| 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 | 36.3 | Very low | 32.5 | Very low | 246 Ų | 246 | 150.1 Ų | 150.1 | 100% | 1.212 | 84% | 0.843 | S | S | * | * | 0 | 111.7 | 0 | -95.9 | 177.3 | 172.1 | 0 | 0 | 106.8 | |||||
| 2 | D | 30.5 | Very low | 32.6 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 139.8 | -165.6 | -62.2 | -76 | 0 | 0 | 0 | 114.7 | ||
| 3 | M | 27.8 | Very low | 32.6 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 96% | 0.956 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 117.4 | 162.8 | -122.8 | -167.1 | -167.6 | 0 | 0 | 107.6 | D5 | M3-D5 PolarHBondContact O-N 2.97Š|
| 4 | A | 33.8 | Very low | 33.5 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 117.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y6 | A4-Y6 PolarHBondContact O-N 3.44Š|
| 5 | D | 30.7 | Very low | 34 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 116.6 | 173.2 | -152.5 | -20.2 | 0 | 0 | 0 | 110 | M3 S7 | M3-D5 PolarHBondContact O-N 2.97Å; D5-S7 WeakPolarHBondContact OD1-CB 3.24Å; D5-S7 PolarHBondContact OD1-OG 2.97Å |
| 6 | Y | 31.3 | Very low | 34.7 | Very low | 230 Ų | 230 | 133 Ų | 133 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -108.9 | 60.4 | 177 | -119.1 | -86.7 | 0 | 0 | 0 | 109.4 | A4 | A4-Y6 PolarHBondContact O-N 3.44Š| ||
| 7 | S | 33.9 | Very low | 35 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | -119.1 | 34.1 | -178.5 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | D5 | D5-S7 WeakPolarHBondContact OD1-CB 3.24Å; D5-S7 PolarHBondContact OD1-OG 2.97Å | ||
| 8 | A | 34.6 | Very low | 35.7 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -128.1 | 127.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 9 | A | 34.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | trans | 84.5 | 60.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 10 | L | 33.7 | Very low | 36.9 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 89% | 0.89 | 71% | 0.707 | S | S | * | * | trans | -98 | 108.6 | 143.6 | -70.7 | 174.6 | 0 | 0 | 0 | 108 | ||||
| 11 | D | 30.6 | Very low | 37 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | trans | -63.3 | 123.9 | 166.8 | -171.5 | -17.7 | 0 | 0 | 0 | 108.7 | A13 | D11-A13 PolarHBondContact O-N 3.34Å; D11-A13 VanDerWaalsContact O-N 3.1Å; D11-A13 PolarHBondContact OD1-N 2.96Å | ||
| 12 | P | 32.8 | Very low | 37.3 | Very low | 127 Ų | 127 | 120 Ų | 120 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -0.6 | -176.3 | -15.9 | 29.8 | 0 | 0 | 0 | 115.2 | Y14 | P12-Y14 PolarHBondContact O-N 3.19Š|
| 13 | A | 33.8 | Very low | 37.6 | Very low | 78 Ų | 78 | 120.6 Ų | 120.6 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 3.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | D11 | D11-A13 PolarHBondContact O-N 3.34Å; D11-A13 VanDerWaalsContact O-N 3.1Å; D11-A13 PolarHBondContact OD1-N 2.96Å |
| 14 | Y | 44.3 | Very low | 38.2 | Very low | 92 Ų | 92 | 117.4 Ų | 117.4 | 36% | 0.361 | 67% | 0.667 | S | S | . | * | trans | -112.5 | 66.7 | -167.9 | -153.9 | -92.3 | 0 | 0 | 0 | 114.5 | P12 E18 R91 | P12-Y14 PolarHBondContact O-N 3.19Å; Y14-E18 HydrophobicContact CE2-CG 4.18Å; Y14-E18 WeakPolarHBondContact CE2-OE1 3.36Å; Y14-E18 WeakPolarHBondContact CE2-OE2 3.25Å; Y14-E18 PolarHBondContact OH-OE2 2.71Å; Y14-R91 PolarHBondContact OH-NH1 2.94Å | ||
| 15 | T | 41.9 | Very low | 37.9 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -88 | 162.4 | 159.3 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | L17 | T15-L17 PolarHBondContact O-N 2.77Š|
| 16 | T | 44.1 | Very low | 37.9 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 55% | 0.546 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -48.9 | 2.8 | -175.5 | 39.8 | 0 | 0 | 0 | 0 | 118.5 | E18 | T16-E18 PolarHBondContact O-N 3.15Š|
| 17 | L | 40.3 | Very low | 38 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -68 | -23.6 | -177.7 | -71.1 | 164 | 0 | 0 | 0 | 114.3 | T15 F19 E20 | T15-L17 PolarHBondContact O-N 2.77Å; L17-F19 PolarHBondContact O-N 2.95Å; L17-E20 PolarHBondContact O-N 3.23Å |
| 18 | E | 47.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 117 Ų | 117 | 48% | 0.481 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -65.4 | -20.1 | 179.1 | -89.2 | -163.1 | -174.9 | 0 | 0 | 114 | Y14 T16 | Y14-E18 HydrophobicContact CE2-CG 4.18Å; Y14-E18 WeakPolarHBondContact CE2-OE1 3.36Å; Y14-E18 WeakPolarHBondContact CE2-OE2 3.25Å; Y14-E18 PolarHBondContact OH-OE2 2.71Å; T16-E18 PolarHBondContact O-N 3.15Å |
| 19 | F | 51 | Low | 37.3 | Very low | 71 Ų | 71 | 119.4 Ų | 119.4 | 31% | 0.311 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.4 | -12.6 | 179.9 | -65.7 | -74.9 | 0 | 0 | 0 | 113.9 | L17 Y105 K109 F112 | L17-F19 PolarHBondContact O-N 2.95Å; F19-Y105 HydrophobicContact CZ-CE2 4.16Å; F19-K109 HydrophobicContact CE1-CB 4.13Å; F19-K109 HydrophobicContact CE1-CG 4.07Å; F19-F112 HydrophobicContact CD1-CD2 4.03Å; F19-F112 HydrophobicContact CE1-CD2 4.49Å |
| 20 | E | 44.8 | Very low | 37 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -23.8 | 175.8 | -74.4 | 179.1 | 159.7 | 0 | 0 | 112.2 | L17 | L17-E20 PolarHBondContact O-N 3.23Š|
| 21 | N | 39 | Very low | 36.8 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | trans | -104.5 | 11.9 | -172.1 | -72.6 | -30.1 | 0 | 0 | 0 | 116.1 | Q23 | N21-Q23 PolarHBondContact O-N 3.19Š| ||
| 22 | V | 42.9 | Very low | 36.7 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | trans | -82.7 | 71.5 | 173 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | Q | 36.4 | Very low | 36.9 | Very low | 177 Ų | 177 | 118.7 Ų | 118.7 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | trans | -82 | 144.2 | 159.4 | -80.4 | -176.2 | -6.8 | 0 | 0 | 110 | N21 L25 | N21-Q23 PolarHBondContact O-N 3.19Å; Q23-L25 PolarHBondContact O-N 3.31Å | ||
| 24 | V | 39.4 | Very low | 37.2 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -58.8 | 118 | -171.6 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | T26 | V24-T26 HydrophobicContact CG1-CG2 4.36Š| ||
| 25 | L | 27.6 | Very low | 36.6 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | -87.1 | 106.7 | 159.6 | -71.1 | 175.2 | 0 | 0 | 0 | 108.7 | Q23 | Q23-L25 PolarHBondContact O-N 3.31Š| ||
| 26 | T | 32 | Very low | 36.2 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -67.8 | 127.6 | 162.2 | 41.2 | 0 | 0 | 0 | 0 | 109.8 | V24 | V24-T26 HydrophobicContact CG1-CG2 4.36Š| ||
| 27 | M | 32.2 | Very low | 35.9 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 89% | 0.892 | 73% | 0.73 | S | S | * | * | trans | -108.1 | 117 | 161.9 | -68.6 | -72 | -80.1 | 0 | 0 | 107.6 | ||||
| 28 | G | 27.1 | Very low | 35.5 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -75.2 | -177 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 29 | N | 27.8 | Very low | 35.2 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | cis | -165.7 | 132.9 | -1.8 | -171.6 | 49.7 | 0 | 0 | 0 | 103.7 | ||||
| 30 | D | 26.6 | Very low | 34.5 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -138.9 | 136.4 | 161 | -93.9 | -32.8 | 0 | 0 | 0 | 109 | ||||
| 31 | T | 29.8 | Very low | 33.9 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -86.6 | 130.7 | -155.6 | 27.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 32 | S | 29.3 | Very low | 34 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 67.4 | 159.2 | 134.2 | -45.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 33 | P | 37.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | cis | -129.2 | 174.6 | 2.1 | 38 | -19.1 | 0 | 0 | 0 | 115.8 | ||||
| 34 | S | 39.4 | Very low | 34 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -91.4 | 131 | -178.6 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 35 | E | 32.9 | Very low | 34.4 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -150.9 | 131.4 | 146.9 | -71.1 | -164.3 | 137.9 | 0 | 0 | 106.4 | ||||
| 36 | G | 31.9 | Very low | 35.3 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 105.6 | 123.5 | 83 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 37 | A | 38.6 | Very low | 36.3 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -58.4 | 142.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 38 | N | 31 | Very low | 37.5 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | 169.3 | 159.4 | 118.7 | -94.6 | -33.9 | 0 | 0 | 0 | 114.5 | |||||
| 39 | L | 42.3 | Very low | 40.1 | Very low | 149 Ų | 149 | 125 Ų | 125 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -58.5 | 156.7 | -173.1 | -83.7 | 83.5 | 0 | 0 | 0 | 116.7 | ||||
| 40 | N | 36.8 | Very low | 43.3 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 78.8 | 102.5 | 155.9 | -75.8 | -5.6 | 0 | 0 | 0 | 119.4 | ||||
| 41 | S | 32.1 | Very low | 46.7 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | -177.9 | 127.3 | 109.6 | -82.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 42 | S | 40.5 | Very low | 49.9 | Very low | 111 Ų | 111 | 112.9 Ų | 112.9 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | 20.1 | 133.2 | 148.6 | 54.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 43 | N | 40.2 | Very low | 53.2 | Low | 155 Ų | 155 | 107.7 Ų | 107.7 | 83% | 0.829 | 68% | 0.684 | S | S | * | * | trans | 86.9 | 78.3 | 157.9 | -86.6 | 6.4 | 0 | 0 | 0 | 120.2 | ||||
| 44 | S | 40.3 | Very low | 56 | Low | 122 Ų | 122 | 101.9 Ų | 101.9 | 85% | 0.853 | 65% | 0.646 | S | S | * | * | trans | -122.2 | 30.4 | 156.5 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | G46 | S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.46Å | ||
| 45 | L | 46.3 | Very low | 58.7 | Low | 174 Ų | 174 | 98.8 Ų | 98.8 | 91% | 0.911 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 75.1 | 167.4 | -85.5 | 94.9 | 0 | 0 | 0 | 110.7 | ||
| 46 | G | 48.1 | Very low | 61.8 | Low | 52 Ų | 52 | 90.7 Ų | 90.7 | 54% | 0.536 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.4 | -31.4 | -179 | 0 | 0 | 0 | 0 | 0 | 116.5 | S44 | S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.46Å |
| 47 | V | 52.3 | Low | 64.9 | Low | 139 Ų | 139 | 96.5 Ų | 96.5 | 84% | 0.842 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -106.2 | -15.6 | -164.8 | -168.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 48 | S | 56.9 | Low | 67.6 | Low | 110 Ų | 110 | 92.9 Ų | 92.9 | 77% | 0.769 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -96.3 | 3.7 | -179.8 | -72.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 49 | A | 82 | Confident | 70.7 | Confident | 59 Ų | 59 | 88.9 Ų | 88.9 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -91.7 | -10.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A58 | A49-A58 PolarHBondContact O-N 3.24Š|
| 50 | L | 95.4 | Very high | 73.1 | Confident | 102 Ų | 102 | 83.2 Ų | 83.2 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | B | Isolated β-bridge | trans | -116 | 145.7 | -173.5 | -59.5 | 177.6 | 0 | 0 | 0 | 112.5 | A52 S66 | L50-A52 PolarHBondContact O-N 3.42Å; L50-S66 PolarHBondContact O-OG 3.22Å |
| 51 | C | 97.6 | Very high | 75.9 | Confident | 4 Ų | 4 | 84.8 Ų | 84.8 | 3% | 0.027 | 52% | 0.521 | C | S | . | . | trans | -73.1 | 119.8 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | I53 C54 G55 D56 C68 | C51-I53 PolarHBondContact O-N 3.05Å; C51-C54 PolarHBondContact O-N 3.18Å; C51-C54 VanDerWaalsContact SG-SG 3.68Å; C51-G55 WeakPolarHBondContact O-CA 3.46Å; C51-G55 PolarHBondContact O-N 3.48Å; C51-D56 WeakPolarHBondContact CB-O 3.34Å; C51-D56 PolarHBondContact N-O 2.98Å; C51-C68 HydrophobicContact CB-CB 4.13Å; C51-C68 PolarHBondContact SG-N 2.77Å; C51-C68 VanDerWaalsContact SG-N 3.45Å; C51-C68 VanDerWaalsContact SG-SG 3.67Å | ||
| 52 | A | 97.1 | Very high | 79 | Confident | 57 Ų | 57 | 80.6 Ų | 80.6 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L50 S66 A114 | L50-A52 PolarHBondContact O-N 3.42Å; A52-S66 PolarHBondContact N-O 2.97Å; A52-A114 HydrophobicContact CB-CB 4.06Å |
| 53 | I | 98.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -46.7 | -179.1 | -58.8 | 90.2 | 0 | 0 | 0 | 111.9 | C51 C71 V95 R107 K110 A114 M116 | C51-I53 PolarHBondContact O-N 3.05Å; I53-C71 HydrophobicContact CB-CB 4.31Å; I53-C71 HydrophobicContact CD1-CB 4.27Å; I53-C71 HydrophobicContact CG1-CB 4.48Å; I53-V95 HydrophobicContact CG2-CG1 4.07Å; I53-V95 WeakPolarHBondContact O-CG1 3.36Å; I53-R107 HydrophobicContact CG2-CG 4.36Å; I53-K110 HydrophobicContact CG2-CB 4.32Å; I53-K110 HydrophobicContact CG2-CD 4.4Å; I53-K110 HydrophobicContact CG2-CG 4.27Å; I53-K110 WeakPolarHBondContact O-CD 3.27Å; I53-K110 WeakPolarHBondContact O-CE 3.35Å; I53-K110 PolarHBondContact O-NZ 3.32Å; I53-A114 HydrophobicContact CD1-CB 4.2Å; I53-A114 HydrophobicContact CG1-CB 4.02Å; I53-M116 HydrophobicContact CD1-CE 3.71Å; I53-M116 HydrophobicContact CD1-SD 4.26Å |
| 54 | C | 97.1 | Very high | 84.3 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.034 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 2.2 | -170 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | C51 D56 C68 V95 D96 K97 R100 | C51-C54 PolarHBondContact O-N 3.18Å; C51-C54 VanDerWaalsContact SG-SG 3.68Å; C54-D56 PolarHBondContact O-N 3.41Å; C54-D56 VanDerWaalsContact O-N 3.15Å; C54-D56 WeakPolarHBondContact SG-CB 3.36Å; C54-C68 VanDerWaalsContact SG-SG 3.69Å; C54-V95 HydrophobicContact CB-CG1 4.17Å; C54-D96 CarbonylContact O-C 3.57Å; C54-D96 WeakPolarHBondContact O-CA 3.25Å; C54-K97 PolarHBondContact O-N 3.08Å; C54-R100 HydrophobicContact CB-CB 4.11Å; C54-R100 PolarHBondContact SG-NH1 3.21Å; C54-R100 VanDerWaalsContact SG-NH1 3.37Å |
| 55 | G | 95.8 | Very high | 87 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 71 | 2.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C51 | C51-G55 WeakPolarHBondContact O-CA 3.46Å; C51-G55 PolarHBondContact O-N 3.48Å |
| 56 | D | 96.8 | Very high | 89.4 | Confident | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.171 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -70.2 | 165.5 | 172.8 | -166.1 | 13.5 | 0 | 0 | 0 | 111 | C51 C54 A58 C68 K97 R100 | C51-D56 WeakPolarHBondContact CB-O 3.34Å; C51-D56 PolarHBondContact N-O 2.98Å; C54-D56 PolarHBondContact O-N 3.41Å; C54-D56 VanDerWaalsContact O-N 3.15Å; C54-D56 WeakPolarHBondContact SG-CB 3.36Å; D56-A58 PolarHBondContact O-N 3.48Å; D56-C68 HydrophobicContact CB-CB 4.28Å; D56-K97 HydrophobicContact CB-CB 4.39Å; D56-K97 HydrophobicContact CB-CG 4.12Å; D56-R100 IonicContact OD2-CZ 3.52Å; D56-R100 IonicContact OD2-NH1 2.78Å; D56-R100 PolarHBondContact OD2-NH1 3.4Å; D56-R100 IonicContact OD2-NH2 3.46Å; D56-R100 PolarHBondContact OD2-NH2 2.95Å |
| 57 | R | 96.8 | Very high | 91.8 | Very high | 200 Ų | 200 | 57.5 Ų | 57.5 | 76% | 0.755 | 35% | 0.349 | S | S | * | . | B | Isolated β-bridge | trans | -59.6 | 123.4 | 179 | -179.9 | 173.9 | 147.9 | -157.3 | -5.7 | 110.9 | C68 | R57-C68 VanDerWaalsContact O-CB 3.25Å; R57-C68 WeakPolarHBondContact O-CB 3.46Å |
| 58 | A | 96.8 | Very high | 94 | Very high | 16 Ų | 16 | 51 Ų | 51 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 141.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | A49 D56 S66 | A49-A58 PolarHBondContact O-N 3.24Å; D56-A58 PolarHBondContact O-N 3.48Å; A58-S66 WeakPolarHBondContact CB-OG 3.44Å |
| 59 | T | 95.2 | Very high | 95.9 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | trans | -99.6 | -5.8 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | H62 S67 D69 | T59-H62 PolarHBondContact OG1-NE2 3.35Å; T59-S67 PolarHBondContact N-O 3.17Å; T59-S67 PolarHBondContact OG1-O 2.82Å; T59-D69 WeakPolarHBondContact CG2-OD2 3.38Å; T59-D69 PolarHBondContact OG1-OD1 2.92Å | ||
| 60 | G | 93.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.2 | -165.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S66 S67 | G60-S66 WeakPolarHBondContact O-CA 3.48Å; G60-S67 PolarHBondContact O-N 3.31Å |
| 61 | K | 95.9 | Very high | 96.8 | Very high | 178 Ų | 178 | 43.9 Ų | 43.9 | 77% | 0.774 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.5 | 171 | -69.9 | -175.3 | 179 | 179.7 | 0 | 109.6 | A65 | K61-A65 WeakPolarHBondContact CA-O 3.46Å |
| 62 | H | 96.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.5 | 174.2 | -52.1 | -70.5 | 0 | 0 | 0 | 109.6 | T59 G64 A65 S67 K72 | T59-H62 PolarHBondContact OG1-NE2 3.35Å; H62-G64 PolarHBondContact O-N 3.49Å; H62-G64 VanDerWaalsContact O-N 3.14Å; H62-A65 PolarHBondContact N-O 3.37Å; H62-A65 PolarHBondContact O-N 2.9Å; H62-S67 WeakPolarHBondContact CB-OG 3.39Å; H62-S67 PolarHBondContact CD2-O 2.72Å; H62-S67 PolarHBondContact CD2-OG 2.8Å; H62-S67 VanDerWaalsContact CD2-OG 3.29Å; H62-K72 HydrophobicContact CB-CB 4.02Å; H62-K72 HydrophobicContact CB-CD 4.24Å; H62-K72 HydrophobicContact CB-CG 3.87Å; H62-K72 PolarHBondContact CE1-NZ 3.42Å; H62-K72 WeakPolarHBondContact ND1-CD 3.3Å; H62-K72 WeakPolarHBondContact ND1-CE 3.46Å; H62-K72 PolarHBondContact ND1-NZ 2.94Å |
| 63 | Y | 97.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 44.5 Ų | 44.5 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 26.3 | -178.4 | -43.7 | -66.8 | 0 | 0 | 0 | 114.6 | K72 F75 R76 M116 K117 A120 V121 | Y63-K72 HydrophobicContact CE2-CB 4.45Å; Y63-K72 HydrophobicContact CE2-CG 3.8Å; Y63-K72 WeakPolarHBondContact CE2-O 3.2Å; Y63-F75 AromaticContact CD2-CD1 3.6Å; Y63-F75 HydrophobicContact CD2-CD1 3.6Å; Y63-F75 HydrophobicContact CD2-CE1 4.32Å; Y63-F75 HydrophobicContact CD2-CG 4.45Å; Y63-F75 HydrophobicContact CE2-CD1 4.21Å; Y63-F75 AromaticContact CG-CD1 3.89Å; Y63-F75 HydrophobicContact CG-CD1 3.89Å; Y63-F75 HydrophobicContact CG-CE1 4.16Å; Y63-R76 HydrophobicContact CE2-CB 4.34Å; Y63-R76 WeakPolarHBondContact OH-CB 3.47Å; Y63-R76 VanDerWaalsContact OH-CD 3.31Å; Y63-R76 WeakPolarHBondContact OH-CD 3.25Å; Y63-M116 CarbonylContact O-C 3.43Å; Y63-M116 VanDerWaalsContact O-CA 3.31Å; Y63-M116 WeakPolarHBondContact O-CA 3.46Å; Y63-K117 WeakPolarHBondContact O-CB 3.45Å; Y63-K117 PolarHBondContact O-N 3.12Å; Y63-A120 HydrophobicContact CD1-CB 4.07Å; Y63-A120 WeakPolarHBondContact CD1-O 3.45Å; Y63-V121 HydrophobicContact CD1-CG2 3.74Å; Y63-V121 HydrophobicContact CE1-CB 4.41Å; Y63-V121 HydrophobicContact CE1-CG2 3.81Å; Y63-V121 HydrophobicContact CG-CG2 4.25Å |
| 64 | G | 94.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 45 Ų | 45 | 56% | 0.557 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.4 | -13.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | H62 | H62-G64 PolarHBondContact O-N 3.49Å; H62-G64 VanDerWaalsContact O-N 3.14Å |
| 65 | A | 96.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K61 H62 S67 A114 M116 | K61-A65 WeakPolarHBondContact CA-O 3.46Å; H62-A65 PolarHBondContact N-O 3.37Å; H62-A65 PolarHBondContact O-N 2.9Å; A65-S67 PolarHBondContact O-N 3.15Å; A65-S67 PolarHBondContact O-OG 3.48Å; A65-A114 HydrophobicContact CB-CB 4.35Å; A65-A114 WeakPolarHBondContact CB-O 3.4Å; A65-M116 HydrophobicContact CB-CG 3.72Å |
| 66 | S | 97.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 47 Ų | 47 | 22% | 0.217 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 117 | 169.8 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | L50 A52 A58 G60 | L50-S66 PolarHBondContact O-OG 3.22Å; A52-S66 PolarHBondContact N-O 2.97Å; A58-S66 WeakPolarHBondContact CB-OG 3.44Å; G60-S66 WeakPolarHBondContact O-CA 3.48Å |
| 67 | S | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 160.4 | -172.6 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | T59 G60 H62 A65 M116 | T59-S67 PolarHBondContact N-O 3.17Å; T59-S67 PolarHBondContact OG1-O 2.82Å; G60-S67 PolarHBondContact O-N 3.31Å; H62-S67 WeakPolarHBondContact CB-OG 3.39Å; H62-S67 PolarHBondContact CD2-O 2.72Å; H62-S67 PolarHBondContact CD2-OG 2.8Å; H62-S67 VanDerWaalsContact CD2-OG 3.29Å; A65-S67 PolarHBondContact O-N 3.15Å; A65-S67 PolarHBondContact O-OG 3.48Å; S67-M116 WeakPolarHBondContact OG-CE 3.39Å |
| 68 | C | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | trans | -84.1 | 164.3 | 170.8 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | C51 C54 D56 R57 G70 C71 K72 R100 | C51-C68 HydrophobicContact CB-CB 4.13Å; C51-C68 PolarHBondContact SG-N 2.77Å; C51-C68 VanDerWaalsContact SG-N 3.45Å; C51-C68 VanDerWaalsContact SG-SG 3.67Å; C54-C68 VanDerWaalsContact SG-SG 3.69Å; D56-C68 HydrophobicContact CB-CB 4.28Å; R57-C68 VanDerWaalsContact O-CB 3.25Å; R57-C68 WeakPolarHBondContact O-CB 3.46Å; C68-G70 PolarHBondContact O-N 3.15Å; C68-C71 PolarHBondContact O-N 3.23Å; C68-C71 VanDerWaalsContact O-N 3.12Å; C68-C71 VanDerWaalsContact SG-SG 3.7Å; C68-K72 WeakPolarHBondContact O-CB 3.48Å; C68-K72 PolarHBondContact O-N 2.95Å; C68-R100 PolarHBondContact SG-NH1 3.2Å | ||
| 69 | D | 97.7 | Very high | 96.7 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.8 | -32.9 | 178.3 | -67.1 | -28.1 | 0 | 0 | 0 | 113.2 | T59 G73 | T59-D69 WeakPolarHBondContact CG2-OD2 3.38Å; T59-D69 PolarHBondContact OG1-OD1 2.92Å; D69-G73 PolarHBondContact O-N 3.46Å |
| 70 | G | 97.7 | Very high | 96.5 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C68 F74 R107 | C68-G70 PolarHBondContact O-N 3.15Å; G70-F74 VanDerWaalsContact O-CB 3.25Å; G70-F74 WeakPolarHBondContact O-CB 3.38Å; G70-F74 PolarHBondContact O-N 3.35Å; G70-R107 VanDerWaalsContact C-NH2 3.32Å; G70-R107 PolarHBondContact O-NH2 3.42Å |
| 71 | C | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -76.8 | -35.7 | 179 | -66.6 | 0 | 0 | 0 | 0 | 112 | I53 C68 F74 F75 R107 | I53-C71 HydrophobicContact CB-CB 4.31Å; I53-C71 HydrophobicContact CD1-CB 4.27Å; I53-C71 HydrophobicContact CG1-CB 4.48Å; C68-C71 PolarHBondContact O-N 3.23Å; C68-C71 VanDerWaalsContact O-N 3.12Å; C68-C71 VanDerWaalsContact SG-SG 3.7Å; C71-F74 PolarHBondContact O-N 3.15Å; C71-F75 WeakPolarHBondContact O-CB 3.34Å; C71-F75 PolarHBondContact O-N 3.31Å; C71-R107 PolarHBondContact SG-NH2 3.01Å |
| 72 | K | 97.8 | Very high | 96.1 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.1 | -54.2 | 168.8 | 173.7 | -169.6 | -171.8 | 162.5 | 0 | 111.5 | H62 Y63 C68 F75 R76 | H62-K72 HydrophobicContact CB-CB 4.02Å; H62-K72 HydrophobicContact CB-CD 4.24Å; H62-K72 HydrophobicContact CB-CG 3.87Å; H62-K72 PolarHBondContact CE1-NZ 3.42Å; H62-K72 WeakPolarHBondContact ND1-CD 3.3Å; H62-K72 WeakPolarHBondContact ND1-CE 3.46Å; H62-K72 PolarHBondContact ND1-NZ 2.94Å; Y63-K72 HydrophobicContact CE2-CB 4.45Å; Y63-K72 HydrophobicContact CE2-CG 3.8Å; Y63-K72 WeakPolarHBondContact CE2-O 3.2Å; C68-K72 WeakPolarHBondContact O-CB 3.48Å; C68-K72 PolarHBondContact O-N 2.95Å; K72-F75 PolarHBondContact O-N 3.38Å; K72-R76 WeakPolarHBondContact O-CB 3.39Å; K72-R76 PolarHBondContact O-N 3.27Å |
| 73 | G | 97 | Very high | 95.8 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D69 R77 | D69-G73 PolarHBondContact O-N 3.46Å; G73-R77 WeakPolarHBondContact O-CG 3.31Å; G73-R77 PolarHBondContact O-N 2.98Å; G73-R77 PolarHBondContact O-NH1 2.62Å |
| 74 | F | 98.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 175.6 | 172.1 | -98.9 | 0 | 0 | 0 | 112.1 | G70 C71 R76 R77 S78 Y85 R104 R107 L108 | G70-F74 VanDerWaalsContact O-CB 3.25Å; G70-F74 WeakPolarHBondContact O-CB 3.38Å; G70-F74 PolarHBondContact O-N 3.35Å; C71-F74 PolarHBondContact O-N 3.15Å; F74-R76 PolarHBondContact O-N 3.46Å; F74-R77 PolarHBondContact O-N 3.37Å; F74-S78 WeakPolarHBondContact O-CB 3.37Å; F74-S78 PolarHBondContact O-N 3.29Å; F74-S78 PolarHBondContact O-OG 3.09Å; F74-Y85 AromaticContact CE2-CE2 3.95Å; F74-Y85 HydrophobicContact CE2-CE2 3.95Å; F74-Y85 HydrophobicContact CZ-CD2 4.3Å; F74-Y85 AromaticContact CZ-CE2 3.74Å; F74-Y85 HydrophobicContact CZ-CE2 3.74Å; F74-R104 HydrophobicContact CE2-CB 4.08Å; F74-R104 HydrophobicContact CE2-CG 4.12Å; F74-R104 HydrophobicContact CZ-CB 4.14Å; F74-R104 WeakPolarHBondContact CZ-O 3.41Å; F74-R107 VanDerWaalsContact CD1-CD 3.46Å; F74-R107 HydrophobicContact CD1-CG 3.89Å; F74-R107 HydrophobicContact CE1-CB 3.94Å; F74-R107 HydrophobicContact CE1-CG 3.71Å; F74-R107 HydrophobicContact CZ-CB 4.13Å; F74-R107 HydrophobicContact CZ-CG 4.27Å; F74-L108 HydrophobicContact CE1-CB 3.8Å; F74-L108 HydrophobicContact CE1-CD1 4.18Å; F74-L108 HydrophobicContact CZ-CB 3.98Å |
| 75 | F | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 179.1 | -171.9 | -102.9 | 0 | 0 | 0 | 111.3 | Y63 C71 K72 R77 S78 V79 L108 C111 F112 M116 K117 V121 | Y63-F75 AromaticContact CD2-CD1 3.6Å; Y63-F75 HydrophobicContact CD2-CD1 3.6Å; Y63-F75 HydrophobicContact CD2-CE1 4.32Å; Y63-F75 HydrophobicContact CD2-CG 4.45Å; Y63-F75 HydrophobicContact CE2-CD1 4.21Å; Y63-F75 AromaticContact CG-CD1 3.89Å; Y63-F75 HydrophobicContact CG-CD1 3.89Å; Y63-F75 HydrophobicContact CG-CE1 4.16Å; C71-F75 WeakPolarHBondContact O-CB 3.34Å; C71-F75 PolarHBondContact O-N 3.31Å; K72-F75 PolarHBondContact O-N 3.38Å; F75-R77 PolarHBondContact O-N 2.94Å; F75-S78 PolarHBondContact O-N 3.17Å; F75-V79 HydrophobicContact CD1-CG2 4.17Å; F75-V79 HydrophobicContact CD2-CG2 4.44Å; F75-V79 HydrophobicContact CE1-CG2 3.86Å; F75-V79 HydrophobicContact CE2-CG2 4.16Å; F75-V79 HydrophobicContact CG-CG2 4.46Å; F75-V79 HydrophobicContact CZ-CG2 3.85Å; F75-V79 WeakPolarHBondContact O-CG2 3.5Å; F75-V79 PolarHBondContact O-N 3.41Å; F75-L108 HydrophobicContact CD2-CD1 3.84Å; F75-L108 HydrophobicContact CE2-CD1 4.18Å; F75-C111 HydrophobicContact CD2-CB 3.49Å; F75-C111 VanDerWaalsContact CD2-CB 3.49Å; F75-C111 HydrophobicContact CE2-CB 3.97Å; F75-C111 HydrophobicContact CG-CB 4.42Å; F75-F112 AromaticContact CE2-CD1 3.92Å; F75-F112 HydrophobicContact CE2-CD1 3.92Å; F75-F112 AromaticContact CE2-CE1 3.57Å; F75-F112 HydrophobicContact CE2-CE1 3.57Å; F75-F112 HydrophobicContact CE2-CE2 4.28Å; F75-F112 HydrophobicContact CE2-CG 4.4Å; F75-F112 AromaticContact CE2-CZ 3.77Å; F75-F112 HydrophobicContact CE2-CZ 3.77Å; F75-F112 HydrophobicContact CZ-CD1 4.15Å; F75-F112 AromaticContact CZ-CE1 3.64Å; F75-F112 HydrophobicContact CZ-CE1 3.64Å; F75-F112 HydrophobicContact CZ-CZ 4.15Å; F75-M116 HydrophobicContact CB-SD 3.7Å; F75-M116 HydrophobicContact CD1-CB 4.09Å; F75-M116 HydrophobicContact CD1-SD 4.13Å; F75-M116 HydrophobicContact CD2-CB 3.95Å; F75-M116 HydrophobicContact CD2-SD 3.87Å; F75-M116 HydrophobicContact CE1-CB 3.8Å; F75-M116 HydrophobicContact CE2-CB 3.64Å; F75-M116 HydrophobicContact CG-CB 4.15Å; F75-M116 HydrophobicContact CG-SD 3.63Å; F75-M116 HydrophobicContact CZ-CB 3.55Å; F75-M116 WeakPolarHBondContact CZ-O 3.35Å; F75-K117 WeakPolarHBondContact CE1-O 3.46Å; F75-V121 HydrophobicContact CD1-CG2 3.93Å; F75-V121 HydrophobicContact CE1-CG2 3.76Å |
| 76 | R | 96.6 | Very high | 95.6 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.2 | -49.2 | 176.1 | -171.4 | 175.6 | 69.1 | -175.7 | -0.7 | 112.9 | Y63 K72 F74 R80 V121 | Y63-R76 HydrophobicContact CE2-CB 4.34Å; Y63-R76 WeakPolarHBondContact OH-CB 3.47Å; Y63-R76 VanDerWaalsContact OH-CD 3.31Å; Y63-R76 WeakPolarHBondContact OH-CD 3.25Å; K72-R76 WeakPolarHBondContact O-CB 3.39Å; K72-R76 PolarHBondContact O-N 3.27Å; F74-R76 PolarHBondContact O-N 3.46Å; R76-R80 VanDerWaalsContact CD-CZ 3.5Å; R76-R80 VanDerWaalsContact CD-NH1 3.28Å; R76-R80 WeakPolarHBondContact O-CB 3.5Å; R76-R80 WeakPolarHBondContact O-CG 3.39Å; R76-R80 PolarHBondContact O-N 2.86Å; R76-V121 HydrophobicContact CG-CG1 4.1Å |
| 77 | R | 96.1 | Very high | 95.5 | Very high | 134 Ų | 134 | 57.3 Ų | 57.3 | 51% | 0.506 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 179.7 | -73.1 | -174 | -61.5 | -91.9 | 0.6 | 112 | G73 F74 F75 K81 | G73-R77 WeakPolarHBondContact O-CG 3.31Å; G73-R77 PolarHBondContact O-N 2.98Å; G73-R77 PolarHBondContact O-NH1 2.62Å; F74-R77 PolarHBondContact O-N 3.37Å; F75-R77 PolarHBondContact O-N 2.94Å; R77-K81 WeakPolarHBondContact O-CB 3.46Å; R77-K81 PolarHBondContact O-N 3.32Å |
| 78 | S | 96.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | -179.9 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | F74 F75 N82 H83 Y85 | F74-S78 WeakPolarHBondContact O-CB 3.37Å; F74-S78 PolarHBondContact O-N 3.29Å; F74-S78 PolarHBondContact O-OG 3.09Å; F75-S78 PolarHBondContact O-N 3.17Å; S78-N82 PolarHBondContact O-N 2.96Å; S78-H83 PolarHBondContact O-N 2.97Å; S78-Y85 WeakPolarHBondContact OG-CE2 3.49Å; S78-Y85 PolarHBondContact OG-OH 3.13Å |
| 79 | V | 95.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 75 Ų | 75 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.5 | -49 | 178.3 | 170 | 0 | 0 | 0 | 0 | 111.8 | F75 K81 N82 K118 V121 | F75-V79 HydrophobicContact CD1-CG2 4.17Å; F75-V79 HydrophobicContact CD2-CG2 4.44Å; F75-V79 HydrophobicContact CE1-CG2 3.86Å; F75-V79 HydrophobicContact CE2-CG2 4.16Å; F75-V79 HydrophobicContact CG-CG2 4.46Å; F75-V79 HydrophobicContact CZ-CG2 3.85Å; F75-V79 WeakPolarHBondContact O-CG2 3.5Å; F75-V79 PolarHBondContact O-N 3.41Å; V79-K81 VanDerWaalsContact C-N 3.34Å; V79-K81 PolarHBondContact O-N 3.29Å; V79-N82 PolarHBondContact O-N 3.19Å; V79-N82 VanDerWaalsContact O-N 3.08Å; V79-K118 HydrophobicContact CB-CG 4.36Å; V79-K118 HydrophobicContact CG1-CD 4.42Å; V79-K118 HydrophobicContact CG1-CG 3.47Å; V79-K118 VanDerWaalsContact CG1-CG 3.47Å; V79-K118 HydrophobicContact CG2-CG 3.99Å; V79-V121 HydrophobicContact CB-CB 4.32Å; V79-V121 HydrophobicContact CB-CG1 4.3Å; V79-V121 HydrophobicContact CB-CG2 4.02Å; V79-V121 HydrophobicContact CG1-CB 3.77Å; V79-V121 HydrophobicContact CG1-CG1 4.01Å; V79-V121 HydrophobicContact CG1-CG2 3.9Å; V79-V121 HydrophobicContact CG2-CG2 4.17Å |
| 80 | R | 90 | Very high | 95.1 | Very high | 97 Ų | 97 | 74.5 Ų | 74.5 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | -176.9 | -76.8 | -176.1 | -179.3 | 159.9 | -3.3 | 113.9 | R76 N82 V121 Q122 | R76-R80 VanDerWaalsContact CD-CZ 3.5Å; R76-R80 VanDerWaalsContact CD-NH1 3.28Å; R76-R80 WeakPolarHBondContact O-CB 3.5Å; R76-R80 WeakPolarHBondContact O-CG 3.39Å; R76-R80 PolarHBondContact O-N 2.86Å; R80-N82 VanDerWaalsContact C-N 3.27Å; R80-V121 HydrophobicContact CG-CG1 3.91Å; R80-Q122 PolarHBondContact NE-O 2.84Å; R80-Q122 PolarHBondContact NH2-O 2.85Å |
