| 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 | 26.3 | Very low | 29.9 | Very low | 237 Ų | 237 | 152 Ų | 152 | 100% | 1.167 | 83% | 0.828 | S | S | * | * | 0 | 138.5 | 0 | -79.8 | -75.8 | -178.3 | 0 | 0 | 107.8 | |||||
| 2 | P | 52.8 | Low | 29.4 | Very low | 105 Ų | 105 | 157.5 Ų | 157.5 | 68% | 0.682 | 83% | 0.828 | S | S | * | * | -129.5 | 179.8 | -94.8 | 38.7 | -25.8 | 0 | 0 | 0 | 114.2 | |||||
| 3 | R | 28.8 | Very low | 29.2 | Very low | 240 Ų | 240 | 159.7 Ų | 159.7 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | 162.7 | 113.2 | 136.3 | -86.4 | 161.4 | -169.6 | -133.7 | 3.4 | 107.8 | ||||
| 4 | G | 27 | Very low | 28.9 | Very low | 85 Ų | 85 | 156.8 Ų | 156.8 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | 73.1 | 113.9 | 77.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 5 | G | 25.4 | Very low | 28.7 | Very low | 66 Ų | 66 | 155.7 Ų | 155.7 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | cis | 134.6 | 156.6 | 39.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 6 | H | 25.9 | Very low | 28.4 | Very low | 198 Ų | 198 | 157.9 Ų | 157.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | 99.4 | 106.4 | 169.3 | -58.2 | -68.6 | 0 | 0 | 0 | 119.8 | ||||
| 7 | S | 29.9 | Very low | 28.2 | Very low | 109 Ų | 109 | 155.6 Ų | 155.6 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -78.4 | 165.8 | 138.7 | -45.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | P | 37.6 | Very low | 28.1 | Very low | 103 Ų | 103 | 158.2 Ų | 158.2 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | -160.4 | -176.6 | 81.5 | 34.9 | -10.1 | 0 | 0 | 0 | 118.1 | |||||
| 9 | H | 26.3 | Very low | 28.3 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | 82.4 | 143.2 | 153.2 | -72 | -47.5 | 0 | 0 | 0 | 119.4 | ||||
| 10 | C | 23.6 | Very low | 28 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 70% | 0.696 | 81% | 0.811 | S | S | * | * | cis | -177.6 | 147.2 | -10.4 | -130.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 11 | R | 25.3 | Very low | 27.9 | Very low | 252 Ų | 252 | 151 Ų | 151 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | 174.3 | 135.4 | 124.4 | -95.6 | 176.7 | -168.7 | -162.2 | 3.6 | 112.6 | |||||
| 12 | R | 24.2 | Very low | 27.9 | Very low | 218 Ų | 218 | 145 Ų | 145 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | trans | -94.2 | 159.3 | 178.3 | -76.4 | 176.1 | 167.6 | 176.9 | -3.8 | 110.8 | ||||
| 13 | H | 27.2 | Very low | 26.5 | Very low | 186 Ų | 186 | 146 Ų | 146 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -148.8 | 101 | 143.7 | -95.2 | -66.9 | 0 | 0 | 0 | 110 | ||||
| 14 | D | 24.6 | Very low | 26.3 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | 22.7 | 143.8 | 115.1 | -69.4 | -10.6 | 0 | 0 | 0 | 119.2 | |||||
| 15 | L | 25.2 | Very low | 26.2 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | cis | -179 | 163.8 | 19.9 | -114.7 | 165 | 0 | 0 | 0 | 111.5 | ||||
| 16 | K | 24.5 | Very low | 26.3 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 98.9 | 136.9 | 157.8 | -60.8 | 178.3 | -178.3 | 176.4 | 0 | 118.6 | ||||
| 17 | C | 25.3 | Very low | 26.2 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | cis | -172.7 | 148.9 | -18.7 | -103.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 18 | F | 25.8 | Very low | 25.8 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 172.2 | -170.1 | -77.9 | -81.7 | 0 | 0 | 0 | 116.3 | ||||
| 19 | P | 31.7 | Very low | 25.3 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -145.8 | 175.2 | 54.9 | 37 | -13.6 | 0 | 0 | 0 | 115.7 | |||||
