å |
| 211 | I | 85.3 | Confident | 79.8 | Confident | 70 Ų | 70 | 102.3 Ų | 102.3 | 36% | 0.359 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.3 | -64.2 | 166.5 | 0 | 0 | 0 | 110.3 | K206 S207 E209 D213 E214 E215 | K206-I211 HydrophobicContact CB-CD1 4.47Å; K206-I211 HydrophobicContact CB-CG1 4.04Å; S207-I211 WeakPolarHBondContact O-CG1 3.4Å; S207-I211 PolarHBondContact O-N 3.47Å; S207-I211 VanDerWaalsContact O-N 3.1Å; E209-I211 VanDerWaalsContact C-N 3.3Å; E209-I211 PolarHBondContact O-N 3.27Å; I211-D213 VanDerWaalsContact C-N 3.34Å; I211-E214 PolarHBondContact O-N 3.43Å; I211-E215 WeakPolarHBondContact O-CG 3.13Å; I211-E215 PolarHBondContact O-N 3.29Å |
| 212 | R | 87.1 | Confident | 82 | Confident | 144 Ų | 144 | 92.2 Ų | 92.2 | 54% | 0.543 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.8 | -174.5 | -173.8 | 67.7 | -170 | -4.6 | 111.4 | K208 E209 E210 E214 E215 E216 | K208-R212 PolarHBondContact O-N 2.9Å; E209-R212 WeakPolarHBondContact O-CB 3.38Å; E209-R212 PolarHBondContact O-N 2.7Å; E209-R212 VanDerWaalsContact O-N 3.08Å; E210-R212 VanDerWaalsContact C-N 3.33Å; E210-R212 PolarHBondContact O-N 2.94Å; R212-E214 VanDerWaalsContact C-N 3.34Å; R212-E215 PolarHBondContact O-N 3.44Å; R212-E216 WeakPolarHBondContact O-CB 3.28Å; R212-E216 PolarHBondContact O-N 2.93Å |
| 213 | D | 89.3 | Confident | 83.7 | Confident | 72 Ų | 72 | 89.8 Ų | 89.8 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70 | -34.2 | -179.3 | -64.8 | -7.7 | 0 | 0 | 0 | 111 | E209 E210 I211 E216 N217 | E209-D213 VanDerWaalsContact O-CG 3.26Å; E209-D213 PolarHBondContact O-N 2.95Å; E210-D213 PolarHBondContact O-N 3.47Å; I211-D213 VanDerWaalsContact C-N 3.34Å; D213-E216 PolarHBondContact O-N 2.8Å; D213-N217 VanDerWaalsContact O-CB 3.3Å; D213-N217 WeakPolarHBondContact O-CB 3.33Å; D213-N217 PolarHBondContact O-N 2.99Å; D213-N217 PolarHBondContact O-ND2 3.17Å; D213-N217 VanDerWaalsContact O-ND2 3.07Å |
| 214 | E | 88.6 | Confident | 85.6 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 170.6 | -78.6 | 178.2 | -172.5 | 0 | 0 | 111.9 | K206 E210 I211 R212 E216 N217 I218 | K206-E214 WeakPolarHBondContact CD-OE1 3.49Å; K206-E214 IonicContact NZ-OE1 3.63Å; K206-E214 PolarHBondContact NZ-OE1 3.45Å; K206-E214 IonicContact NZ-OE2 2.72Å; K206-E214 PolarHBondContact NZ-OE2 2.82Å; E210-E214 WeakPolarHBondContact O-CB 3.47Å; E210-E214 WeakPolarHBondContact O-CG 3.08Å; E210-E214 PolarHBondContact O-N 3.44Å; I211-E214 PolarHBondContact O-N 3.43Å; R212-E214 VanDerWaalsContact C-N 3.34Å; E214-E216 VanDerWaalsContact C-N 3.31Å; E214-E216 PolarHBondContact O-N 2.89Å; E214-N217 PolarHBondContact O-N 2.9Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.49Å; E214-I218 PolarHBondContact O-N 3.23Å |
| 215 | E | 88.4 | Confident | 87 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 38% | 0.383 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 174.8 | -71.4 | 179.9 | 174 | 0 | 0 | 111.5 | L195 I211 R212 I218 I219 | L195-E215 HydrophobicContact CD2-CB 4.43Å; L195-E215 HydrophobicContact CD2-CG 3.84Å; I211-E215 WeakPolarHBondContact O-CG 3.13Å; I211-E215 PolarHBondContact O-N 3.29Å; R212-E215 PolarHBondContact O-N 3.44Å; E215-I218 PolarHBondContact O-N 3.12Å; E215-I219 VanDerWaalsContact O-CG1 3.28Å; E215-I219 WeakPolarHBondContact O-CG1 3.39Å; E215-I219 PolarHBondContact O-N 3.04Å |
| 216 | E | 91.1 | Very high | 88 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.8 | -168.1 | 177.7 | 153 | 0 | 0 | 111.9 | R212 D213 E214 I219 K220 | R212-E216 WeakPolarHBondContact O-CB 3.28Å; R212-E216 PolarHBondContact O-N 2.93Å; D213-E216 PolarHBondContact O-N 2.8Å; E214-E216 VanDerWaalsContact C-N 3.31Å; E214-E216 PolarHBondContact O-N 2.89Å; E216-I219 PolarHBondContact O-N 3.28Å; E216-K220 HydrophobicContact CG-CD 4.4Å; E216-K220 WeakPolarHBondContact O-CB 3.34Å; E216-K220 WeakPolarHBondContact O-CG 3.5Å; E216-K220 PolarHBondContact O-N 3.08Å; E216-K220 WeakPolarHBondContact OE1-CE 3.48Å; E216-K220 IonicContact OE1-NZ 2.86Å; E216-K220 PolarHBondContact OE1-NZ 3.24Å |
| 217 | N | 91.9 | Very high | 88.6 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 47% | 0.471 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 175.5 | -75 | -30.9 | 0 | 0 | 0 | 112.1 | D213 E214 K220 N221 | D213-N217 VanDerWaalsContact O-CB 3.3Å; D213-N217 WeakPolarHBondContact O-CB 3.33Å; D213-N217 PolarHBondContact O-N 2.99Å; D213-N217 PolarHBondContact O-ND2 3.17Å; D213-N217 VanDerWaalsContact O-ND2 3.07Å; E214-N217 PolarHBondContact O-N 2.9Å; N217-K220 PolarHBondContact O-N 2.87Å; N217-N221 WeakPolarHBondContact O-CB 3.48Å; N217-N221 PolarHBondContact O-N 3.25Å; N217-N221 PolarHBondContact O-ND2 2.91Å |
| 218 | I | 92.3 | Very high | 88.6 | Confident | 40 Ų | 40 | 79.5 Ų | 79.5 | 21% | 0.205 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.9 | -49 | 173.5 | -69.1 | 162.8 | 0 | 0 | 0 | 110 | A189 L194 E214 E215 K220 N221 I222 | A189-I218 HydrophobicContact CB-CG2 4.08Å; L194-I218 HydrophobicContact CB-CG2 4.03Å; L194-I218 HydrophobicContact CD1-CG2 4.25Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.49Å; E214-I218 PolarHBondContact O-N 3.23Å; E215-I218 PolarHBondContact O-N 3.12Å; I218-K220 PolarHBondContact O-N 3.15Å; I218-N221 PolarHBondContact O-N 3.1Å; I218-I222 HydrophobicContact CG2-CD1 3.91Å; I218-I222 WeakPolarHBondContact O-CG1 3.33Å; I218-I222 PolarHBondContact O-N 2.73Å |
| 219 | I | 90.8 | Very high | 88.6 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 177.9 | -69.2 | 166 | 0 | 0 | 0 | 110.5 | A176 A185 T186 E215 E216 N221 I222 I223 | A176-I219 HydrophobicContact CB-CG2 4.43Å; A185-I219 HydrophobicContact CB-CG2 3.96Å; T186-I219 HydrophobicContact CG2-CD1 3.79Å; T186-I219 HydrophobicContact CG2-CG1 4.07Å; E215-I219 VanDerWaalsContact O-CG1 3.28Å; E215-I219 WeakPolarHBondContact O-CG1 3.39Å; E215-I219 PolarHBondContact O-N 3.04Å; E216-I219 PolarHBondContact O-N 3.28Å; I219-N221 VanDerWaalsContact C-N 3.31Å; I219-N221 PolarHBondContact O-N 3.35Å; I219-I222 PolarHBondContact O-N 2.95Å; I219-I223 HydrophobicContact CG2-CD1 3.89Å; I219-I223 VanDerWaalsContact O-CG1 3.32Å; I219-I223 WeakPolarHBondContact O-CG1 3.49Å; I219-I223 PolarHBondContact O-N 3.47Å |
| 220 | K | 93.6 | Very high | 88.2 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 19% | 0.191 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 177.2 | -74.8 | 173.7 | -176.6 | 163 | 0 | 111.9 | I172 A176 E216 N217 I218 I223 K224 | I172-K220 HydrophobicContact CG2-CB 3.97Å; I172-K220 HydrophobicContact CG2-CG 4Å; A176-K220 HydrophobicContact CB-CG 4.22Å; E216-K220 HydrophobicContact CG-CD 4.4Å; E216-K220 WeakPolarHBondContact O-CB 3.34Å; E216-K220 WeakPolarHBondContact O-CG 3.5Å; E216-K220 PolarHBondContact O-N 3.08Å; E216-K220 WeakPolarHBondContact OE1-CE 3.48Å; E216-K220 IonicContact OE1-NZ 2.86Å; E216-K220 PolarHBondContact OE1-NZ 3.24Å; N217-K220 PolarHBondContact O-N 2.87Å; I218-K220 PolarHBondContact O-N 3.15Å; K220-I223 PolarHBondContact O-N 2.99Å; K220-K224 VanDerWaalsContact O-CG 3.25Å; K220-K224 WeakPolarHBondContact O-CG 3.45Å; K220-K224 PolarHBondContact O-N 2.98Å |
| 221 | N | 92.6 | Very high | 87.8 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 178.8 | -73.2 | -21.8 | 0 | 0 | 0 | 112.3 | N217 I218 I219 K224 S225 | N217-N221 WeakPolarHBondContact O-CB 3.48Å; N217-N221 PolarHBondContact O-N 3.25Å; N217-N221 PolarHBondContact O-ND2 2.91Å; I218-N221 PolarHBondContact O-N 3.1Å; I219-N221 VanDerWaalsContact C-N 3.31Å; I219-N221 PolarHBondContact O-N 3.35Å; N221-K224 PolarHBondContact O-N 3.49Å; N221-S225 PolarHBondContact O-N 3.39Å; N221-S225 PolarHBondContact O-OG 3.3Å |
| 222 | I | 91.8 | Very high | 87.3 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 174.6 | -68 | 167 | 0 | 0 | 0 | 110 | A185 I188 A189 L194 I218 I219 K224 S225 K226 | A185-I222 HydrophobicContact CB-CB 4.29Å; A185-I222 HydrophobicContact CB-CG2 3.96Å; A185-I222 WeakPolarHBondContact O-CD1 3.38Å; I188-I222 HydrophobicContact CB-CG2 4.05Å; I188-I222 HydrophobicContact CD1-CG2 4.21Å; I188-I222 HydrophobicContact CG2-CD1 4.45Å; I188-I222 HydrophobicContact CG2-CG2 3.84Å; A189-I222 HydrophobicContact CB-CD1 3.37Å; L194-I222 HydrophobicContact CD1-CD1 4.5Å; I218-I222 HydrophobicContact CG2-CD1 3.91Å; I218-I222 WeakPolarHBondContact O-CG1 3.33Å; I218-I222 PolarHBondContact O-N 2.73Å; I219-I222 PolarHBondContact O-N 2.95Å; I222-K224 VanDerWaalsContact C-N 3.34Å; I222-K224 PolarHBondContact O-N 3.45Å; I222-S225 PolarHBondContact O-N 3.21Å; I222-S225 PolarHBondContact O-OG 2.84Å; I222-K226 HydrophobicContact CG2-CG 4.27Å; I222-K226 WeakPolarHBondContact O-CB 3.45Å; I222-K226 PolarHBondContact O-N 3.49Å |
| 223 | I | 90.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.9 | -48.8 | 174.5 | -70.5 | 172.6 | 0 | 0 | 0 | 110.5 | I172 L175 A176 A185 I219 K220 S225 K226 I227 | I172-I223 HydrophobicContact CD1-CG2 3.71Å; I172-I223 HydrophobicContact CG2-CG2 4.43Å; L175-I223 HydrophobicContact CB-CD1 4.44Å; L175-I223 HydrophobicContact CB-CG2 4Å; L175-I223 HydrophobicContact CD1-CG2 4.09Å; A176-I223 HydrophobicContact CB-CD1 3.89Å; A185-I223 HydrophobicContact CB-CD1 4.49Å; A185-I223 HydrophobicContact CB-CG1 3.98Å; I219-I223 HydrophobicContact CG2-CD1 3.89Å; I219-I223 VanDerWaalsContact O-CG1 3.32Å; I219-I223 WeakPolarHBondContact O-CG1 3.49Å; I219-I223 PolarHBondContact O-N 3.47Å; K220-I223 PolarHBondContact O-N 2.99Å; I223-S225 PolarHBondContact O-N 3.44Å; I223-K226 PolarHBondContact O-N 3.39Å; I223-I227 HydrophobicContact CG1-CD1 4.38Å; I223-I227 HydrophobicContact CG2-CD1 4.02Å; I223-I227 HydrophobicContact CG2-CG1 4.43Å; I223-I227 WeakPolarHBondContact O-CB 3.49Å; I223-I227 PolarHBondContact O-N 3.34Å |
| 224 | K | 90.6 | Very high | 87 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.8 | -33.8 | 177.1 | -73.7 | 174 | -177 | 175.8 | 0 | 113.4 | Y168 I172 K220 N221 I222 | Y168-K224 HydrophobicContact CE1-CG 4.46Å; I172-K224 HydrophobicContact CD1-CB 4.4Å; I172-K224 HydrophobicContact CD1-CG 3.62Å; I172-K224 HydrophobicContact CG1-CG 3.96Å; I172-K224 HydrophobicContact CG2-CG 4.14Å; K220-K224 VanDerWaalsContact O-CG 3.25Å; K220-K224 WeakPolarHBondContact O-CG 3.45Å; K220-K224 PolarHBondContact O-N 2.98Å; N221-K224 PolarHBondContact O-N 3.49Å; I222-K224 VanDerWaalsContact C-N 3.34Å; I222-K224 PolarHBondContact O-N 3.45Å |
| 225 | S | 88.5 | Confident | 87 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 57% | 0.566 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -87.8 | -30.2 | -175.5 | 72.3 | 0 | 0 | 0 | 0 | 114.1 | N221 I222 I223 | N221-S225 PolarHBondContact O-N 3.39Å; N221-S225 PolarHBondContact O-OG 3.3Å; I222-S225 PolarHBondContact O-N 3.21Å; I222-S225 PolarHBondContact O-OG 2.84Å; I223-S225 PolarHBondContact O-N 3.44Å |
| 226 | K | 86.8 | Confident | 87 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 59% | 0.591 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -107.8 | -23.4 | -171.4 | -65.5 | -59.5 | -172.5 | 177.5 | 0 | 113.8 | I188 I222 I223 | I188-K226 HydrophobicContact CD1-CG 4.3Å; I222-K226 HydrophobicContact CG2-CG 4.27Å; I222-K226 WeakPolarHBondContact O-CB 3.45Å; I222-K226 PolarHBondContact O-N 3.49Å; I223-K226 PolarHBondContact O-N 3.39Å |
| 227 | I | 85.1 | Confident | 86.8 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 23% | 0.226 | 36% | 0.355 | C | S | . | . | trans | -100.8 | 114.1 | 179.5 | -54.7 | -169 | 0 | 0 | 0 | 108.8 | L175 Y181 I223 I229 | L175-I227 HydrophobicContact CD1-CG2 4.3Å; Y181-I227 HydrophobicContact CD1-CD1 3.5Å; Y181-I227 HydrophobicContact CE1-CD1 4.14Å; Y181-I227 HydrophobicContact CG-CD1 3.9Å; I223-I227 HydrophobicContact CG1-CD1 4.38Å; I223-I227 HydrophobicContact CG2-CD1 4.02Å; I223-I227 HydrophobicContact CG2-CG1 4.43Å; I223-I227 WeakPolarHBondContact O-CB 3.49Å; I223-I227 PolarHBondContact O-N 3.34Å; I227-I229 HydrophobicContact CG2-CG1 4.11Å; I227-I229 PolarHBondContact O-N 3.38Å | ||
| 228 | D | 82.4 | Confident | 86.6 | Confident | 110 Ų | 110 | 67 Ų | 67 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | trans | -79.6 | 101.5 | 169.7 | -173.1 | 23.8 | 0 | 0 | 0 | 109.4 | K230 | D228-K230 PolarHBondContact O-N 3.07Å; D228-K230 WeakPolarHBondContact OD2-CE 3.43Å | ||