| 81 | K | 90.6 | Very high | 95 | Very high | 148 Ų | 148 | 78.1 Ų | 78.1 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 7 | 178.7 | -64.9 | -171.9 | 172.2 | -166.1 | 0 | 112.9 | R77 V79 H83 | R77-K81 WeakPolarHBondContact O-CB 3.46Å; R77-K81 PolarHBondContact O-N 3.32Å; V79-K81 VanDerWaalsContact C-N 3.34Å; V79-K81 PolarHBondContact O-N 3.29Å; K81-H83 WeakPolarHBondContact CB-NE2 3.32Å; K81-H83 VanDerWaalsContact CD-NE2 3.31Å; K81-H83 WeakPolarHBondContact CD-NE2 3.49Å; K81-H83 PolarHBondContact O-N 3.2Å; K81-H83 VanDerWaalsContact O-N 3.13Å |
| 82 | N | 89.8 | Confident | 94.9 | Very high | 103 Ų | 103 | 85.7 Ų | 85.7 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.3 | 45.2 | -174.4 | -160.8 | 42.1 | 0 | 0 | 0 | 112.8 | S78 V79 R80 M84 | S78-N82 PolarHBondContact O-N 2.96Å; V79-N82 PolarHBondContact O-N 3.19Å; V79-N82 VanDerWaalsContact O-N 3.08Å; R80-N82 VanDerWaalsContact C-N 3.27Å; N82-M84 PolarHBondContact O-N 3.17Å |
| 83 | H | 91.9 | Very high | 94.8 | Very high | 78 Ų | 78 | 84 Ų | 84 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | trans | -70 | 123.6 | -173.1 | -79.8 | -46.8 | 0 | 0 | 0 | 111.6 | S78 K81 Y85 | S78-H83 PolarHBondContact O-N 2.97Å; K81-H83 WeakPolarHBondContact CB-NE2 3.32Å; K81-H83 VanDerWaalsContact CD-NE2 3.31Å; K81-H83 WeakPolarHBondContact CD-NE2 3.49Å; K81-H83 PolarHBondContact O-N 3.2Å; K81-H83 VanDerWaalsContact O-N 3.13Å; H83-Y85 HydrophobicContact CB-CE1 3.83Å; H83-Y85 HydrophobicContact CB-CE2 4.02Å; H83-Y85 PolarHBondContact CD2-OH 3.44Å; H83-Y85 VanDerWaalsContact CD2-OH 3.26Å | ||
| 84 | M | 91.8 | Very high | 94.8 | Very high | 146 Ų | 146 | 88.7 Ų | 88.7 | 72% | 0.719 | 42% | 0.418 | S | S | * | . | trans | -94.6 | 113.9 | 168.7 | -61.7 | 177.5 | 71.7 | 0 | 0 | 108.9 | N82 | N82-M84 PolarHBondContact O-N 3.17Š| ||
| 85 | Y | 96.1 | Very high | 94.8 | Very high | 55 Ų | 55 | 88.6 Ų | 88.6 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | trans | -98.9 | 152.9 | 175.8 | -60 | -53.2 | 0 | 0 | 0 | 110.4 | F74 S78 H83 R104 Y105 L108 | F74-Y85 AromaticContact CE2-CE2 3.95Å; F74-Y85 HydrophobicContact CE2-CE2 3.95Å; F74-Y85 HydrophobicContact CZ-CD2 4.3Å; F74-Y85 AromaticContact CZ-CE2 3.74Å; F74-Y85 HydrophobicContact CZ-CE2 3.74Å; S78-Y85 WeakPolarHBondContact OG-CE2 3.49Å; S78-Y85 PolarHBondContact OG-OH 3.13Å; H83-Y85 HydrophobicContact CB-CE1 3.83Å; H83-Y85 HydrophobicContact CB-CE2 4.02Å; H83-Y85 PolarHBondContact CD2-OH 3.44Å; H83-Y85 VanDerWaalsContact CD2-OH 3.26Å; Y85-R104 HydrophobicContact CD1-CB 3.74Å; Y85-R104 HydrophobicContact CD2-CB 3.69Å; Y85-R104 HydrophobicContact CE1-CB 4.01Å; Y85-R104 HydrophobicContact CE1-CG 4.45Å; Y85-R104 HydrophobicContact CE2-CB 3.93Å; Y85-R104 HydrophobicContact CG-CB 3.59Å; Y85-Y105 VanDerWaalsContact O-CD2 3.25Å; Y85-Y105 WeakPolarHBondContact O-CD2 3.21Å; Y85-L108 HydrophobicContact CD2-CB 4.2Å; Y85-L108 HydrophobicContact CD2-CD2 3.79Å; Y85-L108 HydrophobicContact CE2-CD2 4.02Å | ||
| 86 | S | 94.9 | Very high | 94.7 | Very high | 101 Ų | 101 | 90.9 Ų | 90.9 | 71% | 0.706 | 43% | 0.431 | S | S | * | . | trans | -119 | 144.9 | 169.2 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 87 | C | 96.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 91.9 Ų | 91.9 | 10% | 0.095 | 44% | 0.438 | C | S | . | . | trans | -88 | 135.3 | 171.9 | -169.7 | 0 | 0 | 0 | 0 | 109.3 | F89 R91 C103 Y105 | C87-F89 VanDerWaalsContact C-N 3.27Å; C87-F89 PolarHBondContact SG-N 2.87Å; C87-F89 VanDerWaalsContact SG-N 3.42Å; C87-R91 HydrophobicContact CB-CB 4.43Å; C87-R91 HydrophobicContact CB-CG 3.75Å; C87-C103 VanDerWaalsContact SG-SG 3.64Å; C87-Y105 HydrophobicContact CB-CD1 3.67Å; C87-Y105 HydrophobicContact CB-CE1 4.39Å; C87-Y105 HydrophobicContact CB-CG 4.02Å | ||
| 88 | R | 95.8 | Very high | 94.6 | Very high | 239 Ų | 239 | 92 Ų | 92 | 90% | 0.902 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -83.8 | -1.7 | 174.8 | -62.8 | -177.1 | 177.5 | 173.8 | -3.5 | 113.8 | ||
| 89 | F | 94.6 | Very high | 94.5 | Very high | 135 Ų | 135 | 98.2 Ų | 98.2 | 59% | 0.592 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -129.6 | -159.1 | -176.1 | -52.2 | -70.7 | 0 | 0 | 0 | 109.6 | C87 R91 | C87-F89 VanDerWaalsContact C-N 3.27Å; C87-F89 PolarHBondContact SG-N 2.87Å; C87-F89 VanDerWaalsContact SG-N 3.42Å; F89-R91 PolarHBondContact O-N 2.98Å |
| 90 | S | 94.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 59% | 0.587 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -73.3 | 20.5 | -178 | 59.1 | 0 | 0 | 0 | 0 | 115.9 | Q92 | S90-Q92 WeakPolarHBondContact O-CG 3.33Å; S90-Q92 PolarHBondContact O-N 3.18Å; S90-Q92 VanDerWaalsContact O-N 3.09Å |
| 91 | R | 94.6 | Very high | 94.9 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 39% | 0.389 | 49% | 0.489 | S | S | . | . | S | Bend | trans | 57.8 | 20.7 | -177.1 | -60.9 | 178.7 | -179.3 | -157.9 | 3.7 | 114.5 | Y14 C87 F89 Y105 C106 | Y14-R91 PolarHBondContact OH-NH1 2.94Å; C87-R91 HydrophobicContact CB-CB 4.43Å; C87-R91 HydrophobicContact CB-CG 3.75Å; F89-R91 PolarHBondContact O-N 2.98Å; R91-Y105 HydrophobicContact CB-CD1 4.42Å; R91-Y105 HydrophobicContact CB-CE1 3.79Å; R91-Y105 HydrophobicContact CG-CD1 4.2Å; R91-Y105 HydrophobicContact CG-CE1 3.61Å; R91-Y105 PolarHBondContact NH1-OH 3.25Å; R91-C106 VanDerWaalsContact C-SG 3.59Å |
| 92 | Q | 95.6 | Very high | 95.2 | Very high | 159 Ų | 159 | 100.2 Ų | 100.2 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | trans | -120.2 | 25.8 | -178.3 | -66.8 | 173.5 | 39.3 | 0 | 0 | 112.8 | S90 V94 | S90-Q92 WeakPolarHBondContact O-CG 3.33Å; S90-Q92 PolarHBondContact O-N 3.18Å; S90-Q92 VanDerWaalsContact O-N 3.09Å; Q92-V94 PolarHBondContact O-N 3.38Å | ||
| 93 | C | 97.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 95.9 Ų | 95.9 | 21% | 0.209 | 47% | 0.469 | C | S | . | . | trans | -61.4 | 133.5 | -179.6 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | V95 C103 C106 | C93-V95 PolarHBondContact O-N 3.08Å; C93-C103 HydrophobicContact CB-CB 3.84Å; C93-C106 HydrophobicContact CB-CB 3.88Å; C93-C106 VanDerWaalsContact SG-SG 3.62Å | ||
| 94 | V | 96.4 | Very high | 95.8 | Very high | 105 Ų | 105 | 99.8 Ų | 99.8 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | trans | -63.5 | 133.4 | 173.6 | 179.8 | 0 | 0 | 0 | 0 | 110 | Q92 D96 | Q92-V94 PolarHBondContact O-N 3.38Å; V94-D96 HydrophobicContact CG1-CB 4.46Å | ||
| 95 | V | 97.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 93.3 Ų | 93.3 | 6% | 0.061 | 45% | 0.448 | C | S | . | . | trans | -119.7 | 96.6 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | I53 C54 C93 R100 C106 R107 K110 | I53-V95 HydrophobicContact CG2-CG1 4.07Å; I53-V95 WeakPolarHBondContact O-CG1 3.36Å; C54-V95 HydrophobicContact CB-CG1 4.17Å; C93-V95 PolarHBondContact O-N 3.08Å; V95-R100 HydrophobicContact CG1-CB 3.95Å; V95-C106 HydrophobicContact CG2-CB 4.27Å; V95-R107 HydrophobicContact CG1-CG 4.21Å; V95-R107 HydrophobicContact CG2-CB 4.49Å; V95-K110 HydrophobicContact CB-CD 3.81Å; V95-K110 HydrophobicContact CG1-CD 4.23Å; V95-K110 HydrophobicContact CG2-CD 4.24Å; V95-K110 PolarHBondContact O-NZ 2.95Å | ||
| 96 | D | 96.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 91.1 Ų | 91.1 | 26% | 0.257 | 44% | 0.441 | S | S | . | . | trans | -120.1 | -177.4 | 174.8 | 59.4 | 41.8 | 0 | 0 | 0 | 110.3 | C54 V94 D98 K99 R100 | C54-D96 CarbonylContact O-C 3.57Å; C54-D96 WeakPolarHBondContact O-CA 3.25Å; V94-D96 HydrophobicContact CG1-CB 4.46Å; D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 3.44Å; D96-D98 PolarHBondContact OD1-N 3.24Å; D96-D98 VanDerWaalsContact OD1-N 3.09Å; D96-K99 WeakPolarHBondContact OD1-CA 3.47Å; D96-K99 VanDerWaalsContact OD1-CB 3.32Å; D96-K99 WeakPolarHBondContact OD1-CB 3.34Å; D96-K99 PolarHBondContact OD1-N 3.23Å; D96-R100 WeakPolarHBondContact O-CB 3.27Å; D96-R100 PolarHBondContact O-N 3.37Å | ||
| 97 | K | 95.7 | Very high | 96.4 | Very high | 116 Ų | 116 | 86.8 Ų | 86.8 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -41.7 | -176.2 | -178.8 | -177.8 | 177.1 | -172.2 | 0 | 112.3 | C54 D56 | C54-K97 PolarHBondContact O-N 3.08Å; D56-K97 HydrophobicContact CB-CB 4.39Å; D56-K97 HydrophobicContact CB-CG 4.12Å |
| 98 | D | 95.3 | Very high | 96.5 | Very high | 137 Ų | 137 | 87.1 Ų | 87.1 | 73% | 0.733 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -33.6 | -169.9 | -54.8 | -48.7 | 0 | 0 | 0 | 111.9 | D96 | D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 3.44Å; D96-D98 PolarHBondContact OD1-N 3.24Å; D96-D98 VanDerWaalsContact OD1-N 3.09Å |
| 99 | K | 94.4 | Very high | 96.5 | Very high | 132 Ų | 132 | 79 Ų | 79 | 57% | 0.574 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 3.9 | -173.4 | -57 | 179.3 | -174.7 | 176.7 | 0 | 113.8 | D96 N101 Q102 | D96-K99 WeakPolarHBondContact OD1-CA 3.47Å; D96-K99 VanDerWaalsContact OD1-CB 3.32Å; D96-K99 WeakPolarHBondContact OD1-CB 3.34Å; D96-K99 PolarHBondContact OD1-N 3.23Å; K99-N101 PolarHBondContact O-N 2.97Å; K99-Q102 VanDerWaalsContact O-CB 3.24Å; K99-Q102 WeakPolarHBondContact O-CB 3.48Å; K99-Q102 PolarHBondContact O-N 3.45Å |
| 100 | R | 96.7 | Very high | 96.7 | Very high | 45 Ų | 45 | 76.1 Ų | 76.1 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20.7 | 176.7 | 60.1 | -170.4 | -174.1 | -169.5 | -5.1 | 115 | C54 D56 C68 V95 D96 R107 | C54-R100 HydrophobicContact CB-CB 4.11Å; C54-R100 PolarHBondContact SG-NH1 3.21Å; C54-R100 VanDerWaalsContact SG-NH1 3.37Å; D56-R100 IonicContact OD2-CZ 3.52Å; D56-R100 IonicContact OD2-NH1 2.78Å; D56-R100 PolarHBondContact OD2-NH1 3.4Å; D56-R100 IonicContact OD2-NH2 3.46Å; D56-R100 PolarHBondContact OD2-NH2 2.95Å; C68-R100 PolarHBondContact SG-NH1 3.2Å; V95-R100 HydrophobicContact CG1-CB 3.95Å; D96-R100 WeakPolarHBondContact O-CB 3.27Å; D96-R100 PolarHBondContact O-N 3.37Å; R100-R107 VanDerWaalsContact O-CD 3.29Å; R100-R107 WeakPolarHBondContact O-CD 3.44Å; R100-R107 PolarHBondContact O-NH1 2.68Å |
| 101 | N | 96.4 | Very high | 96.9 | Very high | 116 Ų | 116 | 72.1 Ų | 72.1 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -9.5 | 178.5 | -65.6 | -29.4 | 0 | 0 | 0 | 113.7 | K99 C103 R107 | K99-N101 PolarHBondContact O-N 2.97Å; N101-C103 PolarHBondContact O-N 3.41Å; N101-R107 PolarHBondContact OD1-NH1 2.92Å |
| 102 | Q | 96.3 | Very high | 97 | Very high | 147 Ų | 147 | 70 Ų | 70 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -67.2 | -37.3 | -174 | -169.2 | 63.4 | 28.9 | 0 | 0 | 113 | K99 | K99-Q102 VanDerWaalsContact O-CB 3.24Å; K99-Q102 WeakPolarHBondContact O-CB 3.48Å; K99-Q102 PolarHBondContact O-N 3.45Å |
| 103 | C | 97.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 71.6 Ų | 71.6 | 8% | 0.081 | 33% | 0.333 | C | S | . | . | trans | -138.4 | 107.4 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | C87 C93 N101 Y105 C106 R107 | C87-C103 VanDerWaalsContact SG-SG 3.64Å; C93-C103 HydrophobicContact CB-CB 3.84Å; N101-C103 PolarHBondContact O-N 3.41Å; C103-Y105 VanDerWaalsContact C-N 3.33Å; C103-Y105 PolarHBondContact O-N 3.35Å; C103-C106 HydrophobicContact CB-CB 4.16Å; C103-C106 VanDerWaalsContact SG-SG 3.64Å; C103-R107 WeakPolarHBondContact O-CB 3.39Å; C103-R107 PolarHBondContact O-N 2.76Å; C103-R107 VanDerWaalsContact O-N 3.08Å | ||
| 104 | R | 97.8 | Very high | 97 | Very high | 160 Ų | 160 | 71.6 Ų | 71.6 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.5 | -35.2 | 179.1 | -61.6 | 178.8 | -174.7 | 143.2 | 0.5 | 112.4 | F74 Y85 L108 | F74-R104 HydrophobicContact CE2-CB 4.08Å; F74-R104 HydrophobicContact CE2-CG 4.12Å; F74-R104 HydrophobicContact CZ-CB 4.14Å; F74-R104 WeakPolarHBondContact CZ-O 3.41Å; Y85-R104 HydrophobicContact CD1-CB 3.74Å; Y85-R104 HydrophobicContact CD2-CB 3.69Å; Y85-R104 HydrophobicContact CE1-CB 4.01Å; Y85-R104 HydrophobicContact CE1-CG 4.45Å; Y85-R104 HydrophobicContact CE2-CB 3.93Å; Y85-R104 HydrophobicContact CG-CB 3.59Å; R104-L108 WeakPolarHBondContact O-CB 3.15Å; R104-L108 PolarHBondContact O-N 3.18Å |
| 105 | Y | 98.2 | Very high | 97 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -56.8 | 175.2 | 175.1 | -89.8 | 0 | 0 | 0 | 111.6 | F19 Y85 C87 R91 C103 R107 L108 K109 | F19-Y105 HydrophobicContact CZ-CE2 4.16Å; Y85-Y105 VanDerWaalsContact O-CD2 3.25Å; Y85-Y105 WeakPolarHBondContact O-CD2 3.21Å; C87-Y105 HydrophobicContact CB-CD1 3.67Å; C87-Y105 HydrophobicContact CB-CE1 4.39Å; C87-Y105 HydrophobicContact CB-CG 4.02Å; R91-Y105 HydrophobicContact CB-CD1 4.42Å; R91-Y105 HydrophobicContact CB-CE1 3.79Å; R91-Y105 HydrophobicContact CG-CD1 4.2Å; R91-Y105 HydrophobicContact CG-CE1 3.61Å; R91-Y105 PolarHBondContact NH1-OH 3.25Å; C103-Y105 VanDerWaalsContact C-N 3.33Å; C103-Y105 PolarHBondContact O-N 3.35Å; Y105-R107 VanDerWaalsContact C-N 3.27Å; Y105-R107 PolarHBondContact O-N 3.17Å; Y105-L108 PolarHBondContact O-N 2.92Å; Y105-K109 HydrophobicContact CE1-CD 4Å; Y105-K109 WeakPolarHBondContact O-CB 3.41Å; Y105-K109 PolarHBondContact O-N 3.2Å |
| 106 | C | 98.1 | Very high | 97 | Very high | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -35.5 | -178.1 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | R91 C93 V95 C103 K110 | R91-C106 VanDerWaalsContact C-SG 3.59Å; C93-C106 HydrophobicContact CB-CB 3.88Å; C93-C106 VanDerWaalsContact SG-SG 3.62Å; V95-C106 HydrophobicContact CG2-CB 4.27Å; C103-C106 HydrophobicContact CB-CB 4.16Å; C103-C106 VanDerWaalsContact SG-SG 3.64Å; C106-K110 VanDerWaalsContact O-CB 3.28Å; C106-K110 WeakPolarHBondContact O-CB 3.42Å; C106-K110 PolarHBondContact O-N 2.97Å |
| 107 | R | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 71.2 Ų | 71.2 | 3% | 0.034 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 174.2 | -169.4 | -170.6 | -170 | 160.9 | -3.3 | 112.2 | I53 G70 C71 F74 V95 R100 N101 C103 Y105 K110 C111 | I53-R107 HydrophobicContact CG2-CG 4.36Å; G70-R107 VanDerWaalsContact C-NH2 3.32Å; G70-R107 PolarHBondContact O-NH2 3.42Å; C71-R107 PolarHBondContact SG-NH2 3.01Å; F74-R107 VanDerWaalsContact CD1-CD 3.46Å; F74-R107 HydrophobicContact CD1-CG 3.89Å; F74-R107 HydrophobicContact CE1-CB 3.94Å; F74-R107 HydrophobicContact CE1-CG 3.71Å; F74-R107 HydrophobicContact CZ-CB 4.13Å; F74-R107 HydrophobicContact CZ-CG 4.27Å; V95-R107 HydrophobicContact CG1-CG 4.21Å; V95-R107 HydrophobicContact CG2-CB 4.49Å; R100-R107 VanDerWaalsContact O-CD 3.29Å; R100-R107 WeakPolarHBondContact O-CD 3.44Å; R100-R107 PolarHBondContact O-NH1 2.68Å; N101-R107 PolarHBondContact OD1-NH1 2.92Å; C103-R107 WeakPolarHBondContact O-CB 3.39Å; C103-R107 PolarHBondContact O-N 2.76Å; C103-R107 VanDerWaalsContact O-N 3.08Å; Y105-R107 VanDerWaalsContact C-N 3.27Å; Y105-R107 PolarHBondContact O-N 3.17Å; R107-K110 PolarHBondContact O-N 3.48Å; R107-C111 PolarHBondContact O-N 3.21Å; R107-C111 PolarHBondContact O-SG 3.41Å |
| 108 | L | 98 | Very high | 96.9 | Very high | 22 Ų | 22 | 70.6 Ų | 70.6 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 179.8 | -175.5 | 60.2 | 0 | 0 | 0 | 111.5 | F74 F75 Y85 R104 Y105 K110 C111 F112 | F74-L108 HydrophobicContact CE1-CB 3.8Å; F74-L108 HydrophobicContact CE1-CD1 4.18Å; F74-L108 HydrophobicContact CZ-CB 3.98Å; F75-L108 HydrophobicContact CD2-CD1 3.84Å; F75-L108 HydrophobicContact CE2-CD1 4.18Å; Y85-L108 HydrophobicContact CD2-CB 4.2Å; Y85-L108 HydrophobicContact CD2-CD2 3.79Å; Y85-L108 HydrophobicContact CE2-CD2 4.02Å; R104-L108 WeakPolarHBondContact O-CB 3.15Å; R104-L108 PolarHBondContact O-N 3.18Å; Y105-L108 PolarHBondContact O-N 2.92Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 2.85Å; L108-C111 VanDerWaalsContact O-CB 3.3Å; L108-C111 WeakPolarHBondContact O-CB 3.28Å; L108-C111 PolarHBondContact O-N 3.47Å; L108-C111 VanDerWaalsContact O-N 3.12Å; L108-F112 HydrophobicContact CD1-CD2 4.45Å; L108-F112 HydrophobicContact CD1-CE2 3.88Å; L108-F112 HydrophobicContact CD1-CZ 4.45Å; L108-F112 HydrophobicContact CD2-CE2 4.39Å; L108-F112 HydrophobicContact CG-CD2 4.28Å; L108-F112 HydrophobicContact CG-CE2 3.82Å; L108-F112 VanDerWaalsContact O-CD2 3.31Å; L108-F112 WeakPolarHBondContact O-CD2 3.36Å; L108-F112 PolarHBondContact O-N 3.36Å |
| 109 | K | 97.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 30% | 0.3 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.1 | -42.5 | 172.3 | -178.8 | 168 | -175.3 | 172.1 | 0 | 111.5 | F19 Y105 F112 R113 | F19-K109 HydrophobicContact CE1-CB 4.13Å; F19-K109 HydrophobicContact CE1-CG 4.07Å; Y105-K109 HydrophobicContact CE1-CD 4Å; Y105-K109 WeakPolarHBondContact O-CB 3.41Å; Y105-K109 PolarHBondContact O-N 3.2Å; K109-F112 PolarHBondContact O-N 2.93Å; K109-R113 WeakPolarHBondContact O-CG 3.43Å; K109-R113 PolarHBondContact O-N 3.29Å |
| 110 | K | 97.9 | Very high | 96.7 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 32% | 0.317 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.9 | -31.9 | 176.8 | -164.8 | 171.3 | -178.5 | -172.3 | 0 | 112.8 | I53 V95 C106 R107 L108 R113 A114 | I53-K110 HydrophobicContact CG2-CB 4.32Å; I53-K110 HydrophobicContact CG2-CD 4.4Å; I53-K110 HydrophobicContact CG2-CG 4.27Å; I53-K110 WeakPolarHBondContact O-CD 3.27Å; I53-K110 WeakPolarHBondContact O-CE 3.35Å; I53-K110 PolarHBondContact O-NZ 3.32Å; V95-K110 HydrophobicContact CB-CD 3.81Å; V95-K110 HydrophobicContact CG1-CD 4.23Å; V95-K110 HydrophobicContact CG2-CD 4.24Å; V95-K110 PolarHBondContact O-NZ 2.95Å; C106-K110 VanDerWaalsContact O-CB 3.28Å; C106-K110 WeakPolarHBondContact O-CB 3.42Å; C106-K110 PolarHBondContact O-N 2.97Å; R107-K110 PolarHBondContact O-N 3.48Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 2.85Å; K110-R113 PolarHBondContact O-N 2.91Å; K110-A114 VanDerWaalsContact O-CB 3.3Å; K110-A114 WeakPolarHBondContact O-CB 3.32Å; K110-A114 PolarHBondContact O-N 3.4Å |
| 111 | C | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -49.8 | 171.4 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | F75 R107 L108 A114 G115 M116 | F75-C111 HydrophobicContact CD2-CB 3.49Å; F75-C111 VanDerWaalsContact CD2-CB 3.49Å; F75-C111 HydrophobicContact CE2-CB 3.97Å; F75-C111 HydrophobicContact CG-CB 4.42Å; R107-C111 PolarHBondContact O-N 3.21Å; R107-C111 PolarHBondContact O-SG 3.41Å; L108-C111 VanDerWaalsContact O-CB 3.3Å; L108-C111 WeakPolarHBondContact O-CB 3.28Å; L108-C111 PolarHBondContact O-N 3.47Å; L108-C111 VanDerWaalsContact O-N 3.12Å; C111-A114 PolarHBondContact O-N 3.36Å; C111-G115 PolarHBondContact O-N 3.04Å; C111-M116 HydrophobicContact CB-CB 4.28Å; C111-M116 HydrophobicContact CB-CG 4.29Å; C111-M116 HydrophobicContact CB-SD 3.62Å; C111-M116 VanDerWaalsContact O-CB 3.28Å; C111-M116 WeakPolarHBondContact O-CB 3.29Å; C111-M116 PolarHBondContact O-N 3.38Å |
| 112 | F | 97.5 | Very high | 96 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177 | -71.1 | -63.4 | 0 | 0 | 0 | 112 | F19 F75 L108 K109 A114 G115 M116 K118 | F19-F112 HydrophobicContact CD1-CD2 4.03Å; F19-F112 HydrophobicContact CE1-CD2 4.49Å; F75-F112 AromaticContact CE2-CD1 3.92Å; F75-F112 HydrophobicContact CE2-CD1 3.92Å; F75-F112 AromaticContact CE2-CE1 3.57Å; F75-F112 HydrophobicContact CE2-CE1 3.57Å; F75-F112 HydrophobicContact CE2-CE2 4.28Å; F75-F112 HydrophobicContact CE2-CG 4.4Å; F75-F112 AromaticContact CE2-CZ 3.77Å; F75-F112 HydrophobicContact CE2-CZ 3.77Å; F75-F112 HydrophobicContact CZ-CD1 4.15Å; F75-F112 AromaticContact CZ-CE1 3.64Å; F75-F112 HydrophobicContact CZ-CE1 3.64Å; F75-F112 HydrophobicContact CZ-CZ 4.15Å; L108-F112 HydrophobicContact CD1-CD2 4.45Å; L108-F112 HydrophobicContact CD1-CE2 3.88Å; L108-F112 HydrophobicContact CD1-CZ 4.45Å; L108-F112 HydrophobicContact CD2-CE2 4.39Å; L108-F112 HydrophobicContact CG-CD2 4.28Å; L108-F112 HydrophobicContact CG-CE2 3.82Å; L108-F112 VanDerWaalsContact O-CD2 3.31Å; L108-F112 WeakPolarHBondContact O-CD2 3.36Å; L108-F112 PolarHBondContact O-N 3.36Å; K109-F112 PolarHBondContact O-N 2.93Å; F112-A114 PolarHBondContact O-N 2.74Å; F112-G115 PolarHBondContact O-N 3.19Å; F112-M116 WeakPolarHBondContact CD1-O 3.39Å; F112-K118 HydrophobicContact CE1-CB 4.26Å |
| 113 | R | 96.8 | Very high | 95.3 | Very high | 192 Ų | 192 | 64.9 Ų | 64.9 | 73% | 0.725 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.1 | -31 | 176.3 | -73.2 | -179.6 | 65.1 | -171.5 | 1.5 | 113.7 | K109 K110 G115 | K109-R113 WeakPolarHBondContact O-CG 3.43Å; K109-R113 PolarHBondContact O-N 3.29Å; K110-R113 PolarHBondContact O-N 2.91Å; R113-G115 PolarHBondContact O-N 3.41Å |
| 114 | A | 96.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 72.1 Ų | 72.1 | 26% | 0.256 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A52 I53 A65 K110 C111 F112 | A52-A114 HydrophobicContact CB-CB 4.06Å; I53-A114 HydrophobicContact CD1-CB 4.2Å; I53-A114 HydrophobicContact CG1-CB 4.02Å; A65-A114 HydrophobicContact CB-CB 4.35Å; A65-A114 WeakPolarHBondContact CB-O 3.4Å; K110-A114 VanDerWaalsContact O-CB 3.3Å; K110-A114 WeakPolarHBondContact O-CB 3.32Å; K110-A114 PolarHBondContact O-N 3.4Å; C111-A114 PolarHBondContact O-N 3.36Å; F112-A114 PolarHBondContact O-N 2.74Å |
| 115 | G | 96.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 73.5 Ų | 73.5 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 18.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | C111 F112 R113 K117 | C111-G115 PolarHBondContact O-N 3.04Å; F112-G115 PolarHBondContact O-N 3.19Å; R113-G115 PolarHBondContact O-N 3.41Å; G115-K117 PolarHBondContact O-N 3.12Å |
| 116 | M | 97.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.02 | 39% | 0.386 | C | S | . | . | trans | -72.9 | 124.7 | 171.1 | -68.1 | -173.1 | 156.9 | 0 | 0 | 111 | I53 Y63 A65 S67 F75 C111 F112 | I53-M116 HydrophobicContact CD1-CE 3.71Å; I53-M116 HydrophobicContact CD1-SD 4.26Å; Y63-M116 CarbonylContact O-C 3.43Å; Y63-M116 VanDerWaalsContact O-CA 3.31Å; Y63-M116 WeakPolarHBondContact O-CA 3.46Å; A65-M116 HydrophobicContact CB-CG 3.72Å; S67-M116 WeakPolarHBondContact OG-CE 3.39Å; F75-M116 HydrophobicContact CB-SD 3.7Å; F75-M116 HydrophobicContact CD1-CB 4.09Å; F75-M116 HydrophobicContact CD1-SD 4.13Å; F75-M116 HydrophobicContact CD2-CB 3.95Å; F75-M116 HydrophobicContact CD2-SD 3.87Å; F75-M116 HydrophobicContact CE1-CB 3.8Å; F75-M116 HydrophobicContact CE2-CB 3.64Å; F75-M116 HydrophobicContact CG-CB 4.15Å; F75-M116 HydrophobicContact CG-SD 3.63Å; F75-M116 HydrophobicContact CZ-CB 3.55Å; F75-M116 WeakPolarHBondContact CZ-O 3.35Å; C111-M116 HydrophobicContact CB-CB 4.28Å; C111-M116 HydrophobicContact CB-CG 4.29Å; C111-M116 HydrophobicContact CB-SD 3.62Å; C111-M116 VanDerWaalsContact O-CB 3.28Å; C111-M116 WeakPolarHBondContact O-CB 3.29Å; C111-M116 PolarHBondContact O-N 3.38Å; F112-M116 WeakPolarHBondContact CD1-O 3.39Å | ||
| 117 | K | 95.9 | Very high | 90.8 | Very high | 115 Ų | 115 | 90.4 Ų | 90.4 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | trans | -96.7 | 123.8 | -174.3 | -75.1 | -178.6 | 171 | -156.3 | 0 | 111.5 | Y63 F75 G115 E119 A120 | Y63-K117 WeakPolarHBondContact O-CB 3.45Å; Y63-K117 PolarHBondContact O-N 3.12Å; F75-K117 WeakPolarHBondContact CE1-O 3.46Å; G115-K117 PolarHBondContact O-N 3.12Å; K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 VanDerWaalsContact CB-CD 3.5Å; K117-E119 HydrophobicContact CB-CG 4.35Å; K117-E119 WeakPolarHBondContact CB-OE1 3.49Å; K117-E119 WeakPolarHBondContact CB-OE2 3.34Å; K117-E119 VanDerWaalsContact CD-OE1 3.24Å; K117-E119 WeakPolarHBondContact CD-OE1 3.28Å; K117-E119 VanDerWaalsContact CG-OE1 3.29Å; K117-E119 WeakPolarHBondContact CG-OE1 3.42Å; K117-E119 PolarHBondContact O-N 3.21Å; K117-A120 HydrophobicContact CB-CB 3.95Å; K117-A120 WeakPolarHBondContact O-CB 3.49Å; K117-A120 PolarHBondContact O-N 3.5Å | ||
| 118 | K | 94.3 | Very high | 89.4 | Confident | 104 Ų | 104 | 98.2 Ų | 98.2 | 45% | 0.452 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -63.1 | -41.2 | 179.9 | -174.1 | -175.2 | 176.7 | -179.7 | 0 | 110.6 | V79 F112 A120 V121 | V79-K118 HydrophobicContact CB-CG 4.36Å; V79-K118 HydrophobicContact CG1-CD 4.42Å; V79-K118 HydrophobicContact CG1-CG 3.47Å; V79-K118 VanDerWaalsContact CG1-CG 3.47Å; V79-K118 HydrophobicContact CG2-CG 3.99Å; F112-K118 HydrophobicContact CE1-CB 4.26Å; K118-A120 PolarHBondContact O-N 3.27Å; K118-V121 WeakPolarHBondContact O-CB 3.42Å; K118-V121 PolarHBondContact O-N 3.35Å |
| 119 | E | 92.1 | Very high | 87.6 | Confident | 140 Ų | 140 | 100.3 Ų | 100.3 | 65% | 0.654 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -63.9 | -21.3 | 178.9 | 69.6 | -81.6 | -167.5 | 0 | 0 | 113.4 | K117 V121 | K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 VanDerWaalsContact CB-CD 3.5Å; K117-E119 HydrophobicContact CB-CG 4.35Å; K117-E119 WeakPolarHBondContact CB-OE1 3.49Å; K117-E119 WeakPolarHBondContact CB-OE2 3.34Å; K117-E119 VanDerWaalsContact CD-OE1 3.24Å; K117-E119 WeakPolarHBondContact CD-OE1 3.28Å; K117-E119 VanDerWaalsContact CG-OE1 3.29Å; K117-E119 WeakPolarHBondContact CG-OE1 3.42Å; K117-E119 PolarHBondContact O-N 3.21Å; E119-V121 PolarHBondContact O-N 3.28Å |
| 120 | A | 92.8 | Very high | 85.5 | Confident | 44 Ų | 44 | 104.1 Ų | 104.1 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -78.1 | -6.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y63 K117 K118 Q122 | Y63-A120 HydrophobicContact CD1-CB 4.07Å; Y63-A120 WeakPolarHBondContact CD1-O 3.45Å; K117-A120 HydrophobicContact CB-CB 3.95Å; K117-A120 WeakPolarHBondContact O-CB 3.49Å; K117-A120 PolarHBondContact O-N 3.5Å; K118-A120 PolarHBondContact O-N 3.27Å; A120-Q122 PolarHBondContact O-N 2.82Å |
| 121 | V | 91.7 | Very high | 83.3 | Confident | 17 Ų | 17 | 110.6 Ų | 110.6 | 10% | 0.103 | 53% | 0.532 | C | S | . | . | trans | -87.4 | 104.4 | 178 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | Y63 F75 R76 V79 R80 K118 E119 | Y63-V121 HydrophobicContact CD1-CG2 3.74Å; Y63-V121 HydrophobicContact CE1-CB 4.41Å; Y63-V121 HydrophobicContact CE1-CG2 3.81Å; Y63-V121 HydrophobicContact CG-CG2 4.25Å; F75-V121 HydrophobicContact CD1-CG2 3.93Å; F75-V121 HydrophobicContact CE1-CG2 3.76Å; R76-V121 HydrophobicContact CG-CG1 4.1Å; V79-V121 HydrophobicContact CB-CB 4.32Å; V79-V121 HydrophobicContact CB-CG1 4.3Å; V79-V121 HydrophobicContact CB-CG2 4.02Å; V79-V121 HydrophobicContact CG1-CB 3.77Å; V79-V121 HydrophobicContact CG1-CG1 4.01Å; V79-V121 HydrophobicContact CG1-CG2 3.9Å; V79-V121 HydrophobicContact CG2-CG2 4.17Å; R80-V121 HydrophobicContact CG-CG1 3.91Å; K118-V121 WeakPolarHBondContact O-CB 3.42Å; K118-V121 PolarHBondContact O-N 3.35Å; E119-V121 PolarHBondContact O-N 3.28Å | ||
| 122 | Q | 87.6 | Confident | 81.3 | Confident | 115 Ų | 115 | 118.7 Ų | 118.7 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 153.1 | 175.1 | -65.2 | 178.7 | -11.7 | 0 | 0 | 112.5 | R80 A120 | R80-Q122 PolarHBondContact NE-O 2.84Å; R80-Q122 PolarHBondContact NH2-O 2.85Å; A120-Q122 PolarHBondContact O-N 2.82Å |
| 123 | N | 80.1 | Confident | 78.9 | Confident | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 167.2 | 170.9 | -71.1 | -17.6 | 0 | 0 | 0 | 111.8 | R125 | N123-R125 PolarHBondContact O-N 2.88Š|
| 124 | E | 78.3 | Confident | 76.8 | Confident | 165 Ų | 165 | 115.8 Ų | 115.8 | 77% | 0.771 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 138.7 | 173.4 | -62.8 | -162.9 | 155.6 | 0 | 0 | 109.7 | ||
| 125 | R | 79.7 | Confident | 74.6 | Confident | 188 Ų | 188 | 125.3 Ų | 125.3 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -99 | 160 | 171.4 | -61 | -176 | -171.7 | -178.6 | -0.5 | 107.4 | N123 | N123-R125 PolarHBondContact O-N 2.88Š|
| 126 | D | 68.6 | Low | 72.6 | Confident | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 146.7 | 173 | -62.7 | -36.2 | 0 | 0 | 0 | 111.2 | I128 | D126-I128 PolarHBondContact O-N 3.35Š|
| 127 | R | 71 | Confident | 70.6 | Confident | 222 Ų | 222 | 133.5 Ų | 133.5 | 84% | 0.838 | 64% | 0.642 | S | S | * | * | trans | -62.7 | 115.1 | 179.7 | -70.5 | -178.9 | 175.7 | -126.8 | 2.3 | 108.5 | S129 | R127-S129 PolarHBondContact O-N 3.25Š| ||
| 128 | I | 70.2 | Confident | 68.8 | Low | 173 Ų | 173 | 134 Ų | 134 | 89% | 0.887 | 66% | 0.66 | S | S | * | * | trans | -75.4 | 30 | 165.9 | -39.9 | 173.8 | 0 | 0 | 0 | 110 | D126 | D126-I128 PolarHBondContact O-N 3.35Š| ||
| 129 | S | 59.3 | Low | 67.2 | Low | 66 Ų | 66 | 131.8 Ų | 131.8 | 46% | 0.462 | 66% | 0.657 | S | S | . | * | trans | -104.4 | 124.2 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | R127 R131 | R127-S129 PolarHBondContact O-N 3.25Å; S129-R131 PolarHBondContact O-N 3.05Å; S129-R131 PolarHBondContact OG-N 3.47Å | ||
| 130 | T | 54.1 | Low | 66.3 | Low | 149 Ų | 149 | 127.8 Ų | 127.8 | 91% | 0.914 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -69.5 | -1.9 | 171.5 | 39.5 | 0 | 0 | 0 | 0 | 113.5 | R132 | T130-R132 PolarHBondContact O-N 2.85Š|
| 131 | R | 50.2 | Low | 65.7 | Low | 210 Ų | 210 | 126 Ų | 126 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | trans | -90.6 | 98.2 | 175.4 | -66 | -166.5 | -173.7 | -153.7 | 1.7 | 109.9 | S129 S133 | S129-R131 PolarHBondContact O-N 3.05Å; S129-R131 PolarHBondContact OG-N 3.47Å; R131-S133 PolarHBondContact O-N 3.35Å | ||
| 132 | R | 55.8 | Low | 65.6 | Low | 169 Ų | 169 | 127.5 Ų | 127.5 | 64% | 0.638 | 64% | 0.636 | S | S | * | * | trans | -62.2 | 129.7 | 158.8 | -74.3 | -174.7 | 176.6 | 168.1 | 3.7 | 108 | T130 S134 D316 | T130-R132 PolarHBondContact O-N 2.85Å; R132-S134 PolarHBondContact O-N 3.28Å; R132-D316 IonicContact CZ-OD1 3.04Å; R132-D316 IonicContact CZ-OD2 3.87Å; R132-D316 IonicContact NH1-OD1 2.79Å; R132-D316 PolarHBondContact NH1-OD1 3.41Å; R132-D316 IonicContact NH1-OD2 3.15Å; R132-D316 PolarHBondContact NH1-OD2 2.69Å; R132-D316 VanDerWaalsContact NH1-OD2 3.15Å; R132-D316 IonicContact NH2-OD1 2.66Å; R132-D316 PolarHBondContact NH2-OD1 3.2Å | ||
| 133 | S | 46.9 | Very low | 65.8 | Low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 62% | 0.616 | S | S | * | * | trans | -82.9 | 88.2 | 171.2 | 176 | 0 | 0 | 0 | 0 | 106.9 | R131 Y135 | R131-S133 PolarHBondContact O-N 3.35Å; S133-Y135 PolarHBondContact O-N 3.29Å | ||