| 20 | S | 23.8 | Very low | 25.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | -169.7 | 154.3 | -7.8 | 42.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 21 | A | 24.5 | Very low | 25.5 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | 89.8 | 146.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 22 | P | 25.8 | Very low | 25.3 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | -122.4 | 142.2 | -60.2 | 33 | -18.7 | 0 | 0 | 0 | 112.7 | |||||
| 23 | T | 24.3 | Very low | 25.2 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 34.7 | 89.5 | 151.8 | 52.3 | 0 | 0 | 0 | 0 | 119.4 | Q25 | T23-Q25 PolarHBondContact O-N 3.19Š| ||
| 24 | C | 24.2 | Very low | 25.1 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 93% | 0.932 | 75% | 0.751 | S | S | * | * | trans | -73.4 | 96.1 | 149.1 | -81.5 | 0 | 0 | 0 | 0 | 108.9 | I26 | C24-I26 PolarHBondContact O-N 3.4Š| ||
| 25 | Q | 25.2 | Very low | 25.1 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -69 | 121.5 | 163.9 | -83 | -179.2 | -13.9 | 0 | 0 | 109.2 | T23 W27 | T23-Q25 PolarHBondContact O-N 3.19Å; Q25-W27 PolarHBondContact O-N 3.16Å | ||
| 26 | I | 27.7 | Very low | 25.2 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -53.6 | 104.8 | 158 | -64.1 | 162.3 | 0 | 0 | 0 | 107.1 | C24 K28 | C24-I26 PolarHBondContact O-N 3.4Å; I26-K28 PolarHBondContact O-N 3.02Å; I26-K28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | W | 23.6 | Very low | 25.3 | Very low | 159 Ų | 159 | 140 Ų | 140 | 60% | 0.602 | 77% | 0.766 | S | S | * | * | trans | -79.8 | 99.3 | 169.3 | -84.5 | 25.8 | 0 | 0 | 0 | 108.4 | Q25 Q30 F32 | Q25-W27 PolarHBondContact O-N 3.16Å; W27-Q30 HydrophobicContact CE3-CG 4.33Å; W27-F32 AromaticContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CZ 4.16Å | ||
| 28 | K | 22.6 | Very low | 25.3 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | -34.8 | 142.2 | 144.4 | -75.1 | 177.3 | 173 | 177.7 | 0 | 109.3 | I26 Q30 | I26-K28 PolarHBondContact O-N 3.02Å; I26-K28 VanDerWaalsContact O-N 3.16Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-Q30 PolarHBondContact O-N 2.74Å | ||
| 29 | A | 26.8 | Very low | 25.7 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | -37.5 | 94.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T31 | A29-T31 PolarHBondContact O-N 3.48Š| ||
| 30 | Q | 22.4 | Very low | 25.7 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 46% | 0.458 | 76% | 0.759 | S | S | . | * | trans | -86.4 | 106.7 | 164.1 | -78.8 | -173.7 | 9.4 | 0 | 0 | 105.1 | W27 K28 F32 | W27-Q30 HydrophobicContact CE3-CG 4.33Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-Q30 PolarHBondContact O-N 2.74Å; Q30-F32 HydrophobicContact CB-CD2 4.12Å; Q30-F32 HydrophobicContact CB-CE2 3.99Å; Q30-F32 PolarHBondContact O-N 2.83Å | ||
| 31 | T | 30.7 | Very low | 26.2 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -50.2 | 91.4 | 154.8 | 43.9 | 0 | 0 | 0 | 0 | 108.3 | A29 | A29-T31 PolarHBondContact O-N 3.48Š| ||
| 32 | F | 21.5 | Very low | 27.3 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | trans | -77.9 | 127.5 | 156.5 | -86.3 | -85.7 | 0 | 0 | 0 | 106.9 | W27 Q30 A34 | W27-F32 AromaticContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CZ 4.16Å; Q30-F32 HydrophobicContact CB-CD2 4.12Å; Q30-F32 HydrophobicContact CB-CE2 3.99Å; Q30-F32 PolarHBondContact O-N 2.83Å; F32-A34 PolarHBondContact O-N 2.93Å | ||