| 229 | I | 82.1 | Confident | 86.2 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | trans | -83 | 106.1 | 177.7 | -54.9 | 175.9 | 0 | 0 | 0 | 107.9 | Y168 A171 I172 L175 I227 Y233 Q234 | Y168-I229 HydrophobicContact CE2-CD1 4.16Å; A171-I229 HydrophobicContact CB-CD1 4.35Å; I172-I229 HydrophobicContact CD1-CD1 3.48Å; I172-I229 VanDerWaalsContact CD1-CD1 3.48Å; I172-I229 HydrophobicContact CG1-CD1 4.14Å; L175-I229 HydrophobicContact CD1-CD1 3.59Å; L175-I229 HydrophobicContact CD1-CG1 3.98Å; I227-I229 HydrophobicContact CG2-CG1 4.11Å; I227-I229 PolarHBondContact O-N 3.38Å; I229-Y233 VanDerWaalsContact CG2-O 3.29Å; I229-Y233 WeakPolarHBondContact CG2-O 3.18Å; I229-Q234 VanDerWaalsContact O-CA 3.3Å; I229-Q234 WeakPolarHBondContact O-CA 3.44Å; I229-Q234 WeakPolarHBondContact O-CB 3.36Å; I229-Q234 WeakPolarHBondContact O-CG 3.48Å | ||
| 230 | K | 77.9 | Confident | 86 | Confident | 102 Ų | 102 | 76.7 Ų | 76.7 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | trans | -88.7 | 154.3 | 177.8 | -60.2 | -174.1 | -179.8 | -178.8 | 0 | 111.6 | D228 D295 | D228-K230 PolarHBondContact O-N 3.07Å; D228-K230 WeakPolarHBondContact OD2-CE 3.43Å; K230-D295 PolarHBondContact NZ-O 3.36Å | ||
| 231 | G | 76.1 | Confident | 85.9 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 88.5 | -150.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y233 Q234 | G231-Y233 PolarHBondContact O-N 2.9Å; G231-Q234 WeakPolarHBondContact O-CB 3.42Å; G231-Q234 PolarHBondContact O-N 3.23Å |
| 232 | G | 75.6 | Confident | 85.8 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 67% | 0.67 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -2.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 233 | Y | 84.4 | Confident | 85.8 | Confident | 133 Ų | 133 | 75.3 Ų | 75.3 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 17.4 | 177 | -62.1 | -82.5 | 0 | 0 | 0 | 112.2 | S167 Y168 A171 I229 G231 | S167-Y233 WeakPolarHBondContact O-CD1 3.45Å; Y168-Y233 VanDerWaalsContact CD2-O 3.29Å; Y168-Y233 WeakPolarHBondContact CD2-O 3.48Å; A171-Y233 HydrophobicContact CB-CD1 3.85Å; A171-Y233 HydrophobicContact CB-CG 4.03Å; I229-Y233 VanDerWaalsContact CG2-O 3.29Å; I229-Y233 WeakPolarHBondContact CG2-O 3.18Å; G231-Y233 PolarHBondContact O-N 2.9Å |
| 234 | Q | 86.1 | Confident | 85.8 | Confident | 74 Ų | 74 | 79 Ų | 79 | 35% | 0.346 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -67.6 | 156 | 177.7 | -171.6 | 173.6 | -6.7 | 0 | 0 | 111.3 | I229 G231 | I229-Q234 VanDerWaalsContact O-CA 3.3Å; I229-Q234 WeakPolarHBondContact O-CA 3.44Å; I229-Q234 WeakPolarHBondContact O-CB 3.36Å; I229-Q234 WeakPolarHBondContact O-CG 3.48Å; G231-Q234 WeakPolarHBondContact O-CB 3.42Å; G231-Q234 PolarHBondContact O-N 3.23Å |
| 235 | K | 87.7 | Confident | 85.8 | Confident | 128 Ų | 128 | 80.1 Ų | 80.1 | 56% | 0.557 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 125.6 | 172.7 | -175.8 | 179 | 178.3 | -178.2 | 0 | 109.3 | Y168 Q237 | Y168-K235 HydrophobicContact CD2-CB 4.14Å; Y168-K235 HydrophobicContact CE2-CB 3.79Å; K235-Q237 PolarHBondContact O-N 3.49Å |
| 236 | P | 88 | Confident | 85.9 | Confident | 16 Ų | 16 | 80.2 Ų | 80.2 | 10% | 0.104 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 127.2 | -176.4 | 24.4 | -32.6 | 0 | 0 | 0 | 110.3 | Y161 W164 W165 | Y161-P236 HydrophobicContact CD2-CB 4Å; Y161-P236 HydrophobicContact CD2-CG 4.49Å; Y161-P236 HydrophobicContact CE2-CB 3.88Å; Y161-P236 HydrophobicContact CE2-CG 4Å; W164-P236 HydrophobicContact CB-CB 4.02Å; W164-P236 HydrophobicContact CE3-CB 4.37Å; W165-P236 HydrophobicContact CB-CG 4.36Å; W165-P236 HydrophobicContact CE3-CG 3.74Å |
| 237 | Q | 87.9 | Confident | 86.2 | Confident | 93 Ų | 93 | 78.8 Ų | 78.8 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 142.1 | 172 | -52.5 | -168.2 | 2.7 | 0 | 0 | 109.6 | K235 R239 D240 | K235-Q237 PolarHBondContact O-N 3.49Å; Q237-R239 PolarHBondContact O-N 3.43Å; Q237-D240 WeakPolarHBondContact CB-OD2 3.34Å; Q237-D240 PolarHBondContact O-N 2.86Å |
| 238 | V | 87.1 | Confident | 86.5 | Confident | 79 Ų | 79 | 79.9 Ų | 79.9 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -63.9 | -31.1 | -179.6 | -178 | 0 | 0 | 0 | 0 | 111.4 | D240 L241 F244 | V238-D240 VanDerWaalsContact C-N 3.26Å; V238-D240 PolarHBondContact O-N 2.95Å; V238-L241 HydrophobicContact CG1-CD1 4.18Å; V238-L241 WeakPolarHBondContact O-CB 3.41Å; V238-L241 WeakPolarHBondContact O-CG 3.31Å; V238-L241 PolarHBondContact O-N 2.89Å; V238-F244 HydrophobicContact CG1-CD2 3.73Å; V238-F244 HydrophobicContact CG1-CE1 4.41Å; V238-F244 HydrophobicContact CG1-CE2 3.23Å; V238-F244 HydrophobicContact CG1-CG 4.49Å; V238-F244 HydrophobicContact CG1-CZ 3.62Å; V238-F244 WeakPolarHBondContact O-CD2 3.4Å |
| 239 | R | 85.4 | Confident | 87 | Confident | 191 Ų | 191 | 76.9 Ų | 76.9 | 72% | 0.721 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -66.7 | -27.7 | 178.8 | -61.4 | -179.6 | -178.1 | -175.8 | 0.1 | 113.1 | Q237 L241 | Q237-R239 PolarHBondContact O-N 3.43Å; R239-L241 VanDerWaalsContact C-N 3.28Å |
| 240 | D | 86.2 | Confident | 87.6 | Confident | 65 Ų | 65 | 79.5 Ų | 79.5 | 35% | 0.348 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -82.8 | -8.6 | -178.3 | -61.7 | -28.6 | 0 | 0 | 0 | 112.4 | W164 Q237 V238 Q245 | W164-D240 HydrophobicContact CH2-CB 4.3Å; W164-D240 WeakPolarHBondContact CH2-O 3.45Å; W164-D240 HydrophobicContact CZ3-CB 4.03Å; Q237-D240 WeakPolarHBondContact CB-OD2 3.34Å; Q237-D240 PolarHBondContact O-N 2.86Å; V238-D240 VanDerWaalsContact C-N 3.26Å; V238-D240 PolarHBondContact O-N 2.95Å; D240-Q245 PolarHBondContact O-NE2 2.89Å; D240-Q245 VanDerWaalsContact O-NE2 3.1Å |
| 241 | L | 90.5 | Very high | 88.4 | Confident | 17 Ų | 17 | 81.3 Ų | 81.3 | 9% | 0.089 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -67.9 | 142.1 | 177.1 | -63 | 172.6 | 0 | 0 | 0 | 110.9 | Y161 W164 V238 R239 L243 F244 Q245 | Y161-L241 HydrophobicContact CD2-CD1 4.35Å; Y161-L241 HydrophobicContact CD2-CD2 4.15Å; Y161-L241 HydrophobicContact CG-CD2 4.43Å; W164-L241 HydrophobicContact CE3-CD2 4.3Å; W164-L241 HydrophobicContact CZ3-CD2 3.94Å; V238-L241 HydrophobicContact CG1-CD1 4.18Å; V238-L241 WeakPolarHBondContact O-CB 3.41Å; V238-L241 WeakPolarHBondContact O-CG 3.31Å; V238-L241 PolarHBondContact O-N 2.89Å; R239-L241 VanDerWaalsContact C-N 3.28Å; L241-L243 PolarHBondContact O-N 2.93Å; L241-L243 VanDerWaalsContact O-N 3.15Å; L241-F244 HydrophobicContact CB-CD2 4.14Å; L241-F244 HydrophobicContact CD1-CD2 4.33Å; L241-F244 HydrophobicContact CD1-CE2 4.39Å; L241-F244 PolarHBondContact O-N 3.18Å; L241-Q245 WeakPolarHBondContact O-CG 3.38Å; L241-Q245 PolarHBondContact O-N 2.76Å |
| 242 | L | 91.1 | Very high | 89.1 | Confident | 47 Ų | 47 | 84 Ų | 84 | 25% | 0.246 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -52.7 | -41.5 | -178 | -170.6 | 154.2 | 0 | 0 | 0 | 112.3 | V153 I156 F244 Q245 V246 | V153-L242 HydrophobicContact CB-CD2 4.21Å; V153-L242 HydrophobicContact CG1-CD2 3.57Å; V153-L242 HydrophobicContact CG2-CD2 3.94Å; I156-L242 HydrophobicContact CG2-CD1 4.18Å; L242-F244 PolarHBondContact O-N 3.22Å; L242-Q245 PolarHBondContact O-N 3.07Å; L242-V246 HydrophobicContact CD2-CG2 3.8Å; L242-V246 WeakPolarHBondContact O-CG2 3.31Å; L242-V246 PolarHBondContact O-N 3.43Å |
| 243 | L | 91.3 | Very high | 90 | Very high | 49 Ų | 49 | 85.9 Ų | 85.9 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.2 | -50 | 176.2 | 179.3 | 66.5 | 0 | 0 | 0 | 112.4 | V153 S157 L241 V246 I247 | V153-L243 HydrophobicContact CG1-CB 4.21Å; V153-L243 HydrophobicContact CG1-CD1 3.84Å; S157-L243 WeakPolarHBondContact OG-CB 3.29Å; S157-L243 PolarHBondContact OG-N 3.44Å; L241-L243 PolarHBondContact O-N 2.93Å; L241-L243 VanDerWaalsContact O-N 3.15Å; L243-V246 PolarHBondContact O-N 3.13Å; L243-I247 HydrophobicContact CD1-CD1 4.18Å; L243-I247 HydrophobicContact CG-CD1 4.1Å; L243-I247 WeakPolarHBondContact O-CD1 3.34Å; L243-I247 VanDerWaalsContact O-CG1 3.28Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 3.26Å; L243-I247 VanDerWaalsContact O-N 3.14Å |
| 244 | F | 90.8 | Very high | 90.5 | Very high | 78 Ų | 78 | 83.5 Ų | 83.5 | 34% | 0.342 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.6 | -33.7 | -179.2 | -71.8 | -83.7 | 0 | 0 | 0 | 111.8 | V238 L241 L242 I247 L248 | V238-F244 HydrophobicContact CG1-CD2 3.73Å; V238-F244 HydrophobicContact CG1-CE1 4.41Å; V238-F244 HydrophobicContact CG1-CE2 3.23Å; V238-F244 HydrophobicContact CG1-CG 4.49Å; V238-F244 HydrophobicContact CG1-CZ 3.62Å; V238-F244 WeakPolarHBondContact O-CD2 3.4Å; L241-F244 HydrophobicContact CB-CD2 4.14Å; L241-F244 HydrophobicContact CD1-CD2 4.33Å; L241-F244 HydrophobicContact CD1-CE2 4.39Å; L241-F244 PolarHBondContact O-N 3.18Å; L242-F244 PolarHBondContact O-N 3.22Å; F244-I247 PolarHBondContact O-N 2.99Å; F244-L248 WeakPolarHBondContact O-CB 3.29Å; F244-L248 VanDerWaalsContact O-CG 3.3Å; F244-L248 WeakPolarHBondContact O-CG 3.5Å; F244-L248 PolarHBondContact O-N 3.42Å |
| 245 | Q | 90.8 | Very high | 90.8 | Very high | 103 Ų | 103 | 82.5 Ų | 82.5 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 172.8 | -69.6 | -178.3 | -11.3 | 0 | 0 | 111.8 | D240 L241 L242 L248 A249 | D240-Q245 PolarHBondContact O-NE2 2.89Å; D240-Q245 VanDerWaalsContact O-NE2 3.1Å; L241-Q245 WeakPolarHBondContact O-CG 3.38Å; L241-Q245 PolarHBondContact O-N 2.76Å; L242-Q245 PolarHBondContact O-N 3.07Å; Q245-L248 PolarHBondContact O-N 3.42Å; Q245-A249 WeakPolarHBondContact O-CA 3.33Å; Q245-A249 WeakPolarHBondContact O-CB 3.26Å; Q245-A249 PolarHBondContact O-N 3.36Å |
| 246 | V | 91.6 | Very high | 91.1 | Very high | 83 Ų | 83 | 82.1 Ų | 82.1 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L242 L243 | L242-V246 HydrophobicContact CD2-CG2 3.8Å; L242-V246 WeakPolarHBondContact O-CG2 3.31Å; L242-V246 PolarHBondContact O-N 3.43Å; L243-V246 PolarHBondContact O-N 3.13Å |
| 247 | I | 91.4 | Very high | 91.4 | Very high | 106 Ų | 106 | 85.5 Ų | 85.5 | 54% | 0.544 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 178.5 | -67.8 | 166 | 0 | 0 | 0 | 111.4 | L243 F244 P250 | L243-I247 HydrophobicContact CD1-CD1 4.18Å; L243-I247 HydrophobicContact CG-CD1 4.1Å; L243-I247 WeakPolarHBondContact O-CD1 3.34Å; L243-I247 VanDerWaalsContact O-CG1 3.28Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 3.26Å; L243-I247 VanDerWaalsContact O-N 3.14Å; F244-I247 PolarHBondContact O-N 2.99Å; I247-P250 WeakPolarHBondContact O-CD 3.42Å |
| 248 | L | 92 | Very high | 91.8 | Very high | 67 Ų | 67 | 83.8 Ų | 83.8 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -86.8 | -11.9 | -178.3 | -63.7 | 174 | 0 | 0 | 0 | 113.3 | F244 Q245 P250 F251 H252 | F244-L248 WeakPolarHBondContact O-CB 3.29Å; F244-L248 VanDerWaalsContact O-CG 3.3Å; F244-L248 WeakPolarHBondContact O-CG 3.5Å; F244-L248 PolarHBondContact O-N 3.42Å; Q245-L248 PolarHBondContact O-N 3.42Å; L248-P250 VanDerWaalsContact C-CD 3.5Å; L248-F251 WeakPolarHBondContact O-CB 3.45Å; L248-F251 PolarHBondContact O-N 3.43Å; L248-F251 VanDerWaalsContact O-N 3.07Å; L248-H252 PolarHBondContact O-CD2 2.97Å; L248-H252 VanDerWaalsContact O-CD2 3.23Å; L248-H252 PolarHBondContact O-N 3.48Å |
| 249 | A | 92.6 | Very high | 92.2 | Very high | 47 Ų | 47 | 84.2 Ų | 84.2 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54.8 | -44 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q245 F251 H252 L253 | Q245-A249 WeakPolarHBondContact O-CA 3.33Å; Q245-A249 WeakPolarHBondContact O-CB 3.26Å; Q245-A249 PolarHBondContact O-N 3.36Å; A249-F251 VanDerWaalsContact C-N 3.32Å; A249-F251 PolarHBondContact O-N 3.3Å; A249-H252 PolarHBondContact O-N 3.32Å; A249-L253 VanDerWaalsContact O-CB 3.3Å; A249-L253 WeakPolarHBondContact O-CB 3.29Å; A249-L253 PolarHBondContact O-N 2.96Å |
| 250 | P | 94.7 | Very high | 92.5 | Very high | 79 Ų | 79 | 80.7 Ų | 80.7 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.5 | -22.2 | 33.8 | 0 | 0 | 0 | 112.1 | I247 L248 L253 C254 | I247-P250 WeakPolarHBondContact O-CD 3.42Å; L248-P250 VanDerWaalsContact C-CD 3.5Å; P250-L253 PolarHBondContact O-N 3.27Å; P250-C254 WeakPolarHBondContact O-CB 3.4Å; P250-C254 PolarHBondContact O-N 3.45Å; P250-C254 PolarHBondContact O-SG 2.94Å |
| 251 | F | 94.4 | Very high | 92.9 | Very high | 141 Ų | 141 | 81.1 Ų | 81.1 | 62% | 0.618 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 177.6 | 175.7 | -97.6 | 0 | 0 | 0 | 111.6 | L248 A249 L253 C254 S255 | L248-F251 WeakPolarHBondContact O-CB 3.45Å; L248-F251 PolarHBondContact O-N 3.43Å; L248-F251 VanDerWaalsContact O-N 3.07Å; A249-F251 VanDerWaalsContact C-N 3.32Å; A249-F251 PolarHBondContact O-N 3.3Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 3Å; F251-C254 PolarHBondContact O-N 2.92Å; F251-S255 WeakPolarHBondContact O-CB 3.26Å; F251-S255 PolarHBondContact O-N 3.38Å; F251-S255 PolarHBondContact O-OG 2.96Å |