| 134 | S | 52.7 | Low | 66.4 | Low | 79 Ų | 79 | 122 Ų | 122 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | trans | -79.4 | 120.2 | 172.7 | 64.2 | 0 | 0 | 0 | 0 | 108.8 | R132 E136 | R132-S134 PolarHBondContact O-N 3.28Å; S134-E136 PolarHBondContact O-N 3.1Å; S134-E136 WeakPolarHBondContact OG-CG 3.23Å | ||
| 135 | Y | 50.5 | Low | 67.1 | Low | 231 Ų | 231 | 115.6 Ų | 115.6 | 91% | 0.906 | 59% | 0.586 | S | S | * | * | trans | -85.1 | 67 | 168.4 | -133.3 | -90.7 | 0 | 0 | 0 | 105.6 | S133 D137 | S133-Y135 PolarHBondContact O-N 3.29Å; Y135-D137 PolarHBondContact O-N 3.44Å | ||
| 136 | E | 54.3 | Low | 67.9 | Low | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | trans | -75.3 | 113.8 | -176 | -69 | -63.8 | 115.5 | 0 | 0 | 109.8 | S134 S138 | S134-E136 PolarHBondContact O-N 3.1Å; S134-E136 WeakPolarHBondContact OG-CG 3.23Å; E136-S138 PolarHBondContact O-N 3.02Å | ||
| 137 | D | 56.9 | Low | 69.2 | Low | 98 Ų | 98 | 101 Ų | 101 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | trans | -66.9 | 115.9 | 162.9 | -174.4 | -5.4 | 0 | 0 | 0 | 108.3 | Y135 S139 L140 | Y135-D137 PolarHBondContact O-N 3.44Å; D137-S139 PolarHBondContact O-N 3.4Å; D137-S139 PolarHBondContact OD1-N 2.85Å; D137-S139 PolarHBondContact OD1-OG 3.33Å; D137-S139 PolarHBondContact OD2-OG 3.22Å; D137-L140 HydrophobicContact CB-CD1 4.25Å; D137-L140 PolarHBondContact O-N 3.35Å | ||
| 138 | S | 57.6 | Low | 70.3 | Confident | 124 Ų | 124 | 95.6 Ų | 95.6 | 87% | 0.867 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -4 | -173.4 | -56.7 | 0 | 0 | 0 | 0 | 114.2 | E136 | E136-S138 PolarHBondContact O-N 3.02Š|
| 139 | S | 60.6 | Low | 71.5 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.4 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | D137 | D137-S139 PolarHBondContact O-N 3.4Å; D137-S139 PolarHBondContact OD1-N 2.85Å; D137-S139 PolarHBondContact OD1-OG 3.33Å; D137-S139 PolarHBondContact OD2-OG 3.22Å |
| 140 | L | 73.4 | Confident | 73.2 | Confident | 56 Ų | 56 | 85 Ų | 85 | 29% | 0.293 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -103.3 | 146.1 | -174 | -68.4 | 172.4 | 0 | 0 | 0 | 112.7 | D137 S142 L302 Q305 | D137-L140 HydrophobicContact CB-CD1 4.25Å; D137-L140 PolarHBondContact O-N 3.35Å; L140-S142 PolarHBondContact O-N 3.31Å; L140-S142 VanDerWaalsContact O-N 3.13Å; L140-L302 HydrophobicContact CD2-CD2 4.1Å; L140-Q305 HydrophobicContact CB-CG 4.01Å; L140-Q305 HydrophobicContact CD1-CG 3.91Å; L140-Q305 HydrophobicContact CD2-CB 4.37Å; L140-Q305 HydrophobicContact CD2-CG 4.34Å; L140-Q305 HydrophobicContact CG-CG 4.3Å |
| 141 | P | 79.6 | Confident | 75.1 | Confident | 8 Ų | 8 | 80.9 Ų | 80.9 | 5% | 0.052 | 42% | 0.42 | C | S | . | . | trans | -71.3 | 110.9 | -178.9 | 27.8 | -32.6 | 0 | 0 | 0 | 110.8 | L146 L302 V306 | P141-L146 HydrophobicContact CB-CD2 4.11Å; P141-L146 HydrophobicContact CB-CG 4.48Å; P141-L302 HydrophobicContact CG-CD2 4.32Å; P141-V306 HydrophobicContact CG-CG2 3.9Å | ||
| 142 | S | 89.6 | Confident | 77.2 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | trans | -77.2 | 155 | 170 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | L140 N144 A145 L146 | L140-S142 PolarHBondContact O-N 3.31Å; L140-S142 VanDerWaalsContact O-N 3.13Å; S142-N144 PolarHBondContact O-N 3.27Å; S142-A145 WeakPolarHBondContact O-CB 3.43Å; S142-A145 PolarHBondContact O-N 3.36Å; S142-A145 PolarHBondContact OG-N 3.36Å; S142-L146 PolarHBondContact O-N 2.91Å; S142-L146 VanDerWaalsContact O-N 3.12Å | ||
| 143 | I | 92.1 | Very high | 78.9 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -53.3 | -40 | 175.3 | -62.6 | -174.1 | 0 | 0 | 0 | 111.5 | A145 L146 L147 N275 S309 Y313 | I143-A145 VanDerWaalsContact C-N 3.35Å; I143-A145 PolarHBondContact O-N 3.06Å; I143-L146 PolarHBondContact O-N 3.15Å; I143-L147 WeakPolarHBondContact O-CB 3.38Å; I143-L147 PolarHBondContact O-N 2.99Å; I143-N275 HydrophobicContact CG2-CB 3.77Å; I143-S309 WeakPolarHBondContact CD1-O 3.31Å; I143-Y313 HydrophobicContact CD1-CD2 3.89Å; I143-Y313 HydrophobicContact CD1-CG 3.94Å |
| 144 | N | 92.1 | Very high | 80.7 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 178 | -70.9 | -27.9 | 0 | 0 | 0 | 112.1 | S142 L146 L147 Q148 | S142-N144 PolarHBondContact O-N 3.27Å; N144-L146 VanDerWaalsContact C-N 3.34Å; N144-L147 PolarHBondContact O-N 2.89Å; N144-Q148 WeakPolarHBondContact O-CB 3.37Å; N144-Q148 VanDerWaalsContact O-CG 3.23Å; N144-Q148 WeakPolarHBondContact O-CG 3.2Å; N144-Q148 PolarHBondContact O-N 2.97Å |
| 145 | A | 93.4 | Very high | 82 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S142 I143 Q148 A149 | S142-A145 WeakPolarHBondContact O-CB 3.43Å; S142-A145 PolarHBondContact O-N 3.36Å; S142-A145 PolarHBondContact OG-N 3.36Å; I143-A145 VanDerWaalsContact C-N 3.35Å; I143-A145 PolarHBondContact O-N 3.06Å; A145-Q148 PolarHBondContact O-N 3.25Å; A145-A149 PolarHBondContact O-N 2.72Å |
| 146 | L | 96.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177 | -60 | 178.1 | 0 | 0 | 0 | 112.2 | P141 S142 I143 N144 A149 E150 I196 A278 A282 V306 | P141-L146 HydrophobicContact CB-CD2 4.11Å; P141-L146 HydrophobicContact CB-CG 4.48Å; S142-L146 PolarHBondContact O-N 2.91Å; S142-L146 VanDerWaalsContact O-N 3.12Å; I143-L146 PolarHBondContact O-N 3.15Å; N144-L146 VanDerWaalsContact C-N 3.34Å; L146-A149 PolarHBondContact O-N 2.75Å; L146-E150 PolarHBondContact O-N 3.26Å; L146-E150 VanDerWaalsContact O-N 3.13Å; L146-I196 HydrophobicContact CD2-CD1 3.99Å; L146-I196 HydrophobicContact CD2-CG1 4.34Å; L146-I196 HydrophobicContact CD2-CG2 4.43Å; L146-A278 HydrophobicContact CB-CB 4.01Å; L146-A282 HydrophobicContact CD1-CB 3.64Å; L146-A282 HydrophobicContact CD2-CB 3.84Å; L146-A282 HydrophobicContact CG-CB 4.35Å; L146-V306 HydrophobicContact CD1-CG1 4.03Å; L146-V306 HydrophobicContact CD1-CG2 4.2Å |
| 147 | L | 95.6 | Very high | 83.7 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.6 | -179.5 | 66.2 | 0 | 0 | 0 | 111.5 | I143 N144 A149 E150 V151 D274 | I143-L147 WeakPolarHBondContact O-CB 3.38Å; I143-L147 PolarHBondContact O-N 2.99Å; N144-L147 PolarHBondContact O-N 2.89Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 3.2Å; L147-E150 WeakPolarHBondContact O-CB 3.33Å; L147-E150 PolarHBondContact O-N 3.48Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 2.96Å; L147-D274 HydrophobicContact CD1-CB 3.69Å |
| 148 | Q | 95 | Very high | 83.4 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.9 | -71.9 | -61.1 | -43.5 | 0 | 0 | 111.7 | N144 A145 E150 V151 L152 | N144-Q148 WeakPolarHBondContact O-CB 3.37Å; N144-Q148 VanDerWaalsContact O-CG 3.23Å; N144-Q148 WeakPolarHBondContact O-CG 3.2Å; N144-Q148 PolarHBondContact O-N 2.97Å; A145-Q148 PolarHBondContact O-N 3.25Å; Q148-E150 VanDerWaalsContact C-N 3.27Å; Q148-E150 PolarHBondContact O-N 2.91Å; Q148-V151 PolarHBondContact O-N 2.92Å; Q148-L152 VanDerWaalsContact O-CG 3.29Å; Q148-L152 WeakPolarHBondContact O-CG 3.43Å; Q148-L152 PolarHBondContact O-N 3.24Å |
| 149 | A | 96.2 | Very high | 83.1 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A145 L146 L147 S153 I196 | A145-A149 PolarHBondContact O-N 2.72Å; L146-A149 PolarHBondContact O-N 2.75Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 3.2Å; A149-S153 WeakPolarHBondContact O-CB 3.32Å; A149-S153 PolarHBondContact O-N 3.01Å; A149-S153 VanDerWaalsContact O-N 3.07Å; A149-S153 PolarHBondContact O-OG 3.49Å; A149-I196 HydrophobicContact CB-CG1 3.92Å |
| 150 | E | 95.1 | Very high | 82.6 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 176.3 | -173.3 | 59.9 | -155.7 | 0 | 0 | 111.9 | L146 L147 Q148 L152 S153 Q154 Y277 K281 | L146-E150 PolarHBondContact O-N 3.26Å; L146-E150 VanDerWaalsContact O-N 3.13Å; L147-E150 WeakPolarHBondContact O-CB 3.33Å; L147-E150 PolarHBondContact O-N 3.48Å; Q148-E150 VanDerWaalsContact C-N 3.27Å; Q148-E150 PolarHBondContact O-N 2.91Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 3.32Å; E150-S153 PolarHBondContact O-N 3.22Å; E150-S153 PolarHBondContact O-OG 2.88Å; E150-Q154 WeakPolarHBondContact O-CG 3.49Å; E150-Q154 PolarHBondContact O-N 3.43Å; E150-Q154 PolarHBondContact OE1-NE2 3.25Å; E150-Y277 VanDerWaalsContact CD-CE1 3.48Å; E150-Y277 HydrophobicContact CG-CD1 4.4Å; E150-Y277 HydrophobicContact CG-CE1 3.86Å; E150-Y277 WeakPolarHBondContact OE1-CE1 3.44Å; E150-K281 IonicContact OE2-NZ 3.6Å; E150-K281 PolarHBondContact OE2-NZ 3.45Å |
| 151 | V | 93.7 | Very high | 81.3 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 38% | 0.382 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 179.4 | 173 | 0 | 0 | 0 | 0 | 112 | L147 Q148 | L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 2.96Å; Q148-V151 PolarHBondContact O-N 2.92Å |
| 152 | L | 93.9 | Very high | 79.8 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 179.8 | -68.5 | 172.6 | 0 | 0 | 0 | 112 | Q148 E150 Q154 Q155 Y195 | Q148-L152 VanDerWaalsContact O-CG 3.29Å; Q148-L152 WeakPolarHBondContact O-CG 3.43Å; Q148-L152 PolarHBondContact O-N 3.24Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 3.32Å; L152-Q154 VanDerWaalsContact C-N 3.28Å; L152-Q154 PolarHBondContact O-N 2.93Å; L152-Q155 PolarHBondContact O-N 2.92Å; L152-Y195 HydrophobicContact CB-CD2 3.72Å; L152-Y195 HydrophobicContact CB-CE1 4.45Å; L152-Y195 HydrophobicContact CB-CE2 3.6Å; L152-Y195 HydrophobicContact CB-CG 4.21Å; L152-Y195 HydrophobicContact CD1-CD1 3.86Å; L152-Y195 HydrophobicContact CD1-CD2 4.4Å; L152-Y195 HydrophobicContact CD1-CE1 4.09Å; L152-Y195 HydrophobicContact CD1-CG 4.04Å |
| 153 | S | 92.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.8 | -30.8 | -179.3 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | A149 E150 Q155 I156 | A149-S153 WeakPolarHBondContact O-CB 3.32Å; A149-S153 PolarHBondContact O-N 3.01Å; A149-S153 VanDerWaalsContact O-N 3.07Å; A149-S153 PolarHBondContact O-OG 3.49Å; E150-S153 PolarHBondContact O-N 3.22Å; E150-S153 PolarHBondContact O-OG 2.88Å; S153-Q155 VanDerWaalsContact C-N 3.3Å; S153-Q155 PolarHBondContact O-N 3.15Å; S153-I156 PolarHBondContact O-N 3.32Å |
| 154 | Q | 83.1 | Confident | 76 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.8 | -23.5 | 179.6 | -69.1 | 175.3 | 7.6 | 0 | 0 | 113.3 | E150 L152 I156 | E150-Q154 WeakPolarHBondContact O-CG 3.49Å; E150-Q154 PolarHBondContact O-N 3.43Å; E150-Q154 PolarHBondContact OE1-NE2 3.25Å; L152-Q154 VanDerWaalsContact C-N 3.28Å; L152-Q154 PolarHBondContact O-N 2.93Å; Q154-I156 PolarHBondContact O-N 3.14Å |
| 155 | Q | 80.6 | Confident | 74.4 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.8 | -179.6 | -63.8 | 176.8 | 13.6 | 0 | 0 | 113.5 | L152 S153 | L152-Q155 PolarHBondContact O-N 2.92Å; S153-Q155 VanDerWaalsContact C-N 3.3Å; S153-Q155 PolarHBondContact O-N 3.15Å |
| 156 | I | 73.6 | Confident | 73.6 | Confident | 87 Ų | 87 | 70.1 Ų | 70.1 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -27.9 | -177 | -57.2 | 177.3 | 0 | 0 | 0 | 111.2 | S153 Q154 E191 Y195 | S153-I156 PolarHBondContact O-N 3.32Å; Q154-I156 PolarHBondContact O-N 3.14Å; I156-E191 HydrophobicContact CD1-CB 3.4Å; I156-E191 HydrophobicContact CD1-CG 3.65Å; I156-Y195 HydrophobicContact CD1-CE2 4.43Å |
| 157 | T | 66.3 | Low | 73.1 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 13% | 0.129 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -76.8 | 138.4 | 173 | -45.2 | 0 | 0 | 0 | 0 | 107.7 | ||
| 158 | S | 52.2 | Low | 72.3 | Confident | 95 Ų | 95 | 80.6 Ų | 80.6 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | trans | -41.4 | 138.8 | 175.6 | 27.5 | 0 | 0 | 0 | 0 | 110.5 | I160 | S158-I160 PolarHBondContact O-N 2.72Š| ||
| 159 | P | 49.7 | Very low | 71.9 | Confident | 126 Ų | 126 | 79.5 Ų | 79.5 | 82% | 0.818 | 45% | 0.45 | S | S | * | . | trans | -55.2 | 104.1 | -169.5 | 22.3 | -31.9 | 0 | 0 | 0 | 108.1 | S161 | P159-S161 PolarHBondContact O-N 2.84Š| ||
| 160 | I | 51.2 | Low | 71.7 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 35% | 0.354 | 46% | 0.457 | S | S | . | . | trans | -52.1 | 111.5 | 172.2 | -61.8 | 167 | 0 | 0 | 0 | 102.7 | S158 G162 | S158-I160 PolarHBondContact O-N 2.72Å; I160-G162 VanDerWaalsContact C-N 3.33Å; I160-G162 VanDerWaalsContact O-CA 3.29Å; I160-G162 WeakPolarHBondContact O-CA 3.29Å; I160-G162 PolarHBondContact O-N 3.39Å | ||
| 161 | S | 45.8 | Very low | 71.6 | Confident | 91 Ų | 91 | 87.4 Ų | 87.4 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | trans | -50 | 113.2 | 166 | -81.9 | 0 | 0 | 0 | 0 | 103.7 | P159 | P159-S161 PolarHBondContact O-N 2.84Š| ||
| 162 | G | 48.5 | Very low | 71.7 | Confident | 45 Ų | 45 | 88 Ų | 88 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | trans | -48.3 | 165.4 | -150.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I160 N164 G165 | I160-G162 VanDerWaalsContact C-N 3.33Å; I160-G162 VanDerWaalsContact O-CA 3.29Å; I160-G162 WeakPolarHBondContact O-CA 3.29Å; I160-G162 PolarHBondContact O-N 3.39Å; G162-N164 CarbonylContact O-C 3.22Å; G162-N164 WeakPolarHBondContact O-CA 3.35Å; G162-N164 PolarHBondContact O-N 2.87Å; G162-G165 PolarHBondContact O-N 2.9Å | ||
| 163 | I | 54.2 | Low | 71.7 | Confident | 112 Ų | 112 | 85.2 Ų | 85.2 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | -12.1 | 174.7 | -62.3 | 167.5 | 0 | 0 | 0 | 113.4 | V229 F230 | I163-V229 HydrophobicContact CG2-CG2 3.85Å; I163-F230 HydrophobicContact CG2-CZ 4.36Å |
| 164 | N | 48.2 | Very low | 71.8 | Confident | 166 Ų | 166 | 88.1 Ų | 88.1 | 89% | 0.888 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -2.5 | 166.7 | -69.4 | 8 | 0 | 0 | 0 | 117.5 | G162 | G162-N164 CarbonylContact O-C 3.22Å; G162-N164 WeakPolarHBondContact O-CA 3.35Å; G162-N164 PolarHBondContact O-N 2.87Å |
| 165 | G | 57.6 | Low | 72.3 | Confident | 31 Ų | 31 | 84.6 Ų | 84.6 | 32% | 0.32 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -71.3 | 135.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G162 I167 | G162-G165 PolarHBondContact O-N 2.9Å; G165-I167 PolarHBondContact O-N 2.89Å |
| 166 | D | 76.4 | Confident | 72.9 | Confident | 95 Ų | 95 | 81.6 Ų | 81.6 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | trans | -58 | 111.2 | 177.1 | -174.1 | -0.4 | 0 | 0 | 0 | 109.7 | R168 A169 | D166-R168 PolarHBondContact O-N 2.96Å; D166-R168 VanDerWaalsContact OD1-CB 3.25Å; D166-R168 WeakPolarHBondContact OD1-CB 3.49Å; D166-R168 VanDerWaalsContact OD1-CG 3.27Å; D166-R168 WeakPolarHBondContact OD1-CG 3.32Å; D166-R168 PolarHBondContact OD1-N 2.96Å; D166-A169 WeakPolarHBondContact O-CB 3.46Å; D166-A169 PolarHBondContact O-N 3.49Å | ||
| 167 | I | 85.1 | Confident | 73.9 | Confident | 34 Ų | 34 | 78.3 Ų | 78.3 | 17% | 0.174 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -56.9 | -23.9 | 179.1 | -170.5 | 155.7 | 0 | 0 | 0 | 111.9 | G165 A169 K170 F230 V233 I241 | G165-I167 PolarHBondContact O-N 2.89Å; I167-A169 PolarHBondContact O-N 2.86Å; I167-K170 HydrophobicContact CG1-CD 4.43Å; I167-K170 WeakPolarHBondContact O-CB 3.45Å; I167-K170 PolarHBondContact O-N 3.44Å; I167-F230 HydrophobicContact CB-CD1 4.2Å; I167-F230 HydrophobicContact CB-CE1 4.09Å; I167-F230 HydrophobicContact CD1-CB 3.84Å; I167-F230 HydrophobicContact CD1-CD1 3.35Å; I167-F230 HydrophobicContact CD1-CD2 3.69Å; I167-F230 HydrophobicContact CD1-CE1 3.73Å; I167-F230 HydrophobicContact CD1-CE2 4.06Å; I167-F230 HydrophobicContact CD1-CG 3.33Å; I167-F230 HydrophobicContact CD1-CZ 4.06Å; I167-F230 HydrophobicContact CG1-CD1 4.37Å; I167-F230 HydrophobicContact CG1-CE1 4.46Å; I167-F230 HydrophobicContact CG2-CD1 4.37Å; I167-V233 HydrophobicContact CD1-CB 4.44Å; I167-V233 HydrophobicContact CD1-CG1 3.41Å; I167-V233 VanDerWaalsContact CD1-CG1 3.41Å; I167-V233 HydrophobicContact CD1-CG2 4.15Å; I167-V233 HydrophobicContact CG1-CG1 4.43Å; I167-I241 HydrophobicContact CD1-CG2 4.24Å; I167-I241 HydrophobicContact CG1-CG2 3.96Å |
| 168 | R | 80.1 | Confident | 75.2 | Confident | 221 Ų | 221 | 78.2 Ų | 78.2 | 83% | 0.834 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -69.6 | -19.5 | 176.3 | -57.7 | 173.5 | -178.3 | 178 | 2.2 | 113.3 | D166 K170 | D166-R168 PolarHBondContact O-N 2.96Å; D166-R168 VanDerWaalsContact OD1-CB 3.25Å; D166-R168 WeakPolarHBondContact OD1-CB 3.49Å; D166-R168 VanDerWaalsContact OD1-CG 3.27Å; D166-R168 WeakPolarHBondContact OD1-CG 3.32Å; D166-R168 PolarHBondContact OD1-N 2.96Å; R168-K170 VanDerWaalsContact C-N 3.35Å |
| 169 | A | 87.1 | Confident | 77.3 | Confident | 84 Ų | 84 | 74.3 Ų | 74.3 | 69% | 0.694 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -84.8 | -10.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D166 I167 | D166-A169 WeakPolarHBondContact O-CB 3.46Å; D166-A169 PolarHBondContact O-N 3.49Å; I167-A169 PolarHBondContact O-N 2.86Å |
| 170 | K | 90.3 | Very high | 79.4 | Confident | 35 Ų | 35 | 73 Ų | 73 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -78 | 146.1 | 179.7 | -62.9 | -175.9 | -178.6 | -78.3 | 0 | 110.8 | I167 R168 L235 D239 I241 | I167-K170 HydrophobicContact CG1-CD 4.43Å; I167-K170 WeakPolarHBondContact O-CB 3.45Å; I167-K170 PolarHBondContact O-N 3.44Å; R168-K170 VanDerWaalsContact C-N 3.35Å; K170-L235 HydrophobicContact CD-CD1 3.55Å; K170-D239 WeakPolarHBondContact CD-O 3.45Å; K170-D239 IonicContact NZ-OD1 3.87Å; K170-D239 PolarHBondContact NZ-OD1 2.97Å; K170-D239 IonicContact NZ-OD2 3.36Å; K170-D239 PolarHBondContact NZ-OD2 3.31Å; K170-I241 HydrophobicContact CB-CD1 4.48Å; K170-I241 HydrophobicContact CB-CG1 4.24Å; K170-I241 HydrophobicContact CB-CG2 3.68Å; K170-I241 HydrophobicContact CD-CG2 3.8Å; K170-I241 HydrophobicContact CG-CG2 4.36Å |
| 171 | K | 94.1 | Very high | 81.5 | Confident | 149 Ų | 149 | 70 Ų | 70 | 65% | 0.648 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 147.4 | -178.8 | -66.6 | -179.6 | -178.6 | 177.2 | 0 | 111 | Y240 I241 | K171-Y240 HydrophobicContact CB-CD1 3.68Å; K171-Y240 HydrophobicContact CB-CE1 3.62Å; K171-Y240 HydrophobicContact CD-CE1 4.12Å; K171-Y240 WeakPolarHBondContact O-CA 3.36Å; K171-Y240 WeakPolarHBondContact O-CD1 3.14Å; K171-I241 WeakPolarHBondContact O-CG1 3.38Å; K171-I241 PolarHBondContact O-N 2.97Å |
| 172 | I | 94.9 | Very high | 84 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 134.6 | 172.8 | -59.7 | 176.5 | 0 | 0 | 0 | 108.9 | I241 P243 | I172-I241 WeakPolarHBondContact CA-O 3.47Å; I172-P243 HydrophobicContact CD1-CG 4.39Å; I172-P243 HydrophobicContact CG1-CG 4.24Å |
| 173 | A | 95.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 135.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D177 V178 L236 Y240 I241 V242 | A173-D177 HydrophobicContact CB-CB 4.06Å; A173-V178 HydrophobicContact CB-CG2 4.23Å; A173-L236 HydrophobicContact CB-CD1 3.61Å; A173-Y240 HydrophobicContact CB-CD1 4.5Å; A173-Y240 HydrophobicContact CB-CG 4.4Å; A173-I241 PolarHBondContact N-O 3.17Å; A173-V242 HydrophobicContact CB-CG2 3.93Å |
| 174 | N | 93.8 | Very high | 88.2 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | trans | -91.8 | 178.7 | 161.1 | 69.2 | 63.4 | 0 | 0 | 0 | 111 | T176 D177 V178 | N174-T176 VanDerWaalsContact C-N 3.27Å; N174-T176 PolarHBondContact O-N 3.13Å; N174-T176 WeakPolarHBondContact OD1-CA 3.24Å; N174-T176 WeakPolarHBondContact OD1-CB 3.32Å; N174-T176 PolarHBondContact OD1-N 3.45Å; N174-T176 PolarHBondContact OD1-OG1 2.95Å; N174-D177 PolarHBondContact N-OD2 3.44Å; N174-D177 PolarHBondContact ND2-OD2 3.19Å; N174-D177 PolarHBondContact O-N 3.15Å; N174-D177 PolarHBondContact OD1-N 3.4Å; N174-V178 WeakPolarHBondContact O-CG2 3.35Å; N174-V178 PolarHBondContact O-N 2.92Å; N174-V178 VanDerWaalsContact O-N 3.12Å | ||
| 175 | I | 92.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -37.8 | -177.8 | -61.3 | 174.1 | 0 | 0 | 0 | 112.3 | V178 C179 L249 I349 A355 | I175-V178 PolarHBondContact O-N 2.94Å; I175-C179 PolarHBondContact O-N 3.08Å; I175-C179 PolarHBondContact O-SG 2.97Å; I175-C179 VanDerWaalsContact O-SG 3.4Å; I175-L249 HydrophobicContact CG1-CD2 3.88Å; I175-I349 HydrophobicContact CD1-CD1 4.5Å; I175-I349 HydrophobicContact CG2-CD1 3.89Å; I175-I349 HydrophobicContact CG2-CG1 4.5Å; I175-I349 HydrophobicContact CG2-CG2 3.93Å; I175-A355 HydrophobicContact CG2-CB 3.85Å |
| 176 | T | 93.1 | Very high | 92.3 | Very high | 83 Ų | 83 | 58 Ų | 58 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 179.9 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | N174 V178 C179 E180 | N174-T176 VanDerWaalsContact C-N 3.27Å; N174-T176 PolarHBondContact O-N 3.13Å; N174-T176 WeakPolarHBondContact OD1-CA 3.24Å; N174-T176 WeakPolarHBondContact OD1-CB 3.32Å; N174-T176 PolarHBondContact OD1-N 3.45Å; N174-T176 PolarHBondContact OD1-OG1 2.95Å; T176-V178 VanDerWaalsContact C-N 3.27Å; T176-V178 PolarHBondContact O-N 3.31Å; T176-C179 PolarHBondContact O-N 3.23Å; T176-E180 WeakPolarHBondContact O-CB 3.17Å; T176-E180 PolarHBondContact O-N 3.37Å |
| 177 | D | 94.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 177.7 | -51.9 | -40.4 | 0 | 0 | 0 | 111 | A173 N174 S181 N238 Y240 | A173-D177 HydrophobicContact CB-CB 4.06Å; N174-D177 PolarHBondContact N-OD2 3.44Å; N174-D177 PolarHBondContact ND2-OD2 3.19Å; N174-D177 PolarHBondContact O-N 3.15Å; N174-D177 PolarHBondContact OD1-N 3.4Å; D177-S181 WeakPolarHBondContact O-CB 3.37Å; D177-S181 PolarHBondContact O-N 3.43Å; D177-N238 PolarHBondContact O-ND2 3.19Å; D177-Y240 HydrophobicContact CB-CD1 4.44Å; D177-Y240 HydrophobicContact CB-CD2 4.21Å; D177-Y240 HydrophobicContact CB-CE2 4.44Å; D177-Y240 HydrophobicContact CB-CG 4.2Å |
| 178 | V | 94.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -51.1 | 173.6 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | A173 N174 I175 T176 E180 S181 M182 L236 V242 L249 | A173-V178 HydrophobicContact CB-CG2 4.23Å; N174-V178 WeakPolarHBondContact O-CG2 3.35Å; N174-V178 PolarHBondContact O-N 2.92Å; N174-V178 VanDerWaalsContact O-N 3.12Å; I175-V178 PolarHBondContact O-N 2.94Å; T176-V178 VanDerWaalsContact C-N 3.27Å; T176-V178 PolarHBondContact O-N 3.31Å; V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 3.34Å; V178-S181 PolarHBondContact O-N 3.08Å; V178-M182 HydrophobicContact CG1-CG 4.49Å; V178-M182 HydrophobicContact CG1-SD 4.2Å; V178-M182 VanDerWaalsContact O-CG 3.28Å; V178-M182 WeakPolarHBondContact O-CG 3.42Å; V178-M182 PolarHBondContact O-N 3.17Å; V178-L236 HydrophobicContact CG2-CD1 3.9Å; V178-V242 HydrophobicContact CG2-CG2 4.47Å; V178-L249 HydrophobicContact CG2-CD2 4.08Å |
| 179 | C | 95.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.081 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 179.5 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | I175 T176 M182 K183 L361 | I175-C179 PolarHBondContact O-N 3.08Å; I175-C179 PolarHBondContact O-SG 2.97Å; I175-C179 VanDerWaalsContact O-SG 3.4Å; T176-C179 PolarHBondContact O-N 3.23Å; C179-M182 PolarHBondContact O-N 3.41Å; C179-K183 PolarHBondContact O-N 2.85Å; C179-K183 VanDerWaalsContact O-N 3.1Å; C179-L361 HydrophobicContact CB-CD2 4.33Å |
| 180 | E | 94.8 | Very high | 95.1 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 174.2 | -176.1 | 172.5 | -131.7 | 0 | 0 | 111 | T176 V178 M182 K183 E184 | T176-E180 WeakPolarHBondContact O-CB 3.17Å; T176-E180 PolarHBondContact O-N 3.37Å; V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 3.34Å; E180-M182 VanDerWaalsContact C-N 3.32Å; E180-M182 PolarHBondContact O-N 3.34Å; E180-K183 WeakPolarHBondContact O-CB 3.34Å; E180-K183 PolarHBondContact O-N 3.47Å; E180-K183 VanDerWaalsContact O-N 3.08Å; E180-E184 PolarHBondContact O-N 2.92Å; E180-E184 VanDerWaalsContact O-N 3.08Å |
| 181 | S | 95.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 176.2 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | D177 V178 K183 E184 Q185 G237 N238 | D177-S181 WeakPolarHBondContact O-CB 3.37Å; D177-S181 PolarHBondContact O-N 3.43Å; V178-S181 PolarHBondContact O-N 3.08Å; S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.12Å; S181-E184 PolarHBondContact O-N 3.18Å; S181-Q185 WeakPolarHBondContact O-CB 3.39Å; S181-Q185 WeakPolarHBondContact O-CG 3.29Å; S181-Q185 PolarHBondContact O-N 3.39Å; S181-G237 WeakPolarHBondContact OG-CA 3.46Å; S181-G237 PolarHBondContact OG-N 3.17Å; S181-N238 WeakPolarHBondContact CB-OD1 3.33Å |
| 182 | M | 96.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 7% | 0.069 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -40.6 | 176.3 | -69.2 | 178.3 | 80.9 | 0 | 0 | 111.4 | V178 C179 E180 Q185 L186 L219 M342 I346 L361 L365 | V178-M182 HydrophobicContact CG1-CG 4.49Å; V178-M182 HydrophobicContact CG1-SD 4.2Å; V178-M182 VanDerWaalsContact O-CG 3.28Å; V178-M182 WeakPolarHBondContact O-CG 3.42Å; V178-M182 PolarHBondContact O-N 3.17Å; C179-M182 PolarHBondContact O-N 3.41Å; E180-M182 VanDerWaalsContact C-N 3.32Å; E180-M182 PolarHBondContact O-N 3.34Å; M182-Q185 PolarHBondContact O-N 3.49Å; M182-L186 VanDerWaalsContact O-CG 3.29Å; M182-L186 WeakPolarHBondContact O-CG 3.21Å; M182-L186 PolarHBondContact O-N 2.98Å; M182-L219 HydrophobicContact CB-CD1 3.99Å; M182-L219 HydrophobicContact CE-CD1 3.42Å; M182-L219 VanDerWaalsContact CE-CD1 3.42Å; M182-L219 HydrophobicContact CG-CD1 4.08Å; M182-M342 HydrophobicContact CE-CE 3.71Å; M182-M342 HydrophobicContact CE-SD 3.62Å; M182-M342 HydrophobicContact SD-SD 4.44Å; M182-I346 HydrophobicContact CE-CD1 3.47Å; M182-I346 VanDerWaalsContact CE-CD1 3.47Å; M182-I346 HydrophobicContact SD-CD1 3.73Å; M182-L361 HydrophobicContact CB-CD2 4.1Å; M182-L361 HydrophobicContact CB-CG 4.44Å; M182-L365 HydrophobicContact CE-CD1 3.53Å |
| 183 | K | 95.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 35 Ų | 35 | 33% | 0.326 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.3 | -50 | 178.3 | -176.2 | -172.2 | 172.7 | 170.9 | 0 | 111.4 | C179 E180 S181 Q185 L186 L187 D358 L360 L361 | C179-K183 PolarHBondContact O-N 2.85Å; C179-K183 VanDerWaalsContact O-N 3.1Å; E180-K183 WeakPolarHBondContact O-CB 3.34Å; E180-K183 PolarHBondContact O-N 3.47Å; E180-K183 VanDerWaalsContact O-N 3.08Å; S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.12Å; K183-Q185 VanDerWaalsContact C-N 3.31Å; K183-Q185 PolarHBondContact O-N 3.41Å; K183-L186 PolarHBondContact O-N 3.45Å; K183-L187 PolarHBondContact O-N 3.05Å; K183-D358 HydrophobicContact CD-CB 3.97Å; K183-D358 VanDerWaalsContact CE-CG 3.47Å; K183-D358 WeakPolarHBondContact CE-OD1 2.96Å; K183-D358 VanDerWaalsContact CE-OD2 3.28Å; K183-D358 WeakPolarHBondContact CE-OD2 3.46Å; K183-D358 HydrophobicContact CG-CB 4.43Å; K183-D358 IonicContact NZ-OD1 2.87Å; K183-D358 IonicContact NZ-OD2 2.7Å; K183-D358 PolarHBondContact NZ-OD2 2.74Å; K183-L360 HydrophobicContact CG-CD2 4.34Å; K183-L361 HydrophobicContact CB-CD1 3.45Å; K183-L361 VanDerWaalsContact CB-CD1 3.45Å; K183-L361 HydrophobicContact CG-CD1 4.04Å |
| 184 | E | 95.4 | Very high | 95.8 | Very high | 69 Ų | 69 | 39.7 Ų | 39.7 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 178.6 | -67.6 | 177.1 | 169.1 | 0 | 0 | 111.1 | E180 S181 L186 L187 V188 | E180-E184 PolarHBondContact O-N 2.92Å; E180-E184 VanDerWaalsContact O-N 3.08Å; S181-E184 PolarHBondContact O-N 3.18Å; E184-L186 VanDerWaalsContact C-N 3.34Å; E184-L186 PolarHBondContact O-N 3.3Å; E184-L187 WeakPolarHBondContact O-CB 3.4Å; E184-L187 PolarHBondContact O-N 3.23Å; E184-V188 WeakPolarHBondContact O-CG2 3.43Å; E184-V188 PolarHBondContact O-N 3.12Å |
| 185 | Q | 96.3 | Very high | 95.9 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.2 | -27.1 | -178.7 | -64.4 | -60.6 | -80 | 0 | 0 | 113.1 | S181 M182 K183 V188 L189 L219 | S181-Q185 WeakPolarHBondContact O-CB 3.39Å; S181-Q185 WeakPolarHBondContact O-CG 3.29Å; S181-Q185 PolarHBondContact O-N 3.39Å; M182-Q185 PolarHBondContact O-N 3.49Å; K183-Q185 VanDerWaalsContact C-N 3.31Å; K183-Q185 PolarHBondContact O-N 3.41Å; Q185-V188 PolarHBondContact O-N 2.92Å; Q185-L189 PolarHBondContact O-N 2.92Å; Q185-L219 HydrophobicContact CB-CD2 3.4Å; Q185-L219 VanDerWaalsContact CB-CD2 3.4Å |
| 186 | L | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -37.5 | 169.4 | -73.7 | 175.6 | 0 | 0 | 0 | 112 | M182 K183 E184 V188 L189 V190 A215 L219 L360 L361 M364 L365 | M182-L186 VanDerWaalsContact O-CG 3.29Å; M182-L186 WeakPolarHBondContact O-CG 3.21Å; M182-L186 PolarHBondContact O-N 2.98Å; K183-L186 PolarHBondContact O-N 3.45Å; E184-L186 VanDerWaalsContact C-N 3.34Å; E184-L186 PolarHBondContact O-N 3.3Å; L186-V188 VanDerWaalsContact C-N 3.35Å; L186-L189 HydrophobicContact CD2-CD2 4.48Å; L186-L189 WeakPolarHBondContact O-CB 3.44Å; L186-L189 PolarHBondContact O-N 3.26Å; L186-V190 WeakPolarHBondContact O-CG2 3.33Å; L186-V190 PolarHBondContact O-N 3.4Å; L186-V190 VanDerWaalsContact O-N 3.15Å; L186-A215 HydrophobicContact CD2-CB 3.84Å; L186-L219 HydrophobicContact CD2-CD1 4Å; L186-L219 HydrophobicContact CD2-CD2 4.18Å; L186-L219 HydrophobicContact CD2-CG 4.09Å; L186-L219 HydrophobicContact CG-CD1 4.12Å; L186-L219 HydrophobicContact CG-CD2 4.17Å; L186-L219 HydrophobicContact CG-CG 4.45Å; L186-L360 HydrophobicContact CB-CD2 3.88Å; L186-L360 HydrophobicContact CB-CG 4.33Å; L186-L360 HydrophobicContact CD1-CG 4.27Å; L186-L361 HydrophobicContact CD1-CD1 4.07Å; L186-L361 HydrophobicContact CD1-CG 4.18Å; L186-M364 HydrophobicContact CB-SD 4.11Å; L186-M364 HydrophobicContact CD1-CB 4.1Å; L186-M364 HydrophobicContact CD1-SD 4.25Å; L186-M364 HydrophobicContact CD2-CB 4.34Å; L186-M364 HydrophobicContact CD2-CE 4.04Å; L186-M364 HydrophobicContact CD2-SD 4.15Å; L186-M364 HydrophobicContact CG-SD 4.4Å; L186-L365 HydrophobicContact CD1-CD1 4.06Å; L186-L365 HydrophobicContact CD1-CG 4.38Å |
| 187 | L | 95.9 | Very high | 96.1 | Very high | 91 Ų | 91 | 39.4 Ų | 39.4 | 48% | 0.476 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 173.2 | -65.3 | 171.7 | 0 | 0 | 0 | 111.3 | K183 E184 L189 V190 E191 L360 | K183-L187 PolarHBondContact O-N 3.05Å; E184-L187 WeakPolarHBondContact O-CB 3.4Å; E184-L187 PolarHBondContact O-N 3.23Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 2.97Å; L187-V190 PolarHBondContact O-N 2.66Å; L187-E191 PolarHBondContact O-N 3.03Å; L187-E191 VanDerWaalsContact O-N 3.1Å; L187-L360 HydrophobicContact CD2-CD2 3.63Å; L187-L360 HydrophobicContact CG-CD2 3.77Å |