| 33 | P | 22.4 | Very low | 28.7 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -62.9 | 111.1 | 170.1 | 27.4 | -28.7 | 0 | 0 | 0 | 105.4 | R35 | P33-R35 PolarHBondContact O-N 2.93Š| ||
| 34 | A | 24.7 | Very low | 30.2 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -45.8 | 116.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 104.5 | F32 R36 | F32-A34 PolarHBondContact O-N 2.93Å; A34-R36 HydrophobicContact CB-CG 4.27Å; A34-R36 PolarHBondContact O-N 3.01Å | ||
| 35 | R | 25.3 | Very low | 31.8 | Very low | 245 Ų | 245 | 122.5 Ų | 122.5 | 93% | 0.925 | 67% | 0.669 | S | S | * | * | trans | -62 | 77.6 | 156.4 | -94 | -177 | 174.3 | 178.5 | -1.1 | 105.1 | P33 T37 | P33-R35 PolarHBondContact O-N 2.93Å; R35-T37 PolarHBondContact O-N 2.65Å | ||
| 36 | R | 27.6 | Very low | 33.5 | Very low | 219 Ų | 219 | 122.9 Ų | 122.9 | 83% | 0.826 | 66% | 0.664 | S | S | * | * | trans | -57 | 99.6 | 151.6 | -75.6 | 179.7 | 170.6 | 179.8 | -3.5 | 102.9 | A34 | A34-R36 HydrophobicContact CB-CG 4.27Å; A34-R36 PolarHBondContact O-N 3.01Å | ||
| 37 | T | 24.6 | Very low | 35.3 | Very low | 124 Ų | 124 | 119 Ų | 119 | 76% | 0.761 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 121.5 | 152.1 | 43.6 | 0 | 0 | 0 | 0 | 105.4 | R35 G39 | R35-T37 PolarHBondContact O-N 2.65Å; T37-G39 PolarHBondContact O-N 3.39Å |
| 38 | P | 27 | Very low | 37.2 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 79% | 0.786 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.9 | -174.7 | 25.5 | -31.7 | 0 | 0 | 0 | 108.1 | S40 | P38-S40 PolarHBondContact O-N 3.01Å; P38-S40 VanDerWaalsContact O-N 3.16Å |
| 39 | G | 32.8 | Very low | 39.2 | Very low | 76 Ų | 76 | 111 Ų | 111 | 78% | 0.784 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -46 | 118.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T37 S41 | T37-G39 PolarHBondContact O-N 3.39Å; G39-S41 VanDerWaalsContact C-N 3.31Å; G39-S41 PolarHBondContact O-N 3.35Å |
| 40 | S | 32.8 | Very low | 41.2 | Very low | 108 Ų | 108 | 106.6 Ų | 106.6 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | trans | -72.1 | 100.3 | 147.6 | 54.3 | 0 | 0 | 0 | 0 | 105.3 | P38 | P38-S40 PolarHBondContact O-N 3.01Å; P38-S40 VanDerWaalsContact O-N 3.16Å | ||
| 41 | S | 33.2 | Very low | 43.4 | Very low | 91 Ų | 91 | 103 Ų | 103 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | trans | -42 | 137.1 | 154.7 | 47.5 | 0 | 0 | 0 | 0 | 108 | G39 L43 | G39-S41 VanDerWaalsContact C-N 3.31Å; G39-S41 PolarHBondContact O-N 3.35Å; S41-L43 PolarHBondContact O-N 3.31Å; S41-L43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | P | 48.3 | Very low | 45.2 | Very low | 76 Ų | 76 | 98.9 Ų | 98.9 | 49% | 0.494 | 55% | 0.545 | S | S | . | . | trans | -48.5 | 128.8 | 176.9 | 18.4 | -30 | 0 | 0 | 0 | 109.3 | L44 L75 | P42-L44 PolarHBondContact O-N 3.01Å; P42-L75 HydrophobicContact CB-CB 4.19Å; P42-L75 HydrophobicContact CB-CD1 3.16Å; P42-L75 HydrophobicContact CB-CG 3.46Å; P42-L75 VanDerWaalsContact CB-CG 3.46Å; P42-L75 HydrophobicContact CG-CD1 3.33Å; P42-L75 HydrophobicContact CG-CG 4.2Å | ||
| 43 | L | 55.4 | Low | 47.6 | Very low | 97 Ų | 97 | 92 Ų | 92 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 103.2 | -178.7 | -77.4 | 167.8 | 0 | 0 | 0 | 107.1 | S41 C45 L74 L75 | S41-L43 PolarHBondContact O-N 3.31Å; S41-L43 VanDerWaalsContact O-N 3.13Å; L43-C45 PolarHBondContact O-N 2.97Å; L43-L74 HydrophobicContact CB-CD2 3.56Å; L43-L74 VanDerWaalsContact O-CA 3.27Å; L43-L74 WeakPolarHBondContact O-CA 3.24Å; L43-L74 WeakPolarHBondContact O-CD2 3.39Å; L43-L75 PolarHBondContact O-N 3.49Å |