| 252 | H | 91.6 | Very high | 93 | Very high | 103 Ų | 103 | 88.6 Ų | 88.6 | 48% | 0.477 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.4 | -71.9 | -53.9 | 0 | 0 | 0 | 111.8 | L248 A249 S255 Y256 | L248-H252 PolarHBondContact O-CD2 2.97Å; L248-H252 VanDerWaalsContact O-CD2 3.23Å; L248-H252 PolarHBondContact O-N 3.48Å; A249-H252 PolarHBondContact O-N 3.32Å; H252-S255 WeakPolarHBondContact CA-OG 3.48Å; H252-S255 PolarHBondContact O-N 3.05Å; H252-S255 PolarHBondContact O-OG 3.25Å; H252-Y256 VanDerWaalsContact O-CB 3.29Å; H252-Y256 WeakPolarHBondContact O-CB 3.41Å; H252-Y256 PolarHBondContact O-N 2.77Å |
| 253 | L | 94.1 | Very high | 93 | Very high | 105 Ų | 105 | 88.3 Ų | 88.3 | 55% | 0.55 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 176.6 | -178 | 62.6 | 0 | 0 | 0 | 111.4 | A249 P250 F251 S255 Y256 I257 | A249-L253 VanDerWaalsContact O-CB 3.3Å; A249-L253 WeakPolarHBondContact O-CB 3.29Å; A249-L253 PolarHBondContact O-N 2.96Å; P250-L253 PolarHBondContact O-N 3.27Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 3Å; L253-S255 PolarHBondContact O-N 3.45Å; L253-Y256 PolarHBondContact O-N 3.1Å; L253-I257 HydrophobicContact CD1-CD1 4.19Å; L253-I257 HydrophobicContact CD1-CG1 4.49Å; L253-I257 HydrophobicContact CG-CD1 3.99Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.22Å |
| 254 | C | 95.1 | Very high | 93 | Very high | 82 Ų | 82 | 88.7 Ų | 88.7 | 55% | 0.554 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 176.4 | -69.9 | 0 | 0 | 0 | 0 | 112 | P250 F251 Y256 I257 A258 | P250-C254 WeakPolarHBondContact O-CB 3.4Å; P250-C254 PolarHBondContact O-N 3.45Å; P250-C254 PolarHBondContact O-SG 2.94Å; F251-C254 PolarHBondContact O-N 2.92Å; C254-Y256 VanDerWaalsContact C-N 3.31Å; C254-Y256 PolarHBondContact O-N 2.93Å; C254-I257 PolarHBondContact O-N 2.88Å; C254-A258 WeakPolarHBondContact O-CB 3.47Å; C254-A258 PolarHBondContact O-N 3.2Å |
| 255 | S | 93.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 90.1 Ų | 90.1 | 38% | 0.378 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177.7 | 74.8 | 0 | 0 | 0 | 0 | 112.1 | F251 H252 L253 A258 W259 | F251-S255 WeakPolarHBondContact O-CB 3.26Å; F251-S255 PolarHBondContact O-N 3.38Å; F251-S255 PolarHBondContact O-OG 2.96Å; H252-S255 WeakPolarHBondContact CA-OG 3.48Å; H252-S255 PolarHBondContact O-N 3.05Å; H252-S255 PolarHBondContact O-OG 3.25Å; L253-S255 PolarHBondContact O-N 3.45Å; S255-A258 PolarHBondContact O-N 3.38Å; S255-W259 WeakPolarHBondContact O-CB 3.03Å; S255-W259 PolarHBondContact O-N 3.1Å |
| 256 | Y | 93.3 | Very high | 93 | Very high | 119 Ų | 119 | 87 Ų | 87 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 177.3 | 177.7 | -103.3 | 0 | 0 | 0 | 111.5 | H252 L253 C254 W259 Y260 | H252-Y256 VanDerWaalsContact O-CB 3.29Å; H252-Y256 WeakPolarHBondContact O-CB 3.41Å; H252-Y256 PolarHBondContact O-N 2.77Å; L253-Y256 PolarHBondContact O-N 3.1Å; C254-Y256 VanDerWaalsContact C-N 3.31Å; C254-Y256 PolarHBondContact O-N 2.93Å; Y256-W259 HydrophobicContact CD2-CE3 4.23Å; Y256-W259 HydrophobicContact CE2-CE3 4.07Å; Y256-W259 HydrophobicContact CE2-CZ3 4.08Å; Y256-W259 PolarHBondContact O-N 3.5Å; Y256-Y260 VanDerWaalsContact O-CB 3.27Å; Y256-Y260 WeakPolarHBondContact O-CB 3.32Å; Y256-Y260 PolarHBondContact O-N 3.1Å |
| 257 | I | 95.6 | Very high | 92.9 | Very high | 87 Ų | 87 | 84.2 Ų | 84.2 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 175.3 | -68.8 | 165 | 0 | 0 | 0 | 109.9 | L253 C254 W259 Y260 C261 | L253-I257 HydrophobicContact CD1-CD1 4.19Å; L253-I257 HydrophobicContact CD1-CG1 4.49Å; L253-I257 HydrophobicContact CG-CD1 3.99Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.22Å; C254-I257 PolarHBondContact O-N 2.88Å; I257-W259 PolarHBondContact O-N 3.13Å; I257-Y260 PolarHBondContact O-N 3.18Å; I257-C261 WeakPolarHBondContact O-CB 3.21Å; I257-C261 PolarHBondContact O-N 2.78Å; I257-C261 PolarHBondContact O-SG 3.49Å |
| 258 | A | 95.5 | Very high | 92.7 | Very high | 57 Ų | 57 | 85.6 Ų | 85.6 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C254 S255 Y260 R262 | C254-A258 WeakPolarHBondContact O-CB 3.47Å; C254-A258 PolarHBondContact O-N 3.2Å; S255-A258 PolarHBondContact O-N 3.38Å; A258-Y260 VanDerWaalsContact C-N 3.35Å; A258-R262 WeakPolarHBondContact O-CB 3.25Å; A258-R262 PolarHBondContact O-N 2.9Å |
| 259 | W | 94.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 88.2 Ų | 88.2 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 174.3 | 176.3 | 87.5 | 0 | 0 | 0 | 111.6 | S255 Y256 I257 R262 W263 Y281 | S255-W259 WeakPolarHBondContact O-CB 3.03Å; S255-W259 PolarHBondContact O-N 3.1Å; Y256-W259 HydrophobicContact CD2-CE3 4.23Å; Y256-W259 HydrophobicContact CE2-CE3 4.07Å; Y256-W259 HydrophobicContact CE2-CZ3 4.08Å; Y256-W259 PolarHBondContact O-N 3.5Å; I257-W259 PolarHBondContact O-N 3.13Å; W259-R262 WeakPolarHBondContact O-CB 3.39Å; W259-R262 PolarHBondContact O-N 3.03Å; W259-W263 AromaticContact CE2-CE3 4Å; W259-W263 HydrophobicContact CH2-CD2 4.08Å; W259-W263 AromaticContact CH2-CE3 3.63Å; W259-W263 HydrophobicContact CH2-CE3 3.63Å; W259-W263 HydrophobicContact CH2-CZ3 4.07Å; W259-W263 HydrophobicContact CZ2-CD2 4.15Å; W259-W263 AromaticContact CZ2-CE3 3.28Å; W259-W263 HydrophobicContact CZ2-CE3 3.28Å; W259-W263 AromaticContact CZ2-CZ3 3.61Å; W259-W263 HydrophobicContact CZ2-CZ3 3.61Å; W259-W263 WeakPolarHBondContact O-CB 3.46Å; W259-W263 PolarHBondContact O-N 3.17Å; W259-Y281 HydrophobicContact CH2-CD1 4.19Å; W259-Y281 HydrophobicContact CH2-CD2 4.3Å; W259-Y281 AromaticContact CH2-CE1 3.68Å; W259-Y281 HydrophobicContact CH2-CE1 3.68Å; W259-Y281 AromaticContact CH2-CE2 3.77Å; W259-Y281 HydrophobicContact CH2-CE2 3.77Å; W259-Y281 HydrophobicContact CH2-CG 4.49Å; W259-Y281 AromaticContact CH2-CZ 3.44Å; W259-Y281 VanDerWaalsContact CH2-CZ 3.44Å; W259-Y281 HydrophobicContact CZ2-CD1 4.5Å; W259-Y281 HydrophobicContact CZ2-CD2 4.36Å; W259-Y281 HydrophobicContact CZ2-CE1 4.41Å; W259-Y281 HydrophobicContact CZ2-CE2 4.23Å; W259-Y281 HydrophobicContact CZ2-CG 4.49Å |
| 260 | Y | 93 | Very high | 92.3 | Very high | 117 Ų | 117 | 91.6 Ų | 91.6 | 46% | 0.459 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | -179.9 | -174.3 | -112.9 | 0 | 0 | 0 | 112.5 | Y256 I257 A258 R262 W263 I264 | Y256-Y260 VanDerWaalsContact O-CB 3.27Å; Y256-Y260 WeakPolarHBondContact O-CB 3.32Å; Y256-Y260 PolarHBondContact O-N 3.1Å; I257-Y260 PolarHBondContact O-N 3.18Å; A258-Y260 VanDerWaalsContact C-N 3.35Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.48Å; Y260-W263 WeakPolarHBondContact O-CB 3.3Å; Y260-W263 PolarHBondContact O-N 3.4Å; Y260-I264 HydrophobicContact CD1-CD1 3.75Å; Y260-I264 HydrophobicContact CE1-CD1 3.32Å; Y260-I264 HydrophobicContact CE1-CG1 4.24Å; Y260-I264 HydrophobicContact CE2-CD1 4.35Å; Y260-I264 HydrophobicContact CE2-CG1 4.45Å; Y260-I264 HydrophobicContact CG-CD1 4.44Å; Y260-I264 WeakPolarHBondContact O-CG1 3.41Å; Y260-I264 PolarHBondContact O-N 3.09Å |
| 261 | C | 94.4 | Very high | 91.9 | Very high | 73 Ų | 73 | 90.5 Ų | 90.5 | 49% | 0.493 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 172.2 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | I257 W263 I264 Y265 | I257-C261 WeakPolarHBondContact O-CB 3.21Å; I257-C261 PolarHBondContact O-N 2.78Å; I257-C261 PolarHBondContact O-SG 3.49Å; C261-W263 VanDerWaalsContact C-N 3.34Å; C261-I264 PolarHBondContact O-N 3.38Å; C261-Y265 WeakPolarHBondContact O-CB 3.44Å; C261-Y265 PolarHBondContact O-N 3.43Å |
| 262 | R | 91.9 | Very high | 91.6 | Very high | 175 Ų | 175 | 89.1 Ų | 89.1 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 175 | -174.9 | -178.9 | -65.9 | -178 | -0.1 | 111.8 | A258 W259 Y260 Y265 N266 | A258-R262 WeakPolarHBondContact O-CB 3.25Å; A258-R262 PolarHBondContact O-N 2.9Å; W259-R262 WeakPolarHBondContact O-CB 3.39Å; W259-R262 PolarHBondContact O-N 3.03Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.48Å; R262-Y265 PolarHBondContact O-N 3.1Å; R262-N266 WeakPolarHBondContact O-CB 3.49Å; R262-N266 PolarHBondContact O-N 3.15Å |
| 263 | W | 91.6 | Very high | 91.3 | Very high | 40 Ų | 40 | 92.4 Ų | 92.4 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.4 | -51.8 | 176.2 | -175.6 | -76.6 | 0 | 0 | 0 | 111.2 | W259 Y260 C261 Y265 N266 F267 Y274 E278 Y281 L282 | W259-W263 AromaticContact CE2-CE3 4Å; W259-W263 HydrophobicContact CH2-CD2 4.08Å; W259-W263 AromaticContact CH2-CE3 3.63Å; W259-W263 HydrophobicContact CH2-CE3 3.63Å; W259-W263 HydrophobicContact CH2-CZ3 4.07Å; W259-W263 HydrophobicContact CZ2-CD2 4.15Å; W259-W263 AromaticContact CZ2-CE3 3.28Å; W259-W263 HydrophobicContact CZ2-CE3 3.28Å; W259-W263 AromaticContact CZ2-CZ3 3.61Å; W259-W263 HydrophobicContact CZ2-CZ3 3.61Å; W259-W263 WeakPolarHBondContact O-CB 3.46Å; W259-W263 PolarHBondContact O-N 3.17Å; Y260-W263 WeakPolarHBondContact O-CB 3.3Å; Y260-W263 PolarHBondContact O-N 3.4Å; C261-W263 VanDerWaalsContact C-N 3.34Å; W263-Y265 VanDerWaalsContact C-N 3.29Å; W263-Y265 PolarHBondContact O-N 3.15Å; W263-N266 PolarHBondContact O-N 2.72Å; W263-F267 HydrophobicContact CB-CD2 4.42Å; W263-F267 AromaticContact CD1-CD2 3.87Å; W263-F267 AromaticContact CD2-CD2 3.48Å; W263-F267 HydrophobicContact CD2-CD2 3.48Å; W263-F267 VanDerWaalsContact CD2-CD2 3.48Å; W263-F267 AromaticContact CD2-CE2 3.66Å; W263-F267 HydrophobicContact CD2-CE2 3.66Å; W263-F267 AromaticContact CE2-CD2 3.53Å; W263-F267 AromaticContact CE2-CE2 3.97Å; W263-F267 AromaticContact CE3-CD2 3.95Å; W263-F267 HydrophobicContact CE3-CD2 3.95Å; W263-F267 AromaticContact CE3-CE2 3.59Å; W263-F267 HydrophobicContact CE3-CE2 3.59Å; W263-F267 AromaticContact CG-CD2 3.71Å; W263-F267 HydrophobicContact CG-CD2 3.71Å; W263-F267 HydrophobicContact CG-CE2 4.22Å; W263-F267 HydrophobicContact CH2-CD2 4.5Å; W263-F267 HydrophobicContact CH2-CE2 4.21Å; W263-F267 HydrophobicContact CZ2-CD2 4.06Å; W263-F267 HydrophobicContact CZ2-CE2 4.23Å; W263-F267 HydrophobicContact CZ3-CD2 4.43Å; W263-F267 AromaticContact CZ3-CE2 3.89Å; W263-F267 HydrophobicContact CZ3-CE2 3.89Å; W263-F267 AromaticContact NE1-CD2 3.74Å; W263-F267 VanDerWaalsContact O-CD2 3.28Å; W263-F267 WeakPolarHBondContact O-CD2 3.38Å; W263-F267 PolarHBondContact O-N 3.06Å; W263-Y274 HydrophobicContact CZ2-CD1 4.4Å; W263-Y274 HydrophobicContact CZ2-CE1 4.04Å; W263-E278 HydrophobicContact CE3-CG 4.35Å; W263-E278 HydrophobicContact CH2-CB 3.6Å; W263-E278 HydrophobicContact CH2-CG 3.85Å; W263-E278 HydrophobicContact CZ3-CB 3.76Å; W263-E278 HydrophobicContact CZ3-CG 3.46Å; W263-E278 VanDerWaalsContact CZ3-CG 3.46Å; W263-Y281 AromaticContact CH2-CD1 3.85Å; W263-Y281 HydrophobicContact CH2-CD1 3.85Å; W263-Y281 HydrophobicContact CH2-CE1 4.48Å; W263-Y281 HydrophobicContact CZ2-CD1 4.46Å; W263-Y281 HydrophobicContact CZ3-CD1 4.16Å; W263-L282 HydrophobicContact CH2-CG 4.32Å; W263-L282 HydrophobicContact CZ2-CD1 4.47Å; W263-L282 HydrophobicContact CZ2-CD2 4.14Å; W263-L282 HydrophobicContact CZ2-CG 4.28Å |
| 264 | I | 90.8 | Very high | 91 | Very high | 57 Ų | 57 | 91.4 Ų | 91.4 | 29% | 0.292 | 45% | 0.453 | S | S | . | . | I | π-helix | trans | -56.7 | -46.6 | 177.4 | -69.9 | 168.1 | 0 | 0 | 0 | 110.4 | Y260 C261 N266 N268 I269 | Y260-I264 HydrophobicContact CD1-CD1 3.75Å; Y260-I264 HydrophobicContact CE1-CD1 3.32Å; Y260-I264 HydrophobicContact CE1-CG1 4.24Å; Y260-I264 HydrophobicContact CE2-CD1 4.35Å; Y260-I264 HydrophobicContact CE2-CG1 4.45Å; Y260-I264 HydrophobicContact CG-CD1 4.44Å; Y260-I264 WeakPolarHBondContact O-CG1 3.41Å; Y260-I264 PolarHBondContact O-N 3.09Å; C261-I264 PolarHBondContact O-N 3.38Å; I264-N266 PolarHBondContact O-N 3.07Å; I264-N268 HydrophobicContact CG2-CB 4.2Å; I264-N268 WeakPolarHBondContact O-CA 3.31Å; I264-N268 WeakPolarHBondContact O-CB 2.87Å; I264-N268 PolarHBondContact O-N 2.92Å; I264-I269 PolarHBondContact O-N 2.79Å; I264-I269 VanDerWaalsContact O-N 3.16Å |