| 188 | V | 96.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -38 | 173.6 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | E184 Q185 L186 E191 W192 | E184-V188 WeakPolarHBondContact O-CG2 3.43Å; E184-V188 PolarHBondContact O-N 3.12Å; Q185-V188 PolarHBondContact O-N 2.92Å; L186-V188 VanDerWaalsContact C-N 3.35Å; V188-E191 PolarHBondContact O-N 3.13Å; V188-W192 WeakPolarHBondContact O-CB 3.49Å; V188-W192 PolarHBondContact O-N 3.36Å |
| 189 | L | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.1 | 177.3 | 63.7 | 0 | 0 | 0 | 112.1 | Q185 L186 L187 W192 A193 L211 H218 M364 | Q185-L189 PolarHBondContact O-N 2.92Å; L186-L189 HydrophobicContact CD2-CD2 4.48Å; L186-L189 WeakPolarHBondContact O-CB 3.44Å; L186-L189 PolarHBondContact O-N 3.26Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 2.97Å; L189-W192 HydrophobicContact CD1-CE3 3.7Å; L189-W192 HydrophobicContact CD1-CZ3 3.99Å; L189-W192 PolarHBondContact O-N 3.45Å; L189-A193 PolarHBondContact O-N 2.98Å; L189-L211 HydrophobicContact CG-CD2 4.22Å; L189-H218 HydrophobicContact CD1-CB 3.99Å; L189-H218 HydrophobicContact CD2-CB 3.83Å; L189-M364 HydrophobicContact CD2-CE 4.41Å |
| 190 | V | 97.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | L186 L187 A193 K194 L211 | L186-V190 WeakPolarHBondContact O-CG2 3.33Å; L186-V190 PolarHBondContact O-N 3.4Å; L186-V190 VanDerWaalsContact O-N 3.15Å; L187-V190 PolarHBondContact O-N 2.66Å; V190-A193 PolarHBondContact O-N 3Å; V190-K194 HydrophobicContact CG1-CD 4.11Å; V190-K194 WeakPolarHBondContact O-CG 3.27Å; V190-K194 PolarHBondContact O-N 3.23Å; V190-K194 VanDerWaalsContact O-N 3.17Å; V190-L211 HydrophobicContact CG2-CD1 4.26Å; V190-L211 HydrophobicContact CG2-CD2 4.09Å |
| 191 | E | 96.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 27% | 0.266 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.1 | -39.1 | 178.9 | -67.7 | -58.8 | 139 | 0 | 0 | 112.5 | I156 L187 V188 A193 K194 Y195 | I156-E191 HydrophobicContact CD1-CB 3.4Å; I156-E191 HydrophobicContact CD1-CG 3.65Å; L187-E191 PolarHBondContact O-N 3.03Å; L187-E191 VanDerWaalsContact O-N 3.1Å; V188-E191 PolarHBondContact O-N 3.13Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.09Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-K194 IonicContact OE1-NZ 2.79Å; E191-K194 PolarHBondContact OE1-NZ 3.26Å; E191-K194 IonicContact OE2-NZ 2.73Å; E191-K194 PolarHBondContact OE2-NZ 3.49Å; E191-Y195 WeakPolarHBondContact O-CD2 3.48Å; E191-Y195 PolarHBondContact O-N 3.48Å |
| 192 | W | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.1 | -47.3 | 171.5 | 168.9 | 82.4 | 0 | 0 | 0 | 111.9 | V188 L189 K194 Y195 I196 K281 F285 | V188-W192 WeakPolarHBondContact O-CB 3.49Å; V188-W192 PolarHBondContact O-N 3.36Å; L189-W192 HydrophobicContact CD1-CE3 3.7Å; L189-W192 HydrophobicContact CD1-CZ3 3.99Å; L189-W192 PolarHBondContact O-N 3.45Å; W192-K194 VanDerWaalsContact C-N 3.3Å; W192-K194 PolarHBondContact O-N 2.98Å; W192-Y195 PolarHBondContact O-N 3.28Å; W192-Y195 VanDerWaalsContact O-N 3.14Å; W192-I196 HydrophobicContact CD2-CD1 4.17Å; W192-I196 HydrophobicContact CE3-CD1 4.32Å; W192-I196 HydrophobicContact CH2-CD1 3.77Å; W192-I196 HydrophobicContact CZ2-CD1 3.57Å; W192-I196 HydrophobicContact CZ3-CD1 4.14Å; W192-K281 HydrophobicContact CH2-CD 4.5Å; W192-K281 HydrophobicContact CH2-CG 3.91Å; W192-K281 HydrophobicContact CZ2-CB 4.23Å; W192-K281 HydrophobicContact CZ2-CD 3.97Å; W192-K281 HydrophobicContact CZ2-CG 3.74Å; W192-F285 HydrophobicContact CH2-CB 3.8Å; W192-F285 HydrophobicContact CH2-CD1 4.12Å; W192-F285 HydrophobicContact CH2-CD2 4.44Å; W192-F285 AromaticContact CH2-CG 3.88Å; W192-F285 HydrophobicContact CH2-CG 3.88Å; W192-F285 HydrophobicContact CZ3-CB 3.97Å; W192-F285 AromaticContact CZ3-CD1 3.88Å; W192-F285 HydrophobicContact CZ3-CD1 3.88Å; W192-F285 AromaticContact CZ3-CD2 3.74Å; W192-F285 HydrophobicContact CZ3-CD2 3.74Å; W192-F285 HydrophobicContact CZ3-CE1 4.27Å; W192-F285 HydrophobicContact CZ3-CE2 4.15Å; W192-F285 AromaticContact CZ3-CG 3.59Å; W192-F285 HydrophobicContact CZ3-CG 3.59Å; W192-F285 HydrophobicContact CZ3-CZ 4.39Å |
| 193 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L189 V190 E191 Y195 I196 F199 L211 F285 | L189-A193 PolarHBondContact O-N 2.98Å; V190-A193 PolarHBondContact O-N 3Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.09Å; A193-Y195 PolarHBondContact O-N 2.92Å; A193-I196 WeakPolarHBondContact O-CB 3.21Å; A193-I196 PolarHBondContact O-N 3.41Å; A193-F199 VanDerWaalsContact C-CD1 3.42Å; A193-F199 HydrophobicContact CB-CD1 3.83Å; A193-F199 HydrophobicContact CB-CD2 4.3Å; A193-F199 HydrophobicContact CB-CE1 3.67Å; A193-F199 HydrophobicContact CB-CE2 4.14Å; A193-F199 HydrophobicContact CB-CG 4.12Å; A193-F199 HydrophobicContact CB-CZ 3.82Å; A193-F199 WeakPolarHBondContact O-CD1 3.34Å; A193-L211 HydrophobicContact CB-CD2 4.15Å; A193-F285 HydrophobicContact CB-CE1 4.15Å; A193-F285 HydrophobicContact CB-CE2 4.31Å; A193-F285 HydrophobicContact CB-CZ 3.63Å |
| 194 | K | 96.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -18.4 | 177.7 | -69.8 | 164.8 | 69.7 | -150.7 | 0 | 114 | V190 E191 W192 I196 F199 C200 | V190-K194 HydrophobicContact CG1-CD 4.11Å; V190-K194 WeakPolarHBondContact O-CG 3.27Å; V190-K194 PolarHBondContact O-N 3.23Å; V190-K194 VanDerWaalsContact O-N 3.17Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-K194 IonicContact OE1-NZ 2.79Å; E191-K194 PolarHBondContact OE1-NZ 3.26Å; E191-K194 IonicContact OE2-NZ 2.73Å; E191-K194 PolarHBondContact OE2-NZ 3.49Å; W192-K194 VanDerWaalsContact C-N 3.3Å; W192-K194 PolarHBondContact O-N 2.98Å; K194-I196 VanDerWaalsContact C-N 3.32Å; K194-F199 HydrophobicContact CG-CE1 4.37Å; K194-C200 PolarHBondContact O-SG 3.18Å |
| 195 | Y | 96.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 51.9 Ų | 51.9 | 37% | 0.373 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.7 | 172.5 | -67.7 | -54.5 | 0 | 0 | 0 | 113.8 | L152 I156 E191 W192 A193 P197 | L152-Y195 HydrophobicContact CB-CD2 3.72Å; L152-Y195 HydrophobicContact CB-CE1 4.45Å; L152-Y195 HydrophobicContact CB-CE2 3.6Å; L152-Y195 HydrophobicContact CB-CG 4.21Å; L152-Y195 HydrophobicContact CD1-CD1 3.86Å; L152-Y195 HydrophobicContact CD1-CD2 4.4Å; L152-Y195 HydrophobicContact CD1-CE1 4.09Å; L152-Y195 HydrophobicContact CD1-CG 4.04Å; I156-Y195 HydrophobicContact CD1-CE2 4.43Å; E191-Y195 WeakPolarHBondContact O-CD2 3.48Å; E191-Y195 PolarHBondContact O-N 3.48Å; W192-Y195 PolarHBondContact O-N 3.28Å; W192-Y195 VanDerWaalsContact O-N 3.14Å; A193-Y195 PolarHBondContact O-N 2.92Å; Y195-P197 WeakPolarHBondContact O-CD 3.34Å |
| 196 | I | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -98.5 | 111.4 | 177.3 | -57 | 173.6 | 0 | 0 | 0 | 109.1 | L146 A149 W192 A193 K194 A198 F199 C200 F286 | L146-I196 HydrophobicContact CD2-CD1 3.99Å; L146-I196 HydrophobicContact CD2-CG1 4.34Å; L146-I196 HydrophobicContact CD2-CG2 4.43Å; A149-I196 HydrophobicContact CB-CG1 3.92Å; W192-I196 HydrophobicContact CD2-CD1 4.17Å; W192-I196 HydrophobicContact CE3-CD1 4.32Å; W192-I196 HydrophobicContact CH2-CD1 3.77Å; W192-I196 HydrophobicContact CZ2-CD1 3.57Å; W192-I196 HydrophobicContact CZ3-CD1 4.14Å; A193-I196 WeakPolarHBondContact O-CB 3.21Å; A193-I196 PolarHBondContact O-N 3.41Å; K194-I196 VanDerWaalsContact C-N 3.32Å; I196-A198 VanDerWaalsContact C-N 3.31Å; I196-A198 HydrophobicContact CG2-CB 4.42Å; I196-A198 PolarHBondContact O-N 2.86Å; I196-F199 HydrophobicContact CB-CB 4.19Å; I196-F199 HydrophobicContact CG2-CB 4.45Å; I196-F199 WeakPolarHBondContact O-CB 3.34Å; I196-F199 PolarHBondContact O-N 3.05Å; I196-C200 PolarHBondContact O-N 3.21Å; I196-F286 HydrophobicContact CG2-CZ 4.1Å | ||
| 197 | P | 93.6 | Very high | 96.7 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.4 | -43.1 | -175.8 | -28.3 | 35.9 | 0 | 0 | 0 | 113.8 | Y195 F199 C200 E201 | Y195-P197 WeakPolarHBondContact O-CD 3.34Å; P197-F199 PolarHBondContact O-N 2.98Å; P197-C200 PolarHBondContact O-N 3.36Å; P197-C200 VanDerWaalsContact O-N 3.09Å; P197-E201 PolarHBondContact O-N 3.42Å |
| 198 | A | 94.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -28 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I196 L202 L302 | I196-A198 VanDerWaalsContact C-N 3.31Å; I196-A198 HydrophobicContact CG2-CB 4.42Å; I196-A198 PolarHBondContact O-N 2.86Å; A198-L202 WeakPolarHBondContact O-CG 3.42Å; A198-L302 HydrophobicContact CB-CD1 4.3Å; A198-L302 HydrophobicContact CB-CD2 3.89Å |
| 199 | F | 96.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -75.9 | -43.2 | 174.6 | 169.5 | -98.1 | 0 | 0 | 0 | 111.5 | A193 K194 I196 P197 E201 L202 Q207 L211 F285 | A193-F199 VanDerWaalsContact C-CD1 3.42Å; A193-F199 HydrophobicContact CB-CD1 3.83Å; A193-F199 HydrophobicContact CB-CD2 4.3Å; A193-F199 HydrophobicContact CB-CE1 3.67Å; A193-F199 HydrophobicContact CB-CE2 4.14Å; A193-F199 HydrophobicContact CB-CG 4.12Å; A193-F199 HydrophobicContact CB-CZ 3.82Å; A193-F199 WeakPolarHBondContact O-CD1 3.34Å; K194-F199 HydrophobicContact CG-CE1 4.37Å; I196-F199 HydrophobicContact CB-CB 4.19Å; I196-F199 HydrophobicContact CG2-CB 4.45Å; I196-F199 WeakPolarHBondContact O-CB 3.34Å; I196-F199 PolarHBondContact O-N 3.05Å; P197-F199 PolarHBondContact O-N 2.98Å; F199-E201 PolarHBondContact O-N 3.3Å; F199-L202 HydrophobicContact CD2-CD1 4.29Å; F199-L202 VanDerWaalsContact O-CB 3.3Å; F199-L202 WeakPolarHBondContact O-CB 3.42Å; F199-L202 WeakPolarHBondContact O-CG 3.43Å; F199-L202 PolarHBondContact O-N 2.89Å; F199-Q207 HydrophobicContact CD2-CB 4.47Å; F199-Q207 HydrophobicContact CD2-CG 4.08Å; F199-Q207 HydrophobicContact CE1-CB 4.36Å; F199-Q207 HydrophobicContact CE1-CG 4.08Å; F199-Q207 HydrophobicContact CE2-CB 3.56Å; F199-Q207 HydrophobicContact CE2-CG 3.62Å; F199-Q207 HydrophobicContact CZ-CB 3.5Å; F199-Q207 VanDerWaalsContact CZ-CB 3.5Å; F199-Q207 HydrophobicContact CZ-CG 3.62Å; F199-Q207 PolarHBondContact O-NE2 2.79Å; F199-L211 HydrophobicContact CE2-CG 4.37Å; F199-L211 HydrophobicContact CZ-CD1 3.93Å; F199-L211 HydrophobicContact CZ-CG 4.19Å; F199-F285 AromaticContact CD2-CE1 3.53Å; F199-F285 HydrophobicContact CD2-CE1 3.53Å; F199-F285 AromaticContact CD2-CZ 3.63Å; F199-F285 HydrophobicContact CD2-CZ 3.63Å; F199-F285 AromaticContact CE2-CE1 3.99Å; F199-F285 HydrophobicContact CE2-CE1 3.99Å; F199-F285 AromaticContact CE2-CZ 3.57Å; F199-F285 HydrophobicContact CE2-CZ 3.57Å; F199-F285 HydrophobicContact CG-CE1 4.22Å; F199-F285 HydrophobicContact CG-CZ 4.48Å; F199-F285 HydrophobicContact CZ-CZ 4.4Å |
| 200 | C | 96.2 | Very high | 96.8 | Very high | 65 Ų | 65 | 50 Ų | 50 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -22.5 | 179.2 | -63.9 | 0 | 0 | 0 | 0 | 113.4 | K194 I196 P197 L202 | K194-C200 PolarHBondContact O-SG 3.18Å; I196-C200 PolarHBondContact O-N 3.21Å; P197-C200 PolarHBondContact O-N 3.36Å; P197-C200 VanDerWaalsContact O-N 3.09Å; C200-L202 VanDerWaalsContact C-N 3.34Å |
| 201 | E | 95.3 | Very high | 96.9 | Very high | 123 Ų | 123 | 49 Ų | 49 | 58% | 0.575 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.4 | 174.6 | -67.8 | 177.6 | -171.2 | 0 | 0 | 114.1 | P197 F199 | P197-E201 PolarHBondContact O-N 3.42Å; F199-E201 PolarHBondContact O-N 3.3Å |
| 202 | L | 96.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -81.9 | 157.7 | 175.7 | -58.6 | 177.7 | 0 | 0 | 0 | 111.1 | A198 F199 C200 D206 Q207 L210 K298 I299 | A198-L202 WeakPolarHBondContact O-CG 3.42Å; F199-L202 HydrophobicContact CD2-CD1 4.29Å; F199-L202 VanDerWaalsContact O-CB 3.3Å; F199-L202 WeakPolarHBondContact O-CB 3.42Å; F199-L202 WeakPolarHBondContact O-CG 3.43Å; F199-L202 PolarHBondContact O-N 2.89Å; C200-L202 VanDerWaalsContact C-N 3.34Å; L202-D206 HydrophobicContact CB-CB 4.21Å; L202-Q207 HydrophobicContact CB-CG 3.95Å; L202-Q207 PolarHBondContact O-NE2 3.22Å; L202-L210 HydrophobicContact CD1-CD1 3.49Å; L202-L210 VanDerWaalsContact CD1-CD1 3.49Å; L202-K298 HydrophobicContact CD2-CD 3.93Å; L202-I299 HydrophobicContact CD1-CD1 3.76Å; L202-I299 HydrophobicContact CD2-CD1 3.88Å |
| 203 | L | 97.4 | Very high | 96.8 | Very high | 111 Ų | 111 | 53.5 Ų | 53.5 | 58% | 0.581 | 28% | 0.278 | S | S | * | . | trans | -63.9 | 150.4 | 171.1 | -61.9 | 177.8 | 0 | 0 | 0 | 110.1 | D205 D206 Q207 | L203-D205 VanDerWaalsContact C-N 3.25Å; L203-D205 PolarHBondContact O-N 2.96Å; L203-D206 WeakPolarHBondContact O-CB 3.43Å; L203-D206 PolarHBondContact O-N 3.22Å; L203-Q207 WeakPolarHBondContact O-CG 3.42Å; L203-Q207 PolarHBondContact O-N 2.92Å | ||
| 204 | L | 97.6 | Very high | 96.8 | Very high | 126 Ų | 126 | 54.9 Ų | 54.9 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58 | -39.4 | -177.1 | -173.6 | 64.9 | 0 | 0 | 0 | 112.2 | D206 Q207 V208 | L204-D206 VanDerWaalsContact C-N 3.34Å; L204-D206 PolarHBondContact O-N 3.26Å; L204-Q207 WeakPolarHBondContact O-CB 3.37Å; L204-Q207 PolarHBondContact O-N 3.36Å; L204-V208 WeakPolarHBondContact O-CG2 3.46Å; L204-V208 PolarHBondContact O-N 2.94Å |
| 205 | D | 97.3 | Very high | 96.9 | Very high | 127 Ų | 127 | 50.2 Ų | 50.2 | 68% | 0.679 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.3 | -39.2 | 177.4 | -64.5 | -25.7 | 0 | 0 | 0 | 111.9 | L203 V208 A209 | L203-D205 VanDerWaalsContact C-N 3.25Å; L203-D205 PolarHBondContact O-N 2.96Å; D205-V208 PolarHBondContact O-N 3.47Å; D205-A209 WeakPolarHBondContact O-CB 3.23Å; D205-A209 PolarHBondContact O-N 3.07Å |
| 206 | D | 98 | Very high | 97 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 174.9 | -63.6 | -28 | 0 | 0 | 0 | 111.2 | L202 L203 L204 V208 A209 L210 L293 S294 | L202-D206 HydrophobicContact CB-CB 4.21Å; L203-D206 WeakPolarHBondContact O-CB 3.43Å; L203-D206 PolarHBondContact O-N 3.22Å; L204-D206 VanDerWaalsContact C-N 3.34Å; L204-D206 PolarHBondContact O-N 3.26Å; D206-V208 VanDerWaalsContact C-N 3.32Å; D206-V208 PolarHBondContact O-N 3.02Å; D206-A209 PolarHBondContact O-N 3.03Å; D206-L210 WeakPolarHBondContact O-CG 3.26Å; D206-L210 PolarHBondContact O-N 3.01Å; D206-L293 HydrophobicContact CB-CD2 3.93Å; D206-L293 WeakPolarHBondContact OD1-CA 3.46Å; D206-S294 WeakPolarHBondContact OD1-CB 3.44Å; D206-S294 PolarHBondContact OD1-N 3.19Å; D206-S294 PolarHBondContact OD1-OG 2.88Å; D206-S294 PolarHBondContact OD2-OG 3.49Å |
| 207 | Q | 98.2 | Very high | 97.1 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 176 | -70 | -179.3 | 29.7 | 0 | 0 | 111.1 | F199 L202 L203 L204 L211 | F199-Q207 HydrophobicContact CD2-CB 4.47Å; F199-Q207 HydrophobicContact CD2-CG 4.08Å; F199-Q207 HydrophobicContact CE1-CB 4.36Å; F199-Q207 HydrophobicContact CE1-CG 4.08Å; F199-Q207 HydrophobicContact CE2-CB 3.56Å; F199-Q207 HydrophobicContact CE2-CG 3.62Å; F199-Q207 HydrophobicContact CZ-CB 3.5Å; F199-Q207 VanDerWaalsContact CZ-CB 3.5Å; F199-Q207 HydrophobicContact CZ-CG 3.62Å; F199-Q207 PolarHBondContact O-NE2 2.79Å; L202-Q207 HydrophobicContact CB-CG 3.95Å; L202-Q207 PolarHBondContact O-NE2 3.22Å; L203-Q207 WeakPolarHBondContact O-CG 3.42Å; L203-Q207 PolarHBondContact O-N 2.92Å; L204-Q207 WeakPolarHBondContact O-CB 3.37Å; L204-Q207 PolarHBondContact O-N 3.36Å; Q207-L211 WeakPolarHBondContact O-CB 3.25Å; Q207-L211 WeakPolarHBondContact O-CG 3.32Å; Q207-L211 PolarHBondContact O-N 3.37Å |
| 208 | V | 97.4 | Very high | 97.3 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 30% | 0.303 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66 | -42 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L204 D205 D206 L210 L211 R212 | L204-V208 WeakPolarHBondContact O-CG2 3.46Å; L204-V208 PolarHBondContact O-N 2.94Å; D205-V208 PolarHBondContact O-N 3.47Å; D206-V208 VanDerWaalsContact C-N 3.32Å; D206-V208 PolarHBondContact O-N 3.02Å; V208-L210 PolarHBondContact O-N 3.35Å; V208-L211 PolarHBondContact O-N 3.37Å; V208-R212 HydrophobicContact CG1-CG 4.41Å; V208-R212 WeakPolarHBondContact O-CB 3.23Å; V208-R212 WeakPolarHBondContact O-CG 3.43Å; V208-R212 PolarHBondContact O-N 3.01Å |
| 209 | A | 97.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 44 Ų | 44 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D205 D206 R212 A213 L293 | D205-A209 WeakPolarHBondContact O-CB 3.23Å; D205-A209 PolarHBondContact O-N 3.07Å; D206-A209 PolarHBondContact O-N 3.03Å; A209-R212 PolarHBondContact O-N 3.49Å; A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 2.89Å; A209-L293 HydrophobicContact CB-CD2 4.11Å; A209-L293 HydrophobicContact CB-CG 4.47Å |
| 210 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 178.6 | -64.9 | 175 | 0 | 0 | 0 | 112.5 | L202 D206 V208 R212 A213 F285 F286 A290 L293 I299 | L202-L210 HydrophobicContact CD1-CD1 3.49Å; L202-L210 VanDerWaalsContact CD1-CD1 3.49Å; D206-L210 WeakPolarHBondContact O-CG 3.26Å; D206-L210 PolarHBondContact O-N 3.01Å; V208-L210 PolarHBondContact O-N 3.35Å; L210-R212 PolarHBondContact O-N 2.65Å; L210-A213 PolarHBondContact O-N 2.82Å; L210-F285 HydrophobicContact CB-CE1 4.47Å; L210-F285 HydrophobicContact CB-CE2 4.27Å; L210-F285 HydrophobicContact CB-CZ 4.12Å; L210-F285 WeakPolarHBondContact CD2-O 3.45Å; L210-F286 HydrophobicContact CD1-CD1 4.28Å; L210-A290 HydrophobicContact CD2-CB 4.2Å; L210-L293 HydrophobicContact CD2-CD1 4.36Å; L210-L293 HydrophobicContact CD2-CD2 4.05Å; L210-L293 HydrophobicContact CG-CD2 4.11Å; L210-I299 HydrophobicContact CD1-CD1 4Å; L210-I299 HydrophobicContact CD2-CG2 4.03Å |
| 211 | L | 97.9 | Very high | 97.7 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -30.4 | 177.5 | -79.6 | 167.7 | 0 | 0 | 0 | 112.8 | L189 V190 A193 F199 Q207 V208 F285 M364 | L189-L211 HydrophobicContact CG-CD2 4.22Å; V190-L211 HydrophobicContact CG2-CD1 4.26Å; V190-L211 HydrophobicContact CG2-CD2 4.09Å; A193-L211 HydrophobicContact CB-CD2 4.15Å; F199-L211 HydrophobicContact CE2-CG 4.37Å; F199-L211 HydrophobicContact CZ-CD1 3.93Å; F199-L211 HydrophobicContact CZ-CG 4.19Å; Q207-L211 WeakPolarHBondContact O-CB 3.25Å; Q207-L211 WeakPolarHBondContact O-CG 3.32Å; Q207-L211 PolarHBondContact O-N 3.37Å; V208-L211 PolarHBondContact O-N 3.37Å; L211-F285 HydrophobicContact CD2-CE2 3.93Å; L211-F285 HydrophobicContact CD2-CZ 4.24Å; L211-F285 HydrophobicContact CG-CE2 4.26Å; L211-F285 HydrophobicContact CG-CZ 4.36Å; L211-M364 HydrophobicContact CB-CE 4.09Å; L211-M364 WeakPolarHBondContact O-CE 3.5Å |
| 212 | R | 96.6 | Very high | 97.8 | Very high | 112 Ų | 112 | 36.1 Ų | 36.1 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -87.4 | -31.1 | 179.3 | -71.3 | 179.4 | 172.8 | 166.6 | -2.4 | 113.5 | V208 A209 L210 H214 E363 | V208-R212 HydrophobicContact CG1-CG 4.41Å; V208-R212 WeakPolarHBondContact O-CB 3.23Å; V208-R212 WeakPolarHBondContact O-CG 3.43Å; V208-R212 PolarHBondContact O-N 3.01Å; A209-R212 PolarHBondContact O-N 3.49Å; L210-R212 PolarHBondContact O-N 2.65Å; R212-H214 PolarHBondContact O-N 2.9Å; R212-E363 IonicContact NH2-OE2 3.48Å; R212-E363 PolarHBondContact NH2-OE2 2.88Å |
| 213 | A | 97 | Very high | 97.9 | Very high | 38 Ų | 38 | 36.1 Ų | 36.1 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.8 | -45.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A209 L210 A290 | A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 2.89Å; L210-A213 PolarHBondContact O-N 2.82Å; A213-A290 HydrophobicContact CB-CB 3.67Å |
| 214 | H | 97.8 | Very high | 98 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 14% | 0.139 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | 35.2 | -172.9 | -63.2 | -62.9 | 0 | 0 | 0 | 113.3 | R212 G216 E217 H218 I284 D287 | R212-H214 PolarHBondContact O-N 2.9Å; H214-G216 PolarHBondContact O-N 3Å; H214-E217 VanDerWaalsContact C-OE2 3.26Å; H214-E217 WeakPolarHBondContact CA-OE2 3.4Å; H214-E217 HydrophobicContact CB-CB 4.26Å; H214-E217 HydrophobicContact CB-CG 4.44Å; H214-E217 IonicContact CE1-OE1 2.8Å; H214-E217 IonicContact CG-OE1 2.74Å; H214-E217 IonicContact ND1-OE1 2.98Å; H214-E217 PolarHBondContact ND1-OE1 3.29Å; H214-E217 IonicContact ND1-OE2 2.71Å; H214-E217 PolarHBondContact O-N 3.03Å; H214-H218 PolarHBondContact O-CD2 3.38Å; H214-H218 PolarHBondContact O-N 2.99Å; H214-H218 VanDerWaalsContact O-N 3.15Å; H214-I284 HydrophobicContact CB-CG2 3.67Å; H214-I284 PolarHBondContact CD2-O 3.32Å; H214-D287 WeakPolarHBondContact NE2-CB 3.44Å; H214-D287 IonicContact NE2-OD2 2.71Å; H214-D287 PolarHBondContact NE2-OD2 3.31Å |
| 215 | A | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -37.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L186 H218 L219 M364 L365 | L186-A215 HydrophobicContact CD2-CB 3.84Å; A215-H218 PolarHBondContact O-N 2.82Å; A215-L219 WeakPolarHBondContact O-CG 3.46Å; A215-L219 PolarHBondContact O-N 2.92Å; A215-M364 HydrophobicContact CB-CB 4.05Å; A215-M364 HydrophobicContact CB-CE 4.31Å; A215-M364 WeakPolarHBondContact CB-O 3.24Å; A215-L365 HydrophobicContact CB-CD2 4.09Å |
| 216 | G | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H214 H218 L219 L220 L365 | H214-G216 PolarHBondContact O-N 3Å; G216-H218 VanDerWaalsContact C-N 3.29Å; G216-H218 PolarHBondContact O-N 3.5Å; G216-L219 PolarHBondContact O-N 3.25Å; G216-L220 PolarHBondContact O-N 3.46Å; G216-L365 VanDerWaalsContact N-CD2 3.33Å |
| 217 | E | 98.7 | Very high | 97.8 | Very high | 18 Ų | 18 | 22.2 Ų | 22.2 | 8% | 0.084 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 175.9 | -67 | 89.4 | 148.2 | 0 | 0 | 110.5 | H214 L220 L221 I284 L335 T339 | H214-E217 VanDerWaalsContact C-OE2 3.26Å; H214-E217 WeakPolarHBondContact CA-OE2 3.4Å; H214-E217 HydrophobicContact CB-CB 4.26Å; H214-E217 HydrophobicContact CB-CG 4.44Å; H214-E217 IonicContact CE1-OE1 2.8Å; H214-E217 IonicContact CG-OE1 2.74Å; H214-E217 IonicContact ND1-OE1 2.98Å; H214-E217 PolarHBondContact ND1-OE1 3.29Å; H214-E217 IonicContact ND1-OE2 2.71Å; H214-E217 PolarHBondContact O-N 3.03Å; E217-L220 PolarHBondContact O-N 3.37Å; E217-L221 WeakPolarHBondContact O-CB 3.36Å; E217-L221 PolarHBondContact O-N 3.49Å; E217-I284 HydrophobicContact CB-CG2 4.01Å; E217-L335 HydrophobicContact CB-CD2 3.92Å; E217-L335 HydrophobicContact CB-CG 4.02Å; E217-L335 HydrophobicContact CG-CD2 4.41Å; E217-L335 HydrophobicContact CG-CG 4.15Å; E217-T339 WeakPolarHBondContact CA-OG1 3.3Å; E217-T339 HydrophobicContact CG-CG2 4.27Å |
| 218 | H | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 175.2 | -78.5 | -65.6 | 0 | 0 | 0 | 113.4 | L189 H214 A215 G216 G222 K281 F285 | L189-H218 HydrophobicContact CD1-CB 3.99Å; L189-H218 HydrophobicContact CD2-CB 3.83Å; H214-H218 PolarHBondContact O-CD2 3.38Å; H214-H218 PolarHBondContact O-N 2.99Å; H214-H218 VanDerWaalsContact O-N 3.15Å; A215-H218 PolarHBondContact O-N 2.82Å; G216-H218 VanDerWaalsContact C-N 3.29Å; G216-H218 PolarHBondContact O-N 3.5Å; H218-G222 PolarHBondContact O-N 3.14Å; H218-K281 PolarHBondContact CE1-O 3.07Å; H218-K281 VanDerWaalsContact CE1-O 3.27Å; H218-K281 WeakPolarHBondContact ND1-CG 3.45Å; H218-F285 AromaticContact NE2-CD2 3.54Å |
| 219 | L | 98.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 9% | 0.089 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 176.4 | -69.1 | 176.8 | 0 | 0 | 0 | 111.5 | M182 Q185 L186 A215 G216 G222 A223 L365 | M182-L219 HydrophobicContact CB-CD1 3.99Å; M182-L219 HydrophobicContact CE-CD1 3.42Å; M182-L219 VanDerWaalsContact CE-CD1 3.42Å; M182-L219 HydrophobicContact CG-CD1 4.08Å; Q185-L219 HydrophobicContact CB-CD2 3.4Å; Q185-L219 VanDerWaalsContact CB-CD2 3.4Å; L186-L219 HydrophobicContact CD2-CD1 4Å; L186-L219 HydrophobicContact CD2-CD2 4.18Å; L186-L219 HydrophobicContact CD2-CG 4.09Å; L186-L219 HydrophobicContact CG-CD1 4.12Å; L186-L219 HydrophobicContact CG-CD2 4.17Å; L186-L219 HydrophobicContact CG-CG 4.45Å; A215-L219 WeakPolarHBondContact O-CG 3.46Å; A215-L219 PolarHBondContact O-N 2.92Å; G216-L219 PolarHBondContact O-N 3.25Å; L219-G222 PolarHBondContact O-N 2.87Å; L219-A223 WeakPolarHBondContact O-CB 3.45Å; L219-A223 PolarHBondContact O-N 3.36Å; L219-L365 HydrophobicContact CD1-CD1 3.86Å; L219-L365 HydrophobicContact CD1-CD2 4Å; L219-L365 HydrophobicContact CD1-CG 4.44Å |
| 220 | L | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 178.7 | -97.9 | 60.6 | 0 | 0 | 0 | 112 | G216 E217 A223 T224 I259 L335 I338 M342 | G216-L220 PolarHBondContact O-N 3.46Å; E217-L220 PolarHBondContact O-N 3.37Å; L220-A223 PolarHBondContact O-N 3.47Å; L220-T224 VanDerWaalsContact O-CB 3.32Å; L220-T224 WeakPolarHBondContact O-CB 3.42Å; L220-T224 PolarHBondContact O-N 3.12Å; L220-T224 PolarHBondContact O-OG1 2.7Å; L220-I259 HydrophobicContact CD1-CD1 4.29Å; L220-I259 HydrophobicContact CD2-CD1 4.2Å; L220-I259 HydrophobicContact CD2-CG1 4.17Å; L220-I259 HydrophobicContact CG-CD1 3.83Å; L220-I259 HydrophobicContact CG-CG1 4.17Å; L220-L335 HydrophobicContact CB-CD1 3.53Å; L220-L335 HydrophobicContact CD2-CD1 4.4Å; L220-I338 HydrophobicContact CD2-CB 3.91Å; L220-I338 HydrophobicContact CD2-CG2 3.58Å; L220-M342 HydrophobicContact CD1-CE 3.64Å; L220-M342 HydrophobicContact CD1-SD 3.27Å; L220-M342 WeakPolarHBondContact CD1-SD 3.42Å |
| 221 | L | 98.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 178 | -171.3 | 71.1 | 0 | 0 | 0 | 111.1 | E217 T224 K225 F267 Y277 K281 I284 L335 | E217-L221 WeakPolarHBondContact O-CB 3.36Å; E217-L221 PolarHBondContact O-N 3.49Å; L221-T224 WeakPolarHBondContact O-CB 3.46Å; L221-T224 PolarHBondContact O-N 2.99Å; L221-K225 PolarHBondContact O-N 3.36Å; L221-F267 HydrophobicContact CD1-CE2 4.28Å; L221-F267 HydrophobicContact CD1-CZ 3.61Å; L221-Y277 HydrophobicContact CD2-CD2 4.49Å; L221-Y277 HydrophobicContact CD2-CE2 4.14Å; L221-Y277 HydrophobicContact CG-CD2 4.27Å; L221-Y277 HydrophobicContact CG-CE2 3.84Å; L221-K281 HydrophobicContact CD2-CB 4.01Å; L221-K281 HydrophobicContact CD2-CG 4.26Å; L221-I284 HydrophobicContact CD2-CD1 3.85Å; L221-L335 HydrophobicContact CB-CD2 4.21Å; L221-L335 HydrophobicContact CD1-CD2 4.17Å |
| 222 | G | 97.8 | Very high | 97.1 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H218 L219 T224 K225 R226 | H218-G222 PolarHBondContact O-N 3.14Å; L219-G222 PolarHBondContact O-N 2.87Å; G222-T224 VanDerWaalsContact C-N 3.34Å; G222-T224 PolarHBondContact O-N 3.25Å; G222-K225 PolarHBondContact O-N 2.94Å; G222-R226 WeakPolarHBondContact O-CB 3.23Å; G222-R226 PolarHBondContact O-N 3.22Å |
| 223 | A | 97.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 12% | 0.116 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L219 L220 S227 | L219-A223 WeakPolarHBondContact O-CB 3.45Å; L219-A223 PolarHBondContact O-N 3.36Å; L220-A223 PolarHBondContact O-N 3.47Å; A223-S227 VanDerWaalsContact O-CB 3.23Å; A223-S227 WeakPolarHBondContact O-CB 3.36Å; A223-S227 PolarHBondContact O-N 3.14Å; A223-S227 PolarHBondContact O-OG 3.39Å |
| 224 | T | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -53.5 | 176 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | L220 L221 G222 R226 S227 M228 L263 V264 F267 | L220-T224 VanDerWaalsContact O-CB 3.32Å; L220-T224 WeakPolarHBondContact O-CB 3.42Å; L220-T224 PolarHBondContact O-N 3.12Å; L220-T224 PolarHBondContact O-OG1 2.7Å; L221-T224 WeakPolarHBondContact O-CB 3.46Å; L221-T224 PolarHBondContact O-N 2.99Å; G222-T224 VanDerWaalsContact C-N 3.34Å; G222-T224 PolarHBondContact O-N 3.25Å; T224-R226 VanDerWaalsContact C-N 3.34Å; T224-R226 PolarHBondContact O-N 2.94Å; T224-S227 PolarHBondContact O-N 3.27Å; T224-M228 PolarHBondContact O-N 3.19Å; T224-L263 HydrophobicContact CG2-CB 3.72Å; T224-V264 HydrophobicContact CG2-CG2 3.93Å; T224-F267 HydrophobicContact CG2-CB 4.21Å; T224-F267 HydrophobicContact CG2-CD1 3.93Å; T224-F267 HydrophobicContact CG2-CD2 3.66Å; T224-F267 HydrophobicContact CG2-CE1 4.21Å; T224-F267 HydrophobicContact CG2-CE2 3.95Å; T224-F267 HydrophobicContact CG2-CG 3.65Å; T224-F267 HydrophobicContact CG2-CZ 4.23Å |
| 225 | K | 97.5 | Very high | 97 | Very high | 31 Ų | 31 | 28 Ų | 28 | 14% | 0.135 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58 | -44.7 | 179.6 | 177.3 | 65.5 | -174.7 | -166.4 | 0 | 112 | L221 G222 S227 M228 F267 I272 D274 Y277 | L221-K225 PolarHBondContact O-N 3.36Å; G222-K225 PolarHBondContact O-N 2.94Å; K225-S227 VanDerWaalsContact C-N 3.25Å; K225-S227 PolarHBondContact O-N 2.98Å; K225-M228 HydrophobicContact CD-SD 3.68Å; K225-M228 VanDerWaalsContact O-CG 3.26Å; K225-M228 WeakPolarHBondContact O-CG 3.41Å; K225-F267 HydrophobicContact CB-CE1 4.4Å; K225-I272 PolarHBondContact NZ-O 3.22Å; K225-I272 VanDerWaalsContact NZ-O 3.12Å; K225-D274 WeakPolarHBondContact CE-OD1 3.4Å; K225-D274 IonicContact NZ-OD1 2.68Å; K225-D274 PolarHBondContact NZ-OD1 3.43Å; K225-Y277 HydrophobicContact CB-CD2 3.73Å; K225-Y277 HydrophobicContact CB-CE2 3.43Å; K225-Y277 VanDerWaalsContact CB-CE2 3.43Å; K225-Y277 HydrophobicContact CB-CG 4.47Å; K225-Y277 HydrophobicContact CD-CD1 4.42Å; K225-Y277 HydrophobicContact CD-CD2 3.94Å; K225-Y277 HydrophobicContact CD-CE2 4.42Å; K225-Y277 HydrophobicContact CD-CG 3.94Å; K225-Y277 HydrophobicContact CG-CD1 4.21Å; K225-Y277 HydrophobicContact CG-CD2 3.78Å; K225-Y277 HydrophobicContact CG-CE1 4.19Å; K225-Y277 HydrophobicContact CG-CE2 3.74Å; K225-Y277 HydrophobicContact CG-CG 4.01Å |
| 226 | R | 95.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 28.8 Ų | 28.8 | 19% | 0.185 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.1 | -27.1 | 178.6 | -175.5 | 170.5 | 56.5 | -105.9 | -7 | 112.9 | G222 T224 L235 L236 | G222-R226 WeakPolarHBondContact O-CB 3.23Å; G222-R226 PolarHBondContact O-N 3.22Å; T224-R226 VanDerWaalsContact C-N 3.34Å; T224-R226 PolarHBondContact O-N 2.94Å; R226-L235 HydrophobicContact CG-CB 4.32Å; R226-L235 HydrophobicContact CG-CD2 3.94Å; R226-L235 HydrophobicContact CG-CG 4.16Å; R226-L235 VanDerWaalsContact CZ-O 3.28Å; R226-L235 PolarHBondContact NE-O 3.41Å; R226-L235 PolarHBondContact NH2-O 3.27Å; R226-L236 PolarHBondContact NE-O 3.39Å |