| 265 | Y | 92.1 | Very high | 90.7 | Very high | 109 Ų | 109 | 89 Ų | 89 | 43% | 0.427 | 44% | 0.441 | S | S | . | . | I | π-helix | trans | -61.6 | -46.6 | -179.9 | 177.7 | -99 | 0 | 0 | 0 | 112.7 | C261 R262 W263 I269 K270 | C261-Y265 WeakPolarHBondContact O-CB 3.44Å; C261-Y265 PolarHBondContact O-N 3.43Å; R262-Y265 PolarHBondContact O-N 3.1Å; W263-Y265 VanDerWaalsContact C-N 3.29Å; W263-Y265 PolarHBondContact O-N 3.15Å; Y265-I269 HydrophobicContact CD2-CD1 4.22Å; Y265-I269 WeakPolarHBondContact O-CB 3.29Å; Y265-K270 HydrophobicContact CD1-CD 4.44Å; Y265-K270 HydrophobicContact CE1-CD 3.73Å; Y265-K270 HydrophobicContact CE1-CG 4.37Å; Y265-K270 PolarHBondContact O-N 3.34Å; Y265-K270 WeakPolarHBondContact OH-CE 3.32Å; Y265-K270 PolarHBondContact OH-NZ 2.93Å |
| 266 | N | 89.6 | Confident | 90.4 | Very high | 36 Ų | 36 | 92.5 Ų | 92.5 | 19% | 0.193 | 45% | 0.452 | C | S | . | . | I | π-helix | trans | -72.9 | -41.8 | -176.4 | -77.9 | -27.1 | 0 | 0 | 0 | 113.3 | R262 W263 I264 K270 G271 K272 | R262-N266 WeakPolarHBondContact O-CB 3.49Å; R262-N266 PolarHBondContact O-N 3.15Å; W263-N266 PolarHBondContact O-N 2.72Å; I264-N266 PolarHBondContact O-N 3.07Å; N266-K270 WeakPolarHBondContact O-CB 3.42Å; N266-G271 PolarHBondContact O-N 2.65Å; N266-K272 HydrophobicContact CB-CD 4.35Å; N266-K272 PolarHBondContact O-N 3.27Å; N266-K272 VanDerWaalsContact O-N 3.11Å |
| 267 | F | 89.8 | Confident | 90.1 | Very high | 26 Ų | 26 | 94.5 Ų | 94.5 | 11% | 0.114 | 47% | 0.465 | C | S | . | . | I | π-helix | trans | -100.4 | -34 | -170.3 | -60.2 | -64.6 | 0 | 0 | 0 | 113.5 | W263 K272 Y274 E278 | W263-F267 HydrophobicContact CB-CD2 4.42Å; W263-F267 AromaticContact CD1-CD2 3.87Å; W263-F267 AromaticContact CD2-CD2 3.48Å; W263-F267 HydrophobicContact CD2-CD2 3.48Å; W263-F267 VanDerWaalsContact CD2-CD2 3.48Å; W263-F267 AromaticContact CD2-CE2 3.66Å; W263-F267 HydrophobicContact CD2-CE2 3.66Å; W263-F267 AromaticContact CE2-CD2 3.53Å; W263-F267 AromaticContact CE2-CE2 3.97Å; W263-F267 AromaticContact CE3-CD2 3.95Å; W263-F267 HydrophobicContact CE3-CD2 3.95Å; W263-F267 AromaticContact CE3-CE2 3.59Å; W263-F267 HydrophobicContact CE3-CE2 3.59Å; W263-F267 AromaticContact CG-CD2 3.71Å; W263-F267 HydrophobicContact CG-CD2 3.71Å; W263-F267 HydrophobicContact CG-CE2 4.22Å; W263-F267 HydrophobicContact CH2-CD2 4.5Å; W263-F267 HydrophobicContact CH2-CE2 4.21Å; W263-F267 HydrophobicContact CZ2-CD2 4.06Å; W263-F267 HydrophobicContact CZ2-CE2 4.23Å; W263-F267 HydrophobicContact CZ3-CD2 4.43Å; W263-F267 AromaticContact CZ3-CE2 3.89Å; W263-F267 HydrophobicContact CZ3-CE2 3.89Å; W263-F267 AromaticContact NE1-CD2 3.74Å; W263-F267 VanDerWaalsContact O-CD2 3.28Å; W263-F267 WeakPolarHBondContact O-CD2 3.38Å; W263-F267 PolarHBondContact O-N 3.06Å; F267-K272 HydrophobicContact CD1-CB 4.49Å; F267-K272 WeakPolarHBondContact CD1-O 3.31Å; F267-K272 HydrophobicContact CE1-CB 4.45Å; F267-Y274 HydrophobicContact CB-CE1 4.13Å; F267-Y274 AromaticContact CD1-CD1 3.58Å; F267-Y274 HydrophobicContact CD1-CD1 3.58Å; F267-Y274 AromaticContact CD1-CE1 3.56Å; F267-Y274 HydrophobicContact CD1-CE1 3.56Å; F267-Y274 HydrophobicContact CD2-CE1 4.39Å; F267-Y274 AromaticContact CE1-CD1 3.61Å; F267-Y274 HydrophobicContact CE1-CD1 3.61Å; F267-Y274 HydrophobicContact CE1-CE1 4.08Å; F267-Y274 HydrophobicContact CE1-CG 4.48Å; F267-Y274 HydrophobicContact CG-CD1 4.15Å; F267-Y274 AromaticContact CG-CE1 3.76Å; F267-Y274 HydrophobicContact CG-CE1 3.76Å; F267-Y274 HydrophobicContact CZ-CD1 4.19Å; F267-E278 HydrophobicContact CE2-CG 3.96Å; F267-E278 HydrophobicContact CZ-CB 4.19Å; F267-E278 HydrophobicContact CZ-CG 3.58Å |
| 268 | N | 88 | Confident | 89.9 | Confident | 134 Ų | 134 | 93 Ų | 93 | 72% | 0.717 | 46% | 0.456 | S | S | * | . | I | π-helix | trans | -91.9 | -38.2 | -178.8 | -153 | 5.1 | 0 | 0 | 0 | 112.2 | I264 | I264-N268 HydrophobicContact CG2-CB 4.2Å; I264-N268 WeakPolarHBondContact O-CA 3.31Å; I264-N268 WeakPolarHBondContact O-CB 2.87Å; I264-N268 PolarHBondContact O-N 2.92Å |
| 269 | I | 87.9 | Confident | 89.7 | Confident | 123 Ų | 123 | 94 Ų | 94 | 63% | 0.631 | 45% | 0.448 | S | S | * | . | I | π-helix | trans | -90.8 | -51.3 | -179.2 | -56.3 | 178.2 | 0 | 0 | 0 | 111.3 | I264 Y265 | I264-I269 PolarHBondContact O-N 2.79Å; I264-I269 VanDerWaalsContact O-N 3.16Å; Y265-I269 HydrophobicContact CD2-CD1 4.22Å; Y265-I269 WeakPolarHBondContact O-CB 3.29Å |
| 270 | K | 88.2 | Confident | 89.6 | Confident | 117 Ų | 117 | 91.3 Ų | 91.3 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -84.1 | -14.5 | -178.5 | -80.2 | -170.9 | 164.3 | 174.1 | 0 | 114.7 | Y265 N266 K272 | Y265-K270 HydrophobicContact CD1-CD 4.44Å; Y265-K270 HydrophobicContact CE1-CD 3.73Å; Y265-K270 HydrophobicContact CE1-CG 4.37Å; Y265-K270 PolarHBondContact O-N 3.34Å; Y265-K270 WeakPolarHBondContact OH-CE 3.32Å; Y265-K270 PolarHBondContact OH-NZ 2.93Å; N266-K270 WeakPolarHBondContact O-CB 3.42Å; K270-K272 VanDerWaalsContact C-N 3.26Å; K270-K272 HydrophobicContact CB-CG 4.22Å; K270-K272 PolarHBondContact O-N 3.49Å |
| 271 | G | 84.9 | Confident | 89.5 | Confident | 57 Ų | 57 | 88.3 Ų | 88.3 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | trans | 58.9 | 32 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N266 | N266-G271 PolarHBondContact O-N 2.65Š| ||
| 272 | K | 87.9 | Confident | 89.3 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.4 | 177.4 | -68 | -176.8 | 176.9 | 180 | 0 | 110.9 | N266 F267 K270 | N266-K272 HydrophobicContact CB-CD 4.35Å; N266-K272 PolarHBondContact O-N 3.27Å; N266-K272 VanDerWaalsContact O-N 3.11Å; F267-K272 HydrophobicContact CD1-CB 4.49Å; F267-K272 WeakPolarHBondContact CD1-O 3.31Å; F267-K272 HydrophobicContact CE1-CB 4.45Å; K270-K272 VanDerWaalsContact C-N 3.26Å; K270-K272 HydrophobicContact CB-CG 4.22Å; K270-K272 PolarHBondContact O-N 3.49Å |
| 273 | E | 86.1 | Confident | 89.3 | Confident | 172 Ų | 172 | 78.2 Ų | 78.2 | 80% | 0.804 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 145.2 | 169.8 | -65.5 | -175.8 | 178.7 | 0 | 0 | 111 | G275 | E273-G275 PolarHBondContact O-N 2.99Š|
| 274 | Y | 86.8 | Confident | 89.4 | Confident | 85 Ų | 85 | 78.5 Ų | 78.5 | 33% | 0.333 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -68 | 127.8 | 177 | -58.7 | -67.8 | 0 | 0 | 0 | 110.1 | W263 F267 E278 R279 L282 | W263-Y274 HydrophobicContact CZ2-CD1 4.4Å; W263-Y274 HydrophobicContact CZ2-CE1 4.04Å; F267-Y274 HydrophobicContact CB-CE1 4.13Å; F267-Y274 AromaticContact CD1-CD1 3.58Å; F267-Y274 HydrophobicContact CD1-CD1 3.58Å; F267-Y274 AromaticContact CD1-CE1 3.56Å; F267-Y274 HydrophobicContact CD1-CE1 3.56Å; F267-Y274 HydrophobicContact CD2-CE1 4.39Å; F267-Y274 AromaticContact CE1-CD1 3.61Å; F267-Y274 HydrophobicContact CE1-CD1 3.61Å; F267-Y274 HydrophobicContact CE1-CE1 4.08Å; F267-Y274 HydrophobicContact CE1-CG 4.48Å; F267-Y274 HydrophobicContact CG-CD1 4.15Å; F267-Y274 AromaticContact CG-CE1 3.76Å; F267-Y274 HydrophobicContact CG-CE1 3.76Å; F267-Y274 HydrophobicContact CZ-CD1 4.19Å; Y274-E278 HydrophobicContact CD1-CB 4.18Å; Y274-R279 VanDerWaalsContact O-CZ 3.31Å; Y274-R279 PolarHBondContact O-NE 3.29Å; Y274-R279 PolarHBondContact O-NH2 2.72Å; Y274-L282 HydrophobicContact CD1-CD1 4.05Å; Y274-L282 HydrophobicContact CD2-CD1 4.3Å; Y274-L282 HydrophobicContact CE1-CD1 3.96Å; Y274-L282 HydrophobicContact CE2-CD1 4.22Å; Y274-L282 HydrophobicContact CG-CD1 4.22Å |
| 275 | G | 89.3 | Confident | 89.4 | Confident | 30 Ų | 30 | 81.9 Ų | 81.9 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | trans | -72.1 | 178.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E273 E278 R279 | E273-G275 PolarHBondContact O-N 2.99Å; G275-E278 VanDerWaalsContact C-OE2 3.28Å; G275-E278 WeakPolarHBondContact CA-OE2 3.31Å; G275-E278 PolarHBondContact N-OE2 3.45Å; G275-E278 VanDerWaalsContact N-OE2 3.09Å; G275-E278 PolarHBondContact O-N 3.29Å; G275-R279 WeakPolarHBondContact O-CB 3.34Å; G275-R279 WeakPolarHBondContact O-CG 3.42Å; G275-R279 PolarHBondContact O-N 3.3Å | ||
| 276 | E | 86.9 | Confident | 89.3 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | -177.4 | -168.6 | 177.2 | 163.4 | 0 | 0 | 112.1 | E278 R279 L280 L306 | E276-E278 VanDerWaalsContact C-N 3.35Å; E276-E278 PolarHBondContact O-N 3.46Å; E276-R279 PolarHBondContact O-N 3.09Å; E276-L280 HydrophobicContact CG-CD1 4.44Å; E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 2.84Å; E276-L306 HydrophobicContact CG-CD1 3.75Å; E276-L306 HydrophobicContact CG-CD2 4.43Å |
| 277 | E | 88.4 | Confident | 89.2 | Confident | 161 Ų | 161 | 78.3 Ų | 78.3 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 179 | -63.1 | -173.2 | 174.7 | 0 | 0 | 112 | L280 Y281 | E277-L280 PolarHBondContact O-N 3.38Å; E277-Y281 PolarHBondContact O-N 2.87Å |
| 278 | E | 89.9 | Confident | 89.1 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.3 | -37.8 | 178.1 | -63.9 | 97.9 | 160 | 0 | 0 | 112.3 | W263 F267 Y274 G275 E276 Y281 L282 | W263-E278 HydrophobicContact CE3-CG 4.35Å; W263-E278 HydrophobicContact CH2-CB 3.6Å; W263-E278 HydrophobicContact CH2-CG 3.85Å; W263-E278 HydrophobicContact CZ3-CB 3.76Å; W263-E278 HydrophobicContact CZ3-CG 3.46Å; W263-E278 VanDerWaalsContact CZ3-CG 3.46Å; F267-E278 HydrophobicContact CE2-CG 3.96Å; F267-E278 HydrophobicContact CZ-CB 4.19Å; F267-E278 HydrophobicContact CZ-CG 3.58Å; Y274-E278 HydrophobicContact CD1-CB 4.18Å; G275-E278 VanDerWaalsContact C-OE2 3.28Å; G275-E278 WeakPolarHBondContact CA-OE2 3.31Å; G275-E278 PolarHBondContact N-OE2 3.45Å; G275-E278 VanDerWaalsContact N-OE2 3.09Å; G275-E278 PolarHBondContact O-N 3.29Å; E276-E278 VanDerWaalsContact C-N 3.35Å; E276-E278 PolarHBondContact O-N 3.46Å; E278-Y281 PolarHBondContact O-N 2.88Å; E278-L282 WeakPolarHBondContact O-CG 3.33Å; E278-L282 PolarHBondContact O-N 3.47Å |
| 279 | R | 91.3 | Very high | 89 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 29% | 0.291 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 171.5 | -70.7 | 168.3 | -164 | -158.4 | 3.7 | 110.6 | Y274 G275 E276 Y281 L282 I283 L306 W311 | Y274-R279 VanDerWaalsContact O-CZ 3.31Å; Y274-R279 PolarHBondContact O-NE 3.29Å; Y274-R279 PolarHBondContact O-NH2 2.72Å; G275-R279 WeakPolarHBondContact O-CB 3.34Å; G275-R279 WeakPolarHBondContact O-CG 3.42Å; G275-R279 PolarHBondContact O-N 3.3Å; E276-R279 PolarHBondContact O-N 3.09Å; R279-Y281 VanDerWaalsContact C-N 3.34Å; R279-Y281 PolarHBondContact O-N 3.46Å; R279-L282 PolarHBondContact O-N 3.41Å; R279-I283 VanDerWaalsContact O-CG1 3.24Å; R279-I283 WeakPolarHBondContact O-CG1 3.42Å; R279-I283 PolarHBondContact O-N 2.78Å; R279-L306 HydrophobicContact CB-CD2 3.76Å; R279-W311 HydrophobicContact CB-CD2 4.12Å; R279-W311 HydrophobicContact CB-CE3 3.7Å; R279-W311 HydrophobicContact CB-CZ3 4.14Å; R279-W311 HydrophobicContact CG-CD2 3.81Å; R279-W311 HydrophobicContact CG-CE3 3.75Å; R279-W311 HydrophobicContact CG-CG 4.35Å; R279-W311 HydrophobicContact CG-CH2 4.37Å; R279-W311 HydrophobicContact CG-CZ2 4.43Å; R279-W311 HydrophobicContact CG-CZ3 4.01Å |
| 280 | L | 92.3 | Very high | 89 | Confident | 34 Ų | 34 | 78.1 Ų | 78.1 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.4 | -70.7 | 172.8 | 0 | 0 | 0 | 112 | E276 E277 L282 I283 R284 F294 K302 L306 | E276-L280 HydrophobicContact CG-CD1 4.44Å; E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 2.84Å; E277-L280 PolarHBondContact O-N 3.38Å; L280-L282 PolarHBondContact O-N 3.41Å; L280-I283 PolarHBondContact O-N 2.82Å; L280-R284 WeakPolarHBondContact O-CB 3.43Å; L280-R284 PolarHBondContact O-N 3.25Å; L280-F294 HydrophobicContact CB-CE1 4.28Å; L280-F294 HydrophobicContact CB-CZ 4.37Å; L280-F294 HydrophobicContact CD2-CE1 4.26Å; L280-F294 HydrophobicContact CD2-CZ 3.92Å; L280-K302 HydrophobicContact CD2-CB 4.27Å; L280-L306 HydrophobicContact CD2-CD1 3.98Å; L280-L306 HydrophobicContact CD2-CD2 3.98Å; L280-L306 HydrophobicContact CD2-CG 3.89Å; L280-L306 HydrophobicContact CG-CD1 4.34Å; L280-L306 HydrophobicContact CG-CD2 4.14Å; L280-L306 HydrophobicContact CG-CG 4.47Å |
| 281 | Y | 91.1 | Very high | 88.9 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 21% | 0.208 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 174 | 173.5 | -91.8 | 0 | 0 | 0 | 111.9 | W259 W263 E277 E278 R279 R284 K285 | W259-Y281 HydrophobicContact CH2-CD1 4.19Å; W259-Y281 HydrophobicContact CH2-CD2 4.3Å; W259-Y281 AromaticContact CH2-CE1 3.68Å; W259-Y281 HydrophobicContact CH2-CE1 3.68Å; W259-Y281 AromaticContact CH2-CE2 3.77Å; W259-Y281 HydrophobicContact CH2-CE2 3.77Å; W259-Y281 HydrophobicContact CH2-CG 4.49Å; W259-Y281 AromaticContact CH2-CZ 3.44Å; W259-Y281 VanDerWaalsContact CH2-CZ 3.44Å; W259-Y281 HydrophobicContact CZ2-CD1 4.5Å; W259-Y281 HydrophobicContact CZ2-CD2 4.36Å; W259-Y281 HydrophobicContact CZ2-CE1 4.41Å; W259-Y281 HydrophobicContact CZ2-CE2 4.23Å; W259-Y281 HydrophobicContact CZ2-CG 4.49Å; W263-Y281 AromaticContact CH2-CD1 3.85Å; W263-Y281 HydrophobicContact CH2-CD1 3.85Å; W263-Y281 HydrophobicContact CH2-CE1 4.48Å; W263-Y281 HydrophobicContact CZ2-CD1 4.46Å; W263-Y281 HydrophobicContact CZ3-CD1 4.16Å; E277-Y281 PolarHBondContact O-N 2.87Å; E278-Y281 PolarHBondContact O-N 2.88Å; R279-Y281 VanDerWaalsContact C-N 3.34Å; R279-Y281 PolarHBondContact O-N 3.46Å; Y281-R284 VanDerWaalsContact CE2-NH2 3.31Å; Y281-R284 PolarHBondContact O-N 2.91Å; Y281-K285 HydrophobicContact CE1-CD 4.13Å; Y281-K285 WeakPolarHBondContact O-CB 3.36Å; Y281-K285 PolarHBondContact O-N 3.06Å |
| 282 | L | 91.1 | Very high | 88.8 | Confident | 36 Ų | 36 | 78 Ų | 78 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 178.2 | -71.5 | 174 | 0 | 0 | 0 | 112.1 | W263 Y274 E278 R279 L280 K285 S286 W311 | W263-L282 HydrophobicContact CH2-CG 4.32Å; W263-L282 HydrophobicContact CZ2-CD1 4.47Å; W263-L282 HydrophobicContact CZ2-CD2 4.14Å; W263-L282 HydrophobicContact CZ2-CG 4.28Å; Y274-L282 HydrophobicContact CD1-CD1 4.05Å; Y274-L282 HydrophobicContact CD2-CD1 4.3Å; Y274-L282 HydrophobicContact CE1-CD1 3.96Å; Y274-L282 HydrophobicContact CE2-CD1 4.22Å; Y274-L282 HydrophobicContact CG-CD1 4.22Å; E278-L282 WeakPolarHBondContact O-CG 3.33Å; E278-L282 PolarHBondContact O-N 3.47Å; R279-L282 PolarHBondContact O-N 3.41Å; L280-L282 PolarHBondContact O-N 3.41Å; L282-K285 PolarHBondContact O-N 3.21Å; L282-S286 PolarHBondContact O-N 3.19Å; L282-S286 PolarHBondContact O-OG 3.49Å; L282-W311 HydrophobicContact CB-CB 3.69Å; L282-W311 HydrophobicContact CD1-CB 4.22Å |
| 283 | I | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 174.1 | -67.9 | 163.7 | 0 | 0 | 0 | 110.1 | R279 L280 K285 S286 M287 F294 F305 L306 L310 W311 | R279-I283 VanDerWaalsContact O-CG1 3.24Å; R279-I283 WeakPolarHBondContact O-CG1 3.42Å; R279-I283 PolarHBondContact O-N 2.78Å; L280-I283 PolarHBondContact O-N 2.82Å; I283-K285 PolarHBondContact O-N 2.97Å; I283-S286 PolarHBondContact O-N 3.06Å; I283-S286 PolarHBondContact O-OG 3.32Å; I283-M287 HydrophobicContact CG2-CG 4.39Å; I283-M287 HydrophobicContact CG2-SD 3.78Å; I283-M287 WeakPolarHBondContact O-CB 3.45Å; I283-M287 VanDerWaalsContact O-CG 3.26Å; I283-M287 WeakPolarHBondContact O-CG 3.19Å; I283-M287 PolarHBondContact O-N 3.31Å; I283-F294 HydrophobicContact CG2-CE2 4.17Å; I283-F305 HydrophobicContact CD1-CB 4Å; I283-F305 HydrophobicContact CG2-CB 4.05Å; I283-F305 HydrophobicContact CG2-CD2 4.04Å; I283-F305 HydrophobicContact CG2-CG 4.35Å; I283-L306 HydrophobicContact CD1-CD2 3.94Å; I283-L306 HydrophobicContact CD1-CG 4.42Å; I283-L310 HydrophobicContact CG1-CB 4.09Å; I283-L310 HydrophobicContact CG2-CB 4.37Å; I283-W311 HydrophobicContact CD1-CE3 4.1Å; I283-W311 HydrophobicContact CG1-CB 4.1Å; I283-W311 HydrophobicContact CG1-CE3 4.48Å |
| 284 | R | 93.3 | Very high | 88.7 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.9 | -41.8 | 177.5 | -176.7 | -173.6 | 66.9 | 77.6 | -1.2 | 111.4 | L280 Y281 K288 M289 Q291 F294 | L280-R284 WeakPolarHBondContact O-CB 3.43Å; L280-R284 PolarHBondContact O-N 3.25Å; Y281-R284 VanDerWaalsContact CE2-NH2 3.31Å; Y281-R284 PolarHBondContact O-N 2.91Å; R284-K288 PolarHBondContact O-N 2.94Å; R284-M289 HydrophobicContact CG-CB 4.35Å; R284-M289 PolarHBondContact NH1-O 2.75Å; R284-M289 VanDerWaalsContact NH1-O 3.15Å; R284-M289 PolarHBondContact O-N 3.1Å; R284-Q291 VanDerWaalsContact CD-OE1 3.27Å; R284-F294 HydrophobicContact CB-CD1 4.33Å; R284-F294 HydrophobicContact CB-CD2 3.81Å; R284-F294 HydrophobicContact CB-CE2 4.03Å; R284-F294 HydrophobicContact CB-CG 3.96Å; R284-F294 HydrophobicContact CB-CZ 4.38Å; R284-F294 HydrophobicContact CG-CB 3.81Å; R284-F294 HydrophobicContact CG-CD1 4.43Å; R284-F294 HydrophobicContact CG-CD2 3.93Å; R284-F294 HydrophobicContact CG-CG 3.8Å |
| 285 | K | 90.5 | Very high | 88.6 | Confident | 128 Ų | 128 | 69.7 Ų | 69.7 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.2 | -42 | 179.2 | -172 | 178.3 | -179.8 | -179 | 0 | 112.1 | Y281 L282 I283 M287 K288 | Y281-K285 HydrophobicContact CE1-CD 4.13Å; Y281-K285 WeakPolarHBondContact O-CB 3.36Å; Y281-K285 PolarHBondContact O-N 3.06Å; L282-K285 PolarHBondContact O-N 3.21Å; I283-K285 PolarHBondContact O-N 2.97Å; K285-M287 VanDerWaalsContact C-N 3.32Å; K285-K288 PolarHBondContact O-N 3.07Å |
| 286 | S | 89.3 | Confident | 88.3 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | L282 I283 K288 L310 | L282-S286 PolarHBondContact O-N 3.19Å; L282-S286 PolarHBondContact O-OG 3.49Å; I283-S286 PolarHBondContact O-N 3.06Å; I283-S286 PolarHBondContact O-OG 3.32Å; S286-K288 VanDerWaalsContact C-N 3.26Å; S286-K288 PolarHBondContact O-N 3.47Å; S286-L310 PolarHBondContact OG-O 3.34Å |
| 287 | M | 87.7 | Confident | 88.4 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 19% | 0.187 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.9 | 177.3 | -63.7 | -177.5 | 83.9 | 0 | 0 | 114.6 | I283 K285 M289 F305 Y316 Y319 | I283-M287 HydrophobicContact CG2-CG 4.39Å; I283-M287 HydrophobicContact CG2-SD 3.78Å; I283-M287 WeakPolarHBondContact O-CB 3.45Å; I283-M287 VanDerWaalsContact O-CG 3.26Å; I283-M287 WeakPolarHBondContact O-CG 3.19Å; I283-M287 PolarHBondContact O-N 3.31Å; K285-M287 VanDerWaalsContact C-N 3.32Å; M287-M289 HydrophobicContact CB-CG 3.85Å; M287-M289 HydrophobicContact CB-SD 3.96Å; M287-M289 HydrophobicContact CE-SD 3.95Å; M287-M289 PolarHBondContact O-N 3.39Å; M287-M289 HydrophobicContact SD-SD 4.12Å; M287-F305 HydrophobicContact CE-CE2 4.1Å; M287-F305 HydrophobicContact CE-CZ 3.99Å; M287-F305 HydrophobicContact SD-CD2 4.26Å; M287-F305 HydrophobicContact SD-CE2 3.95Å; M287-F305 HydrophobicContact SD-CZ 4.39Å; M287-Y316 HydrophobicContact CB-CE2 4.43Å; M287-Y316 HydrophobicContact CG-CD2 4.2Å; M287-Y316 HydrophobicContact CG-CE2 3.56Å; M287-Y319 HydrophobicContact CE-CE1 4.48Å |
| 288 | K | 87.6 | Confident | 88.4 | Confident | 193 Ų | 193 | 64.6 Ų | 64.6 | 84% | 0.839 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 35.1 | -176.1 | -57.5 | -176.4 | 178.5 | -178.1 | 0 | 113.7 | R284 K285 S286 | R284-K288 PolarHBondContact O-N 2.94Å; K285-K288 PolarHBondContact O-N 3.07Å; S286-K288 VanDerWaalsContact C-N 3.26Å; S286-K288 PolarHBondContact O-N 3.47Å |
| 289 | M | 86.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | trans | -91.4 | 144.9 | 179.4 | -64.7 | 178.8 | 69.2 | 0 | 0 | 111.5 | R284 M287 Q293 F294 L297 | R284-M289 HydrophobicContact CG-CB 4.35Å; R284-M289 PolarHBondContact NH1-O 2.75Å; R284-M289 VanDerWaalsContact NH1-O 3.15Å; R284-M289 PolarHBondContact O-N 3.1Å; M287-M289 HydrophobicContact CB-CG 3.85Å; M287-M289 HydrophobicContact CB-SD 3.96Å; M287-M289 HydrophobicContact CE-SD 3.95Å; M287-M289 PolarHBondContact O-N 3.39Å; M287-M289 HydrophobicContact SD-SD 4.12Å; M289-Q293 HydrophobicContact CB-CB 4.37Å; M289-Q293 HydrophobicContact CE-CB 3.83Å; M289-F294 HydrophobicContact SD-CD2 4.49Å; M289-L297 HydrophobicContact CE-CD1 3.95Å; M289-L297 HydrophobicContact CE-CD2 4.25Å; M289-L297 HydrophobicContact CE-CG 4.21Å; M289-L297 HydrophobicContact SD-CD1 4.37Å | ||
| 290 | S | 86.9 | Confident | 88.3 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | trans | -65 | 157.8 | 167.3 | 75.8 | 0 | 0 | 0 | 0 | 110.3 | S292 Q293 F294 | S290-S292 VanDerWaalsContact C-N 3.29Å; S290-S292 PolarHBondContact O-N 3.17Å; S290-S292 PolarHBondContact OG-OG 2.97Å; S290-Q293 VanDerWaalsContact N-OE1 3.1Å; S290-Q293 PolarHBondContact O-N 3.08Å; S290-Q293 WeakPolarHBondContact OG-CB 3.33Å; S290-Q293 VanDerWaalsContact OG-CG 3.24Å; S290-Q293 WeakPolarHBondContact OG-CG 3.22Å; S290-Q293 PolarHBondContact OG-N 2.71Å; S290-Q293 VanDerWaalsContact OG-N 3.12Å; S290-F294 PolarHBondContact O-N 3.32Å | ||
| 291 | Q | 86 | Confident | 88.2 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 176.1 | -171.4 | 63.6 | 36 | 0 | 0 | 111.1 | R284 Q293 F294 D295 | R284-Q291 VanDerWaalsContact CD-OE1 3.27Å; Q291-Q293 PolarHBondContact O-N 3.23Å; Q291-F294 PolarHBondContact O-N 2.76Å; Q291-F294 VanDerWaalsContact O-N 3.14Å; Q291-D295 PolarHBondContact NE2-OD1 2.79Å; Q291-D295 WeakPolarHBondContact O-CB 3.34Å; Q291-D295 PolarHBondContact O-N 2.95Å |
| 292 | S | 82.8 | Confident | 88.1 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -37 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | S290 S296 | S290-S292 VanDerWaalsContact C-N 3.29Å; S290-S292 PolarHBondContact O-N 3.17Å; S290-S292 PolarHBondContact OG-OG 2.97Å; S292-S296 WeakPolarHBondContact O-CB 3.42Å; S292-S296 PolarHBondContact O-N 3.29Å; S292-S296 VanDerWaalsContact O-N 3.1Å |
| 293 | Q | 84.6 | Confident | 88.2 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 174.6 | -76.1 | 171.5 | -21.5 | 0 | 0 | 110.9 | M289 S290 Q291 S296 | M289-Q293 HydrophobicContact CB-CB 4.37Å; M289-Q293 HydrophobicContact CE-CB 3.83Å; S290-Q293 VanDerWaalsContact N-OE1 3.1Å; S290-Q293 PolarHBondContact O-N 3.08Å; S290-Q293 WeakPolarHBondContact OG-CB 3.33Å; S290-Q293 VanDerWaalsContact OG-CG 3.24Å; S290-Q293 WeakPolarHBondContact OG-CG 3.22Å; S290-Q293 PolarHBondContact OG-N 2.71Å; S290-Q293 VanDerWaalsContact OG-N 3.12Å; Q291-Q293 PolarHBondContact O-N 3.23Å; Q293-S296 WeakPolarHBondContact O-CB 3.45Å; Q293-S296 PolarHBondContact O-N 2.95Å; Q293-S296 PolarHBondContact O-OG 2.73Å |
| 294 | F | 87.8 | Confident | 88.2 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 179 | -168 | -100.2 | 0 | 0 | 0 | 112.1 | L280 I283 R284 M289 S290 Q291 S296 L297 K302 F305 | L280-F294 HydrophobicContact CB-CE1 4.28Å; L280-F294 HydrophobicContact CB-CZ 4.37Å; L280-F294 HydrophobicContact CD2-CE1 4.26Å; L280-F294 HydrophobicContact CD2-CZ 3.92Å; I283-F294 HydrophobicContact CG2-CE2 4.17Å; R284-F294 HydrophobicContact CB-CD1 4.33Å; R284-F294 HydrophobicContact CB-CD2 3.81Å; R284-F294 HydrophobicContact CB-CE2 4.03Å; R284-F294 HydrophobicContact CB-CG 3.96Å; R284-F294 HydrophobicContact CB-CZ 4.38Å; R284-F294 HydrophobicContact CG-CB 3.81Å; R284-F294 HydrophobicContact CG-CD1 4.43Å; R284-F294 HydrophobicContact CG-CD2 3.93Å; R284-F294 HydrophobicContact CG-CG 3.8Å; M289-F294 HydrophobicContact SD-CD2 4.49Å; S290-F294 PolarHBondContact O-N 3.32Å; Q291-F294 PolarHBondContact O-N 2.76Å; Q291-F294 VanDerWaalsContact O-N 3.14Å; F294-S296 PolarHBondContact O-N 2.96Å; F294-L297 HydrophobicContact CD2-CD1 3.88Å; F294-L297 HydrophobicContact CE2-CD1 4.23Å; F294-L297 WeakPolarHBondContact O-CB 3.45Å; F294-L297 WeakPolarHBondContact O-CG 3.4Å; F294-L297 PolarHBondContact O-N 2.67Å; F294-L297 VanDerWaalsContact O-N 3.17Å; F294-K302 HydrophobicContact CE1-CD 4.49Å; F294-K302 HydrophobicContact CZ-CG 4.46Å; F294-K302 WeakPolarHBondContact O-CE 3.4Å; F294-F305 HydrophobicContact CE2-CD2 4.48Å |
| 295 | D | 85.6 | Confident | 88.1 | Confident | 80 Ų | 80 | 73 Ų | 73 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.4 | -17.7 | 174.5 | -59.9 | -19.4 | 0 | 0 | 0 | 112.3 | K230 Q291 L297 | K230-D295 PolarHBondContact NZ-O 3.36Å; Q291-D295 PolarHBondContact NE2-OD1 2.79Å; Q291-D295 WeakPolarHBondContact O-CB 3.34Å; Q291-D295 PolarHBondContact O-N 2.95Å; D295-L297 VanDerWaalsContact C-N 3.33Å |
| 296 | S | 83.4 | Confident | 88.2 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -76.5 | -20.3 | 174.3 | 81.4 | 0 | 0 | 0 | 0 | 114.1 | S292 Q293 F294 | S292-S296 WeakPolarHBondContact O-CB 3.42Å; S292-S296 PolarHBondContact O-N 3.29Å; S292-S296 VanDerWaalsContact O-N 3.1Å; Q293-S296 WeakPolarHBondContact O-CB 3.45Å; Q293-S296 PolarHBondContact O-N 2.95Å; Q293-S296 PolarHBondContact O-OG 2.73Å; F294-S296 PolarHBondContact O-N 2.96Å |
| 297 | L | 87.5 | Confident | 88.3 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -68.8 | 145.7 | 179.7 | -59.6 | 174.5 | 0 | 0 | 0 | 111.1 | M289 F294 D295 K302 F305 | M289-L297 HydrophobicContact CE-CD1 3.95Å; M289-L297 HydrophobicContact CE-CD2 4.25Å; M289-L297 HydrophobicContact CE-CG 4.21Å; M289-L297 HydrophobicContact SD-CD1 4.37Å; F294-L297 HydrophobicContact CD2-CD1 3.88Å; F294-L297 HydrophobicContact CE2-CD1 4.23Å; F294-L297 WeakPolarHBondContact O-CB 3.45Å; F294-L297 WeakPolarHBondContact O-CG 3.4Å; F294-L297 PolarHBondContact O-N 2.67Å; F294-L297 VanDerWaalsContact O-N 3.17Å; D295-L297 VanDerWaalsContact C-N 3.33Å; L297-K302 HydrophobicContact CB-CG 4.5Å; L297-K302 WeakPolarHBondContact O-CE 3.37Å; L297-K302 PolarHBondContact O-NZ 2.93Å; L297-F305 HydrophobicContact CD1-CE2 3.77Å; L297-F305 HydrophobicContact CD1-CZ 4.48Å |