| 227 | S | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -93.2 | -13.1 | -176.3 | -53 | 0 | 0 | 0 | 0 | 113.9 | A223 T224 K225 V229 F230 L234 L235 | A223-S227 VanDerWaalsContact O-CB 3.23Å; A223-S227 WeakPolarHBondContact O-CB 3.36Å; A223-S227 PolarHBondContact O-N 3.14Å; A223-S227 PolarHBondContact O-OG 3.39Å; T224-S227 PolarHBondContact O-N 3.27Å; K225-S227 VanDerWaalsContact C-N 3.25Å; K225-S227 PolarHBondContact O-N 2.98Å; S227-V229 PolarHBondContact O-N 3.44Å; S227-F230 PolarHBondContact O-N 3.1Å; S227-L234 WeakPolarHBondContact OG-CA 3.38Å; S227-L235 PolarHBondContact OG-N 3.02Å |
| 228 | M | 95.5 | Very high | 96.3 | Very high | 27 Ų | 27 | 29.4 Ų | 29.4 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.6 | -174.9 | 79.4 | -175.7 | -70.8 | 0 | 0 | 114.5 | T224 K225 F230 F267 Q268 | T224-M228 PolarHBondContact O-N 3.19Å; K225-M228 HydrophobicContact CD-SD 3.68Å; K225-M228 VanDerWaalsContact O-CG 3.26Å; K225-M228 WeakPolarHBondContact O-CG 3.41Å; M228-F230 VanDerWaalsContact C-N 3.32Å; M228-F267 HydrophobicContact CB-CB 4.37Å; M228-F267 HydrophobicContact CE-CB 4.47Å; M228-F267 WeakPolarHBondContact CE-O 3.26Å; M228-F267 HydrophobicContact SD-CD1 4.38Å; M228-Q268 HydrophobicContact CB-CG 4.25Å; M228-Q268 VanDerWaalsContact O-CG 3.23Å; M228-Q268 WeakPolarHBondContact O-CG 3.25Å; M228-Q268 PolarHBondContact O-NE2 3.01Å |
| 229 | V | 93.9 | Very high | 96.1 | Very high | 90 Ų | 90 | 31.4 Ų | 31.4 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.6 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | I163 S227 | I163-V229 HydrophobicContact CG2-CG2 3.85Å; S227-V229 PolarHBondContact O-N 3.44Å |
| 230 | F | 94.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -114.4 | 160.3 | -177.5 | -51.1 | -68 | 0 | 0 | 0 | 111.7 | I163 I167 S227 M228 V233 L235 Q268 | I163-F230 HydrophobicContact CG2-CZ 4.36Å; I167-F230 HydrophobicContact CB-CD1 4.2Å; I167-F230 HydrophobicContact CB-CE1 4.09Å; I167-F230 HydrophobicContact CD1-CB 3.84Å; I167-F230 HydrophobicContact CD1-CD1 3.35Å; I167-F230 HydrophobicContact CD1-CD2 3.69Å; I167-F230 HydrophobicContact CD1-CE1 3.73Å; I167-F230 HydrophobicContact CD1-CE2 4.06Å; I167-F230 HydrophobicContact CD1-CG 3.33Å; I167-F230 HydrophobicContact CD1-CZ 4.06Å; I167-F230 HydrophobicContact CG1-CD1 4.37Å; I167-F230 HydrophobicContact CG1-CE1 4.46Å; I167-F230 HydrophobicContact CG2-CD1 4.37Å; S227-F230 PolarHBondContact O-N 3.1Å; M228-F230 VanDerWaalsContact C-N 3.32Å; F230-V233 HydrophobicContact CB-CG1 3.5Å; F230-V233 VanDerWaalsContact CB-CG1 3.5Å; F230-V233 HydrophobicContact CG-CG1 4.31Å; F230-L235 HydrophobicContact CD2-CB 4.3Å; F230-L235 HydrophobicContact CE2-CB 4.04Å; F230-L235 HydrophobicContact CE2-CD2 3.61Å; F230-L235 HydrophobicContact CE2-CG 4.44Å; F230-L235 HydrophobicContact CZ-CD2 4.11Å; F230-Q268 PolarHBondContact O-NE2 2.78Å |
| 231 | K | 94.1 | Very high | 95.8 | Very high | 173 Ų | 173 | 34 Ų | 34 | 75% | 0.752 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -108.2 | 129.9 | 179.3 | 179.4 | 174.4 | 178.7 | 176.6 | 0 | 110.6 | V233 | K231-V233 WeakPolarHBondContact O-CG1 3.38Å; K231-V233 PolarHBondContact O-N 3.21Å |
| 232 | D | 95.4 | Very high | 95.7 | Very high | 77 Ų | 77 | 33.9 Ų | 33.9 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 57.1 | 28.9 | 173.4 | -67.3 | -55.1 | 0 | 0 | 0 | 114.8 | R244 | D232-R244 HydrophobicContact CB-CB 4.17Å; D232-R244 WeakPolarHBondContact O-CB 3.27Å; D232-R244 PolarHBondContact O-N 3.15Å; D232-R244 IonicContact OD1-NH1 3.57Å |
| 233 | V | 96.3 | Very high | 95.5 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 138.8 | -178.1 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | I167 F230 K231 I241 | I167-V233 HydrophobicContact CD1-CB 4.44Å; I167-V233 HydrophobicContact CD1-CG1 3.41Å; I167-V233 VanDerWaalsContact CD1-CG1 3.41Å; I167-V233 HydrophobicContact CD1-CG2 4.15Å; I167-V233 HydrophobicContact CG1-CG1 4.43Å; F230-V233 HydrophobicContact CB-CG1 3.5Å; F230-V233 VanDerWaalsContact CB-CG1 3.5Å; F230-V233 HydrophobicContact CG-CG1 4.31Å; K231-V233 WeakPolarHBondContact O-CG1 3.38Å; K231-V233 PolarHBondContact O-N 3.21Å; V233-I241 HydrophobicContact CG2-CB 3.75Å; V233-I241 HydrophobicContact CG2-CD1 4.27Å; V233-I241 HydrophobicContact CG2-CG2 4.12Å |
| 234 | L | 97.2 | Very high | 95.3 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.6 | 169.8 | -56.8 | 175.1 | 0 | 0 | 0 | 110.2 | S227 I241 V242 I259 L260 V264 | S227-L234 WeakPolarHBondContact OG-CA 3.38Å; L234-I241 CarbonylContact O-C 3.51Å; L234-I241 VanDerWaalsContact O-CA 3.29Å; L234-I241 WeakPolarHBondContact O-CA 3.25Å; L234-V242 HydrophobicContact CB-CB 4.25Å; L234-V242 PolarHBondContact N-O 2.86Å; L234-V242 PolarHBondContact O-N 3.42Å; L234-I259 HydrophobicContact CD1-CB 4.13Å; L234-I259 HydrophobicContact CD1-CD1 4.2Å; L234-I259 HydrophobicContact CD1-CG2 4.01Å; L234-I259 HydrophobicContact CD2-CB 4.5Å; L234-I259 HydrophobicContact CD2-CG2 3.73Å; L234-L260 HydrophobicContact CD2-CD2 3.56Å; L234-L260 HydrophobicContact CD2-CG 3.97Å; L234-L260 HydrophobicContact CG-CD2 3.94Å; L234-L260 HydrophobicContact CG-CG 4.09Å; L234-V264 HydrophobicContact CD2-CG2 3.8Å |
| 235 | L | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.3 | 171.4 | 177.8 | 60.3 | 0 | 0 | 0 | 109.7 | K170 R226 S227 F230 I241 | K170-L235 HydrophobicContact CD-CD1 3.55Å; R226-L235 HydrophobicContact CG-CB 4.32Å; R226-L235 HydrophobicContact CG-CD2 3.94Å; R226-L235 HydrophobicContact CG-CG 4.16Å; R226-L235 VanDerWaalsContact CZ-O 3.28Å; R226-L235 PolarHBondContact NE-O 3.41Å; R226-L235 PolarHBondContact NH2-O 3.27Å; S227-L235 PolarHBondContact OG-N 3.02Å; F230-L235 HydrophobicContact CD2-CB 4.3Å; F230-L235 HydrophobicContact CE2-CB 4.04Å; F230-L235 HydrophobicContact CE2-CD2 3.61Å; F230-L235 HydrophobicContact CE2-CG 4.44Å; F230-L235 HydrophobicContact CZ-CD2 4.11Å; L235-I241 HydrophobicContact CD1-CG2 4.1Å |
| 236 | L | 95.9 | Very high | 94.5 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 166 | 176.5 | -56.3 | -172.4 | 0 | 0 | 0 | 111.4 | A173 V178 R226 N238 D239 Y240 V242 | A173-L236 HydrophobicContact CB-CD1 3.61Å; V178-L236 HydrophobicContact CG2-CD1 3.9Å; R226-L236 PolarHBondContact NE-O 3.39Å; L236-N238 VanDerWaalsContact C-N 3.28Å; L236-N238 VanDerWaalsContact CB-OD1 3.24Å; L236-N238 WeakPolarHBondContact CB-OD1 3.34Å; L236-N238 PolarHBondContact O-N 3.06Å; L236-D239 PolarHBondContact O-N 3.1Å; L236-Y240 WeakPolarHBondContact CB-O 3.36Å; L236-Y240 PolarHBondContact N-O 2.95Å; L236-V242 HydrophobicContact CD1-CG2 4.14Å; L236-V242 HydrophobicContact CD2-CG2 4.2Å; L236-V242 HydrophobicContact CG-CG2 4.26Å |
| 237 | G | 92.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S181 D239 | S181-G237 WeakPolarHBondContact OG-CA 3.46Å; S181-G237 PolarHBondContact OG-N 3.17Å; G237-D239 VanDerWaalsContact C-N 3.29Å; G237-D239 PolarHBondContact O-N 3.45Å |
| 238 | N | 93.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 22.4 | 176.4 | 60.7 | -5.6 | 0 | 0 | 0 | 112.8 | D177 S181 L236 Y240 | D177-N238 PolarHBondContact O-ND2 3.19Å; S181-N238 WeakPolarHBondContact CB-OD1 3.33Å; L236-N238 VanDerWaalsContact C-N 3.28Å; L236-N238 VanDerWaalsContact CB-OD1 3.24Å; L236-N238 WeakPolarHBondContact CB-OD1 3.34Å; L236-N238 PolarHBondContact O-N 3.06Å; N238-Y240 HydrophobicContact CB-CD2 4.39Å; N238-Y240 WeakPolarHBondContact O-CD2 3.46Å; N238-Y240 PolarHBondContact O-N 2.98Å; N238-Y240 VanDerWaalsContact O-N 3.12Å |
| 239 | D | 92.5 | Very high | 92.7 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 68 | 7.1 | 172.9 | -111.4 | 14 | 0 | 0 | 0 | 117 | K170 L236 G237 | K170-D239 WeakPolarHBondContact CD-O 3.45Å; K170-D239 IonicContact NZ-OD1 3.87Å; K170-D239 PolarHBondContact NZ-OD1 2.97Å; K170-D239 IonicContact NZ-OD2 3.36Å; K170-D239 PolarHBondContact NZ-OD2 3.31Å; L236-D239 PolarHBondContact O-N 3.1Å; G237-D239 VanDerWaalsContact C-N 3.29Å; G237-D239 PolarHBondContact O-N 3.45Å |
| 240 | Y | 94.9 | Very high | 92.1 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | trans | -79.6 | 159 | 166.1 | -72.4 | -95.1 | 0 | 0 | 0 | 112 | K171 A173 D177 L236 N238 | K171-Y240 HydrophobicContact CB-CD1 3.68Å; K171-Y240 HydrophobicContact CB-CE1 3.62Å; K171-Y240 HydrophobicContact CD-CE1 4.12Å; K171-Y240 WeakPolarHBondContact O-CA 3.36Å; K171-Y240 WeakPolarHBondContact O-CD1 3.14Å; A173-Y240 HydrophobicContact CB-CD1 4.5Å; A173-Y240 HydrophobicContact CB-CG 4.4Å; D177-Y240 HydrophobicContact CB-CD1 4.44Å; D177-Y240 HydrophobicContact CB-CD2 4.21Å; D177-Y240 HydrophobicContact CB-CE2 4.44Å; D177-Y240 HydrophobicContact CB-CG 4.2Å; L236-Y240 WeakPolarHBondContact CB-O 3.36Å; L236-Y240 PolarHBondContact N-O 2.95Å; N238-Y240 HydrophobicContact CB-CD2 4.39Å; N238-Y240 WeakPolarHBondContact O-CD2 3.46Å; N238-Y240 PolarHBondContact O-N 2.98Å; N238-Y240 VanDerWaalsContact O-N 3.12Å | ||
| 241 | I | 95.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.2 | 178.3 | 58.4 | 165 | 0 | 0 | 0 | 112.4 | I167 K170 K171 I172 A173 V233 L234 L235 P243 | I167-I241 HydrophobicContact CD1-CG2 4.24Å; I167-I241 HydrophobicContact CG1-CG2 3.96Å; K170-I241 HydrophobicContact CB-CD1 4.48Å; K170-I241 HydrophobicContact CB-CG1 4.24Å; K170-I241 HydrophobicContact CB-CG2 3.68Å; K170-I241 HydrophobicContact CD-CG2 3.8Å; K170-I241 HydrophobicContact CG-CG2 4.36Å; K171-I241 WeakPolarHBondContact O-CG1 3.38Å; K171-I241 PolarHBondContact O-N 2.97Å; I172-I241 WeakPolarHBondContact CA-O 3.47Å; A173-I241 PolarHBondContact N-O 3.17Å; V233-I241 HydrophobicContact CG2-CB 3.75Å; V233-I241 HydrophobicContact CG2-CD1 4.27Å; V233-I241 HydrophobicContact CG2-CG2 4.12Å; L234-I241 CarbonylContact O-C 3.51Å; L234-I241 VanDerWaalsContact O-CA 3.29Å; L234-I241 WeakPolarHBondContact O-CA 3.25Å; L235-I241 HydrophobicContact CD1-CG2 4.1Å; I241-P243 HydrophobicContact CD1-CG 4.32Å |
| 242 | V | 96.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 96.4 | 169.5 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | A173 V178 L234 L236 C246 L249 | A173-V242 HydrophobicContact CB-CG2 3.93Å; V178-V242 HydrophobicContact CG2-CG2 4.47Å; L234-V242 HydrophobicContact CB-CB 4.25Å; L234-V242 PolarHBondContact N-O 2.86Å; L234-V242 PolarHBondContact O-N 3.42Å; L236-V242 HydrophobicContact CD1-CG2 4.14Å; L236-V242 HydrophobicContact CD2-CG2 4.2Å; L236-V242 HydrophobicContact CG-CG2 4.26Å; V242-C246 HydrophobicContact CG1-CB 4.2Å; V242-L249 HydrophobicContact CB-CD1 4.33Å; V242-L249 HydrophobicContact CG1-CD1 3.43Å; V242-L249 VanDerWaalsContact CG1-CD1 3.43Å; V242-L249 HydrophobicContact CG2-CD1 3.94Å |
| 243 | P | 95.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 20% | 0.195 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 156.6 | 173.9 | -20.5 | 32.9 | 0 | 0 | 0 | 111.7 | I172 I241 H245 C246 | I172-P243 HydrophobicContact CD1-CG 4.39Å; I172-P243 HydrophobicContact CG1-CG 4.24Å; I241-P243 HydrophobicContact CD1-CG 4.32Å; P243-H245 PolarHBondContact O-N 3.43Å; P243-C246 WeakPolarHBondContact O-CB 3.35Å |
| 244 | R | 94.1 | Very high | 90.4 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -50 | -42.7 | 175.5 | -174.6 | -178.1 | -172.4 | 78.5 | 8.7 | 113 | D232 I257 L260 D261 | D232-R244 HydrophobicContact CB-CB 4.17Å; D232-R244 WeakPolarHBondContact O-CB 3.27Å; D232-R244 PolarHBondContact O-N 3.15Å; D232-R244 IonicContact OD1-NH1 3.57Å; R244-I257 HydrophobicContact CG-CG1 4.39Å; R244-L260 HydrophobicContact CB-CD1 3.91Å; R244-L260 HydrophobicContact CG-CD1 4.21Å; R244-D261 IonicContact CZ-OD1 2.73Å; R244-D261 IonicContact CZ-OD2 2.98Å; R244-D261 IonicContact NH1-OD1 3.33Å; R244-D261 PolarHBondContact NH1-OD1 3.43Å; R244-D261 IonicContact NH1-OD2 3.64Å; R244-D261 IonicContact NH2-OD1 3.66Å; R244-D261 PolarHBondContact NH2-OD1 2.71Å; R244-D261 VanDerWaalsContact NH2-OD1 3.17Å; R244-D261 IonicContact NH2-OD2 3.2Å; R244-D261 PolarHBondContact NH2-OD2 2.98Å |
| 245 | H | 90.8 | Very high | 90.3 | Very high | 159 Ų | 159 | 49.4 Ų | 49.4 | 74% | 0.736 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -103.4 | 96.8 | 172.2 | -173.6 | 65.4 | 0 | 0 | 0 | 109.4 | P243 | P243-H245 PolarHBondContact O-N 3.43Š|
| 246 | C | 88.3 | Confident | 90.3 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | trans | -121.7 | 91.4 | 178.9 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | V242 P243 E248 L249 | V242-C246 HydrophobicContact CG1-CB 4.2Å; P243-C246 WeakPolarHBondContact O-CB 3.35Å; C246-E248 PolarHBondContact O-N 2.75Å; C246-L249 HydrophobicContact CB-CD1 4.25Å; C246-L249 PolarHBondContact O-N 3.47Å | ||
| 247 | P | 85.9 | Confident | 90.3 | Very high | 94 Ų | 94 | 51.3 Ų | 51.3 | 61% | 0.61 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -65.2 | -25.1 | -179.9 | 26.2 | -33.6 | 0 | 0 | 0 | 112.6 | L249 A250 | P247-L249 PolarHBondContact O-N 3.06Å; P247-A250 PolarHBondContact O-N 3.24Å |
| 248 | E | 82.2 | Confident | 90.6 | Very high | 107 Ų | 107 | 53.5 Ų | 53.5 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -62.8 | -19.8 | 179.5 | -61.8 | 177.8 | -153.9 | 0 | 0 | 113.5 | C246 | C246-E248 PolarHBondContact O-N 2.75Š|
| 249 | L | 81.6 | Confident | 90.9 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -100 | -1.6 | -179.3 | -69 | 177.1 | 0 | 0 | 0 | 113.9 | I175 V178 V242 C246 P247 E251 M252 | I175-L249 HydrophobicContact CG1-CD2 3.88Å; V178-L249 HydrophobicContact CG2-CD2 4.08Å; V242-L249 HydrophobicContact CB-CD1 4.33Å; V242-L249 HydrophobicContact CG1-CD1 3.43Å; V242-L249 VanDerWaalsContact CG1-CD1 3.43Å; V242-L249 HydrophobicContact CG2-CD1 3.94Å; C246-L249 HydrophobicContact CB-CD1 4.25Å; C246-L249 PolarHBondContact O-N 3.47Å; P247-L249 PolarHBondContact O-N 3.06Å; L249-E251 PolarHBondContact O-N 3.41Å; L249-M252 HydrophobicContact CB-CB 4.07Å; L249-M252 VanDerWaalsContact O-CB 3.3Å; L249-M252 WeakPolarHBondContact O-CB 3.49Å; L249-M252 PolarHBondContact O-N 2.7Å |
| 250 | A | 82.1 | Confident | 91.1 | Very high | 65 Ų | 65 | 50.4 Ų | 50.4 | 54% | 0.537 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | 44.6 | -122 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P247 M252 S253 | P247-A250 PolarHBondContact O-N 3.24Å; A250-M252 VanDerWaalsContact C-N 3.29Å; A250-M252 PolarHBondContact O-N 3.08Å; A250-S253 VanDerWaalsContact O-CB 3.25Å; A250-S253 WeakPolarHBondContact O-CB 3.43Å; A250-S253 PolarHBondContact O-N 3.14Å; A250-S253 VanDerWaalsContact O-N 3.13Å; A250-S253 PolarHBondContact O-OG 3.12Å |
| 251 | E | 80.1 | Confident | 91.3 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 47% | 0.467 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -66.6 | -22.7 | -178.6 | -64 | -59.7 | 137.4 | 0 | 0 | 114.1 | L249 S253 R254 | L249-E251 PolarHBondContact O-N 3.41Å; E251-S253 PolarHBondContact O-N 2.88Å; E251-R254 WeakPolarHBondContact O-CB 3.45Å; E251-R254 PolarHBondContact O-N 2.98Å; E251-R254 VanDerWaalsContact O-N 3.15Å; E251-R254 IonicContact OE1-NH2 3.86Å; E251-R254 IonicContact OE2-CZ 3.36Å; E251-R254 IonicContact OE2-NE 2.71Å; E251-R254 PolarHBondContact OE2-NE 3.05Å; E251-R254 IonicContact OE2-NH2 3.15Å; E251-R254 PolarHBondContact OE2-NH2 2.89Å; E251-R254 VanDerWaalsContact OE2-NH2 3.15Å |
| 252 | M | 83.4 | Confident | 91.4 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -64.8 | -20.7 | 173.1 | -77.2 | -70.6 | -67.4 | 0 | 0 | 112.6 | L249 A250 R254 V255 S256 M342 Q345 I349 | L249-M252 HydrophobicContact CB-CB 4.07Å; L249-M252 VanDerWaalsContact O-CB 3.3Å; L249-M252 WeakPolarHBondContact O-CB 3.49Å; L249-M252 PolarHBondContact O-N 2.7Å; A250-M252 VanDerWaalsContact C-N 3.29Å; A250-M252 PolarHBondContact O-N 3.08Å; M252-R254 PolarHBondContact O-N 2.9Å; M252-V255 WeakPolarHBondContact O-CB 3.48Å; M252-V255 PolarHBondContact O-N 3.46Å; M252-V255 VanDerWaalsContact O-N 3.09Å; M252-S256 PolarHBondContact O-N 2.73Å; M252-M342 HydrophobicContact CE-CG 4.47Å; M252-Q345 HydrophobicContact CG-CB 4.35Å; M252-Q345 HydrophobicContact SD-CB 3.25Å; M252-Q345 WeakPolarHBondContact SD-CB 3.41Å; M252-Q345 HydrophobicContact SD-CG 4Å; M252-I349 HydrophobicContact CG-CD1 3.64Å; M252-I349 HydrophobicContact SD-CD1 3.99Å |
| 253 | S | 87.1 | Confident | 91.5 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -26.8 | 174.3 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | A250 E251 V255 S256 I257 | A250-S253 VanDerWaalsContact O-CB 3.25Å; A250-S253 WeakPolarHBondContact O-CB 3.43Å; A250-S253 PolarHBondContact O-N 3.14Å; A250-S253 VanDerWaalsContact O-N 3.13Å; A250-S253 PolarHBondContact O-OG 3.12Å; E251-S253 PolarHBondContact O-N 2.88Å; S253-V255 VanDerWaalsContact C-N 3.32Å; S253-V255 PolarHBondContact O-N 3.41Å; S253-S256 WeakPolarHBondContact CA-OG 3.4Å; S253-S256 PolarHBondContact O-N 2.71Å; S253-S256 PolarHBondContact O-OG 3.03Å; S253-I257 WeakPolarHBondContact O-CD1 3.3Å; S253-I257 WeakPolarHBondContact O-CG1 3.48Å; S253-I257 PolarHBondContact O-N 3.23Å |
| 254 | R | 92.6 | Very high | 91.7 | Very high | 146 Ų | 146 | 51.5 Ų | 51.5 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 175.5 | -61.5 | -175.3 | -169.6 | -111.9 | 1.9 | 111.7 | E251 M252 R258 | E251-R254 WeakPolarHBondContact O-CB 3.45Å; E251-R254 PolarHBondContact O-N 2.98Å; E251-R254 VanDerWaalsContact O-N 3.15Å; E251-R254 IonicContact OE1-NH2 3.86Å; E251-R254 IonicContact OE2-CZ 3.36Å; E251-R254 IonicContact OE2-NE 2.71Å; E251-R254 PolarHBondContact OE2-NE 3.05Å; E251-R254 IonicContact OE2-NH2 3.15Å; E251-R254 PolarHBondContact OE2-NH2 2.89Å; E251-R254 VanDerWaalsContact OE2-NH2 3.15Å; M252-R254 PolarHBondContact O-N 2.9Å; R254-R258 WeakPolarHBondContact O-CG 3.4Å; R254-R258 PolarHBondContact O-N 3.03Å; R254-R258 VanDerWaalsContact O-N 3.15Å |
| 255 | V | 95.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -46.6 | 178.1 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | M252 S253 I257 R258 I259 I338 Q341 M342 Q345 | M252-V255 WeakPolarHBondContact O-CB 3.48Å; M252-V255 PolarHBondContact O-N 3.46Å; M252-V255 VanDerWaalsContact O-N 3.09Å; S253-V255 VanDerWaalsContact C-N 3.32Å; S253-V255 PolarHBondContact O-N 3.41Å; V255-I257 VanDerWaalsContact C-N 3.34Å; V255-I257 PolarHBondContact O-N 3.34Å; V255-R258 PolarHBondContact O-N 3.47Å; V255-I259 HydrophobicContact CG1-CD1 4.05Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 WeakPolarHBondContact O-CG1 3.11Å; V255-I259 PolarHBondContact O-N 3Å; V255-I338 HydrophobicContact CG1-CG2 4.02Å; V255-Q341 HydrophobicContact CG2-CG 4.1Å; V255-M342 HydrophobicContact CG1-CB 3.86Å; V255-M342 HydrophobicContact CG1-CG 4.29Å; V255-Q345 HydrophobicContact CG2-CG 3.98Å |
| 256 | S | 96.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 179.3 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | M252 S253 I259 L260 | M252-S256 PolarHBondContact O-N 2.73Å; S253-S256 WeakPolarHBondContact CA-OG 3.4Å; S253-S256 PolarHBondContact O-N 2.71Å; S253-S256 PolarHBondContact O-OG 3.03Å; S256-I259 PolarHBondContact O-N 3.35Å; S256-L260 WeakPolarHBondContact O-CG 3.44Å; S256-L260 PolarHBondContact O-N 2.88Å |
| 257 | I | 96.6 | Very high | 92.7 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 28% | 0.277 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.2 | -69 | 163.7 | 0 | 0 | 0 | 110.8 | R244 S253 V255 I259 L260 D261 | R244-I257 HydrophobicContact CG-CG1 4.39Å; S253-I257 WeakPolarHBondContact O-CD1 3.3Å; S253-I257 WeakPolarHBondContact O-CG1 3.48Å; S253-I257 PolarHBondContact O-N 3.23Å; V255-I257 VanDerWaalsContact C-N 3.34Å; V255-I257 PolarHBondContact O-N 3.34Å; I257-I259 PolarHBondContact O-N 3.25Å; I257-L260 PolarHBondContact O-N 3.5Å; I257-D261 PolarHBondContact O-N 2.97Å |
| 258 | R | 98 | Very high | 93.3 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.1 | -71 | -169.3 | 69.7 | -154.5 | -5.9 | 112.7 | R254 V255 L260 D261 E262 S337 I338 | R254-R258 WeakPolarHBondContact O-CG 3.4Å; R254-R258 PolarHBondContact O-N 3.03Å; R254-R258 VanDerWaalsContact O-N 3.15Å; V255-R258 PolarHBondContact O-N 3.47Å; R258-L260 VanDerWaalsContact C-N 3.31Å; R258-L260 PolarHBondContact O-N 2.92Å; R258-D261 PolarHBondContact O-N 3Å; R258-E262 WeakPolarHBondContact CG-OE1 3.22Å; R258-E262 IonicContact CZ-OE1 3.8Å; R258-E262 IonicContact CZ-OE2 3.78Å; R258-E262 IonicContact NE-OE1 2.72Å; R258-E262 PolarHBondContact NE-OE1 2.9Å; R258-E262 IonicContact NE-OE2 2.85Å; R258-E262 PolarHBondContact NE-OE2 3.49Å; R258-E262 IonicContact NH2-OE1 3.79Å; R258-E262 IonicContact NH2-OE2 3.74Å; R258-E262 PolarHBondContact NH2-OE2 3.34Å; R258-E262 VanDerWaalsContact O-CB 3.31Å; R258-E262 WeakPolarHBondContact O-CB 3.36Å; R258-E262 PolarHBondContact O-N 2.74Å; R258-S337 PolarHBondContact NH1-OG 3.42Å; R258-S337 PolarHBondContact NH2-OG 3.23Å; R258-I338 HydrophobicContact CB-CD1 4.16Å; R258-I338 HydrophobicContact CB-CG1 4.12Å; R258-I338 HydrophobicContact CB-CG2 4.31Å |
| 259 | I | 98.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 174 | -64.1 | 167 | 0 | 0 | 0 | 110.1 | L220 L234 V255 S256 I257 L263 V264 I338 | L220-I259 HydrophobicContact CD1-CD1 4.29Å; L220-I259 HydrophobicContact CD2-CD1 4.2Å; L220-I259 HydrophobicContact CD2-CG1 4.17Å; L220-I259 HydrophobicContact CG-CD1 3.83Å; L220-I259 HydrophobicContact CG-CG1 4.17Å; L234-I259 HydrophobicContact CD1-CB 4.13Å; L234-I259 HydrophobicContact CD1-CD1 4.2Å; L234-I259 HydrophobicContact CD1-CG2 4.01Å; L234-I259 HydrophobicContact CD2-CB 4.5Å; L234-I259 HydrophobicContact CD2-CG2 3.73Å; V255-I259 HydrophobicContact CG1-CD1 4.05Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 WeakPolarHBondContact O-CG1 3.11Å; V255-I259 PolarHBondContact O-N 3Å; S256-I259 PolarHBondContact O-N 3.35Å; I257-I259 PolarHBondContact O-N 3.25Å; I259-L263 HydrophobicContact CG2-CD1 4.38Å; I259-L263 WeakPolarHBondContact O-CA 3.43Å; I259-L263 WeakPolarHBondContact O-CB 3.47Å; I259-L263 PolarHBondContact O-N 3.42Å; I259-L263 VanDerWaalsContact O-N 3.14Å; I259-V264 HydrophobicContact CG2-CG2 4.26Å; I259-V264 PolarHBondContact O-N 2.76Å; I259-I338 HydrophobicContact CG1-CG2 3.75Å |
| 260 | L | 98.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -62.7 | -47.8 | 178.7 | -72.4 | 168.1 | 0 | 0 | 0 | 112 | L234 R244 S256 I257 R258 V264 L265 | L234-L260 HydrophobicContact CD2-CD2 3.56Å; L234-L260 HydrophobicContact CD2-CG 3.97Å; L234-L260 HydrophobicContact CG-CD2 3.94Å; L234-L260 HydrophobicContact CG-CG 4.09Å; R244-L260 HydrophobicContact CB-CD1 3.91Å; R244-L260 HydrophobicContact CG-CD1 4.21Å; S256-L260 WeakPolarHBondContact O-CG 3.44Å; S256-L260 PolarHBondContact O-N 2.88Å; I257-L260 PolarHBondContact O-N 3.5Å; R258-L260 VanDerWaalsContact C-N 3.31Å; R258-L260 PolarHBondContact O-N 2.92Å; L260-V264 HydrophobicContact CD2-CB 4.49Å; L260-V264 HydrophobicContact CD2-CG2 4.35Å; L260-L265 PolarHBondContact O-N 3.32Å |
| 261 | D | 98.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 32% | 0.321 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -79.8 | -39.6 | -171.5 | -69.8 | -17.4 | 0 | 0 | 0 | 113.4 | R244 I257 R258 | R244-D261 IonicContact CZ-OD1 2.73Å; R244-D261 IonicContact CZ-OD2 2.98Å; R244-D261 IonicContact NH1-OD1 3.33Å; R244-D261 PolarHBondContact NH1-OD1 3.43Å; R244-D261 IonicContact NH1-OD2 3.64Å; R244-D261 IonicContact NH2-OD1 3.66Å; R244-D261 PolarHBondContact NH2-OD1 2.71Å; R244-D261 VanDerWaalsContact NH2-OD1 3.17Å; R244-D261 IonicContact NH2-OD2 3.2Å; R244-D261 PolarHBondContact NH2-OD2 2.98Å; I257-D261 PolarHBondContact O-N 2.97Å; R258-D261 PolarHBondContact O-N 3Å |
| 262 | E | 98.6 | Very high | 95.8 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -106.2 | -8.3 | -169.3 | -54.5 | 173 | -140.5 | 0 | 0 | 113 | R258 P266 T334 I338 | R258-E262 WeakPolarHBondContact CG-OE1 3.22Å; R258-E262 IonicContact CZ-OE1 3.8Å; R258-E262 IonicContact CZ-OE2 3.78Å; R258-E262 IonicContact NE-OE1 2.72Å; R258-E262 PolarHBondContact NE-OE1 2.9Å; R258-E262 IonicContact NE-OE2 2.85Å; R258-E262 PolarHBondContact NE-OE2 3.49Å; R258-E262 IonicContact NH2-OE1 3.79Å; R258-E262 IonicContact NH2-OE2 3.74Å; R258-E262 PolarHBondContact NH2-OE2 3.34Å; R258-E262 VanDerWaalsContact O-CB 3.31Å; R258-E262 WeakPolarHBondContact O-CB 3.36Å; R258-E262 PolarHBondContact O-N 2.74Å; E262-P266 WeakPolarHBondContact O-CG 3.48Å; E262-T334 HydrophobicContact CB-CG2 3.56Å; E262-I338 HydrophobicContact CB-CD1 4.09Å |
| 263 | L | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -124.8 | -55.8 | 175.3 | -58.5 | 175.1 | 0 | 0 | 0 | 112.7 | T224 I259 P266 F267 T334 L335 I338 | T224-L263 HydrophobicContact CG2-CB 3.72Å; I259-L263 HydrophobicContact CG2-CD1 4.38Å; I259-L263 WeakPolarHBondContact O-CA 3.43Å; I259-L263 WeakPolarHBondContact O-CB 3.47Å; I259-L263 PolarHBondContact O-N 3.42Å; I259-L263 VanDerWaalsContact O-N 3.14Å; L263-P266 WeakPolarHBondContact O-CD 3.28Å; L263-F267 WeakPolarHBondContact O-CB 3.27Å; L263-F267 WeakPolarHBondContact O-CD2 3.4Å; L263-F267 PolarHBondContact O-N 3.42Å; L263-T334 HydrophobicContact CD2-CG2 4.01Å; L263-L335 HydrophobicContact CD1-CD1 3.79Å; L263-L335 HydrophobicContact CD2-CB 4.16Å; L263-I338 HydrophobicContact CD1-CD1 3.81Å; L263-I338 HydrophobicContact CD2-CD1 4.39Å; L263-I338 HydrophobicContact CG-CD1 3.76Å |
| 264 | V | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -64.9 | -46.8 | -175.7 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | T224 L234 I259 L260 F267 Q268 | T224-V264 HydrophobicContact CG2-CG2 3.93Å; L234-V264 HydrophobicContact CD2-CG2 3.8Å; I259-V264 HydrophobicContact CG2-CG2 4.26Å; I259-V264 PolarHBondContact O-N 2.76Å; L260-V264 HydrophobicContact CD2-CB 4.49Å; L260-V264 HydrophobicContact CD2-CG2 4.35Å; V264-F267 WeakPolarHBondContact O-CB 3.49Å; V264-F267 PolarHBondContact O-N 3.37Å; V264-Q268 HydrophobicContact CG1-CG 4.49Å; V264-Q268 WeakPolarHBondContact O-CG 3.46Å; V264-Q268 PolarHBondContact O-N 3.31Å |
| 265 | L | 98.2 | Very high | 97 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 38% | 0.382 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -52.3 | 175.9 | -84.9 | 177.7 | 0 | 0 | 0 | 112 | L260 F267 Q268 E269 | L260-L265 PolarHBondContact O-N 3.32Å; L265-F267 VanDerWaalsContact C-N 3.3Å; L265-F267 PolarHBondContact O-N 2.89Å; L265-Q268 WeakPolarHBondContact O-CB 3.36Å; L265-Q268 PolarHBondContact O-N 2.98Å; L265-E269 WeakPolarHBondContact O-CG 3.39Å; L265-E269 PolarHBondContact O-N 3.35Å |
| 266 | P | 98.1 | Very high | 97.1 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.1 | -37.9 | 173.6 | -31 | 37.8 | 0 | 0 | 0 | 114.4 | E262 L263 Q268 E269 L270 L331 | E262-P266 WeakPolarHBondContact O-CG 3.48Å; L263-P266 WeakPolarHBondContact O-CD 3.28Å; P266-Q268 VanDerWaalsContact C-N 3.3Å; P266-Q268 PolarHBondContact O-N 3.17Å; P266-E269 PolarHBondContact O-N 2.97Å; P266-L270 VanDerWaalsContact O-CB 3.25Å; P266-L270 WeakPolarHBondContact O-CB 3.31Å; P266-L270 VanDerWaalsContact O-CG 3.26Å; P266-L270 WeakPolarHBondContact O-CG 3.09Å; P266-L270 PolarHBondContact O-N 2.98Å; P266-L331 HydrophobicContact CB-CD2 3.67Å; P266-L331 HydrophobicContact CG-CD2 4.47Å |
| 267 | F | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 174.3 | -96.3 | -120.2 | 0 | 0 | 0 | 112.4 | L221 T224 K225 M228 L263 V264 L265 Q271 I272 Y277 L331 | L221-F267 HydrophobicContact CD1-CE2 4.28Å; L221-F267 HydrophobicContact CD1-CZ 3.61Å; T224-F267 HydrophobicContact CG2-CB 4.21Å; T224-F267 HydrophobicContact CG2-CD1 3.93Å; T224-F267 HydrophobicContact CG2-CD2 3.66Å; T224-F267 HydrophobicContact CG2-CE1 4.21Å; T224-F267 HydrophobicContact CG2-CE2 3.95Å; T224-F267 HydrophobicContact CG2-CG 3.65Å; T224-F267 HydrophobicContact CG2-CZ 4.23Å; K225-F267 HydrophobicContact CB-CE1 4.4Å; M228-F267 HydrophobicContact CB-CB 4.37Å; M228-F267 HydrophobicContact CE-CB 4.47Å; M228-F267 WeakPolarHBondContact CE-O 3.26Å; M228-F267 HydrophobicContact SD-CD1 4.38Å; L263-F267 WeakPolarHBondContact O-CB 3.27Å; L263-F267 WeakPolarHBondContact O-CD2 3.4Å; L263-F267 PolarHBondContact O-N 3.42Å; V264-F267 WeakPolarHBondContact O-CB 3.49Å; V264-F267 PolarHBondContact O-N 3.37Å; L265-F267 VanDerWaalsContact C-N 3.3Å; L265-F267 PolarHBondContact O-N 2.89Å; F267-Q271 WeakPolarHBondContact O-CA 3.47Å; F267-Q271 PolarHBondContact O-N 3.14Å; F267-I272 HydrophobicContact CB-CD1 4.39Å; F267-I272 HydrophobicContact CD1-CB 4.17Å; F267-I272 HydrophobicContact CD1-CD1 3.89Å; F267-I272 HydrophobicContact CD1-CG1 4.4Å; F267-I272 HydrophobicContact CD2-CD1 3.58Å; F267-I272 HydrophobicContact CE1-CB 4.4Å; F267-I272 HydrophobicContact CE1-CD1 3.95Å; F267-I272 HydrophobicContact CE1-CG2 4.37Å; F267-I272 HydrophobicContact CE2-CD1 3.67Å; F267-I272 HydrophobicContact CG-CD1 3.69Å; F267-I272 HydrophobicContact CG-CG1 4.36Å; F267-I272 HydrophobicContact CZ-CD1 3.83Å; F267-I272 PolarHBondContact O-N 3.05Å; F267-Y277 HydrophobicContact CE1-CD2 4.33Å; F267-L331 HydrophobicContact CD2-CD1 4.11Å; F267-L331 HydrophobicContact CE2-CD1 3.79Å |
| 268 | Q | 97.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 39.6 Ų | 39.6 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.7 | -44.7 | 176.7 | -71.9 | 171.1 | -13.3 | 0 | 0 | 111.7 | M228 F230 V264 L265 P266 Q271 | M228-Q268 HydrophobicContact CB-CG 4.25Å; M228-Q268 VanDerWaalsContact O-CG 3.23Å; M228-Q268 WeakPolarHBondContact O-CG 3.25Å; M228-Q268 PolarHBondContact O-NE2 3.01Å; F230-Q268 PolarHBondContact O-NE2 2.78Å; V264-Q268 HydrophobicContact CG1-CG 4.49Å; V264-Q268 WeakPolarHBondContact O-CG 3.46Å; V264-Q268 PolarHBondContact O-N 3.31Å; L265-Q268 WeakPolarHBondContact O-CB 3.36Å; L265-Q268 PolarHBondContact O-N 2.98Å; P266-Q268 VanDerWaalsContact C-N 3.3Å; P266-Q268 PolarHBondContact O-N 3.17Å; Q268-Q271 WeakPolarHBondContact O-CG 3.38Å; Q268-Q271 PolarHBondContact O-N 3.39Å; Q268-Q271 PolarHBondContact O-NE2 3.32Å |
| 269 | E | 95.4 | Very high | 97.2 | Very high | 154 Ų | 154 | 37.2 Ų | 37.2 | 72% | 0.72 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.9 | -43.1 | 179.2 | -70.5 | 177.3 | 172.5 | 0 | 0 | 111.4 | L265 P266 Q271 | L265-E269 WeakPolarHBondContact O-CG 3.39Å; L265-E269 PolarHBondContact O-N 3.35Å; P266-E269 PolarHBondContact O-N 2.97Å; E269-Q271 VanDerWaalsContact C-N 3.29Å; E269-Q271 PolarHBondContact O-N 2.84Å |
| 270 | L | 94.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.5 | 177.8 | -65.2 | 171.7 | 0 | 0 | 0 | 113.1 | P266 I272 R324 E327 L328 L331 | P266-L270 VanDerWaalsContact O-CB 3.25Å; P266-L270 WeakPolarHBondContact O-CB 3.31Å; P266-L270 VanDerWaalsContact O-CG 3.26Å; P266-L270 WeakPolarHBondContact O-CG 3.09Å; P266-L270 PolarHBondContact O-N 2.98Å; L270-I272 HydrophobicContact CB-CD1 4.47Å; L270-I272 HydrophobicContact CB-CG1 3.84Å; L270-I272 HydrophobicContact CD1-CD1 4.37Å; L270-I272 PolarHBondContact O-N 3.33Å; L270-R324 VanDerWaalsContact O-CZ 3.27Å; L270-R324 PolarHBondContact O-NH1 2.96Å; L270-R324 PolarHBondContact O-NH2 3.4Å; L270-E327 HydrophobicContact CD1-CB 4.28Å; L270-E327 HydrophobicContact CD2-CB 4.04Å; L270-E327 VanDerWaalsContact CD2-OE2 3.23Å; L270-E327 WeakPolarHBondContact CD2-OE2 3.47Å; L270-L328 HydrophobicContact CD1-CD2 4.25Å; L270-L331 HydrophobicContact CD1-CD1 4.18Å |
| 271 | Q | 94.8 | Very high | 97.3 | Very high | 137 Ų | 137 | 37 Ų | 37 | 64% | 0.64 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 55.9 | -174.2 | -66.4 | -69.2 | -45.8 | 0 | 0 | 111.6 | F267 Q268 E269 D273 R324 | F267-Q271 WeakPolarHBondContact O-CA 3.47Å; F267-Q271 PolarHBondContact O-N 3.14Å; Q268-Q271 WeakPolarHBondContact O-CG 3.38Å; Q268-Q271 PolarHBondContact O-N 3.39Å; Q268-Q271 PolarHBondContact O-NE2 3.32Å; E269-Q271 VanDerWaalsContact C-N 3.29Å; E269-Q271 PolarHBondContact O-N 2.84Å; Q271-D273 PolarHBondContact O-N 3.35Å; Q271-R324 PolarHBondContact O-NH2 3.46Å |
| 272 | I | 95.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | trans | -64.3 | 120.6 | -175.6 | -57.5 | -175.8 | 0 | 0 | 0 | 110.2 | K225 F267 L270 E276 L328 L331 | K225-I272 PolarHBondContact NZ-O 3.22Å; K225-I272 VanDerWaalsContact NZ-O 3.12Å; F267-I272 HydrophobicContact CB-CD1 4.39Å; F267-I272 HydrophobicContact CD1-CB 4.17Å; F267-I272 HydrophobicContact CD1-CD1 3.89Å; F267-I272 HydrophobicContact CD1-CG1 4.4Å; F267-I272 HydrophobicContact CD2-CD1 3.58Å; F267-I272 HydrophobicContact CE1-CB 4.4Å; F267-I272 HydrophobicContact CE1-CD1 3.95Å; F267-I272 HydrophobicContact CE1-CG2 4.37Å; F267-I272 HydrophobicContact CE2-CD1 3.67Å; F267-I272 HydrophobicContact CG-CD1 3.69Å; F267-I272 HydrophobicContact CG-CG1 4.36Å; F267-I272 HydrophobicContact CZ-CD1 3.83Å; F267-I272 PolarHBondContact O-N 3.05Å; L270-I272 HydrophobicContact CB-CD1 4.47Å; L270-I272 HydrophobicContact CB-CG1 3.84Å; L270-I272 HydrophobicContact CD1-CD1 4.37Å; L270-I272 PolarHBondContact O-N 3.33Å; I272-E276 WeakPolarHBondContact CA-OE2 3.48Å; I272-E276 HydrophobicContact CG2-CB 3.8Å; I272-L328 HydrophobicContact CD1-CD2 3.52Å; I272-L328 HydrophobicContact CG1-CD2 3.68Å; I272-L328 HydrophobicContact CG2-CD2 4.39Å; I272-L331 HydrophobicContact CD1-CD1 3.59Å | ||
| 273 | D | 95.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | trans | -83.5 | 175 | 179.6 | 76.4 | 37.7 | 0 | 0 | 0 | 112.8 | Q271 N275 E276 Y277 Y313 R317 | Q271-D273 PolarHBondContact O-N 3.35Å; D273-N275 VanDerWaalsContact C-N 3.3Å; D273-N275 PolarHBondContact O-N 3.44Å; D273-N275 WeakPolarHBondContact OD1-CA 3.48Å; D273-N275 WeakPolarHBondContact OD1-CB 3.27Å; D273-N275 PolarHBondContact OD1-N 3.29Å; D273-E276 PolarHBondContact N-OE2 3.21Å; D273-E276 PolarHBondContact OD1-N 3Å; D273-Y277 VanDerWaalsContact O-CB 3.31Å; D273-Y277 WeakPolarHBondContact O-CB 3.45Å; D273-Y277 PolarHBondContact O-N 2.87Å; D273-Y313 PolarHBondContact OD2-OH 3.09Å; D273-Y313 VanDerWaalsContact OD2-OH 3.07Å; D273-R317 IonicContact OD2-CZ 3.83Å; D273-R317 IonicContact OD2-NH1 3.25Å; D273-R317 PolarHBondContact OD2-NH1 3.19Å; D273-R317 IonicContact OD2-NH2 2.88Å; D273-R317 PolarHBondContact OD2-NH2 3.37Å | ||
| 274 | D | 96.5 | Very high | 97.3 | Very high | 90 Ų | 90 | 31.7 Ų | 31.7 | 48% | 0.481 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.9 | -26.7 | -175 | -61.8 | -22.2 | 0 | 0 | 0 | 113.1 | L147 K225 A278 | L147-D274 HydrophobicContact CD1-CB 3.69Å; K225-D274 WeakPolarHBondContact CE-OD1 3.4Å; K225-D274 IonicContact NZ-OD1 2.68Å; K225-D274 PolarHBondContact NZ-OD1 3.43Å; D274-A278 VanDerWaalsContact O-CB 3.27Å; D274-A278 WeakPolarHBondContact O-CB 3.36Å; D274-A278 PolarHBondContact O-N 2.7Å |
| 275 | N | 96.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 16% | 0.16 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -74.7 | -44.9 | 177.9 | -61.1 | -86.3 | 0 | 0 | 0 | 110.3 | I143 D273 A278 C279 Y313 | I143-N275 HydrophobicContact CG2-CB 3.77Å; D273-N275 VanDerWaalsContact C-N 3.3Å; D273-N275 PolarHBondContact O-N 3.44Å; D273-N275 WeakPolarHBondContact OD1-CA 3.48Å; D273-N275 WeakPolarHBondContact OD1-CB 3.27Å; D273-N275 PolarHBondContact OD1-N 3.29Å; N275-A278 PolarHBondContact O-N 3.18Å; N275-C279 PolarHBondContact O-N 2.8Å; N275-C279 PolarHBondContact O-SG 3.02Å; N275-Y313 HydrophobicContact CB-CE1 3.96Å; N275-Y313 HydrophobicContact CB-CE2 3.81Å; N275-Y313 VanDerWaalsContact CB-CZ 3.47Å; N275-Y313 WeakPolarHBondContact CB-OH 3.39Å; N275-Y313 VanDerWaalsContact CG-OH 3.29Å; N275-Y313 PolarHBondContact ND2-OH 3.18Å |
| 276 | E | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 176.3 | -67.4 | 170 | 153.7 | 0 | 0 | 110.8 | I272 D273 A278 C279 L280 L310 Y313 R324 L328 | I272-E276 WeakPolarHBondContact CA-OE2 3.48Å; I272-E276 HydrophobicContact CG2-CB 3.8Å; D273-E276 PolarHBondContact N-OE2 3.21Å; D273-E276 PolarHBondContact OD1-N 3Å; E276-A278 PolarHBondContact O-N 3.22Å; E276-C279 PolarHBondContact O-N 3.2Å; E276-L280 WeakPolarHBondContact O-CG 3.32Å; E276-L280 PolarHBondContact O-N 3.15Å; E276-L310 HydrophobicContact CB-CD1 4.35Å; E276-L310 HydrophobicContact CG-CD1 4.08Å; E276-Y313 HydrophobicContact CG-CD1 4.19Å; E276-Y313 HydrophobicContact CG-CE1 3.95Å; E276-R324 VanDerWaalsContact CD-NH2 3.31Å; E276-R324 IonicContact OE1-CZ 2.77Å; E276-R324 IonicContact OE1-NE 3.17Å; E276-R324 PolarHBondContact OE1-NE 3.34Å; E276-R324 IonicContact OE1-NH2 3.61Å; E276-R324 PolarHBondContact OE1-NH2 2.78Å; E276-R324 VanDerWaalsContact OE1-NH2 3.14Å; E276-R324 IonicContact OE2-CZ 3.56Å; E276-R324 IonicContact OE2-NE 3.64Å; E276-R324 IonicContact OE2-NH2 2.76Å; E276-R324 PolarHBondContact OE2-NH2 3.14Å; E276-L328 HydrophobicContact CB-CD1 4.21Å; E276-L328 HydrophobicContact CG-CD1 4.15Å |
| 277 | Y | 98.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 173.8 | 166.7 | -100.2 | 0 | 0 | 0 | 112.1 | E150 L221 K225 F267 D273 C279 L280 K281 | E150-Y277 VanDerWaalsContact CD-CE1 3.48Å; E150-Y277 HydrophobicContact CG-CD1 4.4Å; E150-Y277 HydrophobicContact CG-CE1 3.86Å; E150-Y277 WeakPolarHBondContact OE1-CE1 3.44Å; L221-Y277 HydrophobicContact CD2-CD2 4.49Å; L221-Y277 HydrophobicContact CD2-CE2 4.14Å; L221-Y277 HydrophobicContact CG-CD2 4.27Å; L221-Y277 HydrophobicContact CG-CE2 3.84Å; K225-Y277 HydrophobicContact CB-CD2 3.73Å; K225-Y277 HydrophobicContact CB-CE2 3.43Å; K225-Y277 VanDerWaalsContact CB-CE2 3.43Å; K225-Y277 HydrophobicContact CB-CG 4.47Å; K225-Y277 HydrophobicContact CD-CD1 4.42Å; K225-Y277 HydrophobicContact CD-CD2 3.94Å; K225-Y277 HydrophobicContact CD-CE2 4.42Å; K225-Y277 HydrophobicContact CD-CG 3.94Å; K225-Y277 HydrophobicContact CG-CD1 4.21Å; K225-Y277 HydrophobicContact CG-CD2 3.78Å; K225-Y277 HydrophobicContact CG-CE1 4.19Å; K225-Y277 HydrophobicContact CG-CE2 3.74Å; K225-Y277 HydrophobicContact CG-CG 4.01Å; F267-Y277 HydrophobicContact CE1-CD2 4.33Å; D273-Y277 VanDerWaalsContact O-CB 3.31Å; D273-Y277 WeakPolarHBondContact O-CB 3.45Å; D273-Y277 PolarHBondContact O-N 2.87Å; Y277-C279 VanDerWaalsContact C-N 3.28Å; Y277-C279 PolarHBondContact O-N 3.35Å; Y277-L280 PolarHBondContact O-N 3.3Å; Y277-K281 HydrophobicContact CE1-CD 4.23Å; Y277-K281 WeakPolarHBondContact O-CB 3.5Å; Y277-K281 PolarHBondContact O-N 2.79Å |
| 278 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L146 D274 N275 E276 A282 | L146-A278 HydrophobicContact CB-CB 4.01Å; D274-A278 VanDerWaalsContact O-CB 3.27Å; D274-A278 WeakPolarHBondContact O-CB 3.36Å; D274-A278 PolarHBondContact O-N 2.7Å; N275-A278 PolarHBondContact O-N 3.18Å; E276-A278 PolarHBondContact O-N 3.22Å; A278-A282 WeakPolarHBondContact O-CB 3.15Å; A278-A282 PolarHBondContact O-N 3.15Å |
| 279 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.7 | -47.4 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 112 | N275 E276 Y277 K281 A282 I283 V306 L310 | N275-C279 PolarHBondContact O-N 2.8Å; N275-C279 PolarHBondContact O-SG 3.02Å; E276-C279 PolarHBondContact O-N 3.2Å; Y277-C279 VanDerWaalsContact C-N 3.28Å; Y277-C279 PolarHBondContact O-N 3.35Å; C279-K281 VanDerWaalsContact C-N 3.28Å; C279-K281 PolarHBondContact O-N 3.06Å; C279-A282 PolarHBondContact O-N 3.3Å; C279-A282 VanDerWaalsContact O-N 3.14Å; C279-I283 VanDerWaalsContact O-CG1 3.25Å; C279-I283 WeakPolarHBondContact O-CG1 3.39Å; C279-I283 PolarHBondContact O-N 3.32Å; C279-V306 HydrophobicContact CB-CG1 4.03Å; C279-L310 HydrophobicContact CB-CB 3.99Å; C279-L310 HydrophobicContact CB-CD1 3.86Å; C279-L310 HydrophobicContact CB-CD2 3.98Å; C279-L310 HydrophobicContact CB-CG 4.15Å |
| 280 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 177 | -72.8 | 172.6 | 0 | 0 | 0 | 111.3 | E276 Y277 A282 I283 I284 L328 L329 L332 | E276-L280 WeakPolarHBondContact O-CG 3.32Å; E276-L280 PolarHBondContact O-N 3.15Å; Y277-L280 PolarHBondContact O-N 3.3Å; L280-A282 PolarHBondContact O-N 2.92Å; L280-I283 PolarHBondContact O-N 2.73Å; L280-I284 WeakPolarHBondContact O-CD1 3.44Å; L280-I284 WeakPolarHBondContact O-CG1 3.33Å; L280-I284 PolarHBondContact O-N 2.69Å; L280-L328 HydrophobicContact CD1-CB 4.42Å; L280-L328 HydrophobicContact CD1-CD2 4.28Å; L280-L328 HydrophobicContact CD2-CB 4.21Å; L280-L329 HydrophobicContact CD2-CD2 4.37Å; L280-L332 HydrophobicContact CD2-CD1 3.81Å |
| 281 | K | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 175 | -163.6 | 169.4 | -176.3 | -115.5 | 0 | 111.2 | E150 W192 H218 L221 Y277 C279 I284 F285 | E150-K281 IonicContact OE2-NZ 3.6Å; E150-K281 PolarHBondContact OE2-NZ 3.45Å; W192-K281 HydrophobicContact CH2-CD 4.5Å; W192-K281 HydrophobicContact CH2-CG 3.91Å; W192-K281 HydrophobicContact CZ2-CB 4.23Å; W192-K281 HydrophobicContact CZ2-CD 3.97Å; W192-K281 HydrophobicContact CZ2-CG 3.74Å; H218-K281 PolarHBondContact CE1-O 3.07Å; H218-K281 VanDerWaalsContact CE1-O 3.27Å; H218-K281 WeakPolarHBondContact ND1-CG 3.45Å; L221-K281 HydrophobicContact CD2-CB 4.01Å; L221-K281 HydrophobicContact CD2-CG 4.26Å; Y277-K281 HydrophobicContact CE1-CD 4.23Å; Y277-K281 WeakPolarHBondContact O-CB 3.5Å; Y277-K281 PolarHBondContact O-N 2.79Å; C279-K281 VanDerWaalsContact C-N 3.28Å; C279-K281 PolarHBondContact O-N 3.06Å; K281-I284 PolarHBondContact O-N 2.91Å; K281-F285 WeakPolarHBondContact O-CB 3.29Å; K281-F285 PolarHBondContact O-N 2.84Å |
| 282 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -34.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L146 A278 C279 L280 I284 F285 F286 V306 | L146-A282 HydrophobicContact CD1-CB 3.64Å; L146-A282 HydrophobicContact CD2-CB 3.84Å; L146-A282 HydrophobicContact CG-CB 4.35Å; A278-A282 WeakPolarHBondContact O-CB 3.15Å; A278-A282 PolarHBondContact O-N 3.15Å; C279-A282 PolarHBondContact O-N 3.3Å; C279-A282 VanDerWaalsContact O-N 3.14Å; L280-A282 PolarHBondContact O-N 2.92Å; A282-I284 VanDerWaalsContact C-N 3.34Å; A282-F285 PolarHBondContact O-N 2.87Å; A282-F286 HydrophobicContact CB-CD2 4.31Å; A282-F286 HydrophobicContact CB-CE2 4.34Å; A282-F286 VanDerWaalsContact O-CD2 3.27Å; A282-F286 WeakPolarHBondContact O-CD2 3.31Å; A282-F286 PolarHBondContact O-N 2.73Å; A282-V306 HydrophobicContact CB-CG1 3.99Å; A282-V306 HydrophobicContact CB-CG2 4.23Å |
| 283 | I | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.7 | -71.2 | 165.7 | 0 | 0 | 0 | 110.8 | C279 L280 R303 V306 Q307 L310 L329 L332 | C279-I283 VanDerWaalsContact O-CG1 3.25Å; C279-I283 WeakPolarHBondContact O-CG1 3.39Å; C279-I283 PolarHBondContact O-N 3.32Å; L280-I283 PolarHBondContact O-N 2.73Å; I283-R303 HydrophobicContact CG2-CG 4.31Å; I283-R303 WeakPolarHBondContact O-CD 3.48Å; I283-V306 HydrophobicContact CD1-CG1 4.33Å; I283-V306 HydrophobicContact CG1-CB 4.26Å; I283-V306 HydrophobicContact CG1-CG1 3.76Å; I283-Q307 HydrophobicContact CD1-CG 3.81Å; I283-Q307 HydrophobicContact CG1-CG 3.9Å; I283-Q307 HydrophobicContact CG2-CG 4.49Å; I283-L310 HydrophobicContact CD1-CD2 3.84Å; I283-L329 HydrophobicContact CD1-CD2 4.13Å; I283-L332 HydrophobicContact CG2-CD2 3.98Å |
| 284 | I | 98.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.1 | -43.4 | 175.4 | -67.3 | 159 | 0 | 0 | 0 | 110.3 | H214 E217 L221 L280 K281 A282 L332 L335 | H214-I284 HydrophobicContact CB-CG2 3.67Å; H214-I284 PolarHBondContact CD2-O 3.32Å; E217-I284 HydrophobicContact CB-CG2 4.01Å; L221-I284 HydrophobicContact CD2-CD1 3.85Å; L280-I284 WeakPolarHBondContact O-CD1 3.44Å; L280-I284 WeakPolarHBondContact O-CG1 3.33Å; L280-I284 PolarHBondContact O-N 2.69Å; K281-I284 PolarHBondContact O-N 2.91Å; A282-I284 VanDerWaalsContact C-N 3.34Å; I284-L332 HydrophobicContact CD1-CD1 4.41Å; I284-L332 HydrophobicContact CD1-CG 4.3Å; I284-L332 HydrophobicContact CG1-CD2 4.21Å; I284-L332 HydrophobicContact CG1-CG 4.03Å; I284-L335 HydrophobicContact CD1-CD2 3.54Å |
| 285 | F | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -44 | -175.2 | -172.5 | -112.7 | 0 | 0 | 0 | 113.6 | W192 A193 F199 L210 L211 H218 K281 A282 D287 | W192-F285 HydrophobicContact CH2-CB 3.8Å; W192-F285 HydrophobicContact CH2-CD1 4.12Å; W192-F285 HydrophobicContact CH2-CD2 4.44Å; W192-F285 AromaticContact CH2-CG 3.88Å; W192-F285 HydrophobicContact CH2-CG 3.88Å; W192-F285 HydrophobicContact CZ3-CB 3.97Å; W192-F285 AromaticContact CZ3-CD1 3.88Å; W192-F285 HydrophobicContact CZ3-CD1 3.88Å; W192-F285 AromaticContact CZ3-CD2 3.74Å; W192-F285 HydrophobicContact CZ3-CD2 3.74Å; W192-F285 HydrophobicContact CZ3-CE1 4.27Å; W192-F285 HydrophobicContact CZ3-CE2 4.15Å; W192-F285 AromaticContact CZ3-CG 3.59Å; W192-F285 HydrophobicContact CZ3-CG 3.59Å; W192-F285 HydrophobicContact CZ3-CZ 4.39Å; A193-F285 HydrophobicContact CB-CE1 4.15Å; A193-F285 HydrophobicContact CB-CE2 4.31Å; A193-F285 HydrophobicContact CB-CZ 3.63Å; F199-F285 AromaticContact CD2-CE1 3.53Å; F199-F285 HydrophobicContact CD2-CE1 3.53Å; F199-F285 AromaticContact CD2-CZ 3.63Å; F199-F285 HydrophobicContact CD2-CZ 3.63Å; F199-F285 AromaticContact CE2-CE1 3.99Å; F199-F285 HydrophobicContact CE2-CE1 3.99Å; F199-F285 AromaticContact CE2-CZ 3.57Å; F199-F285 HydrophobicContact CE2-CZ 3.57Å; F199-F285 HydrophobicContact CG-CE1 4.22Å; F199-F285 HydrophobicContact CG-CZ 4.48Å; F199-F285 HydrophobicContact CZ-CZ 4.4Å; L210-F285 HydrophobicContact CB-CE1 4.47Å; L210-F285 HydrophobicContact CB-CE2 4.27Å; L210-F285 HydrophobicContact CB-CZ 4.12Å; L210-F285 WeakPolarHBondContact CD2-O 3.45Å; L211-F285 HydrophobicContact CD2-CE2 3.93Å; L211-F285 HydrophobicContact CD2-CZ 4.24Å; L211-F285 HydrophobicContact CG-CE2 4.26Å; L211-F285 HydrophobicContact CG-CZ 4.36Å; H218-F285 AromaticContact NE2-CD2 3.54Å; K281-F285 WeakPolarHBondContact O-CB 3.29Å; K281-F285 PolarHBondContact O-N 2.84Å; A282-F285 PolarHBondContact O-N 2.87Å; F285-D287 PolarHBondContact O-N 2.63Å |
| 286 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -83.3 | 59.4 | -179.4 | -67.7 | -60.2 | 0 | 0 | 0 | 111.7 | I196 L210 A282 P288 I299 L302 R303 | I196-F286 HydrophobicContact CG2-CZ 4.1Å; L210-F286 HydrophobicContact CD1-CD1 4.28Å; A282-F286 HydrophobicContact CB-CD2 4.31Å; A282-F286 HydrophobicContact CB-CE2 4.34Å; A282-F286 VanDerWaalsContact O-CD2 3.27Å; A282-F286 WeakPolarHBondContact O-CD2 3.31Å; A282-F286 PolarHBondContact O-N 2.73Å; F286-P288 WeakPolarHBondContact O-CD 3.44Å; F286-I299 HydrophobicContact CB-CG2 3.99Å; F286-I299 WeakPolarHBondContact O-CG2 3.46Å; F286-L302 HydrophobicContact CD1-CB 4.32Å; F286-L302 HydrophobicContact CD1-CD1 4.06Å; F286-L302 HydrophobicContact CD2-CB 4.44Å; F286-L302 HydrophobicContact CE1-CD1 3.96Å; F286-L302 HydrophobicContact CG-CB 4.19Å; F286-R303 HydrophobicContact CB-CB 4.04Å; F286-R303 WeakPolarHBondContact O-CB 3.29Å; F286-R303 WeakPolarHBondContact O-CD 3.45Å |
| 287 | D | 98.4 | Very high | 97.7 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | trans | -81 | 113 | 176.1 | -176.2 | 40.3 | 0 | 0 | 0 | 111.9 | H214 F285 D289 A290 L293 R303 | H214-D287 WeakPolarHBondContact NE2-CB 3.44Å; H214-D287 IonicContact NE2-OD2 2.71Å; H214-D287 PolarHBondContact NE2-OD2 3.31Å; F285-D287 PolarHBondContact O-N 2.63Å; D287-D289 PolarHBondContact O-N 3.12Å; D287-D289 PolarHBondContact OD1-N 2.88Å; D287-D289 VanDerWaalsContact OD2-C 3.29Å; D287-D289 PolarHBondContact OD2-N 3.13Å; D287-A290 WeakPolarHBondContact O-CB 3.46Å; D287-A290 PolarHBondContact O-N 2.84Å; D287-A290 PolarHBondContact OD2-N 3.24Å; D287-L293 WeakPolarHBondContact O-CD1 3.46Å; D287-R303 IonicContact OD1-CZ 3.14Å; D287-R303 IonicContact OD1-NH1 3.81Å; D287-R303 PolarHBondContact OD1-NH1 2.72Å | ||
| 288 | P | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.065 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13 | 175.7 | 33.6 | -35.3 | 0 | 0 | 0 | 112.8 | F286 A290 P296 I299 K300 R303 | F286-P288 WeakPolarHBondContact O-CD 3.44Å; P288-A290 VanDerWaalsContact C-N 3.3Å; P288-P296 HydrophobicContact CB-CB 4.42Å; P288-P296 VanDerWaalsContact CB-O 3.27Å; P288-P296 WeakPolarHBondContact CB-O 3.39Å; P288-P296 WeakPolarHBondContact O-CB 3.29Å; P288-I299 HydrophobicContact CB-CB 4.24Å; P288-I299 HydrophobicContact CB-CG2 4.33Å; P288-K300 HydrophobicContact CB-CB 3.84Å; P288-K300 HydrophobicContact CG-CB 4.04Å; P288-K300 HydrophobicContact CG-CG 4.45Å; P288-R303 VanDerWaalsContact CD-NH1 3.26Å; P288-R303 VanDerWaalsContact CG-NH2 3.26Å |
| 289 | D | 97.8 | Very high | 97.5 | Very high | 127 Ų | 127 | 37.3 Ų | 37.3 | 68% | 0.679 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.3 | 178.7 | -57.8 | -49.8 | 0 | 0 | 0 | 111.9 | D287 K291 | D287-D289 PolarHBondContact O-N 3.12Å; D287-D289 PolarHBondContact OD1-N 2.88Å; D287-D289 VanDerWaalsContact OD2-C 3.29Å; D287-D289 PolarHBondContact OD2-N 3.13Å; D289-K291 PolarHBondContact O-N 3.44Å |
| 290 | A | 97.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | trans | -59.5 | 129.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L210 A213 D287 P288 G292 L293 | L210-A290 HydrophobicContact CD2-CB 4.2Å; A213-A290 HydrophobicContact CB-CB 3.67Å; D287-A290 WeakPolarHBondContact O-CB 3.46Å; D287-A290 PolarHBondContact O-N 2.84Å; D287-A290 PolarHBondContact OD2-N 3.24Å; P288-A290 VanDerWaalsContact C-N 3.3Å; A290-G292 PolarHBondContact O-N 2.99Å; A290-L293 HydrophobicContact CB-CD1 3.82Å; A290-L293 HydrophobicContact CB-CG 4.03Å; A290-L293 WeakPolarHBondContact O-CG 3.23Å | ||
| 291 | K | 95.1 | Very high | 97.3 | Very high | 200 Ų | 200 | 50.3 Ų | 50.3 | 87% | 0.87 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 131.4 | -177.8 | -66.6 | -178.4 | -178.8 | 177 | 0 | 110.8 | D289 | D289-K291 PolarHBondContact O-N 3.44Š|
| 292 | G | 93.5 | Very high | 97.2 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 67% | 0.67 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | 3.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A290 | A290-G292 PolarHBondContact O-N 2.99Š|
| 293 | L | 97.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | trans | -67.9 | 137.5 | 175.8 | -71.7 | 176.7 | 0 | 0 | 0 | 113.1 | D206 A209 L210 D287 A290 P296 I299 | D206-L293 HydrophobicContact CB-CD2 3.93Å; D206-L293 WeakPolarHBondContact OD1-CA 3.46Å; A209-L293 HydrophobicContact CB-CD2 4.11Å; A209-L293 HydrophobicContact CB-CG 4.47Å; L210-L293 HydrophobicContact CD2-CD1 4.36Å; L210-L293 HydrophobicContact CD2-CD2 4.05Å; L210-L293 HydrophobicContact CG-CD2 4.11Å; D287-L293 WeakPolarHBondContact O-CD1 3.46Å; A290-L293 HydrophobicContact CB-CD1 3.82Å; A290-L293 HydrophobicContact CB-CG 4.03Å; A290-L293 WeakPolarHBondContact O-CG 3.23Å; L293-P296 HydrophobicContact CB-CG 4.07Å; L293-I299 HydrophobicContact CD1-CB 4.39Å; L293-I299 HydrophobicContact CD1-CG1 3.94Å; L293-I299 HydrophobicContact CD2-CG1 4.12Å | ||
| 294 | S | 97.6 | Very high | 97 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -78.7 | -44.6 | 176.7 | 75 | 0 | 0 | 0 | 0 | 113 | D206 | D206-S294 WeakPolarHBondContact OD1-CB 3.44Å; D206-S294 PolarHBondContact OD1-N 3.19Å; D206-S294 PolarHBondContact OD1-OG 2.88Å; D206-S294 PolarHBondContact OD2-OG 3.49Å |
| 295 | D | 96.2 | Very high | 96.8 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | trans | -129.3 | 82.8 | 174.2 | -177.7 | 3.6 | 0 | 0 | 0 | 111.3 | G297 K298 I299 R301 | D295-G297 PolarHBondContact O-N 3.02Å; D295-G297 VanDerWaalsContact O-N 3.13Å; D295-G297 VanDerWaalsContact OD1-CA 3.27Å; D295-G297 WeakPolarHBondContact OD1-CA 3.31Å; D295-G297 PolarHBondContact OD1-N 3.44Å; D295-K298 HydrophobicContact CB-CB 4.19Å; D295-K298 PolarHBondContact O-N 3.21Å; D295-K298 VanDerWaalsContact O-N 3.12Å; D295-K298 PolarHBondContact OD1-N 3.44Å; D295-K298 WeakPolarHBondContact OD2-CB 3.32Å; D295-I299 PolarHBondContact O-N 3.13Å; D295-R301 IonicContact OD2-NH2 3.12Å | ||
| 296 | P | 97.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 38% | 0.377 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -52.6 | -29.7 | 170.8 | -30.3 | 37.8 | 0 | 0 | 0 | 113.9 | P288 L293 I299 K300 | P288-P296 HydrophobicContact CB-CB 4.42Å; P288-P296 VanDerWaalsContact CB-O 3.27Å; P288-P296 WeakPolarHBondContact CB-O 3.39Å; P288-P296 WeakPolarHBondContact O-CB 3.29Å; L293-P296 HydrophobicContact CB-CG 4.07Å; P296-I299 PolarHBondContact O-N 3.39Å; P296-K300 WeakPolarHBondContact O-CB 3.24Å; P296-K300 PolarHBondContact O-N 3.3Å |
| 297 | G | 96.9 | Very high | 96.6 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D295 K300 R301 | D295-G297 PolarHBondContact O-N 3.02Å; D295-G297 VanDerWaalsContact O-N 3.13Å; D295-G297 VanDerWaalsContact OD1-CA 3.27Å; D295-G297 WeakPolarHBondContact OD1-CA 3.31Å; D295-G297 PolarHBondContact OD1-N 3.44Å; G297-K300 PolarHBondContact O-N 3.25Å; G297-R301 VanDerWaalsContact C-NH1 3.33Å; G297-R301 WeakPolarHBondContact O-CG 3.45Å; G297-R301 PolarHBondContact O-N 2.95Å; G297-R301 VanDerWaalsContact O-N 3.12Å; G297-R301 PolarHBondContact O-NH1 3.05Å |
| 298 | K | 95.8 | Very high | 96.3 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 173.7 | -177.5 | 176 | -179.8 | -178.5 | 0 | 111.1 | L202 D295 K300 R301 L302 | L202-K298 HydrophobicContact CD2-CD 3.93Å; D295-K298 HydrophobicContact CB-CB 4.19Å; D295-K298 PolarHBondContact O-N 3.21Å; D295-K298 VanDerWaalsContact O-N 3.12Å; D295-K298 PolarHBondContact OD1-N 3.44Å; D295-K298 WeakPolarHBondContact OD2-CB 3.32Å; K298-K300 VanDerWaalsContact C-N 3.33Å; K298-K300 PolarHBondContact O-N 3.3Å; K298-R301 VanDerWaalsContact CA-NH2 3.28Å; K298-R301 PolarHBondContact O-N 3.36Å; K298-L302 PolarHBondContact O-N 3.07Å; K298-L302 VanDerWaalsContact O-N 3.1Å |
| 299 | I | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 179.7 | -54.5 | -49 | 0 | 0 | 0 | 111.1 | L202 L210 F286 P288 L293 D295 P296 R301 L302 R303 | L202-I299 HydrophobicContact CD1-CD1 3.76Å; L202-I299 HydrophobicContact CD2-CD1 3.88Å; L210-I299 HydrophobicContact CD1-CD1 4Å; L210-I299 HydrophobicContact CD2-CG2 4.03Å; F286-I299 HydrophobicContact CB-CG2 3.99Å; F286-I299 WeakPolarHBondContact O-CG2 3.46Å; P288-I299 HydrophobicContact CB-CB 4.24Å; P288-I299 HydrophobicContact CB-CG2 4.33Å; L293-I299 HydrophobicContact CD1-CB 4.39Å; L293-I299 HydrophobicContact CD1-CG1 3.94Å; L293-I299 HydrophobicContact CD2-CG1 4.12Å; D295-I299 PolarHBondContact O-N 3.13Å; P296-I299 PolarHBondContact O-N 3.39Å; I299-R301 VanDerWaalsContact C-N 3.31Å; I299-R301 PolarHBondContact O-N 3.35Å; I299-L302 HydrophobicContact CD1-CD1 4.32Å; I299-L302 WeakPolarHBondContact O-CB 3.48Å; I299-L302 PolarHBondContact O-N 2.99Å; I299-R303 PolarHBondContact O-N 3.4Å |
| 300 | K | 97.3 | Very high | 95.9 | Very high | 129 Ų | 129 | 56 Ų | 56 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.2 | -40.7 | 175.9 | -175.1 | 173.5 | -180 | 173.5 | 0 | 112.4 | P288 P296 G297 K298 S304 | P288-K300 HydrophobicContact CB-CB 3.84Å; P288-K300 HydrophobicContact CG-CB 4.04Å; P288-K300 HydrophobicContact CG-CG 4.45Å; P296-K300 WeakPolarHBondContact O-CB 3.24Å; P296-K300 PolarHBondContact O-N 3.3Å; G297-K300 PolarHBondContact O-N 3.25Å; K298-K300 VanDerWaalsContact C-N 3.33Å; K298-K300 PolarHBondContact O-N 3.3Å; K300-S304 WeakPolarHBondContact O-CB 3.47Å; K300-S304 PolarHBondContact O-N 3.32Å; K300-S304 PolarHBondContact O-OG 2.87Å |
| 301 | R | 95.2 | Very high | 95.7 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 54% | 0.543 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.2 | -72.9 | -175.6 | -64.4 | -85.5 | 4.2 | 111.5 | D295 G297 K298 I299 S304 Q305 | D295-R301 IonicContact OD2-NH2 3.12Å; G297-R301 VanDerWaalsContact C-NH1 3.33Å; G297-R301 WeakPolarHBondContact O-CG 3.45Å; G297-R301 PolarHBondContact O-N 2.95Å; G297-R301 VanDerWaalsContact O-N 3.12Å; G297-R301 PolarHBondContact O-NH1 3.05Å; K298-R301 VanDerWaalsContact CA-NH2 3.28Å; K298-R301 PolarHBondContact O-N 3.36Å; I299-R301 VanDerWaalsContact C-N 3.31Å; I299-R301 PolarHBondContact O-N 3.35Å; R301-S304 PolarHBondContact O-N 3.19Å; R301-Q305 PolarHBondContact O-N 3.36Å |
| 302 | L | 96.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 175.4 | -66.8 | 173.4 | 0 | 0 | 0 | 111.3 | L140 P141 A198 F286 K298 I299 S304 Q305 V306 | L140-L302 HydrophobicContact CD2-CD2 4.1Å; P141-L302 HydrophobicContact CG-CD2 4.32Å; A198-L302 HydrophobicContact CB-CD1 4.3Å; A198-L302 HydrophobicContact CB-CD2 3.89Å; F286-L302 HydrophobicContact CD1-CB 4.32Å; F286-L302 HydrophobicContact CD1-CD1 4.06Å; F286-L302 HydrophobicContact CD2-CB 4.44Å; F286-L302 HydrophobicContact CE1-CD1 3.96Å; F286-L302 HydrophobicContact CG-CB 4.19Å; K298-L302 PolarHBondContact O-N 3.07Å; K298-L302 VanDerWaalsContact O-N 3.1Å; I299-L302 HydrophobicContact CD1-CD1 4.32Å; I299-L302 WeakPolarHBondContact O-CB 3.48Å; I299-L302 PolarHBondContact O-N 2.99Å; L302-S304 PolarHBondContact O-N 3.35Å; L302-Q305 PolarHBondContact O-N 2.66Å; L302-V306 WeakPolarHBondContact O-CG2 3.36Å; L302-V306 PolarHBondContact O-N 3.27Å; L302-V306 VanDerWaalsContact O-N 3.14Å |
| 303 | R | 97.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 53 Ų | 53 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 177.3 | -174.8 | 166.8 | 71.2 | -173.1 | 0.7 | 112.6 | I283 F286 D287 P288 I299 Q305 V306 Q307 | I283-R303 HydrophobicContact CG2-CG 4.31Å; I283-R303 WeakPolarHBondContact O-CD 3.48Å; F286-R303 HydrophobicContact CB-CB 4.04Å; F286-R303 WeakPolarHBondContact O-CB 3.29Å; F286-R303 WeakPolarHBondContact O-CD 3.45Å; D287-R303 IonicContact OD1-CZ 3.14Å; D287-R303 IonicContact OD1-NH1 3.81Å; D287-R303 PolarHBondContact OD1-NH1 2.72Å; P288-R303 VanDerWaalsContact CD-NH1 3.26Å; P288-R303 VanDerWaalsContact CG-NH2 3.26Å; I299-R303 PolarHBondContact O-N 3.4Å; R303-Q305 VanDerWaalsContact C-N 3.29Å; R303-Q305 PolarHBondContact O-N 2.79Å; R303-V306 PolarHBondContact O-N 3.34Å; R303-Q307 WeakPolarHBondContact O-CG 3.47Å; R303-Q307 PolarHBondContact O-N 3.23Å |
| 304 | S | 95.3 | Very high | 95 | Very high | 46 Ų | 46 | 52 Ų | 52 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 179.6 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | K300 R301 L302 Q307 V308 | K300-S304 WeakPolarHBondContact O-CB 3.47Å; K300-S304 PolarHBondContact O-N 3.32Å; K300-S304 PolarHBondContact O-OG 2.87Å; R301-S304 PolarHBondContact O-N 3.19Å; L302-S304 PolarHBondContact O-N 3.35Å; S304-Q307 PolarHBondContact O-N 3.35Å; S304-V308 WeakPolarHBondContact O-CG2 3.36Å; S304-V308 PolarHBondContact O-N 3.03Å |
| 305 | Q | 94.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.7 | -177.3 | 63.2 | 31.5 | 0 | 0 | 112.3 | L140 R301 L302 R303 Q307 V308 S309 | L140-Q305 HydrophobicContact CB-CG 4.01Å; L140-Q305 HydrophobicContact CD1-CG 3.91Å; L140-Q305 HydrophobicContact CD2-CB 4.37Å; L140-Q305 HydrophobicContact CD2-CG 4.34Å; L140-Q305 HydrophobicContact CG-CG 4.3Å; R301-Q305 PolarHBondContact O-N 3.36Å; L302-Q305 PolarHBondContact O-N 2.66Å; R303-Q305 VanDerWaalsContact C-N 3.29Å; R303-Q305 PolarHBondContact O-N 2.79Å; Q305-Q307 VanDerWaalsContact C-N 3.32Å; Q305-Q307 PolarHBondContact O-N 3.48Å; Q305-V308 PolarHBondContact O-N 3.19Å; Q305-S309 WeakPolarHBondContact O-CB 3.42Å; Q305-S309 PolarHBondContact O-N 3.46Å; Q305-S309 PolarHBondContact O-OG 3.15Å |
| 306 | V | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | P141 L146 C279 A282 I283 L302 R303 S309 L310 | P141-V306 HydrophobicContact CG-CG2 3.9Å; L146-V306 HydrophobicContact CD1-CG1 4.03Å; L146-V306 HydrophobicContact CD1-CG2 4.2Å; C279-V306 HydrophobicContact CB-CG1 4.03Å; A282-V306 HydrophobicContact CB-CG1 3.99Å; A282-V306 HydrophobicContact CB-CG2 4.23Å; I283-V306 HydrophobicContact CD1-CG1 4.33Å; I283-V306 HydrophobicContact CG1-CB 4.26Å; I283-V306 HydrophobicContact CG1-CG1 3.76Å; L302-V306 WeakPolarHBondContact O-CG2 3.36Å; L302-V306 PolarHBondContact O-N 3.27Å; L302-V306 VanDerWaalsContact O-N 3.14Å; R303-V306 PolarHBondContact O-N 3.34Å; V306-S309 PolarHBondContact O-N 2.94Å; V306-L310 WeakPolarHBondContact O-CB 3.44Å; V306-L310 PolarHBondContact O-N 3.41Å |
| 307 | Q | 95.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.2 | -71.5 | 172.2 | -25.7 | 0 | 0 | 112.1 | I283 R303 S304 Q305 S309 L310 E311 F325 | I283-Q307 HydrophobicContact CD1-CG 3.81Å; I283-Q307 HydrophobicContact CG1-CG 3.9Å; I283-Q307 HydrophobicContact CG2-CG 4.49Å; R303-Q307 WeakPolarHBondContact O-CG 3.47Å; R303-Q307 PolarHBondContact O-N 3.23Å; S304-Q307 PolarHBondContact O-N 3.35Å; Q305-Q307 VanDerWaalsContact C-N 3.32Å; Q305-Q307 PolarHBondContact O-N 3.48Å; Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 3.06Å; Q307-L310 PolarHBondContact O-N 3.48Å; Q307-E311 PolarHBondContact O-N 3.41Å; Q307-F325 HydrophobicContact CB-CZ 4.44Å |