| 298 | E | 88.1 | Confident | 88.5 | Confident | 124 Ų | 124 | 77.9 Ų | 77.9 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | trans | -68.3 | 147.1 | 174.6 | -64.9 | -177.6 | -155.6 | 0 | 0 | 110.6 | H300 Q301 K302 | E298-H300 VanDerWaalsContact CB-ND1 3.3Å; E298-H300 WeakPolarHBondContact CB-ND1 3.49Å; E298-H300 PolarHBondContact O-N 3.29Å; E298-H300 IonicContact OE2-CE1 2.93Å; E298-H300 PolarHBondContact OE2-CE1 3.29Å; E298-H300 IonicContact OE2-ND1 3.26Å; E298-H300 PolarHBondContact OE2-ND1 2.92Å; E298-Q301 HydrophobicContact CB-CG 4.31Å; E298-Q301 WeakPolarHBondContact O-CB 3.01Å; E298-Q301 PolarHBondContact O-N 3.32Å; E298-K302 PolarHBondContact O-N 2.98Å | ||
| 299 | D | 88.4 | Confident | 88.7 | Confident | 112 Ų | 112 | 73.1 Ų | 73.1 | 60% | 0.599 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.1 | -31.4 | -173.7 | -61.8 | -33.3 | 0 | 0 | 0 | 112.3 | Q301 K302 E303 | D299-Q301 PolarHBondContact O-N 3.09Å; D299-K302 PolarHBondContact O-N 2.85Å; D299-K302 VanDerWaalsContact O-N 3.16Å; D299-K302 IonicContact OD1-NZ 2.79Å; D299-K302 PolarHBondContact OD1-NZ 2.83Å; D299-E303 PolarHBondContact O-N 2.77Å |
| 300 | H | 91.5 | Very high | 88.9 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -32.3 | 173.2 | 84.1 | -95.5 | 0 | 0 | 0 | 112.7 | E298 T304 | E298-H300 VanDerWaalsContact CB-ND1 3.3Å; E298-H300 WeakPolarHBondContact CB-ND1 3.49Å; E298-H300 PolarHBondContact O-N 3.29Å; E298-H300 IonicContact OE2-CE1 2.93Å; E298-H300 PolarHBondContact OE2-CE1 3.29Å; E298-H300 IonicContact OE2-ND1 3.26Å; E298-H300 PolarHBondContact OE2-ND1 2.92Å; H300-T304 PolarHBondContact O-N 3.48Å; H300-T304 PolarHBondContact O-OG1 3.17Å |
| 301 | Q | 89.8 | Confident | 89.1 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.4 | -43 | 177.4 | -60.8 | -173.2 | -41.3 | 0 | 0 | 110.3 | E298 D299 E303 T304 F305 | E298-Q301 HydrophobicContact CB-CG 4.31Å; E298-Q301 WeakPolarHBondContact O-CB 3.01Å; E298-Q301 PolarHBondContact O-N 3.32Å; D299-Q301 PolarHBondContact O-N 3.09Å; Q301-E303 VanDerWaalsContact C-N 3.33Å; Q301-E303 PolarHBondContact O-N 2.98Å; Q301-T304 WeakPolarHBondContact O-CB 3.32Å; Q301-T304 PolarHBondContact O-N 3.4Å; Q301-T304 VanDerWaalsContact O-N 3.1Å; Q301-F305 HydrophobicContact CB-CZ 4.33Å; Q301-F305 WeakPolarHBondContact O-CD1 3.41Å; Q301-F305 WeakPolarHBondContact O-CG 3.45Å; Q301-F305 PolarHBondContact O-N 2.9Å |
| 302 | K | 90.1 | Very high | 89.3 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.1 | -61 | 175.3 | -166.7 | 153.4 | 0 | 111.2 | L280 F294 L297 E298 D299 T304 F305 L306 | L280-K302 HydrophobicContact CD2-CB 4.27Å; F294-K302 HydrophobicContact CE1-CD 4.49Å; F294-K302 HydrophobicContact CZ-CG 4.46Å; F294-K302 WeakPolarHBondContact O-CE 3.4Å; L297-K302 HydrophobicContact CB-CG 4.5Å; L297-K302 WeakPolarHBondContact O-CE 3.37Å; L297-K302 PolarHBondContact O-NZ 2.93Å; E298-K302 PolarHBondContact O-N 2.98Å; D299-K302 PolarHBondContact O-N 2.85Å; D299-K302 VanDerWaalsContact O-N 3.16Å; D299-K302 IonicContact OD1-NZ 2.79Å; D299-K302 PolarHBondContact OD1-NZ 2.83Å; K302-T304 VanDerWaalsContact C-N 3.31Å; K302-T304 PolarHBondContact O-N 3.14Å; K302-F305 WeakPolarHBondContact O-CB 3.3Å; K302-F305 PolarHBondContact O-N 2.93Å; K302-L306 WeakPolarHBondContact O-CG 3.19Å; K302-L306 PolarHBondContact O-N 2.68Å |
| 303 | E | 91.7 | Very high | 89.6 | Confident | 101 Ų | 101 | 72.9 Ų | 72.9 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 172.7 | -76.5 | -174.5 | -157.6 | 0 | 0 | 112.4 | D299 Q301 F305 L306 K307 | D299-E303 PolarHBondContact O-N 2.77Å; Q301-E303 VanDerWaalsContact C-N 3.33Å; Q301-E303 PolarHBondContact O-N 2.98Å; E303-F305 VanDerWaalsContact C-N 3.28Å; E303-F305 PolarHBondContact O-N 2.83Å; E303-L306 PolarHBondContact O-N 3.05Å; E303-K307 WeakPolarHBondContact O-CB 3.04Å; E303-K307 VanDerWaalsContact O-CG 3.3Å; E303-K307 WeakPolarHBondContact O-CG 3.08Å; E303-K307 PolarHBondContact O-N 2.82Å; E303-K307 IonicContact OE2-NZ 3.92Å; E303-K307 PolarHBondContact OE2-NZ 2.97Å |
| 304 | T | 92.3 | Very high | 89.9 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | H300 Q301 K302 K307 R308 | H300-T304 PolarHBondContact O-N 3.48Å; H300-T304 PolarHBondContact O-OG1 3.17Å; Q301-T304 WeakPolarHBondContact O-CB 3.32Å; Q301-T304 PolarHBondContact O-N 3.4Å; Q301-T304 VanDerWaalsContact O-N 3.1Å; K302-T304 VanDerWaalsContact C-N 3.31Å; K302-T304 PolarHBondContact O-N 3.14Å; T304-K307 PolarHBondContact O-N 2.04Å; T304-R308 WeakPolarHBondContact O-CB 3.42Å; T304-R308 WeakPolarHBondContact O-CG 3.19Å; T304-R308 PolarHBondContact O-N 3.49Å |
| 305 | F | 92.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 77.2 Ų | 77.2 | 5% | 0.048 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 176.2 | -57.5 | -20.6 | 0 | 0 | 0 | 112.6 | I283 M287 F294 L297 Q301 K302 E303 E309 L310 Y319 | I283-F305 HydrophobicContact CD1-CB 4Å; I283-F305 HydrophobicContact CG2-CB 4.05Å; I283-F305 HydrophobicContact CG2-CD2 4.04Å; I283-F305 HydrophobicContact CG2-CG 4.35Å; M287-F305 HydrophobicContact CE-CE2 4.1Å; M287-F305 HydrophobicContact CE-CZ 3.99Å; M287-F305 HydrophobicContact SD-CD2 4.26Å; M287-F305 HydrophobicContact SD-CE2 3.95Å; M287-F305 HydrophobicContact SD-CZ 4.39Å; F294-F305 HydrophobicContact CE2-CD2 4.48Å; L297-F305 HydrophobicContact CD1-CE2 3.77Å; L297-F305 HydrophobicContact CD1-CZ 4.48Å; Q301-F305 HydrophobicContact CB-CZ 4.33Å; Q301-F305 WeakPolarHBondContact O-CD1 3.41Å; Q301-F305 WeakPolarHBondContact O-CG 3.45Å; Q301-F305 PolarHBondContact O-N 2.9Å; K302-F305 WeakPolarHBondContact O-CB 3.3Å; K302-F305 PolarHBondContact O-N 2.93Å; E303-F305 VanDerWaalsContact C-N 3.28Å; E303-F305 PolarHBondContact O-N 2.83Å; F305-E309 PolarHBondContact O-N 2.81Å; F305-L310 HydrophobicContact CB-CD1 3.81Å; F305-L310 HydrophobicContact CB-CG 4.31Å; F305-L310 HydrophobicContact CD1-CD1 3.48Å; F305-L310 VanDerWaalsContact CD1-CD1 3.48Å; F305-L310 HydrophobicContact CE1-CD1 4.28Å; F305-L310 HydrophobicContact CG-CD1 3.82Å; F305-L310 PolarHBondContact O-N 2.89Å; F305-L310 VanDerWaalsContact O-N 3.16Å; F305-Y319 HydrophobicContact CE1-CE1 4.21Å; F305-Y319 AromaticContact CE1-CZ 3.91Å; F305-Y319 WeakPolarHBondContact CE1-OH 3.09Å |
| 306 | L | 91.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 75.4 Ų | 75.4 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 173.9 | -72.2 | 171.4 | 0 | 0 | 0 | 111.3 | E276 R279 L280 I283 K302 E303 R308 E309 W311 | E276-L306 HydrophobicContact CG-CD1 3.75Å; E276-L306 HydrophobicContact CG-CD2 4.43Å; R279-L306 HydrophobicContact CB-CD2 3.76Å; L280-L306 HydrophobicContact CD2-CD1 3.98Å; L280-L306 HydrophobicContact CD2-CD2 3.98Å; L280-L306 HydrophobicContact CD2-CG 3.89Å; L280-L306 HydrophobicContact CG-CD1 4.34Å; L280-L306 HydrophobicContact CG-CD2 4.14Å; L280-L306 HydrophobicContact CG-CG 4.47Å; I283-L306 HydrophobicContact CD1-CD2 3.94Å; I283-L306 HydrophobicContact CD1-CG 4.42Å; K302-L306 WeakPolarHBondContact O-CG 3.19Å; K302-L306 PolarHBondContact O-N 2.68Å; E303-L306 PolarHBondContact O-N 3.05Å; L306-R308 VanDerWaalsContact C-N 3.28Å; L306-R308 PolarHBondContact O-N 3.13Å; L306-E309 PolarHBondContact O-N 3.33Å; L306-E309 VanDerWaalsContact O-N 3.08Å; L306-W311 HydrophobicContact CD2-CE3 4.5Å; L306-W311 HydrophobicContact CD2-CZ3 4.16Å; L306-W311 VanDerWaalsContact O-CZ3 3.3Å; L306-W311 WeakPolarHBondContact O-CZ3 3.39Å |
| 307 | K | 92.4 | Very high | 90.9 | Very high | 157 Ų | 157 | 77 Ų | 77 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.3 | -33.3 | 177.7 | -73.9 | 169.3 | -175.3 | 161.4 | 0 | 112.9 | E303 T304 E309 | E303-K307 WeakPolarHBondContact O-CB 3.04Å; E303-K307 VanDerWaalsContact O-CG 3.3Å; E303-K307 WeakPolarHBondContact O-CG 3.08Å; E303-K307 PolarHBondContact O-N 2.82Å; E303-K307 IonicContact OE2-NZ 3.92Å; E303-K307 PolarHBondContact OE2-NZ 2.97Å; T304-K307 PolarHBondContact O-N 2.04Å; K307-E309 VanDerWaalsContact C-N 3.32Å |
| 308 | R | 90.9 | Very high | 91.2 | Very high | 115 Ų | 115 | 79.1 Ų | 79.1 | 43% | 0.434 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.2 | 176.8 | -69.6 | -175.2 | 177 | -143.5 | 4.4 | 113.9 | T304 L306 L310 E322 | T304-R308 WeakPolarHBondContact O-CB 3.42Å; T304-R308 WeakPolarHBondContact O-CG 3.19Å; T304-R308 PolarHBondContact O-N 3.49Å; L306-R308 VanDerWaalsContact C-N 3.28Å; L306-R308 PolarHBondContact O-N 3.13Å; R308-L310 VanDerWaalsContact C-N 3.3Å; R308-L310 HydrophobicContact CB-CD2 3.77Å; R308-L310 HydrophobicContact CB-CG 3.96Å; R308-L310 PolarHBondContact O-N 3.46Å; R308-E322 IonicContact CZ-OE2 3Å; R308-E322 IonicContact NH1-OE2 2.9Å; R308-E322 PolarHBondContact NH1-OE2 2.8Å |
| 309 | E | 91.7 | Very high | 91.4 | Very high | 93 Ų | 93 | 74.9 Ų | 74.9 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 43.1 | 178.6 | -48 | -165.2 | 146.3 | 0 | 0 | 114.3 | F305 L306 K307 W311 V312 | F305-E309 PolarHBondContact O-N 2.81Å; L306-E309 PolarHBondContact O-N 3.33Å; L306-E309 VanDerWaalsContact O-N 3.08Å; K307-E309 VanDerWaalsContact C-N 3.32Å; E309-W311 VanDerWaalsContact CA-CZ3 3.47Å; E309-W311 HydrophobicContact CB-CD2 4.37Å; E309-W311 HydrophobicContact CB-CE3 4.33Å; E309-W311 HydrophobicContact CB-CH2 3.63Å; E309-W311 HydrophobicContact CB-CZ2 3.65Å; E309-W311 HydrophobicContact CB-CZ3 4Å; E309-W311 HydrophobicContact CG-CH2 3.47Å; E309-W311 VanDerWaalsContact CG-CH2 3.47Å; E309-W311 HydrophobicContact CG-CZ2 3.72Å; E309-W311 HydrophobicContact CG-CZ3 4.17Å; E309-W311 PolarHBondContact O-N 3.45Å; E309-V312 PolarHBondContact O-N 3.49Å |
| 310 | L | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 0.6 | -174.1 | -58 | -173.8 | 0 | 0 | 0 | 114.4 | I283 S286 F305 R308 Y319 | I283-L310 HydrophobicContact CG1-CB 4.09Å; I283-L310 HydrophobicContact CG2-CB 4.37Å; S286-L310 PolarHBondContact OG-O 3.34Å; F305-L310 HydrophobicContact CB-CD1 3.81Å; F305-L310 HydrophobicContact CB-CG 4.31Å; F305-L310 HydrophobicContact CD1-CD1 3.48Å; F305-L310 VanDerWaalsContact CD1-CD1 3.48Å; F305-L310 HydrophobicContact CE1-CD1 4.28Å; F305-L310 HydrophobicContact CG-CD1 3.82Å; F305-L310 PolarHBondContact O-N 2.89Å; F305-L310 VanDerWaalsContact O-N 3.16Å; R308-L310 VanDerWaalsContact C-N 3.3Å; R308-L310 HydrophobicContact CB-CD2 3.77Å; R308-L310 HydrophobicContact CB-CG 3.96Å; R308-L310 PolarHBondContact O-N 3.46Å; L310-Y319 HydrophobicContact CD1-CD1 3.67Å; L310-Y319 HydrophobicContact CD1-CD2 4.48Å; L310-Y319 HydrophobicContact CD1-CE1 3.96Å; L310-Y319 HydrophobicContact CD1-CG 3.94Å; L310-Y319 HydrophobicContact CD2-CD1 4.34Å; L310-Y319 HydrophobicContact CD2-CG 3.95Å |
| 311 | W | 90 | Very high | 91.7 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -19.7 | 168.1 | 64.4 | 85.1 | 0 | 0 | 0 | 111.8 | R279 L282 I283 L306 E309 | R279-W311 HydrophobicContact CB-CD2 4.12Å; R279-W311 HydrophobicContact CB-CE3 3.7Å; R279-W311 HydrophobicContact CB-CZ3 4.14Å; R279-W311 HydrophobicContact CG-CD2 3.81Å; R279-W311 HydrophobicContact CG-CE3 3.75Å; R279-W311 HydrophobicContact CG-CG 4.35Å; R279-W311 HydrophobicContact CG-CH2 4.37Å; R279-W311 HydrophobicContact CG-CZ2 4.43Å; R279-W311 HydrophobicContact CG-CZ3 4.01Å; L282-W311 HydrophobicContact CB-CB 3.69Å; L282-W311 HydrophobicContact CD1-CB 4.22Å; I283-W311 HydrophobicContact CD1-CE3 4.1Å; I283-W311 HydrophobicContact CG1-CB 4.1Å; I283-W311 HydrophobicContact CG1-CE3 4.48Å; L306-W311 HydrophobicContact CD2-CE3 4.5Å; L306-W311 HydrophobicContact CD2-CZ3 4.16Å; L306-W311 VanDerWaalsContact O-CZ3 3.3Å; L306-W311 WeakPolarHBondContact O-CZ3 3.39Å; E309-W311 VanDerWaalsContact CA-CZ3 3.47Å; E309-W311 HydrophobicContact CB-CD2 4.37Å; E309-W311 HydrophobicContact CB-CE3 4.33Å; E309-W311 HydrophobicContact CB-CH2 3.63Å; E309-W311 HydrophobicContact CB-CZ2 3.65Å; E309-W311 HydrophobicContact CB-CZ3 4Å; E309-W311 HydrophobicContact CG-CH2 3.47Å; E309-W311 VanDerWaalsContact CG-CH2 3.47Å; E309-W311 HydrophobicContact CG-CZ2 3.72Å; E309-W311 HydrophobicContact CG-CZ3 4.17Å; E309-W311 PolarHBondContact O-N 3.45Å |