| 308 | V | 93.1 | Very high | 91 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | S304 Q305 L310 E311 D312 | S304-V308 WeakPolarHBondContact O-CG2 3.36Å; S304-V308 PolarHBondContact O-N 3.03Å; Q305-V308 PolarHBondContact O-N 3.19Å; V308-L310 VanDerWaalsContact C-N 3.33Å; V308-L310 PolarHBondContact O-N 3.26Å; V308-E311 PolarHBondContact O-N 3.43Å; V308-D312 PolarHBondContact O-N 3.31Å |
| 309 | S | 93.2 | Very high | 89.4 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.4 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | I143 Q305 V306 Q307 D312 Y313 | I143-S309 WeakPolarHBondContact CD1-O 3.31Å; Q305-S309 WeakPolarHBondContact O-CB 3.42Å; Q305-S309 PolarHBondContact O-N 3.46Å; Q305-S309 PolarHBondContact O-OG 3.15Å; V306-S309 PolarHBondContact O-N 2.94Å; Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 3.06Å; S309-D312 PolarHBondContact O-N 3.08Å; S309-Y313 VanDerWaalsContact O-CB 3.31Å; S309-Y313 WeakPolarHBondContact O-CB 3.38Å; S309-Y313 PolarHBondContact O-N 3.37Å |
| 310 | L | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.5 | 177.9 | 59.6 | 0 | 0 | 0 | 111.7 | E276 C279 I283 V306 Q307 V308 Y313 I314 F325 L328 | E276-L310 HydrophobicContact CB-CD1 4.35Å; E276-L310 HydrophobicContact CG-CD1 4.08Å; C279-L310 HydrophobicContact CB-CB 3.99Å; C279-L310 HydrophobicContact CB-CD1 3.86Å; C279-L310 HydrophobicContact CB-CD2 3.98Å; C279-L310 HydrophobicContact CB-CG 4.15Å; I283-L310 HydrophobicContact CD1-CD2 3.84Å; V306-L310 WeakPolarHBondContact O-CB 3.44Å; V306-L310 PolarHBondContact O-N 3.41Å; Q307-L310 PolarHBondContact O-N 3.48Å; V308-L310 VanDerWaalsContact C-N 3.33Å; V308-L310 PolarHBondContact O-N 3.26Å; L310-Y313 WeakPolarHBondContact O-CB 3.4Å; L310-Y313 PolarHBondContact O-N 3.21Å; L310-I314 HydrophobicContact CD1-CD1 3.89Å; L310-I314 HydrophobicContact CD1-CG1 4.25Å; L310-I314 HydrophobicContact CG-CD1 3.94Å; L310-I314 WeakPolarHBondContact O-CD1 3.47Å; L310-I314 VanDerWaalsContact O-CG1 3.28Å; L310-I314 WeakPolarHBondContact O-CG1 3.39Å; L310-I314 PolarHBondContact O-N 3.43Å; L310-F325 HydrophobicContact CB-CE2 4.3Å; L310-F325 HydrophobicContact CD2-CD2 4.24Å; L310-F325 HydrophobicContact CD2-CE2 4.09Å; L310-F325 HydrophobicContact CG-CD2 4.1Å; L310-F325 HydrophobicContact CG-CE2 4.13Å; L310-L328 HydrophobicContact CD1-CD1 4.43Å |
| 311 | E | 92.3 | Very high | 86.7 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 175.8 | -179.5 | 171.4 | -157.8 | 0 | 0 | 111.3 | Q307 V308 Y313 I314 N315 F325 | Q307-E311 PolarHBondContact O-N 3.41Å; V308-E311 PolarHBondContact O-N 3.43Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; E311-Y313 PolarHBondContact O-N 2.87Å; E311-I314 PolarHBondContact O-N 3.06Å; E311-N315 WeakPolarHBondContact CG-ND2 3.31Å; E311-N315 WeakPolarHBondContact O-CB 3.39Å; E311-N315 PolarHBondContact O-N 2.68Å; E311-N315 PolarHBondContact O-ND2 3.24Å; E311-N315 VanDerWaalsContact O-ND2 3.08Å; E311-F325 HydrophobicContact CB-CD2 4.09Å; E311-F325 HydrophobicContact CB-CE2 3.99Å; E311-F325 HydrophobicContact CB-CG 4.48Å; E311-F325 HydrophobicContact CB-CZ 4.3Å |
| 312 | D | 90.1 | Very high | 86.1 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.8 | -78.6 | -21.1 | 0 | 0 | 0 | 112 | V308 S309 I314 N315 D316 | V308-D312 PolarHBondContact O-N 3.31Å; S309-D312 PolarHBondContact O-N 3.08Å; D312-I314 VanDerWaalsContact C-N 3.34Å; D312-I314 PolarHBondContact O-N 3.26Å; D312-N315 PolarHBondContact O-N 3.38Å; D312-D316 PolarHBondContact O-N 3.47Å |
| 313 | Y | 90.3 | Very high | 85.7 | Confident | 45 Ų | 45 | 77 Ų | 77 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 177.1 | -179 | -94.3 | 0 | 0 | 0 | 112.4 | I143 D273 N275 E276 S309 L310 E311 R317 | I143-Y313 HydrophobicContact CD1-CD2 3.89Å; I143-Y313 HydrophobicContact CD1-CG 3.94Å; D273-Y313 PolarHBondContact OD2-OH 3.09Å; D273-Y313 VanDerWaalsContact OD2-OH 3.07Å; N275-Y313 HydrophobicContact CB-CE1 3.96Å; N275-Y313 HydrophobicContact CB-CE2 3.81Å; N275-Y313 VanDerWaalsContact CB-CZ 3.47Å; N275-Y313 WeakPolarHBondContact CB-OH 3.39Å; N275-Y313 VanDerWaalsContact CG-OH 3.29Å; N275-Y313 PolarHBondContact ND2-OH 3.18Å; E276-Y313 HydrophobicContact CG-CD1 4.19Å; E276-Y313 HydrophobicContact CG-CE1 3.95Å; S309-Y313 VanDerWaalsContact O-CB 3.31Å; S309-Y313 WeakPolarHBondContact O-CB 3.38Å; S309-Y313 PolarHBondContact O-N 3.37Å; L310-Y313 WeakPolarHBondContact O-CB 3.4Å; L310-Y313 PolarHBondContact O-N 3.21Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; E311-Y313 PolarHBondContact O-N 2.87Å; Y313-R317 PolarHBondContact OH-NH2 2.91Å |
| 314 | I | 90.7 | Very high | 85.5 | Confident | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 178.1 | -69.8 | 165.7 | 0 | 0 | 0 | 110.3 | L310 E311 D312 D316 R317 S321 R324 F325 L328 | L310-I314 HydrophobicContact CD1-CD1 3.89Å; L310-I314 HydrophobicContact CD1-CG1 4.25Å; L310-I314 HydrophobicContact CG-CD1 3.94Å; L310-I314 WeakPolarHBondContact O-CD1 3.47Å; L310-I314 VanDerWaalsContact O-CG1 3.28Å; L310-I314 WeakPolarHBondContact O-CG1 3.39Å; L310-I314 PolarHBondContact O-N 3.43Å; E311-I314 PolarHBondContact O-N 3.06Å; D312-I314 VanDerWaalsContact C-N 3.34Å; D312-I314 PolarHBondContact O-N 3.26Å; I314-D316 VanDerWaalsContact C-N 3.26Å; I314-D316 PolarHBondContact O-N 3.05Å; I314-R317 WeakPolarHBondContact O-CB 3.5Å; I314-R317 PolarHBondContact O-N 3Å; I314-S321 VanDerWaalsContact O-CB 3.22Å; I314-S321 WeakPolarHBondContact O-CB 3.35Å; I314-R324 HydrophobicContact CD1-CG 4.5Å; I314-R324 HydrophobicContact CG2-CB 3.98Å; I314-R324 HydrophobicContact CG2-CG 4.26Å; I314-F325 HydrophobicContact CD1-CB 3.9Å; I314-F325 HydrophobicContact CD1-CD2 3.98Å; I314-F325 HydrophobicContact CD1-CG 4.46Å; I314-L328 HydrophobicContact CD1-CD1 3.69Å |
| 315 | N | 86.6 | Confident | 85.5 | Confident | 72 Ų | 72 | 76 Ų | 76 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -26 | -177.3 | -76.2 | -33 | 0 | 0 | 0 | 113.6 | E311 D312 R317 | E311-N315 WeakPolarHBondContact CG-ND2 3.31Å; E311-N315 WeakPolarHBondContact O-CB 3.39Å; E311-N315 PolarHBondContact O-N 2.68Å; E311-N315 PolarHBondContact O-ND2 3.24Å; E311-N315 VanDerWaalsContact O-ND2 3.08Å; D312-N315 PolarHBondContact O-N 3.38Å; N315-R317 PolarHBondContact O-N 3.26Å |
| 316 | D | 83.2 | Confident | 85.5 | Confident | 92 Ų | 92 | 75.1 Ų | 75.1 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.9 | 173.6 | -77.3 | -10.9 | 0 | 0 | 0 | 112.8 | R132 D312 I314 Q318 | R132-D316 IonicContact CZ-OD1 3.04Å; R132-D316 IonicContact CZ-OD2 3.87Å; R132-D316 IonicContact NH1-OD1 2.79Å; R132-D316 PolarHBondContact NH1-OD1 3.41Å; R132-D316 IonicContact NH1-OD2 3.15Å; R132-D316 PolarHBondContact NH1-OD2 2.69Å; R132-D316 VanDerWaalsContact NH1-OD2 3.15Å; R132-D316 IonicContact NH2-OD1 2.66Å; R132-D316 PolarHBondContact NH2-OD1 3.2Å; D312-D316 PolarHBondContact O-N 3.47Å; I314-D316 VanDerWaalsContact C-N 3.26Å; I314-D316 PolarHBondContact O-N 3.05Å; D316-Q318 PolarHBondContact O-N 3.42Å |
| 317 | R | 77.9 | Confident | 85.5 | Confident | 119 Ų | 119 | 79.9 Ų | 79.9 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -95.8 | 64.4 | 174.2 | -60.5 | -176.7 | 176.7 | -172.6 | 2.2 | 111.5 | D273 Y313 I314 N315 Y319 D320 S321 | D273-R317 IonicContact OD2-CZ 3.83Å; D273-R317 IonicContact OD2-NH1 3.25Å; D273-R317 PolarHBondContact OD2-NH1 3.19Å; D273-R317 IonicContact OD2-NH2 2.88Å; D273-R317 PolarHBondContact OD2-NH2 3.37Å; Y313-R317 PolarHBondContact OH-NH2 2.91Å; I314-R317 WeakPolarHBondContact O-CB 3.5Å; I314-R317 PolarHBondContact O-N 3Å; N315-R317 PolarHBondContact O-N 3.26Å; R317-Y319 PolarHBondContact O-N 2.88Å; R317-D320 PolarHBondContact O-N 3.13Å; R317-D320 VanDerWaalsContact O-N 3.15Å; R317-S321 PolarHBondContact O-N 2.96Å |
| 318 | Q | 57.4 | Low | 85.6 | Confident | 151 Ų | 151 | 77.1 Ų | 77.1 | 71% | 0.706 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -17.4 | -166.9 | -65.4 | -173.6 | -22.9 | 0 | 0 | 118 | D316 | D316-Q318 PolarHBondContact O-N 3.42Š|
| 319 | Y | 61.3 | Low | 85.8 | Confident | 218 Ų | 218 | 76 Ų | 76 | 86% | 0.855 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -17.7 | -175 | -61.5 | -75.1 | 0 | 0 | 0 | 114.6 | R317 | R317-Y319 PolarHBondContact O-N 2.88Š|
| 320 | D | 68.3 | Low | 86 | Confident | 136 Ų | 136 | 81 Ų | 81 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 6.1 | -179.9 | -93.5 | -24.1 | 0 | 0 | 0 | 113.3 | R317 | R317-D320 PolarHBondContact O-N 3.13Å; R317-D320 VanDerWaalsContact O-N 3.15Å |
| 321 | S | 70.8 | Confident | 86.2 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 16% | 0.161 | 40% | 0.396 | C | S | . | . | trans | -82.7 | -19.9 | -167.2 | 61.9 | 0 | 0 | 0 | 0 | 115.3 | I314 R317 G323 R324 | I314-S321 VanDerWaalsContact O-CB 3.22Å; I314-S321 WeakPolarHBondContact O-CB 3.35Å; R317-S321 PolarHBondContact O-N 2.96Å; S321-G323 PolarHBondContact O-N 3.36Å; S321-G323 VanDerWaalsContact O-N 3.09Å; S321-R324 PolarHBondContact O-N 3.26Å | ||
| 322 | R | 83.8 | Confident | 86.5 | Confident | 249 Ų | 249 | 79.8 Ų | 79.8 | 94% | 0.94 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 111 | -172.3 | -173.3 | -177.9 | 178.2 | 113.2 | 0.9 | 110.8 | R324 | R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 3.46Å |
| 323 | G | 87.4 | Confident | 86.9 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 46% | 0.464 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -20 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S321 F325 G326 E327 | S321-G323 PolarHBondContact O-N 3.36Å; S321-G323 VanDerWaalsContact O-N 3.09Å; G323-F325 PolarHBondContact O-N 3.05Å; G323-G326 WeakPolarHBondContact O-CA 3.28Å; G323-G326 PolarHBondContact O-N 3.33Å; G323-E327 PolarHBondContact O-N 3.1Å |
| 324 | R | 93.4 | Very high | 87.3 | Confident | 31 Ų | 31 | 79.3 Ų | 79.3 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.2 | -44.1 | -176 | -175.4 | 176.3 | -175.3 | 79 | 0.9 | 113.8 | L270 Q271 E276 I314 S321 R322 G326 E327 L328 | L270-R324 VanDerWaalsContact O-CZ 3.27Å; L270-R324 PolarHBondContact O-NH1 2.96Å; L270-R324 PolarHBondContact O-NH2 3.4Å; Q271-R324 PolarHBondContact O-NH2 3.46Å; E276-R324 VanDerWaalsContact CD-NH2 3.31Å; E276-R324 IonicContact OE1-CZ 2.77Å; E276-R324 IonicContact OE1-NE 3.17Å; E276-R324 PolarHBondContact OE1-NE 3.34Å; E276-R324 IonicContact OE1-NH2 3.61Å; E276-R324 PolarHBondContact OE1-NH2 2.78Å; E276-R324 VanDerWaalsContact OE1-NH2 3.14Å; E276-R324 IonicContact OE2-CZ 3.56Å; E276-R324 IonicContact OE2-NE 3.64Å; E276-R324 IonicContact OE2-NH2 2.76Å; E276-R324 PolarHBondContact OE2-NH2 3.14Å; I314-R324 HydrophobicContact CD1-CG 4.5Å; I314-R324 HydrophobicContact CG2-CB 3.98Å; I314-R324 HydrophobicContact CG2-CG 4.26Å; S321-R324 PolarHBondContact O-N 3.26Å; R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 3.46Å; R324-G326 VanDerWaalsContact C-N 3.28Å; R324-G326 PolarHBondContact O-N 3.26Å; R324-E327 PolarHBondContact O-N 3.37Å; R324-L328 HydrophobicContact CG-CD1 4.43Å; R324-L328 HydrophobicContact CG-CG 4.46Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 3.35Å |
| 325 | F | 94.7 | Very high | 87.7 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 176.8 | 179.8 | -108.7 | 0 | 0 | 0 | 111.9 | Q307 L310 E311 I314 G323 L329 | Q307-F325 HydrophobicContact CB-CZ 4.44Å; L310-F325 HydrophobicContact CB-CE2 4.3Å; L310-F325 HydrophobicContact CD2-CD2 4.24Å; L310-F325 HydrophobicContact CD2-CE2 4.09Å; L310-F325 HydrophobicContact CG-CD2 4.1Å; L310-F325 HydrophobicContact CG-CE2 4.13Å; E311-F325 HydrophobicContact CB-CD2 4.09Å; E311-F325 HydrophobicContact CB-CE2 3.99Å; E311-F325 HydrophobicContact CB-CG 4.48Å; E311-F325 HydrophobicContact CB-CZ 4.3Å; I314-F325 HydrophobicContact CD1-CB 3.9Å; I314-F325 HydrophobicContact CD1-CD2 3.98Å; I314-F325 HydrophobicContact CD1-CG 4.46Å; G323-F325 PolarHBondContact O-N 3.05Å; F325-L329 HydrophobicContact CD1-CD1 4.15Å; F325-L329 HydrophobicContact CE1-CD1 3.55Å; F325-L329 HydrophobicContact CE1-CG 4.47Å; F325-L329 HydrophobicContact CE2-CD1 4.16Å; F325-L329 HydrophobicContact CE2-CG 4.44Å; F325-L329 HydrophobicContact CZ-CD1 3.57Å; F325-L329 HydrophobicContact CZ-CG 4.32Å; F325-L329 WeakPolarHBondContact O-CG 3.43Å; F325-L329 PolarHBondContact O-N 3.03Å |
| 326 | G | 95.4 | Very high | 88.2 | Confident | 32 Ų | 32 | 80 Ų | 80 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G323 R324 L328 L329 L330 | G323-G326 WeakPolarHBondContact O-CA 3.28Å; G323-G326 PolarHBondContact O-N 3.33Å; R324-G326 VanDerWaalsContact C-N 3.28Å; R324-G326 PolarHBondContact O-N 3.26Å; G326-L328 VanDerWaalsContact C-N 3.35Å; G326-L328 PolarHBondContact O-N 3.38Å; G326-L329 PolarHBondContact O-N 3.19Å; G326-L330 WeakPolarHBondContact O-CB 3.41Å; G326-L330 VanDerWaalsContact O-CG 3.23Å; G326-L330 WeakPolarHBondContact O-CG 3.3Å; G326-L330 PolarHBondContact O-N 3.42Å |
| 327 | E | 95.6 | Very high | 89 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 178.3 | -68.9 | 179 | 150.7 | 0 | 0 | 112.2 | L270 G323 R324 L330 | L270-E327 HydrophobicContact CD1-CB 4.28Å; L270-E327 HydrophobicContact CD2-CB 4.04Å; L270-E327 VanDerWaalsContact CD2-OE2 3.23Å; L270-E327 WeakPolarHBondContact CD2-OE2 3.47Å; G323-E327 PolarHBondContact O-N 3.1Å; R324-E327 PolarHBondContact O-N 3.37Å; E327-L330 PolarHBondContact O-N 3.12Å |
| 328 | L | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176 | -68 | 178.9 | 0 | 0 | 0 | 112.2 | L270 I272 E276 L280 L310 I314 R324 G326 L330 L331 | L270-L328 HydrophobicContact CD1-CD2 4.25Å; I272-L328 HydrophobicContact CD1-CD2 3.52Å; I272-L328 HydrophobicContact CG1-CD2 3.68Å; I272-L328 HydrophobicContact CG2-CD2 4.39Å; E276-L328 HydrophobicContact CB-CD1 4.21Å; E276-L328 HydrophobicContact CG-CD1 4.15Å; L280-L328 HydrophobicContact CD1-CB 4.42Å; L280-L328 HydrophobicContact CD1-CD2 4.28Å; L280-L328 HydrophobicContact CD2-CB 4.21Å; L310-L328 HydrophobicContact CD1-CD1 4.43Å; I314-L328 HydrophobicContact CD1-CD1 3.69Å; R324-L328 HydrophobicContact CG-CD1 4.43Å; R324-L328 HydrophobicContact CG-CG 4.46Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 3.35Å; G326-L328 VanDerWaalsContact C-N 3.35Å; G326-L328 PolarHBondContact O-N 3.38Å; L328-L330 VanDerWaalsContact C-N 3.32Å; L328-L330 PolarHBondContact O-N 3.05Å; L328-L331 HydrophobicContact CD2-CD1 4.46Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 PolarHBondContact O-N 3.5Å |
| 329 | L | 97.7 | Very high | 91.9 | Very high | 45 Ų | 45 | 65.4 Ų | 65.4 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70 | -29.5 | 178.9 | -67.5 | -173.6 | 0 | 0 | 0 | 112.8 | L280 I283 F325 G326 L331 L332 | L280-L329 HydrophobicContact CD2-CD2 4.37Å; I283-L329 HydrophobicContact CD1-CD2 4.13Å; F325-L329 HydrophobicContact CD1-CD1 4.15Å; F325-L329 HydrophobicContact CE1-CD1 3.55Å; F325-L329 HydrophobicContact CE1-CG 4.47Å; F325-L329 HydrophobicContact CE2-CD1 4.16Å; F325-L329 HydrophobicContact CE2-CG 4.44Å; F325-L329 HydrophobicContact CZ-CD1 3.57Å; F325-L329 HydrophobicContact CZ-CG 4.32Å; F325-L329 WeakPolarHBondContact O-CG 3.43Å; F325-L329 PolarHBondContact O-N 3.03Å; G326-L329 PolarHBondContact O-N 3.19Å; L329-L331 PolarHBondContact O-N 3.5Å; L329-L332 WeakPolarHBondContact O-CB 3.49Å; L329-L332 PolarHBondContact O-N 2.92Å; L329-L332 VanDerWaalsContact O-N 3.15Å |
| 330 | L | 98.3 | Very high | 93.6 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 64% | 0.644 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.6 | 176.7 | -73.6 | 171 | 0 | 0 | 0 | 113.5 | G326 E327 L328 P333 | G326-L330 WeakPolarHBondContact O-CB 3.41Å; G326-L330 VanDerWaalsContact O-CG 3.23Å; G326-L330 WeakPolarHBondContact O-CG 3.3Å; G326-L330 PolarHBondContact O-N 3.42Å; E327-L330 PolarHBondContact O-N 3.12Å; L328-L330 VanDerWaalsContact C-N 3.32Å; L328-L330 PolarHBondContact O-N 3.05Å; L330-P333 WeakPolarHBondContact O-CD 3.31Å |
| 331 | L | 98.3 | Very high | 95 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.4 | -26.8 | 169.2 | -58.6 | 171.7 | 0 | 0 | 0 | 112.4 | P266 F267 L270 I272 L328 L329 T334 L335 | P266-L331 HydrophobicContact CB-CD2 3.67Å; P266-L331 HydrophobicContact CG-CD2 4.47Å; F267-L331 HydrophobicContact CD2-CD1 4.11Å; F267-L331 HydrophobicContact CE2-CD1 3.79Å; L270-L331 HydrophobicContact CD1-CD1 4.18Å; I272-L331 HydrophobicContact CD1-CD1 3.59Å; L328-L331 HydrophobicContact CD2-CD1 4.46Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 PolarHBondContact O-N 3.5Å; L329-L331 PolarHBondContact O-N 3.5Å; L331-T334 PolarHBondContact O-N 2.87Å; L331-L335 WeakPolarHBondContact O-CB 3.36Å; L331-L335 PolarHBondContact O-N 3.3Å |
| 332 | L | 98.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -45.5 | -174.5 | -85.9 | 55.3 | 0 | 0 | 0 | 113.2 | L280 I283 I284 L329 T334 L335 Q336 | L280-L332 HydrophobicContact CD2-CD1 3.81Å; I283-L332 HydrophobicContact CG2-CD2 3.98Å; I284-L332 HydrophobicContact CD1-CD1 4.41Å; I284-L332 HydrophobicContact CD1-CG 4.3Å; I284-L332 HydrophobicContact CG1-CD2 4.21Å; I284-L332 HydrophobicContact CG1-CG 4.03Å; L329-L332 WeakPolarHBondContact O-CB 3.49Å; L329-L332 PolarHBondContact O-N 2.92Å; L329-L332 VanDerWaalsContact O-N 3.15Å; L332-T334 VanDerWaalsContact C-N 3.32Å; L332-T334 PolarHBondContact O-N 3.18Å; L332-L335 WeakPolarHBondContact O-CB 3.47Å; L332-L335 PolarHBondContact O-N 3.37Å; L332-Q336 WeakPolarHBondContact O-CB 3.2Å; L332-Q336 PolarHBondContact O-N 3.41Å |
| 333 | P | 98.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 49% | 0.494 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 176.1 | -25.9 | 35 | 0 | 0 | 0 | 113.1 | L330 Q336 S337 | L330-P333 WeakPolarHBondContact O-CD 3.31Å; P333-Q336 PolarHBondContact O-N 3.43Å; P333-S337 WeakPolarHBondContact O-CB 3.25Å; P333-S337 PolarHBondContact O-N 3.2Å |
| 334 | T | 98.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 50 Ų | 50 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 111 | E262 L263 L331 L332 Q336 S337 I338 | E262-T334 HydrophobicContact CB-CG2 3.56Å; L263-T334 HydrophobicContact CD2-CG2 4.01Å; L331-T334 PolarHBondContact O-N 2.87Å; L332-T334 VanDerWaalsContact C-N 3.32Å; L332-T334 PolarHBondContact O-N 3.18Å; T334-Q336 VanDerWaalsContact C-N 3.29Å; T334-Q336 PolarHBondContact O-N 2.7Å; T334-S337 WeakPolarHBondContact O-CB 3.25Å; T334-S337 PolarHBondContact O-N 2.9Å; T334-S337 VanDerWaalsContact O-N 3.17Å; T334-I338 HydrophobicContact CG2-CD1 3.83Å; T334-I338 WeakPolarHBondContact O-CG1 3.48Å; T334-I338 PolarHBondContact O-N 2.92Å |
| 335 | L | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 175.8 | 177.6 | 64.2 | 0 | 0 | 0 | 112 | E217 L220 L221 L263 I284 L331 L332 T339 | E217-L335 HydrophobicContact CB-CD2 3.92Å; E217-L335 HydrophobicContact CB-CG 4.02Å; E217-L335 HydrophobicContact CG-CD2 4.41Å; E217-L335 HydrophobicContact CG-CG 4.15Å; L220-L335 HydrophobicContact CB-CD1 3.53Å; L220-L335 HydrophobicContact CD2-CD1 4.4Å; L221-L335 HydrophobicContact CB-CD2 4.21Å; L221-L335 HydrophobicContact CD1-CD2 4.17Å; L263-L335 HydrophobicContact CD1-CD1 3.79Å; L263-L335 HydrophobicContact CD2-CB 4.16Å; I284-L335 HydrophobicContact CD1-CD2 3.54Å; L331-L335 WeakPolarHBondContact O-CB 3.36Å; L331-L335 PolarHBondContact O-N 3.3Å; L332-L335 WeakPolarHBondContact O-CB 3.47Å; L332-L335 PolarHBondContact O-N 3.37Å; L335-T339 WeakPolarHBondContact O-CB 3.5Å; L335-T339 PolarHBondContact O-N 3.46Å; L335-T339 PolarHBondContact O-OG1 3.29Å |
| 336 | Q | 98.3 | Very high | 97 | Very high | 84 Ų | 84 | 48 Ų | 48 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 176.7 | -167.3 | 179.2 | 27.7 | 0 | 0 | 110.8 | L332 P333 T334 I338 T339 W340 | L332-Q336 WeakPolarHBondContact O-CB 3.2Å; L332-Q336 PolarHBondContact O-N 3.41Å; P333-Q336 PolarHBondContact O-N 3.43Å; T334-Q336 VanDerWaalsContact C-N 3.29Å; T334-Q336 PolarHBondContact O-N 2.7Å; Q336-I338 VanDerWaalsContact C-N 3.34Å; Q336-I338 PolarHBondContact O-N 3.46Å; Q336-T339 WeakPolarHBondContact O-CB 3.41Å; Q336-T339 PolarHBondContact O-N 3.04Å; Q336-W340 PolarHBondContact O-N 3.47Å |
| 337 | S | 98.6 | Very high | 96.8 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.7 | -45.7 | 178 | 174.6 | 0 | 0 | 0 | 0 | 112.7 | R258 P333 T334 Q341 | R258-S337 PolarHBondContact NH1-OG 3.42Å; R258-S337 PolarHBondContact NH2-OG 3.23Å; P333-S337 WeakPolarHBondContact O-CB 3.25Å; P333-S337 PolarHBondContact O-N 3.2Å; T334-S337 WeakPolarHBondContact O-CB 3.25Å; T334-S337 PolarHBondContact O-N 2.9Å; T334-S337 VanDerWaalsContact O-N 3.17Å; S337-Q341 PolarHBondContact O-N 2.95Å |
| 338 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.5 | -37.7 | -179.6 | -57.7 | 165.5 | 0 | 0 | 0 | 110.4 | L220 V255 R258 I259 E262 L263 T334 Q336 W340 Q341 M342 | L220-I338 HydrophobicContact CD2-CB 3.91Å; L220-I338 HydrophobicContact CD2-CG2 3.58Å; V255-I338 HydrophobicContact CG1-CG2 4.02Å; R258-I338 HydrophobicContact CB-CD1 4.16Å; R258-I338 HydrophobicContact CB-CG1 4.12Å; R258-I338 HydrophobicContact CB-CG2 4.31Å; I259-I338 HydrophobicContact CG1-CG2 3.75Å; E262-I338 HydrophobicContact CB-CD1 4.09Å; L263-I338 HydrophobicContact CD1-CD1 3.81Å; L263-I338 HydrophobicContact CD2-CD1 4.39Å; L263-I338 HydrophobicContact CG-CD1 3.76Å; T334-I338 HydrophobicContact CG2-CD1 3.83Å; T334-I338 WeakPolarHBondContact O-CG1 3.48Å; T334-I338 PolarHBondContact O-N 2.92Å; Q336-I338 VanDerWaalsContact C-N 3.34Å; Q336-I338 PolarHBondContact O-N 3.46Å; I338-W340 PolarHBondContact O-N 3.24Å; I338-Q341 PolarHBondContact O-N 2.95Å; I338-M342 PolarHBondContact O-N 3.28Å |
| 339 | T | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 174.7 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | E217 L335 Q336 Q341 M342 I343 | E217-T339 WeakPolarHBondContact CA-OG1 3.3Å; E217-T339 HydrophobicContact CG-CG2 4.27Å; L335-T339 WeakPolarHBondContact O-CB 3.5Å; L335-T339 PolarHBondContact O-N 3.46Å; L335-T339 PolarHBondContact O-OG1 3.29Å; Q336-T339 WeakPolarHBondContact O-CB 3.41Å; Q336-T339 PolarHBondContact O-N 3.04Å; T339-Q341 VanDerWaalsContact C-N 3.34Å; T339-Q341 PolarHBondContact O-N 3Å; T339-M342 HydrophobicContact CG2-CE 4.44Å; T339-M342 WeakPolarHBondContact O-CB 3.46Å; T339-M342 PolarHBondContact O-N 3.06Å; T339-I343 HydrophobicContact CG2-CD1 3.8Å; T339-I343 HydrophobicContact CG2-CG1 4.32Å; T339-I343 WeakPolarHBondContact O-CG1 3.16Å; T339-I343 PolarHBondContact O-N 3.19Å |
| 340 | W | 96.8 | Very high | 95.9 | Very high | 170 Ų | 170 | 53.9 Ų | 53.9 | 64% | 0.644 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.5 | -46.5 | 176.2 | -81.7 | 106.8 | 0 | 0 | 0 | 112.1 | Q336 I338 M342 I343 E344 | Q336-W340 PolarHBondContact O-N 3.47Å; I338-W340 PolarHBondContact O-N 3.24Å; W340-M342 VanDerWaalsContact C-N 3.33Å; W340-M342 PolarHBondContact O-N 3.21Å; W340-I343 PolarHBondContact O-N 3.4Å; W340-E344 PolarHBondContact O-N 3.5Å |
| 341 | Q | 97.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 176.4 | -170.2 | -179.9 | -4.9 | 0 | 0 | 111.3 | V255 S337 I338 T339 E344 Q345 | V255-Q341 HydrophobicContact CG2-CG 4.1Å; S337-Q341 PolarHBondContact O-N 2.95Å; I338-Q341 PolarHBondContact O-N 2.95Å; T339-Q341 VanDerWaalsContact C-N 3.34Å; T339-Q341 PolarHBondContact O-N 3Å; Q341-E344 PolarHBondContact O-N 2.93Å; Q341-Q345 WeakPolarHBondContact O-CG 3.43Å; Q341-Q345 PolarHBondContact O-N 3.45Å |
| 342 | M | 96.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 174.9 | -177 | -167.6 | 59.4 | 0 | 0 | 111.4 | M182 L220 M252 V255 I338 T339 W340 E344 Q345 I346 | M182-M342 HydrophobicContact CE-CE 3.71Å; M182-M342 HydrophobicContact CE-SD 3.62Å; M182-M342 HydrophobicContact SD-SD 4.44Å; L220-M342 HydrophobicContact CD1-CE 3.64Å; L220-M342 HydrophobicContact CD1-SD 3.27Å; L220-M342 WeakPolarHBondContact CD1-SD 3.42Å; M252-M342 HydrophobicContact CE-CG 4.47Å; V255-M342 HydrophobicContact CG1-CB 3.86Å; V255-M342 HydrophobicContact CG1-CG 4.29Å; I338-M342 PolarHBondContact O-N 3.28Å; T339-M342 HydrophobicContact CG2-CE 4.44Å; T339-M342 WeakPolarHBondContact O-CB 3.46Å; T339-M342 PolarHBondContact O-N 3.06Å; W340-M342 VanDerWaalsContact C-N 3.33Å; W340-M342 PolarHBondContact O-N 3.21Å; M342-E344 VanDerWaalsContact C-N 3.29Å; M342-E344 PolarHBondContact O-N 3.25Å; M342-Q345 PolarHBondContact O-N 3.12Å; M342-I346 HydrophobicContact CE-CD1 4.41Å; M342-I346 HydrophobicContact CG-CD1 3.8Å; M342-I346 HydrophobicContact CG-CG1 4.41Å; M342-I346 WeakPolarHBondContact O-CG1 3.11Å; M342-I346 PolarHBondContact O-N 2.88Å; M342-I346 HydrophobicContact SD-CD1 4.16Å |
| 343 | I | 95.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 61 Ų | 61 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | -179.5 | -71.3 | 170.8 | 0 | 0 | 0 | 110.2 | T339 W340 Q345 I346 Q347 L366 | T339-I343 HydrophobicContact CG2-CD1 3.8Å; T339-I343 HydrophobicContact CG2-CG1 4.32Å; T339-I343 WeakPolarHBondContact O-CG1 3.16Å; T339-I343 PolarHBondContact O-N 3.19Å; W340-I343 PolarHBondContact O-N 3.4Å; I343-Q345 PolarHBondContact O-N 3.2Å; I343-I346 PolarHBondContact O-N 3.08Å; I343-Q347 WeakPolarHBondContact O-CG 3.41Å; I343-Q347 PolarHBondContact O-N 2.78Å; I343-L366 HydrophobicContact CG2-CD2 4.01Å |
| 344 | E | 94.1 | Very high | 93.9 | Very high | 101 Ų | 101 | 63.2 Ų | 63.2 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 175.4 | -178.5 | 179.9 | -149.3 | 0 | 0 | 111.8 | W340 Q341 M342 I346 Q347 F348 | W340-E344 PolarHBondContact O-N 3.5Å; Q341-E344 PolarHBondContact O-N 2.93Å; M342-E344 VanDerWaalsContact C-N 3.29Å; M342-E344 PolarHBondContact O-N 3.25Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.29Å; E344-Q347 WeakPolarHBondContact O-CB 3.28Å; E344-Q347 PolarHBondContact O-N 2.93Å; E344-F348 HydrophobicContact CG-CD2 4.08Å; E344-F348 HydrophobicContact CG-CE2 3.71Å; E344-F348 VanDerWaalsContact O-CD2 3.24Å; E344-F348 WeakPolarHBondContact O-CD2 3.08Å; E344-F348 PolarHBondContact O-N 2.96Å; E344-F348 VanDerWaalsContact O-N 3.08Å |
| 345 | Q | 92.6 | Very high | 93.3 | Very high | 35 Ų | 35 | 62 Ų | 62 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 177.6 | -63.9 | -50.2 | -60 | 0 | 0 | 112.4 | M252 V255 Q341 M342 I343 Q347 F348 I349 | M252-Q345 HydrophobicContact CG-CB 4.35Å; M252-Q345 HydrophobicContact SD-CB 3.25Å; M252-Q345 WeakPolarHBondContact SD-CB 3.41Å; M252-Q345 HydrophobicContact SD-CG 4Å; V255-Q345 HydrophobicContact CG2-CG 3.98Å; Q341-Q345 WeakPolarHBondContact O-CG 3.43Å; Q341-Q345 PolarHBondContact O-N 3.45Å; M342-Q345 PolarHBondContact O-N 3.12Å; I343-Q345 PolarHBondContact O-N 3.2Å; Q345-Q347 VanDerWaalsContact C-N 3.33Å; Q345-Q347 PolarHBondContact O-N 3.41Å; Q345-F348 PolarHBondContact O-N 2.89Å; Q345-I349 WeakPolarHBondContact O-CG1 3.29Å; Q345-I349 PolarHBondContact O-N 3.32Å |
| 346 | I | 92.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 176 | -66.2 | 169.8 | 0 | 0 | 0 | 111 | M182 M342 I343 E344 F348 I349 K350 I357 L366 | M182-I346 HydrophobicContact CE-CD1 3.47Å; M182-I346 VanDerWaalsContact CE-CD1 3.47Å; M182-I346 HydrophobicContact SD-CD1 3.73Å; M342-I346 HydrophobicContact CE-CD1 4.41Å; M342-I346 HydrophobicContact CG-CD1 3.8Å; M342-I346 HydrophobicContact CG-CG1 4.41Å; M342-I346 WeakPolarHBondContact O-CG1 3.11Å; M342-I346 PolarHBondContact O-N 2.88Å; M342-I346 HydrophobicContact SD-CD1 4.16Å; I343-I346 PolarHBondContact O-N 3.08Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.29Å; I346-F348 VanDerWaalsContact C-N 3.33Å; I346-F348 PolarHBondContact O-N 2.92Å; I346-I349 PolarHBondContact O-N 2.73Å; I346-K350 WeakPolarHBondContact O-CB 3.44Å; I346-K350 PolarHBondContact O-N 3.43Å; I346-I357 HydrophobicContact CG2-CD1 4.02Å; I346-L366 HydrophobicContact CB-CD2 4.36Å; I346-L366 HydrophobicContact CG2-CD1 4.08Å; I346-L366 HydrophobicContact CG2-CD2 3.96Å; I346-L366 HydrophobicContact CG2-CG 4.44Å |
| 347 | Q | 92.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 68.2 Ų | 68.2 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 173.7 | -71.1 | 178.3 | 18.3 | 0 | 0 | 111.6 | I343 E344 Q345 K350 L351 L366 | I343-Q347 WeakPolarHBondContact O-CG 3.41Å; I343-Q347 PolarHBondContact O-N 2.78Å; E344-Q347 WeakPolarHBondContact O-CB 3.28Å; E344-Q347 PolarHBondContact O-N 2.93Å; Q345-Q347 VanDerWaalsContact C-N 3.33Å; Q345-Q347 PolarHBondContact O-N 3.41Å; Q347-K350 PolarHBondContact O-N 3.42Å; Q347-L351 WeakPolarHBondContact O-CB 3.25Å; Q347-L351 PolarHBondContact O-N 3.19Å; Q347-L366 HydrophobicContact CG-CD2 3.79Å |
| 348 | F | 91.5 | Very high | 92.1 | Very high | 91 Ų | 91 | 68 Ų | 68 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 174.2 | -78.2 | -63.4 | 0 | 0 | 0 | 112.3 | E344 Q345 I346 K350 L351 F352 | E344-F348 HydrophobicContact CG-CD2 4.08Å; E344-F348 HydrophobicContact CG-CE2 3.71Å; E344-F348 VanDerWaalsContact O-CD2 3.24Å; E344-F348 WeakPolarHBondContact O-CD2 3.08Å; E344-F348 PolarHBondContact O-N 2.96Å; E344-F348 VanDerWaalsContact O-N 3.08Å; Q345-F348 PolarHBondContact O-N 2.89Å; I346-F348 VanDerWaalsContact C-N 3.33Å; I346-F348 PolarHBondContact O-N 2.92Å; F348-K350 PolarHBondContact O-N 3.46Å; F348-L351 PolarHBondContact O-N 3.2Å; F348-L351 VanDerWaalsContact O-N 3.12Å; F348-F352 HydrophobicContact CB-CD2 4.47Å; F348-F352 HydrophobicContact CD1-CD2 4.46Å; F348-F352 AromaticContact CD1-CE2 3.85Å; F348-F352 HydrophobicContact CD1-CE2 3.85Å; F348-F352 VanDerWaalsContact O-CD2 3.25Å; F348-F352 WeakPolarHBondContact O-CD2 3.49Å; F348-F352 PolarHBondContact O-N 3.48Å |