| 312 | V | 90 | Very high | 91.9 | Very high | 52 Ų | 52 | 75.8 Ų | 75.8 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -82.1 | 128.1 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | E309 E314 N315 Y316 | E309-V312 PolarHBondContact O-N 3.49Å; V312-E314 VanDerWaalsContact C-N 3.33Å; V312-E314 HydrophobicContact CG1-CB 4.49Å; V312-E314 PolarHBondContact O-N 2.84Å; V312-N315 HydrophobicContact CB-CB 4.36Å; V312-N315 PolarHBondContact O-N 3.1Å; V312-Y316 PolarHBondContact O-N 3.31Å; V312-Y316 VanDerWaalsContact O-N 3.08Å |
| 313 | K | 89.3 | Confident | 92 | Very high | 152 Ų | 152 | 77.5 Ų | 77.5 | 66% | 0.661 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | -172.7 | -172.6 | -178.8 | 173.3 | -164.7 | 0 | 112.9 | Y316 E317 | K313-Y316 PolarHBondContact O-N 3.48Å; K313-E317 WeakPolarHBondContact CE-OE1 3.44Å; K313-E317 IonicContact NZ-OE1 3.86Å; K313-E317 WeakPolarHBondContact O-CG 3.36Å; K313-E317 PolarHBondContact O-N 3.07Å |
| 314 | E | 92.1 | Very high | 92 | Very high | 144 Ų | 144 | 76.9 Ų | 76.9 | 67% | 0.673 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.5 | -48.1 | -179.5 | -65.9 | 168.2 | -169.2 | 0 | 0 | 111.5 | V312 Y316 E317 V318 | V312-E314 VanDerWaalsContact C-N 3.33Å; V312-E314 HydrophobicContact CG1-CB 4.49Å; V312-E314 PolarHBondContact O-N 2.84Å; E314-Y316 VanDerWaalsContact C-N 3.28Å; E314-Y316 PolarHBondContact O-N 3.43Å; E314-E317 PolarHBondContact O-N 3.11Å; E314-E317 VanDerWaalsContact O-N 3.14Å; E314-V318 PolarHBondContact O-N 3.03Å; E314-V318 VanDerWaalsContact O-N 3.11Å |
| 315 | N | 92.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 79.3 Ų | 79.3 | 32% | 0.316 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 176.8 | -65.2 | -10.9 | 0 | 0 | 0 | 111.7 | V312 Y319 | V312-N315 HydrophobicContact CB-CB 4.36Å; V312-N315 PolarHBondContact O-N 3.1Å; N315-Y319 WeakPolarHBondContact O-CB 3.4Å; N315-Y319 PolarHBondContact O-N 3.06Å |
| 316 | Y | 92.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 83 Ų | 83 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 175.1 | 174.9 | -106.7 | 0 | 0 | 0 | 112.9 | M287 V312 K313 E314 Y319 K320 | M287-Y316 HydrophobicContact CB-CE2 4.43Å; M287-Y316 HydrophobicContact CG-CD2 4.2Å; M287-Y316 HydrophobicContact CG-CE2 3.56Å; V312-Y316 PolarHBondContact O-N 3.31Å; V312-Y316 VanDerWaalsContact O-N 3.08Å; K313-Y316 PolarHBondContact O-N 3.48Å; E314-Y316 VanDerWaalsContact C-N 3.28Å; E314-Y316 PolarHBondContact O-N 3.43Å; Y316-Y319 PolarHBondContact O-N 3.3Å; Y316-K320 HydrophobicContact CE1-CD 4.39Å; Y316-K320 VanDerWaalsContact O-CB 3.29Å; Y316-K320 WeakPolarHBondContact O-CB 3.46Å; Y316-K320 PolarHBondContact O-N 3.4Å |
| 317 | E | 91.4 | Very high | 92.2 | Very high | 88 Ų | 88 | 86.6 Ų | 86.6 | 41% | 0.411 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 178.2 | -75.4 | 178.2 | -173.3 | 0 | 0 | 111.8 | K313 E314 K320 Q321 | K313-E317 WeakPolarHBondContact CE-OE1 3.44Å; K313-E317 IonicContact NZ-OE1 3.86Å; K313-E317 WeakPolarHBondContact O-CG 3.36Å; K313-E317 PolarHBondContact O-N 3.07Å; E314-E317 PolarHBondContact O-N 3.11Å; E314-E317 VanDerWaalsContact O-N 3.14Å; E317-K320 PolarHBondContact O-N 3.01Å; E317-Q321 WeakPolarHBondContact O-CG 3.36Å; E317-Q321 PolarHBondContact O-N 2.89Å |
| 318 | V | 94.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 85.4 Ų | 85.4 | 47% | 0.473 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 173.3 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | E314 K320 Q321 E322 | E314-V318 PolarHBondContact O-N 3.03Å; E314-V318 VanDerWaalsContact O-N 3.11Å; V318-K320 VanDerWaalsContact C-N 3.29Å; V318-K320 PolarHBondContact O-N 2.86Å; V318-Q321 WeakPolarHBondContact O-CB 3.44Å; V318-Q321 PolarHBondContact O-N 3.09Å; V318-Q321 VanDerWaalsContact O-N 3.14Å; V318-E322 WeakPolarHBondContact O-CG 3.31Å; V318-E322 PolarHBondContact O-N 2.88Å |
| 319 | Y | 92.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 85.9 Ų | 85.9 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 177.5 | 175.1 | -108.4 | 0 | 0 | 0 | 112.6 | M287 F305 L310 N315 Y316 Q321 E322 Q323 | M287-Y319 HydrophobicContact CE-CE1 4.48Å; F305-Y319 HydrophobicContact CE1-CE1 4.21Å; F305-Y319 AromaticContact CE1-CZ 3.91Å; F305-Y319 WeakPolarHBondContact CE1-OH 3.09Å; L310-Y319 HydrophobicContact CD1-CD1 3.67Å; L310-Y319 HydrophobicContact CD1-CD2 4.48Å; L310-Y319 HydrophobicContact CD1-CE1 3.96Å; L310-Y319 HydrophobicContact CD1-CG 3.94Å; L310-Y319 HydrophobicContact CD2-CD1 4.34Å; L310-Y319 HydrophobicContact CD2-CG 3.95Å; N315-Y319 WeakPolarHBondContact O-CB 3.4Å; N315-Y319 PolarHBondContact O-N 3.06Å; Y316-Y319 PolarHBondContact O-N 3.3Å; Y319-Q321 VanDerWaalsContact C-N 3.34Å; Y319-Q321 PolarHBondContact O-N 3.33Å; Y319-E322 WeakPolarHBondContact O-CB 3.34Å; Y319-E322 PolarHBondContact O-N 3.23Å; Y319-Q323 HydrophobicContact CD1-CG 4.36Å; Y319-Q323 HydrophobicContact CD2-CG 4.25Å; Y319-Q323 HydrophobicContact CE1-CG 3.85Å; Y319-Q323 HydrophobicContact CE2-CG 3.72Å; Y319-Q323 VanDerWaalsContact CZ-CG 3.49Å; Y319-Q323 WeakPolarHBondContact O-CG 3.48Å; Y319-Q323 PolarHBondContact O-N 3.33Å |
| 320 | K | 92.5 | Very high | 92.2 | Very high | 99 Ų | 99 | 88 Ų | 88 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 177.7 | -175.5 | -174.9 | 174.4 | -161.3 | 0 | 111.2 | Y316 E317 V318 Q323 E324 | Y316-K320 HydrophobicContact CE1-CD 4.39Å; Y316-K320 VanDerWaalsContact O-CB 3.29Å; Y316-K320 WeakPolarHBondContact O-CB 3.46Å; Y316-K320 PolarHBondContact O-N 3.4Å; E317-K320 PolarHBondContact O-N 3.01Å; V318-K320 VanDerWaalsContact C-N 3.29Å; V318-K320 PolarHBondContact O-N 2.86Å; K320-Q323 PolarHBondContact O-N 2.75Å; K320-E324 WeakPolarHBondContact CE-OE1 3.43Å; K320-E324 IonicContact NZ-OE1 2.74Å; K320-E324 WeakPolarHBondContact O-CG 3.5Å; K320-E324 PolarHBondContact O-N 3.23Å |
| 321 | Q | 93.8 | Very high | 92 | Very high | 118 Ų | 118 | 91.2 Ų | 91.2 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 176.1 | -70.8 | 173.1 | 9.2 | 0 | 0 | 111.5 | E317 V318 Y319 Q323 E324 E325 | E317-Q321 WeakPolarHBondContact O-CG 3.36Å; E317-Q321 PolarHBondContact O-N 2.89Å; V318-Q321 WeakPolarHBondContact O-CB 3.44Å; V318-Q321 PolarHBondContact O-N 3.09Å; V318-Q321 VanDerWaalsContact O-N 3.14Å; Y319-Q321 VanDerWaalsContact C-N 3.34Å; Y319-Q321 PolarHBondContact O-N 3.33Å; Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 3.47Å; Q321-E324 PolarHBondContact O-N 2.91Å; Q321-E325 WeakPolarHBondContact O-CG 3.38Å; Q321-E325 PolarHBondContact O-N 3.29Å |
| 322 | E | 94 | Very high | 91.9 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 175.3 | -70.6 | 178.7 | 174.5 | 0 | 0 | 111.8 | R308 V318 Y319 E325 E326 | R308-E322 IonicContact CZ-OE2 3Å; R308-E322 IonicContact NH1-OE2 2.9Å; R308-E322 PolarHBondContact NH1-OE2 2.8Å; V318-E322 WeakPolarHBondContact O-CG 3.31Å; V318-E322 PolarHBondContact O-N 2.88Å; Y319-E322 WeakPolarHBondContact O-CB 3.34Å; Y319-E322 PolarHBondContact O-N 3.23Å; E322-E325 PolarHBondContact O-N 3.17Å; E322-E326 WeakPolarHBondContact O-CG 3.24Å; E322-E326 PolarHBondContact O-N 2.91Å |
| 323 | Q | 91.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 93.7 Ų | 93.7 | 34% | 0.341 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 179.1 | -69.2 | -56.5 | -72.3 | 0 | 0 | 112.6 | Y319 K320 Q321 E326 L327 | Y319-Q323 HydrophobicContact CD1-CG 4.36Å; Y319-Q323 HydrophobicContact CD2-CG 4.25Å; Y319-Q323 HydrophobicContact CE1-CG 3.85Å; Y319-Q323 HydrophobicContact CE2-CG 3.72Å; Y319-Q323 VanDerWaalsContact CZ-CG 3.49Å; Y319-Q323 WeakPolarHBondContact O-CG 3.48Å; Y319-Q323 PolarHBondContact O-N 3.33Å; K320-Q323 PolarHBondContact O-N 2.75Å; Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 3.47Å; Q323-E326 PolarHBondContact NE2-OE2 3.13Å; Q323-L327 VanDerWaalsContact O-CB 3.31Å; Q323-L327 WeakPolarHBondContact O-CB 3.46Å; Q323-L327 PolarHBondContact O-N 2.89Å |
| 324 | E | 92.8 | Very high | 92 | Very high | 87 Ų | 87 | 89.5 Ų | 89.5 | 41% | 0.407 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 174 | -75 | -179 | -168.1 | 0 | 0 | 111.9 | K320 Q321 K328 | K320-E324 WeakPolarHBondContact CE-OE1 3.43Å; K320-E324 IonicContact NZ-OE1 2.74Å; K320-E324 WeakPolarHBondContact O-CG 3.5Å; K320-E324 PolarHBondContact O-N 3.23Å; Q321-E324 PolarHBondContact O-N 2.91Å; E324-K328 WeakPolarHBondContact O-CB 3.41Å; E324-K328 VanDerWaalsContact O-CG 3.22Å; E324-K328 WeakPolarHBondContact O-CG 3.43Å; E324-K328 PolarHBondContact O-N 2.96Å |
| 325 | E | 94.9 | Very high | 92 | Very high | 104 Ų | 104 | 87.1 Ų | 87.1 | 49% | 0.486 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 175.6 | -74.7 | -169.1 | -179.8 | 0 | 0 | 112.9 | Q321 E322 L327 K328 K329 | Q321-E325 WeakPolarHBondContact O-CG 3.38Å; Q321-E325 PolarHBondContact O-N 3.29Å; E322-E325 PolarHBondContact O-N 3.17Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.4Å; E325-K328 WeakPolarHBondContact O-CB 3.49Å; E325-K328 PolarHBondContact O-N 3.32Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 3.16Å |
| 326 | E | 94.6 | Very high | 91.7 | Very high | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.3 | -78.7 | -170.2 | 164.4 | 0 | 0 | 111.4 | E322 Q323 K329 K330 | E322-E326 WeakPolarHBondContact O-CG 3.24Å; E322-E326 PolarHBondContact O-N 2.91Å; Q323-E326 PolarHBondContact NE2-OE2 3.13Å; E326-K329 PolarHBondContact O-N 3.43Å; E326-K330 WeakPolarHBondContact O-CB 3.15Å; E326-K330 WeakPolarHBondContact O-CG 3.38Å; E326-K330 PolarHBondContact O-N 3.13Å |
| 327 | L | 91.3 | Very high | 91.3 | Very high | 105 Ų | 105 | 96.7 Ų | 96.7 | 55% | 0.55 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.8 | -173.4 | 67.4 | 0 | 0 | 0 | 111 | Q323 E325 K329 K330 L331 | Q323-L327 VanDerWaalsContact O-CB 3.31Å; Q323-L327 WeakPolarHBondContact O-CB 3.46Å; Q323-L327 PolarHBondContact O-N 2.89Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.4Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 2.99Å; L327-K330 PolarHBondContact O-N 2.76Å; L327-L331 HydrophobicContact CG-CD1 4.1Å; L327-L331 WeakPolarHBondContact O-CB 3.46Å; L327-L331 WeakPolarHBondContact O-CG 3.27Å; L327-L331 PolarHBondContact O-N 3.04Å |
| 328 | K | 91.3 | Very high | 91.1 | Very high | 133 Ų | 133 | 96.4 Ų | 96.4 | 58% | 0.578 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.4 | -43.1 | 174.1 | -77 | 170.1 | -173.4 | 169.8 | 0 | 111.6 | E324 E325 A332 | E324-K328 WeakPolarHBondContact O-CB 3.41Å; E324-K328 VanDerWaalsContact O-CG 3.22Å; E324-K328 WeakPolarHBondContact O-CG 3.43Å; E324-K328 PolarHBondContact O-N 2.96Å; E325-K328 WeakPolarHBondContact O-CB 3.49Å; E325-K328 PolarHBondContact O-N 3.32Å; K328-A332 WeakPolarHBondContact O-CB 3.41Å; K328-A332 PolarHBondContact O-N 2.96Å |
| 329 | K | 92.6 | Very high | 90.6 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 176.3 | -72.3 | 169.3 | -172.9 | 166.1 | 0 | 111.4 | E325 E326 L327 A332 N333 | E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 3.16Å; E326-K329 PolarHBondContact O-N 3.43Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 2.99Å; K329-A332 PolarHBondContact O-N 3.42Å; K329-N333 WeakPolarHBondContact O-CB 3.4Å; K329-N333 PolarHBondContact O-N 3.15Å; K329-N333 PolarHBondContact O-ND2 3.36Å |
| 330 | K | 91.4 | Very high | 90.2 | Very high | 139 Ų | 139 | 105 Ų | 105 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.9 | -48.8 | 176 | -75.6 | 173.6 | -178.3 | 168.2 | 0 | 111.4 | E326 L327 A332 N333 D334 | E326-K330 WeakPolarHBondContact O-CB 3.15Å; E326-K330 WeakPolarHBondContact O-CG 3.38Å; E326-K330 PolarHBondContact O-N 3.13Å; L327-K330 PolarHBondContact O-N 2.76Å; K330-A332 PolarHBondContact O-N 3.25Å; K330-N333 PolarHBondContact O-N 3.25Å; K330-D334 PolarHBondContact O-N 2.87Å |
| 331 | L | 87.1 | Confident | 89.7 | Confident | 67 Ų | 67 | 105.4 Ų | 105.4 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.2 | -74.5 | 167.3 | 0 | 0 | 0 | 111.2 | L327 N333 D334 W337 | L327-L331 HydrophobicContact CG-CD1 4.1Å; L327-L331 WeakPolarHBondContact O-CB 3.46Å; L327-L331 WeakPolarHBondContact O-CG 3.27Å; L327-L331 PolarHBondContact O-N 3.04Å; L331-N333 PolarHBondContact O-N 3.46Å; L331-D334 PolarHBondContact O-N 3.32Å; L331-W337 HydrophobicContact CB-CG 4.42Å; L331-W337 HydrophobicContact CD2-CD2 4.46Å; L331-W337 HydrophobicContact CD2-CG 4.45Å; L331-W337 WeakPolarHBondContact O-CB 3.39Å |
| 332 | A | 87.1 | Confident | 89.3 | Confident | 38 Ų | 38 | 107.2 Ų | 107.2 | 31% | 0.314 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K328 K329 K330 K338 R341 | K328-A332 WeakPolarHBondContact O-CB 3.41Å; K328-A332 PolarHBondContact O-N 2.96Å; K329-A332 PolarHBondContact O-N 3.42Å; K330-A332 PolarHBondContact O-N 3.25Å; A332-K338 WeakPolarHBondContact O-CE 3.41Å; A332-K338 WeakPolarHBondContact O-CG 3.47Å; A332-R341 PolarHBondContact O-NH2 3.32Å; A332-R341 VanDerWaalsContact O-NH2 3.11Å |