| 349 | I | 88.8 | Confident | 91.8 | Very high | 10 Ų | 10 | 73.9 Ų | 73.9 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.3 | -44 | 176.1 | -73.9 | 164.5 | 0 | 0 | 0 | 110.7 | I175 M252 Q345 I346 G353 M354 A355 | I175-I349 HydrophobicContact CD1-CD1 4.5Å; I175-I349 HydrophobicContact CG2-CD1 3.89Å; I175-I349 HydrophobicContact CG2-CG1 4.5Å; I175-I349 HydrophobicContact CG2-CG2 3.93Å; M252-I349 HydrophobicContact CG-CD1 3.64Å; M252-I349 HydrophobicContact SD-CD1 3.99Å; Q345-I349 WeakPolarHBondContact O-CG1 3.29Å; Q345-I349 PolarHBondContact O-N 3.32Å; I346-I349 PolarHBondContact O-N 2.73Å; I349-G353 PolarHBondContact O-N 3.46Å; I349-M354 HydrophobicContact CG2-CB 4.08Å; I349-M354 PolarHBondContact O-N 3.38Å; I349-A355 HydrophobicContact CG2-CB 3.75Å |
| 350 | K | 90.2 | Very high | 91.6 | Very high | 100 Ų | 100 | 75.5 Ų | 75.5 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 175.8 | -173.6 | -177 | 173.3 | -177.5 | 0 | 111.7 | I346 Q347 F348 F352 G353 I357 L366 | I346-K350 WeakPolarHBondContact O-CB 3.44Å; I346-K350 PolarHBondContact O-N 3.43Å; Q347-K350 PolarHBondContact O-N 3.42Å; F348-K350 PolarHBondContact O-N 3.46Å; K350-F352 VanDerWaalsContact C-N 3.34Å; K350-F352 PolarHBondContact O-N 3.33Å; K350-G353 PolarHBondContact O-N 2.86Å; K350-G353 VanDerWaalsContact O-N 3.15Å; K350-I357 HydrophobicContact CB-CG1 3.78Å; K350-I357 HydrophobicContact CD-CG1 4.26Å; K350-I357 HydrophobicContact CG-CG1 3.92Å; K350-L366 HydrophobicContact CD-CD1 4Å |
| 351 | L | 91.2 | Very high | 91.4 | Very high | 133 Ų | 133 | 67.5 Ų | 67.5 | 70% | 0.696 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | -175.2 | -177.6 | 63.3 | 0 | 0 | 0 | 112.3 | Q347 F348 G353 | Q347-L351 WeakPolarHBondContact O-CB 3.25Å; Q347-L351 PolarHBondContact O-N 3.19Å; F348-L351 PolarHBondContact O-N 3.2Å; F348-L351 VanDerWaalsContact O-N 3.12Å; L351-G353 VanDerWaalsContact C-N 3.31Å |
| 352 | F | 89.9 | Confident | 91.2 | Very high | 137 Ų | 137 | 67 Ų | 67 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.2 | 178 | -69.3 | -69.6 | 0 | 0 | 0 | 113.8 | F348 K350 M354 | F348-F352 HydrophobicContact CB-CD2 4.47Å; F348-F352 HydrophobicContact CD1-CD2 4.46Å; F348-F352 AromaticContact CD1-CE2 3.85Å; F348-F352 HydrophobicContact CD1-CE2 3.85Å; F348-F352 VanDerWaalsContact O-CD2 3.25Å; F348-F352 WeakPolarHBondContact O-CD2 3.49Å; F348-F352 PolarHBondContact O-N 3.48Å; K350-F352 VanDerWaalsContact C-N 3.34Å; K350-F352 PolarHBondContact O-N 3.33Å; F352-M354 VanDerWaalsContact C-N 3.25Å; F352-M354 HydrophobicContact CB-CE 3.95Å; F352-M354 HydrophobicContact CB-CG 4.05Å; F352-M354 HydrophobicContact CG-CE 4.37Å; F352-M354 PolarHBondContact O-N 2.94Å |
| 353 | G | 86.6 | Confident | 90.9 | Very high | 62 Ų | 62 | 71 Ų | 71 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 26.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | I349 K350 L351 A355 | I349-G353 PolarHBondContact O-N 3.46Å; K350-G353 PolarHBondContact O-N 2.86Å; K350-G353 VanDerWaalsContact O-N 3.15Å; L351-G353 VanDerWaalsContact C-N 3.31Å; G353-A355 VanDerWaalsContact C-N 3.33Å |
| 354 | M | 85.5 | Confident | 90.9 | Very high | 122 Ų | 122 | 70.7 Ų | 70.7 | 60% | 0.601 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -72.2 | -27.7 | -178.1 | -65.8 | -176.8 | -178.6 | 0 | 0 | 112.5 | I349 F352 | I349-M354 HydrophobicContact CG2-CB 4.08Å; I349-M354 PolarHBondContact O-N 3.38Å; F352-M354 VanDerWaalsContact C-N 3.25Å; F352-M354 HydrophobicContact CB-CE 3.95Å; F352-M354 HydrophobicContact CB-CG 4.05Å; F352-M354 HydrophobicContact CG-CE 4.37Å; F352-M354 PolarHBondContact O-N 2.94Å |
| 355 | A | 85.7 | Confident | 90.7 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -148.9 | 151.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I175 I349 G353 I357 | I175-A355 HydrophobicContact CG2-CB 3.85Å; I349-A355 HydrophobicContact CG2-CB 3.75Å; G353-A355 VanDerWaalsContact C-N 3.33Å; A355-I357 PolarHBondContact O-N 2.98Å |
| 356 | K | 87.4 | Confident | 90.5 | Very high | 199 Ų | 199 | 66.3 Ų | 66.3 | 87% | 0.865 | 34% | 0.335 | S | S | * | . | trans | -79.6 | 114.5 | 174 | -174.7 | -178 | 177.2 | -175.4 | 0 | 109.5 | ||||
| 357 | I | 90.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | trans | -81.6 | 126.5 | 174.3 | -53.3 | -52.8 | 0 | 0 | 0 | 109.5 | I346 K350 A355 L361 L366 | I346-I357 HydrophobicContact CG2-CD1 4.02Å; K350-I357 HydrophobicContact CB-CG1 3.78Å; K350-I357 HydrophobicContact CD-CG1 4.26Å; K350-I357 HydrophobicContact CG-CG1 3.92Å; A355-I357 PolarHBondContact O-N 2.98Å; I357-L361 HydrophobicContact CG2-CB 3.66Å; I357-L361 HydrophobicContact CG2-CD2 4.33Å; I357-L366 HydrophobicContact CG2-CD1 4.08Å | ||
| 358 | D | 92.9 | Very high | 88.8 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | trans | -68.9 | 152.2 | 176.7 | -169.3 | -91.1 | 0 | 0 | 0 | 111.5 | K183 L360 L361 Q362 | K183-D358 HydrophobicContact CD-CB 3.97Å; K183-D358 VanDerWaalsContact CE-CG 3.47Å; K183-D358 WeakPolarHBondContact CE-OD1 2.96Å; K183-D358 VanDerWaalsContact CE-OD2 3.28Å; K183-D358 WeakPolarHBondContact CE-OD2 3.46Å; K183-D358 HydrophobicContact CG-CB 4.43Å; K183-D358 IonicContact NZ-OD1 2.87Å; K183-D358 IonicContact NZ-OD2 2.7Å; K183-D358 PolarHBondContact NZ-OD2 2.74Å; D358-L360 PolarHBondContact O-N 3.45Å; D358-L360 WeakPolarHBondContact OD1-CB 3.16Å; D358-L360 PolarHBondContact OD1-N 2.89Å; D358-L361 HydrophobicContact CB-CD1 4.17Å; D358-L361 PolarHBondContact O-N 3.22Å; D358-L361 VanDerWaalsContact O-N 3.15Å; D358-Q362 PolarHBondContact O-N 2.8Å | ||
| 359 | N | 92.4 | Very high | 86.6 | Confident | 124 Ų | 124 | 66.2 Ų | 66.2 | 66% | 0.663 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.2 | -34.8 | -179.7 | -66 | -17.9 | 0 | 0 | 0 | 112 | Q362 E363 | N359-Q362 WeakPolarHBondContact O-CB 3.48Å; N359-Q362 PolarHBondContact O-N 3.03Å; N359-E363 WeakPolarHBondContact O-CG 3.44Å; N359-E363 PolarHBondContact O-N 3.46Å |
| 360 | L | 92.7 | Very high | 84.2 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.5 | -174.1 | 65.7 | 0 | 0 | 0 | 111.7 | K183 L186 L187 D358 Q362 E363 M364 | K183-L360 HydrophobicContact CG-CD2 4.34Å; L186-L360 HydrophobicContact CB-CD2 3.88Å; L186-L360 HydrophobicContact CB-CG 4.33Å; L186-L360 HydrophobicContact CD1-CG 4.27Å; L187-L360 HydrophobicContact CD2-CD2 3.63Å; L187-L360 HydrophobicContact CG-CD2 3.77Å; D358-L360 PolarHBondContact O-N 3.45Å; D358-L360 WeakPolarHBondContact OD1-CB 3.16Å; D358-L360 PolarHBondContact OD1-N 2.89Å; L360-Q362 VanDerWaalsContact C-N 3.27Å; L360-Q362 PolarHBondContact O-N 3.37Å; L360-E363 PolarHBondContact O-N 2.78Å; L360-M364 HydrophobicContact CD1-CG 4.07Å; L360-M364 HydrophobicContact CD1-SD 3.53Å; L360-M364 VanDerWaalsContact CD1-SD 3.53Å; L360-M364 HydrophobicContact CG-SD 3.98Å; L360-M364 WeakPolarHBondContact O-CB 3.16Å; L360-M364 WeakPolarHBondContact O-CG 3.35Å; L360-M364 PolarHBondContact O-N 3.49Å |
| 361 | L | 92.3 | Very high | 81.5 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 174.6 | -87.2 | 71.4 | 0 | 0 | 0 | 110.6 | C179 M182 K183 L186 I357 D358 L365 L366 | C179-L361 HydrophobicContact CB-CD2 4.33Å; M182-L361 HydrophobicContact CB-CD2 4.1Å; M182-L361 HydrophobicContact CB-CG 4.44Å; K183-L361 HydrophobicContact CB-CD1 3.45Å; K183-L361 VanDerWaalsContact CB-CD1 3.45Å; K183-L361 HydrophobicContact CG-CD1 4.04Å; L186-L361 HydrophobicContact CD1-CD1 4.07Å; L186-L361 HydrophobicContact CD1-CG 4.18Å; I357-L361 HydrophobicContact CG2-CB 3.66Å; I357-L361 HydrophobicContact CG2-CD2 4.33Å; D358-L361 HydrophobicContact CB-CD1 4.17Å; D358-L361 PolarHBondContact O-N 3.22Å; D358-L361 VanDerWaalsContact O-N 3.15Å; L361-L365 HydrophobicContact CB-CD1 4.26Å; L361-L365 HydrophobicContact CD2-CD1 4.48Å; L361-L365 HydrophobicContact CG-CD1 3.93Å; L361-L365 VanDerWaalsContact O-CB 3.29Å; L361-L365 WeakPolarHBondContact O-CB 3.32Å; L361-L365 PolarHBondContact O-N 3.09Å; L361-L366 PolarHBondContact O-N 2.95Å |
| 362 | Q | 93.1 | Very high | 78.9 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 16% | 0.164 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.6 | -52.7 | 176.9 | -179.4 | 58.9 | 46.1 | 0 | 0 | 110.8 | D358 N359 L360 L366 G367 | D358-Q362 PolarHBondContact O-N 2.8Å; N359-Q362 WeakPolarHBondContact O-CB 3.48Å; N359-Q362 PolarHBondContact O-N 3.03Å; L360-Q362 VanDerWaalsContact C-N 3.27Å; L360-Q362 PolarHBondContact O-N 3.37Å; Q362-L366 CarbonylContact O-C 3.45Å; Q362-L366 PolarHBondContact O-N 2.95Å; Q362-G367 PolarHBondContact NE2-O 3.25Å; Q362-G367 CarbonylContact O-C 3.52Å; Q362-G367 PolarHBondContact O-N 2.98Å; Q362-G367 VanDerWaalsContact O-N 3.08Å |
| 363 | E | 92.4 | Very high | 75.9 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.1 | -36.3 | -175.4 | -72.8 | -175.8 | -153.9 | 0 | 0 | 113.6 | R212 N359 L360 | R212-E363 IonicContact NH2-OE2 3.48Å; R212-E363 PolarHBondContact NH2-OE2 2.88Å; N359-E363 WeakPolarHBondContact O-CG 3.44Å; N359-E363 PolarHBondContact O-N 3.46Å; L360-E363 PolarHBondContact O-N 2.78Å |
| 364 | M | 93.7 | Very high | 73.4 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 8% | 0.084 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -94.4 | -28.3 | -173.6 | -63.5 | -172.3 | 72.2 | 0 | 0 | 114.3 | L186 L189 L211 A215 L360 | L186-M364 HydrophobicContact CB-SD 4.11Å; L186-M364 HydrophobicContact CD1-CB 4.1Å; L186-M364 HydrophobicContact CD1-SD 4.25Å; L186-M364 HydrophobicContact CD2-CB 4.34Å; L186-M364 HydrophobicContact CD2-CE 4.04Å; L186-M364 HydrophobicContact CD2-SD 4.15Å; L186-M364 HydrophobicContact CG-SD 4.4Å; L189-M364 HydrophobicContact CD2-CE 4.41Å; L211-M364 HydrophobicContact CB-CE 4.09Å; L211-M364 WeakPolarHBondContact O-CE 3.5Å; A215-M364 HydrophobicContact CB-CB 4.05Å; A215-M364 HydrophobicContact CB-CE 4.31Å; A215-M364 WeakPolarHBondContact CB-O 3.24Å; L360-M364 HydrophobicContact CD1-CG 4.07Å; L360-M364 HydrophobicContact CD1-SD 3.53Å; L360-M364 VanDerWaalsContact CD1-SD 3.53Å; L360-M364 HydrophobicContact CG-SD 3.98Å; L360-M364 WeakPolarHBondContact O-CB 3.16Å; L360-M364 WeakPolarHBondContact O-CG 3.35Å; L360-M364 PolarHBondContact O-N 3.49Å |
| 365 | L | 90.4 | Very high | 70.8 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 8% | 0.079 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -112.5 | -41.9 | -175.6 | -66.9 | 160.9 | 0 | 0 | 0 | 113.6 | M182 L186 A215 G216 L219 L361 | M182-L365 HydrophobicContact CE-CD1 3.53Å; L186-L365 HydrophobicContact CD1-CD1 4.06Å; L186-L365 HydrophobicContact CD1-CG 4.38Å; A215-L365 HydrophobicContact CB-CD2 4.09Å; G216-L365 VanDerWaalsContact N-CD2 3.33Å; L219-L365 HydrophobicContact CD1-CD1 3.86Å; L219-L365 HydrophobicContact CD1-CD2 4Å; L219-L365 HydrophobicContact CD1-CG 4.44Å; L361-L365 HydrophobicContact CB-CD1 4.26Å; L361-L365 HydrophobicContact CD2-CD1 4.48Å; L361-L365 HydrophobicContact CG-CD1 3.93Å; L361-L365 VanDerWaalsContact O-CB 3.29Å; L361-L365 WeakPolarHBondContact O-CB 3.32Å; L361-L365 PolarHBondContact O-N 3.09Å |
| 366 | L | 88.7 | Confident | 68.1 | Low | 29 Ų | 29 | 78.9 Ų | 78.9 | 15% | 0.152 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -96.7 | -1.7 | -172.8 | -55 | -173.5 | 0 | 0 | 0 | 112.8 | I343 I346 Q347 K350 I357 L361 Q362 | I343-L366 HydrophobicContact CG2-CD2 4.01Å; I346-L366 HydrophobicContact CB-CD2 4.36Å; I346-L366 HydrophobicContact CG2-CD1 4.08Å; I346-L366 HydrophobicContact CG2-CD2 3.96Å; I346-L366 HydrophobicContact CG2-CG 4.44Å; Q347-L366 HydrophobicContact CG-CD2 3.79Å; K350-L366 HydrophobicContact CD-CD1 4Å; I357-L366 HydrophobicContact CG2-CD1 4.08Å; L361-L366 PolarHBondContact O-N 2.95Å; Q362-L366 CarbonylContact O-C 3.45Å; Q362-L366 PolarHBondContact O-N 2.95Å |
| 367 | G | 80.8 | Confident | 65.4 | Low | 35 Ų | 35 | 77.9 Ų | 77.9 | 36% | 0.361 | 47% | 0.473 | S | S | . | . | trans | 80.9 | 157.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q362 | Q362-G367 PolarHBondContact NE2-O 3.25Å; Q362-G367 CarbonylContact O-C 3.52Å; Q362-G367 PolarHBondContact O-N 2.98Å; Q362-G367 VanDerWaalsContact O-N 3.08Å | ||
| 368 | G | 67.5 | Low | 62.5 | Low | 58 Ų | 58 | 85.5 Ų | 85.5 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | trans | -61.9 | 140.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A370 | G368-A370 PolarHBondContact O-N 3.15Å; G368-A370 VanDerWaalsContact O-N 3.17Å | ||
| 369 | S | 45.8 | Very low | 59.7 | Low | 100 Ų | 100 | 88.8 Ų | 88.8 | 70% | 0.699 | 53% | 0.531 | S | S | * | . | trans | -54.2 | 124.5 | 165.8 | 49 | 0 | 0 | 0 | 0 | 108.1 | S371 | S369-S371 PolarHBondContact O-N 2.95Š| ||
| 370 | A | 38.9 | Very low | 56.6 | Low | 113 Ų | 113 | 91 Ų | 91 | 93% | 0.934 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -59.6 | 86.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G368 | G368-A370 PolarHBondContact O-N 3.15Å; G368-A370 VanDerWaalsContact O-N 3.17Å |
| 371 | S | 34.2 | Very low | 53.6 | Low | 95 Ų | 95 | 97.8 Ų | 97.8 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | trans | -116.6 | -2 | 166.9 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | S369 A373 | S369-S371 PolarHBondContact O-N 2.95Å; S371-A373 VanDerWaalsContact C-N 3.28Å; S371-A373 PolarHBondContact O-N 3.38Å | ||
| 372 | D | 35.2 | Very low | 51 | Low | 165 Ų | 165 | 102.5 Ų | 102.5 | 88% | 0.882 | 60% | 0.603 | S | S | * | * | trans | -89.8 | 72.9 | 167.3 | -70.6 | -24.7 | 0 | 0 | 0 | 109.2 | ||||
| 373 | A | 28.2 | Very low | 48.1 | Very low | 68 Ų | 68 | 110 Ų | 110 | 56% | 0.562 | 64% | 0.638 | S | S | * | * | trans | -64.4 | 131.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | S371 H375 | S371-A373 VanDerWaalsContact C-N 3.28Å; S371-A373 PolarHBondContact O-N 3.38Å; A373-H375 PolarHBondContact O-N 3.09Å | ||
| 374 | P | 34.3 | Very low | 45.2 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | trans | -64.8 | 111.6 | 173.8 | 26.2 | -30 | 0 | 0 | 0 | 107.3 | T376 | P374-T376 PolarHBondContact O-N 2.74Š| ||
| 375 | H | 29.4 | Very low | 42.1 | Very low | 169 Ų | 169 | 119.1 Ų | 119.1 | 78% | 0.782 | 69% | 0.686 | S | S | * | * | trans | -63.8 | 85.6 | 165 | -70.8 | -60.2 | 0 | 0 | 0 | 108.1 | A373 H377 | A373-H375 PolarHBondContact O-N 3.09Å; H375-H377 VanDerWaalsContact C-N 3.29Å; H375-H377 PolarHBondContact O-N 3.31Å | ||
| 376 | T | 30.4 | Very low | 39.2 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -64.9 | 95.8 | 160.9 | 46.7 | 0 | 0 | 0 | 0 | 107 | P374 H378 | P374-T376 PolarHBondContact O-N 2.74Å; T376-H378 VanDerWaalsContact C-N 3.33Å; T376-H378 PolarHBondContact O-N 3Å | ||
| 377 | H | 30 | Very low | 36.2 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | -62.5 | 98.1 | 162.6 | -80 | -82.5 | 0 | 0 | 0 | 108.1 | H375 | H375-H377 VanDerWaalsContact C-N 3.29Å; H375-H377 PolarHBondContact O-N 3.31Å | ||
| 378 | H | 30.1 | Very low | 33.8 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 121.9 | 164 | -125.6 | 22.6 | 0 | 0 | 0 | 108.2 | T376 | T376-H378 VanDerWaalsContact C-N 3.33Å; T376-H378 PolarHBondContact O-N 3Å |
| 379 | P | 33 | Very low | 32 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 131.8 | 176 | 28.2 | -29.4 | 0 | 0 | 0 | 110 | ||
| 380 | L | 27.4 | Very low | 31.2 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 131.8 | 174.6 | -72.2 | 150.2 | 0 | 0 | 0 | 111.8 | ||
| 381 | H | 30 | Very low | 30.9 | Very low | 178 Ų | 178 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -142.8 | 136.1 | 144.1 | -137.4 | -90.5 | 0 | 0 | 0 | 109.9 | ||||
| 382 | P | 37.3 | Very low | 30.7 | Very low | 99 Ų | 99 | 146 Ų | 146 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -94.8 | 138.3 | -166 | 34.6 | -28.5 | 0 | 0 | 0 | 111.6 | ||||
| 383 | H | 33 | Very low | 30.5 | Very low | 192 Ų | 192 | 144 Ų | 144 | 89% | 0.889 | 78% | 0.775 | S | S | * | * | trans | -149 | 132.3 | 148.5 | -96.5 | -60.2 | 0 | 0 | 0 | 111.5 | ||||
| 384 | L | 31.6 | Very low | 30.7 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -63.4 | 143.1 | 180 | -68.1 | 130.6 | 0 | 0 | 0 | 112.8 | ||||
| 385 | M | 29 | Very low | 30.6 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | 162.7 | 107.2 | 114.8 | -79.6 | -89.8 | 83.8 | 0 | 0 | 110.7 | |||||
| 386 | Q | 28.3 | Very low | 30.5 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | 21.2 | 121.1 | 128.7 | -161.2 | 151.8 | -4.8 | 0 | 0 | 119.1 | |||||
| 387 | E | 26.8 | Very low | 30.3 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | 179.1 | 132.4 | 111.5 | -89.5 | -151.6 | 144.3 | 0 | 0 | 114.7 | |||||
| 388 | H | 29.2 | Very low | 30.3 | Very low | 141 Ų | 141 | 145 Ų | 145 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | 37.2 | 116.5 | 143.1 | -61.8 | -64 | 0 | 0 | 0 | 124.8 | ||||
| 389 | M | 29.9 | Very low | 30.2 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | 35 | 127.8 | 123.5 | -61 | -106.1 | 116 | 0 | 0 | 120.5 | |||||
| 390 | G | 29.1 | Very low | 31.2 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 175.4 | 91 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 391 | T | 32.2 | Very low | 31.3 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -50.5 | 139.2 | 161.3 | -27.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 392 | N | 31.2 | Very low | 31.2 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -172.1 | 128.1 | 135.8 | -90.8 | -28.1 | 0 | 0 | 0 | 113 | ||||
| 393 | V | 31 | Very low | 30.7 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -84.6 | 135.2 | 166.3 | 169.4 | 0 | 0 | 0 | 0 | 108.1 | V395 | V393-V395 HydrophobicContact CG1-CG2 4.4Š| ||
| 394 | I | 32.4 | Very low | 30.4 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 82% | 0.821 | 78% | 0.779 | S | S | * | * | trans | -136.6 | 119.3 | 158.4 | -58.6 | -178.2 | 0 | 0 | 0 | 109.3 | ||||
| 395 | V | 32.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -94.2 | 140 | 165.6 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | V393 | V393-V395 HydrophobicContact CG1-CG2 4.4Š| ||
| 396 | A | 26.2 | Very low | 30.1 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -148.9 | 115 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 397 | N | 26.6 | Very low | 30 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -64.9 | 153.2 | 160.2 | -85.2 | -16.4 | 0 | 0 | 0 | 111.1 | ||||
| 398 | T | 29.5 | Very low | 29.9 | Very low | 147 Ų | 147 | 138 Ų | 138 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | -174.7 | 132.4 | 122.7 | 22.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 399 | M | 27.5 | Very low | 29.8 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -103 | -169 | 171.5 | -77.3 | -83.8 | -169.2 | 0 | 0 | 108.5 | ||||
| 400 | P | 55.4 | Low | 29.6 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | -134 | -175.5 | -65.5 | 40.1 | -23.6 | 0 | 0 | 0 | 111.4 | |||||
| 401 | S | 27.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 162.9 | 150.9 | 150.6 | 40.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 402 | H | 28.2 | Very low | 29.5 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | cis | -169.9 | 160.6 | -17.9 | -129.7 | -92.7 | 0 | 0 | 0 | 105.4 | ||||
| 403 | L | 27.1 | Very low | 29.6 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | 72.6 | 147.7 | 158.6 | -61 | 147.1 | 0 | 0 | 0 | 117.6 | ||||
| 404 | S | 27 | Very low | 29.8 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | cis | 179.5 | 139.8 | -28.6 | 50 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 405 | N | 27.8 | Very low | 29.7 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 53.3 | 126.1 | 156.1 | -89.7 | 6.7 | 0 | 0 | 0 | 121.1 | ||||
| 406 | G | 25.5 | Very low | 29.5 | Very low | 74 Ų | 74 | 150.4 Ų | 150.4 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | 134 | 117.7 | 124.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 407 | Q | 27.1 | Very low | 29.6 | Very low | 203 Ų | 203 | 155.5 Ų | 155.5 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | trans | 96.6 | 125.6 | 144 | -121.1 | 161.7 | -16.6 | 0 | 0 | 119.2 | ||||
| 408 | M | 25.4 | Very low | 29.8 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -77.1 | 167.8 | 179.2 | -62.2 | 172.4 | 62.3 | 0 | 0 | 112.7 | ||||
| 409 | C | 25.5 | Very low | 29.7 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 72% | 0.716 | 83% | 0.829 | S | S | * | * | trans | 85.7 | 110.4 | 153.2 | -59.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 410 | E | 25.8 | Very low | 30.1 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | -173.4 | 128.8 | 102.8 | -99.8 | 179.8 | 161.7 | 0 | 0 | 111.6 | |||||
| 411 | W | 26.9 | Very low | 29.1 | Very low | 245 Ų | 245 | 150.4 Ų | 150.4 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 135.3 | 168.1 | -81.5 | 88.7 | 0 | 0 | 0 | 109.8 | ||
| 412 | P | 32.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 120 | 165.9 | 0.3 | 17.6 | 0 | 0 | 0 | 110.2 | ||
| 413 | R | 34.8 | Very low | 29.6 | Very low | 241 Ų | 241 | 153.4 Ų | 153.4 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.4 | 161.9 | -71 | -178 | 179.3 | -167.3 | 0.2 | 110.4 | ||
| 414 | P | 34 | Very low | 29.9 | Very low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 132.1 | 155 | -2.8 | 22 | 0 | 0 | 0 | 110.8 | ||
| 415 | R | 30.9 | Very low | 30.2 | Very low | 252 Ų | 252 | 156.5 Ų | 156.5 | 95% | 0.951 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 138.4 | 163.8 | -90.9 | -178.7 | 177.1 | -164.5 | -0.8 | 109.9 | ||
| 416 | G | 27.9 | Very low | 30.5 | Very low | 73 Ų | 73 | 154 Ų | 154 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 160.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 417 | Q | 28.8 | Very low | 30.8 | Very low | 204 Ų | 204 | 156 Ų | 156 | 95% | 0.953 | 85% | 0.85 | S | S | * | * | trans | -144.2 | 138.3 | 149.5 | -96.2 | 176.9 | 19.3 | 0 | 0 | 108.4 | ||||
| 418 | A | 29.8 | Very low | 31.4 | Very low | 105 Ų | 105 | 152 Ų | 152 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | trans | -86.4 | 144.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 419 | A | 28.9 | Very low | 32 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 87% | 0.868 | 85% | 0.845 | S | S | * | * | trans | -158.8 | 123 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 420 | T | 34.7 | Very low | 32.3 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 163.2 | 174.6 | 37.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 421 | P | 35.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 150.3 | -156.1 | 36.3 | -32.2 | 0 | 0 | 0 | 114.4 | ||
| 422 | E | 31.9 | Very low | 32.6 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 133.1 | 169 | -70.4 | -163.9 | 138.7 | 0 | 0 | 111.8 | ||
| 423 | T | 34 | Very low | 32.3 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 83% | 0.828 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 139.5 | 176.2 | -18.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 424 | P | 33 | Very low | 32 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -87 | 138.4 | 176.7 | 31.4 | -30.1 | 0 | 0 | 0 | 113 | ||
| 425 | Q | 33.9 | Very low | 31.7 | Very low | 187 Ų | 187 | 134 Ų | 134 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 159.2 | 170.8 | -90.7 | -170.9 | -60 | 0 | 0 | 112.8 | ||
| 426 | P | 33.8 | Very low | 31.5 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 77% | 0.766 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -94 | 165.6 | -174 | 37.8 | -33.1 | 0 | 0 | 0 | 113.7 | ||
| 427 | S | 31.6 | Very low | 31.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -135.7 | 165.3 | 173.3 | -49.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 428 | P | 39.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | -105.4 | -178.9 | -121.6 | 9.6 | 16.2 | 0 | 0 | 0 | 114.1 | |||||
| 429 | P | 38.4 | Very low | 31.2 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -86.9 | 141.1 | -175.8 | 34.9 | -31 | 0 | 0 | 0 | 112.3 | ||||
| 430 | S | 32.2 | Very low | 31 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -129.5 | 116.6 | 165.5 | 51.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 431 | G | 28.2 | Very low | 31.1 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -106.9 | 147.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 432 | S | 31.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | 157.2 | 135.6 | 121.7 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 433 | G | 26 | Very low | 30.4 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 90.3 | 139.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 434 | S | 28.2 | Very low | 30.2 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | cis | -174.4 | 137.5 | -1.4 | 39.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 435 | E | 27.3 | Very low | 29.9 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 82% | 0.819 | S | S | * | * | trans | 35.7 | 133.7 | 150.5 | -59.3 | -172.8 | 134.9 | 0 | 0 | 123.6 | ||||
| 436 | S | 27 | Very low | 29.7 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -170.4 | 117.9 | 120.6 | -77 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 437 | Y | 25.3 | Very low | 29.4 | Very low | 200 Ų | 200 | 132.1 Ų | 132.1 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -79.7 | 139 | 174 | -69.8 | -97.5 | 0 | 0 | 0 | 111.9 | ||||
| 438 | K | 27.6 | Very low | 29.2 | Very low | 220 Ų | 220 | 133 Ų | 133 | 96% | 0.957 | 82% | 0.817 | S | S | * | * | trans | -140.4 | 132.3 | 148.2 | -81.6 | -167.6 | 178.7 | 177.8 | 0 | 110.7 | ||||
| 439 | L | 26.6 | Very low | 28.9 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -101.7 | 136.2 | -176.1 | -87.1 | 147.9 | 0 | 0 | 0 | 111.9 | ||||
| 440 | L | 24.9 | Very low | 28.6 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | 65.6 | 164.2 | 142.4 | -101 | 76.3 | 0 | 0 | 0 | 121.5 | ||||
| 441 | P | 36.4 | Very low | 28.7 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -141.3 | 162 | -10.8 | 28.4 | -5.8 | 0 | 0 | 0 | 118.2 | ||||
| 442 | G | 26 | Very low | 29 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | 109.4 | 110.2 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 443 | A | 27.7 | Very low | 29.1 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -176.6 | 97.3 | 135.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 444 | I | 30.3 | Very low | 29.5 | Very low | 162 Ų | 162 | 140 Ų | 140 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | 27.2 | 111.1 | 137.5 | -49.1 | 172.5 | 0 | 0 | 0 | 118.6 | ||||
| 445 | T | 27 | Very low | 29.7 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 121.5 | 161.5 | 8.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 446 | T | 28.2 | Very low | 30 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 122.4 | 165.7 | 33.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 447 | I | 28.3 | Very low | 30.3 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83 | 118.8 | 175.1 | -65.7 | 167.8 | 0 | 0 | 0 | 108.1 | ||
| 448 | V | 28.3 | Very low | 30.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 125 | 170 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 449 | K | 31.8 | Very low | 31.1 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 141.2 | 179.8 | -150.3 | 176.6 | -173 | -179.8 | 0 | 109.6 | ||
| 450 | P | 32.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 143.6 | 177.6 | 29.5 | -32 | 0 | 0 | 0 | 111.5 | ||
| 451 | P | 34.7 | Very low | 31.8 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 144.8 | 178.3 | 29.4 | -31.5 | 0 | 0 | 0 | 112.7 | ||
| 452 | S | 33.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 150.4 | 179.5 | 46 | 0 | 0 | 0 | 0 | 114.3 | ||
| 453 | A | 33.5 | Very low | 32.2 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 141.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 454 | I | 33.8 | Very low | 32.5 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | trans | -105.2 | 144 | 168.5 | -64.4 | 176 | 0 | 0 | 0 | 108.3 | ||||
| 455 | P | 33.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 77% | 0.766 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 147.8 | -164.5 | -6.4 | 24.9 | 0 | 0 | 0 | 113.7 | ||
| 456 | Q | 33.5 | Very low | 33.4 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -69 | 142.1 | 169.2 | -71.9 | -175.4 | -30 | 0 | 0 | 111.8 | ||
| 457 | P | 33.4 | Very low | 33.7 | Very low | 117 Ų | 117 | 152.7 Ų | 152.7 | 76% | 0.76 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 132.5 | 165.8 | 31.6 | -28.3 | 0 | 0 | 0 | 111.3 | ||
| 458 | T | 33.5 | Very low | 34 | Very low | 144 Ų | 144 | 152 Ų | 152 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 120.5 | 172.4 | 1.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 459 | I | 36.2 | Very low | 34.3 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 83% | 0.826 | 85% | 0.854 | S | S | * | * | trans | -98.4 | 115.8 | 167.6 | -63.7 | 176.8 | 0 | 0 | 0 | 108.5 | ||||
| 460 | T | 32.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 151 Ų | 151 | 79% | 0.791 | 86% | 0.857 | S | S | * | * | trans | -64.9 | 130.8 | 169.6 | 31.3 | 0 | 0 | 0 | 0 | 111.2 | Q462 | T460-Q462 PolarHBondContact O-N 2.96Š| ||
| 461 | K | 33.6 | Very low | 34.6 | Very low | 211 Ų | 211 | 153.3 Ų | 153.3 | 92% | 0.917 | 86% | 0.863 | S | S | * | * | trans | -62.4 | 123.6 | 166.9 | -74.7 | -179.9 | 173.3 | -177.9 | 0 | 109.6 | ||||
| 462 | Q | 33.8 | Very low | 34.6 | Very low | 193 Ų | 193 | 155 Ų | 155 | 90% | 0.902 | 87% | 0.865 | S | S | * | * | trans | -105.2 | 117.6 | 160.4 | -113.8 | 172 | -6.4 | 0 | 0 | 107.9 | T460 | T460-Q462 PolarHBondContact O-N 2.96Š| ||
| 463 | E | 35.1 | Very low | 34.6 | Very low | 195 Ų | 195 | 158.5 Ų | 158.5 | 91% | 0.911 | 87% | 0.873 | S | S | * | * | trans | -72.2 | 135.4 | 162.1 | -69.9 | 173.5 | 143.8 | 0 | 0 | 108.8 | ||||
| 464 | A | 35 | Very low | 34.7 | Very low | 94 Ų | 94 | 163.3 Ų | 163.3 | 78% | 0.777 | 88% | 0.876 | S | S | * | * | trans | -147.6 | 110.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 465 | I | 42.3 | Very low | 34.8 | Very low | 245 Ų | 245 | 163.5 Ų | 163.5 | 100% | 1.256 | 88% | 0.88 | S | S | * | * | trans | 24.5 | 0 | 138.5 | -53.3 | 176.1 | 0 | 0 | 0 | 117.1 |
Retrieved 465 of 465 residues in 411.2 ms
(Link to these results)