| 333 | N | 90 | Very high | 88.8 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -82.1 | -26.7 | 179 | -73.6 | -24.3 | 0 | 0 | 0 | 114.1 | K329 K330 L331 P335 | K329-N333 WeakPolarHBondContact O-CB 3.4Å; K329-N333 PolarHBondContact O-N 3.15Å; K329-N333 PolarHBondContact O-ND2 3.36Å; K330-N333 PolarHBondContact O-N 3.25Å; L331-N333 PolarHBondContact O-N 3.46Å; N333-P335 WeakPolarHBondContact O-CD 3.42Å |
| 334 | D | 92.4 | Very high | 88.3 | Confident | 65 Ų | 65 | 109.4 Ų | 109.4 | 35% | 0.348 | 49% | 0.489 | S | S | . | . | trans | -58.3 | 117.5 | 179.8 | 179.6 | 4.6 | 0 | 0 | 0 | 111.6 | K330 L331 R336 W337 K338 | K330-D334 PolarHBondContact O-N 2.87Å; L331-D334 PolarHBondContact O-N 3.32Å; D334-R336 PolarHBondContact O-N 3.46Å; D334-R336 WeakPolarHBondContact OD1-CB 3.31Å; D334-R336 PolarHBondContact OD1-N 3.47Å; D334-W337 HydrophobicContact CB-CB 3.98Å; D334-W337 PolarHBondContact O-N 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.32Å; D334-K338 PolarHBondContact O-N 2.98Å | ||
| 335 | P | 91.1 | Very high | 87.7 | Confident | 94 Ų | 94 | 113.2 Ų | 113.2 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.3 | -33.9 | 177.4 | -25 | 34.4 | 0 | 0 | 0 | 113.6 | N333 K338 R339 | N333-P335 WeakPolarHBondContact O-CD 3.42Å; P335-K338 PolarHBondContact O-N 2.96Å; P335-R339 WeakPolarHBondContact O-CB 3.44Å; P335-R339 PolarHBondContact O-N 2.88Å |
| 336 | R | 86.2 | Confident | 86.9 | Confident | 204 Ų | 204 | 112.6 Ų | 112.6 | 77% | 0.77 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.2 | -45.6 | 179 | -170.8 | -179.3 | -179.3 | -174 | 0.4 | 110.5 | D334 R339 Y340 | D334-R336 PolarHBondContact O-N 3.46Å; D334-R336 WeakPolarHBondContact OD1-CB 3.31Å; D334-R336 PolarHBondContact OD1-N 3.47Å; R336-R339 WeakPolarHBondContact O-CB 3.37Å; R336-R339 PolarHBondContact O-N 3.41Å; R336-Y340 WeakPolarHBondContact O-CB 3.35Å; R336-Y340 PolarHBondContact O-N 3.32Å |
| 337 | W | 83.9 | Confident | 86 | Confident | 98 Ų | 98 | 114.8 Ų | 114.8 | 37% | 0.371 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 174.9 | -171.8 | -115.2 | 0 | 0 | 0 | 112.7 | L331 D334 R339 Y340 R341 | L331-W337 HydrophobicContact CB-CG 4.42Å; L331-W337 HydrophobicContact CD2-CD2 4.46Å; L331-W337 HydrophobicContact CD2-CG 4.45Å; L331-W337 WeakPolarHBondContact O-CB 3.39Å; D334-W337 HydrophobicContact CB-CB 3.98Å; D334-W337 PolarHBondContact O-N 3.31Å; W337-R339 VanDerWaalsContact C-N 3.3Å; W337-R339 PolarHBondContact O-N 2.95Å; W337-Y340 AromaticContact CE3-CD1 3.82Å; W337-Y340 HydrophobicContact CE3-CD1 3.82Å; W337-Y340 HydrophobicContact CH2-CD1 4.09Å; W337-Y340 HydrophobicContact CH2-CE1 4.13Å; W337-Y340 AromaticContact CZ3-CD1 3.5Å; W337-Y340 HydrophobicContact CZ3-CD1 3.5Å; W337-Y340 VanDerWaalsContact CZ3-CD1 3.5Å; W337-Y340 AromaticContact CZ3-CE1 3.8Å; W337-Y340 HydrophobicContact CZ3-CE1 3.8Å; W337-Y340 PolarHBondContact O-N 3.26Å; W337-R341 HydrophobicContact CZ2-CG 4.48Å; W337-R341 WeakPolarHBondContact O-CB 3.25Å; W337-R341 WeakPolarHBondContact O-CG 3.43Å; W337-R341 PolarHBondContact O-N 3.28Å |
| 338 | K | 87.4 | Confident | 85.2 | Confident | 83 Ų | 83 | 110.1 Ų | 110.1 | 36% | 0.361 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 172.6 | -72.7 | 179.8 | -175.6 | 178.4 | 0 | 112.3 | A332 D334 P335 R342 | A332-K338 WeakPolarHBondContact O-CE 3.41Å; A332-K338 WeakPolarHBondContact O-CG 3.47Å; D334-K338 WeakPolarHBondContact O-CG 3.32Å; D334-K338 PolarHBondContact O-N 2.98Å; P335-K338 PolarHBondContact O-N 2.96Å; K338-R342 WeakPolarHBondContact O-CG 2.99Å; K338-R342 PolarHBondContact O-N 3.25Å; K338-R342 PolarHBondContact O-NE 3.43Å; K338-R342 VanDerWaalsContact O-NE 3.16Å |
| 339 | R | 84.9 | Confident | 84.1 | Confident | 184 Ų | 184 | 109.8 Ų | 109.8 | 69% | 0.694 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.3 | -47.4 | 176.2 | -169 | -173.6 | -59.9 | -167.2 | -0.3 | 111 | P335 R336 W337 R341 R342 W343 | P335-R339 WeakPolarHBondContact O-CB 3.44Å; P335-R339 PolarHBondContact O-N 2.88Å; R336-R339 WeakPolarHBondContact O-CB 3.37Å; R336-R339 PolarHBondContact O-N 3.41Å; W337-R339 VanDerWaalsContact C-N 3.3Å; W337-R339 PolarHBondContact O-N 2.95Å; R339-R341 PolarHBondContact O-N 2.78Å; R339-R342 PolarHBondContact O-N 3.06Å; R339-W343 PolarHBondContact O-N 2.84Å |
| 340 | Y | 83.7 | Confident | 82.7 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 42% | 0.42 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 177 | 179.6 | -107.7 | 0 | 0 | 0 | 112.3 | R336 W337 R342 W343 M344 | R336-Y340 WeakPolarHBondContact O-CB 3.35Å; R336-Y340 PolarHBondContact O-N 3.32Å; W337-Y340 AromaticContact CE3-CD1 3.82Å; W337-Y340 HydrophobicContact CE3-CD1 3.82Å; W337-Y340 HydrophobicContact CH2-CD1 4.09Å; W337-Y340 HydrophobicContact CH2-CE1 4.13Å; W337-Y340 AromaticContact CZ3-CD1 3.5Å; W337-Y340 HydrophobicContact CZ3-CD1 3.5Å; W337-Y340 VanDerWaalsContact CZ3-CD1 3.5Å; W337-Y340 AromaticContact CZ3-CE1 3.8Å; W337-Y340 HydrophobicContact CZ3-CE1 3.8Å; W337-Y340 PolarHBondContact O-N 3.26Å; Y340-R342 PolarHBondContact O-N 2.98Å; Y340-W343 HydrophobicContact CD2-CE3 4.22Å; Y340-W343 HydrophobicContact CE2-CE3 4.07Å; Y340-W343 HydrophobicContact CE2-CZ3 4.1Å; Y340-W343 PolarHBondContact O-N 3.48Å; Y340-M344 HydrophobicContact CD1-CG 4.25Å; Y340-M344 HydrophobicContact CD2-CG 4.46Å; Y340-M344 HydrophobicContact CE1-CG 3.8Å; Y340-M344 HydrophobicContact CE2-CG 4.03Å; Y340-M344 HydrophobicContact CE2-SD 4.45Å; Y340-M344 WeakPolarHBondContact O-CB 3.21Å; Y340-M344 WeakPolarHBondContact O-CG 3.41Å; Y340-M344 PolarHBondContact O-N 2.98Å |
| 341 | R | 83.1 | Confident | 81.4 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 174.3 | -80.7 | -172.8 | -71.7 | 154 | -4 | 113.3 | A332 W337 R339 K345 | A332-R341 PolarHBondContact O-NH2 3.32Å; A332-R341 VanDerWaalsContact O-NH2 3.11Å; W337-R341 HydrophobicContact CZ2-CG 4.48Å; W337-R341 WeakPolarHBondContact O-CB 3.25Å; W337-R341 WeakPolarHBondContact O-CG 3.43Å; W337-R341 PolarHBondContact O-N 3.28Å; R339-R341 PolarHBondContact O-N 2.78Å; R341-K345 PolarHBondContact O-N 2.88Å; R341-K345 VanDerWaalsContact O-N 3.12Å |
| 342 | R | 83.7 | Confident | 80.2 | Confident | 156 Ų | 156 | 113.4 Ų | 113.4 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 175.2 | -81.9 | -179.5 | -87.4 | 160.9 | -13.3 | 111.6 | K338 R339 Y340 K345 N346 | K338-R342 WeakPolarHBondContact O-CG 2.99Å; K338-R342 PolarHBondContact O-N 3.25Å; K338-R342 PolarHBondContact O-NE 3.43Å; K338-R342 VanDerWaalsContact O-NE 3.16Å; R339-R342 PolarHBondContact O-N 3.06Å; Y340-R342 PolarHBondContact O-N 2.98Å; R342-K345 PolarHBondContact O-N 2.72Å; R342-N346 WeakPolarHBondContact O-CB 3.07Å; R342-N346 VanDerWaalsContact O-CG 3.32Å; R342-N346 PolarHBondContact O-N 2.81Å |
| 343 | W | 83.8 | Confident | 78.9 | Confident | 107 Ų | 107 | 116.2 Ų | 116.2 | 41% | 0.405 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -48.1 | 174.9 | 178 | 80.4 | 0 | 0 | 0 | 111.8 | R339 Y340 K345 N346 E347 G348 | R339-W343 PolarHBondContact O-N 2.84Å; Y340-W343 HydrophobicContact CD2-CE3 4.22Å; Y340-W343 HydrophobicContact CE2-CE3 4.07Å; Y340-W343 HydrophobicContact CE2-CZ3 4.1Å; Y340-W343 PolarHBondContact O-N 3.48Å; W343-K345 PolarHBondContact O-N 3.17Å; W343-N346 PolarHBondContact O-N 3.42Å; W343-E347 HydrophobicContact CG-CB 4.47Å; W343-E347 PolarHBondContact NE1-OE2 3.21Å; W343-E347 VanDerWaalsContact NE1-OE2 3.13Å; W343-E347 CarbonylContact O-C 3.59Å; W343-E347 WeakPolarHBondContact O-CA 3.44Å; W343-E347 PolarHBondContact O-N 2.98Å; W343-G348 PolarHBondContact O-N 3.15Å |
| 344 | M | 81.6 | Confident | 77.4 | Confident | 92 Ų | 92 | 119.8 Ų | 119.8 | 45% | 0.453 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56 | -35.7 | 175.5 | -80.7 | -72.5 | -77.3 | 0 | 0 | 112.9 | Y340 | Y340-M344 HydrophobicContact CD1-CG 4.25Å; Y340-M344 HydrophobicContact CD2-CG 4.46Å; Y340-M344 HydrophobicContact CE1-CG 3.8Å; Y340-M344 HydrophobicContact CE2-CG 4.03Å; Y340-M344 HydrophobicContact CE2-SD 4.45Å; Y340-M344 WeakPolarHBondContact O-CB 3.21Å; Y340-M344 WeakPolarHBondContact O-CG 3.41Å; Y340-M344 PolarHBondContact O-N 2.98Å |
| 345 | K | 80.3 | Confident | 75.6 | Confident | 167 Ų | 167 | 122.1 Ų | 122.1 | 73% | 0.726 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.7 | -34.4 | 177.4 | -170.6 | -179.8 | 178.9 | -176.2 | 0 | 113 | R341 R342 W343 | R341-K345 PolarHBondContact O-N 2.88Å; R341-K345 VanDerWaalsContact O-N 3.12Å; R342-K345 PolarHBondContact O-N 2.72Å; W343-K345 PolarHBondContact O-N 3.17Å |
| 346 | N | 77.9 | Confident | 73.9 | Confident | 92 Ų | 92 | 124.9 Ų | 124.9 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -98.3 | -36.4 | -171.1 | -66.7 | -1 | 0 | 0 | 0 | 113.6 | R342 W343 R351 | R342-N346 WeakPolarHBondContact O-CB 3.07Å; R342-N346 VanDerWaalsContact O-CG 3.32Å; R342-N346 PolarHBondContact O-N 2.81Å; W343-N346 PolarHBondContact O-N 3.42Å; N346-R351 WeakPolarHBondContact O-CD 3.47Å |
| 347 | E | 74.8 | Confident | 72.2 | Confident | 133 Ų | 133 | 126.1 Ų | 126.1 | 62% | 0.621 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -139.5 | 9.9 | -166 | -66.9 | 176.5 | -170 | 0 | 0 | 113.2 | W343 | W343-E347 HydrophobicContact CG-CB 4.47Å; W343-E347 PolarHBondContact NE1-OE2 3.21Å; W343-E347 VanDerWaalsContact NE1-OE2 3.13Å; W343-E347 CarbonylContact O-C 3.59Å; W343-E347 WeakPolarHBondContact O-CA 3.44Å; W343-E347 PolarHBondContact O-N 2.98Å |
| 348 | G | 75.2 | Confident | 71.6 | Confident | 7 Ų | 7 | 127.5 Ų | 127.5 | 7% | 0.072 | 63% | 0.627 | C | S | . | * | trans | -66.6 | 157.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | W343 G350 R351 | W343-G348 PolarHBondContact O-N 3.15Å; G348-G350 PolarHBondContact O-N 3.2Å; G348-R351 PolarHBondContact O-N 3.01Å; G348-R351 VanDerWaalsContact O-N 3.1Å | ||
| 349 | P | 68.4 | Low | 70.8 | Confident | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 12.8 | -171 | 26.3 | -35.2 | 0 | 0 | 0 | 116.4 | ||
| 350 | G | 63 | Low | 70 | Confident | 84 Ų | 84 | 126.8 Ų | 126.8 | 87% | 0.866 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G348 | G348-G350 PolarHBondContact O-N 3.2Š|
| 351 | R | 64.7 | Low | 69.2 | Low | 159 Ų | 159 | 128 Ų | 128 | 60% | 0.6 | 65% | 0.651 | S | S | * | * | trans | -98.6 | 116.4 | 179 | -140.8 | 178.5 | -164 | -111.2 | -3.4 | 109.6 | N346 G348 T353 | N346-R351 WeakPolarHBondContact O-CD 3.47Å; G348-R351 PolarHBondContact O-N 3.01Å; G348-R351 VanDerWaalsContact O-N 3.1Å; R351-T353 PolarHBondContact O-N 3.49Å; R351-T353 VanDerWaalsContact O-N 3.15Å | ||
| 352 | L | 60.2 | Low | 68.3 | Low | 164 Ų | 164 | 129.2 Ų | 129.2 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | trans | -71.2 | 99.6 | 163.8 | -76.1 | 156.3 | 0 | 0 | 0 | 107.2 | ||||
| 353 | T | 60.8 | Low | 67.3 | Low | 96 Ų | 96 | 127.4 Ų | 127.4 | 59% | 0.589 | 67% | 0.671 | S | S | * | * | trans | -79.2 | 117.9 | 168.2 | 48.9 | 0 | 0 | 0 | 0 | 107.6 | R351 V355 | R351-T353 PolarHBondContact O-N 3.49Å; R351-T353 VanDerWaalsContact O-N 3.15Å; T353-V355 PolarHBondContact O-N 3.3Å; T353-V355 VanDerWaalsContact O-N 3.15Å | ||
| 354 | F | 58 | Low | 66.1 | Low | 188 Ų | 188 | 128.9 Ų | 128.9 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | trans | -64.2 | 114.5 | 164.3 | -64.2 | -79.5 | 0 | 0 | 0 | 106.5 | D356 | F354-D356 PolarHBondContact O-N 3.27Š| ||
| 355 | V | 55.6 | Low | 64.9 | Low | 115 Ų | 115 | 131.7 Ų | 131.7 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | trans | -76.1 | 108.2 | 166.8 | -176.5 | 0 | 0 | 0 | 0 | 103.7 | T353 D357 | T353-V355 PolarHBondContact O-N 3.3Å; T353-V355 VanDerWaalsContact O-N 3.15Å; V355-D357 PolarHBondContact O-N 2.78Å | ||
| 356 | D | 55.6 | Low | 63.7 | Low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | -70.1 | 110.6 | 169 | -68.3 | -36.4 | 0 | 0 | 0 | 106.3 | F354 | F354-D356 PolarHBondContact O-N 3.27Š| ||
| 357 | D | 49.8 | Very low | 62.4 | Low | 229 Ų | 229 | 132.1 Ų | 132.1 | 100% | 1.225 | 73% | 0.726 | S | S | * | * | trans | -60.3 | 0 | 177.6 | -82.6 | -29.7 | 0 | 0 | 0 | 113 | V355 | V355-D357 PolarHBondContact O-N 2.78Š|
Retrieved 357 of 357 residues in 61.5 ms
(Link to these results)