| 44 | L | 55.7 | Low | 50 | Low | 71 Ų | 71 | 86.7 Ų | 86.7 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 112.1 | -178 | -163.2 | 74.9 | 0 | 0 | 0 | 109.2 | P42 R46 L75 E77 | P42-L44 PolarHBondContact O-N 3.01Å; L44-R46 HydrophobicContact CD2-CG 4.38Å; L44-R46 PolarHBondContact O-N 3.37Å; L44-L75 CarbonylContact C-O 3.44Å; L44-L75 WeakPolarHBondContact CA-O 3.39Å; L44-L75 HydrophobicContact CD1-CB 4.32Å; L44-E77 HydrophobicContact CD1-CB 3.7Å; L44-E77 HydrophobicContact CD1-CG 4.38Å; L44-E77 HydrophobicContact CD2-CB 3.99Å; L44-E77 HydrophobicContact CD2-CG 4.3Å; L44-E77 WeakPolarHBondContact CD2-OE2 3.29Å; L44-E77 HydrophobicContact CG-CB 3.92Å |
| 45 | C | 58 | Low | 52.1 | Low | 12 Ų | 12 | 86.5 Ų | 86.5 | 8% | 0.081 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 107.4 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | L43 Q51 L74 L75 L76 | L43-C45 PolarHBondContact O-N 2.97Å; C45-Q51 PolarHBondContact O-NE2 3.25Å; C45-L74 HydrophobicContact CB-CB 4.08Å; C45-L74 HydrophobicContact CB-CD1 3.98Å; C45-L74 HydrophobicContact CB-CD2 4.33Å; C45-L74 HydrophobicContact CB-CG 4.36Å; C45-L75 PolarHBondContact N-O 2.86Å; C45-L76 HydrophobicContact CB-CD2 3.92Å |
| 46 | R | 59.5 | Low | 54.4 | Low | 158 Ų | 158 | 78.6 Ų | 78.6 | 60% | 0.596 | 44% | 0.443 | S | S | * | . | trans | -93.4 | -0.9 | 174 | -65.4 | -177.9 | 175.6 | 162.6 | 4.4 | 113.6 | L44 M48 E77 | L44-R46 HydrophobicContact CD2-CG 4.38Å; L44-R46 PolarHBondContact O-N 3.37Å; R46-M48 PolarHBondContact O-N 3.43Å; R46-E77 IonicContact NE-OE2 3.33Å | ||
| 47 | D | 65.6 | Low | 56.4 | Low | 82 Ų | 82 | 69.1 Ų | 69.1 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | trans | -75.7 | 108.1 | -177.8 | -167.6 | -14.8 | 0 | 0 | 0 | 110.8 | A49 L50 Q51 | D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.37Å; D47-A49 WeakPolarHBondContact OD1-CB 3.28Å; D47-A49 PolarHBondContact OD1-N 3.08Å; D47-L50 HydrophobicContact CB-CB 4.12Å; D47-L50 PolarHBondContact O-N 3.2Å; D47-Q51 WeakPolarHBondContact O-CG 3.49Å; D47-Q51 PolarHBondContact O-N 3.26Å; D47-Q51 VanDerWaalsContact O-N 3.07Å | ||
| 48 | M | 63.7 | Low | 58.9 | Low | 121 Ų | 121 | 65.8 Ų | 65.8 | 60% | 0.596 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65 | -29.1 | 179.8 | -64.3 | -68 | -89.8 | 0 | 0 | 112 | R46 N52 | R46-M48 PolarHBondContact O-N 3.43Å; M48-N52 VanDerWaalsContact O-CB 3.27Å; M48-N52 WeakPolarHBondContact O-CB 3.2Å; M48-N52 PolarHBondContact O-N 2.95Å; M48-N52 PolarHBondContact O-ND2 2.92Å; M48-N52 VanDerWaalsContact O-ND2 3.09Å; M48-N52 PolarHBondContact O-OD1 3.16Å |
| 49 | A | 66.2 | Low | 61.2 | Low | 50 Ų | 50 | 62.2 Ų | 62.2 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D47 A53 L65 | D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.37Å; D47-A49 WeakPolarHBondContact OD1-CB 3.28Å; D47-A49 PolarHBondContact OD1-N 3.08Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.19Å; A49-L65 HydrophobicContact CB-CD1 4.36Å |
| 50 | L | 68.6 | Low | 63.3 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 176.6 | -171.4 | 148.8 | 0 | 0 | 0 | 111.4 | D47 N52 A53 L54 F66 | D47-L50 HydrophobicContact CB-CB 4.12Å; D47-L50 PolarHBondContact O-N 3.2Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.11Å; L50-A53 PolarHBondContact O-N 3.32Å; L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 3.03Å; L50-F66 HydrophobicContact CD1-CD2 3.86Å; L50-F66 HydrophobicContact CD1-CE2 3.58Å; L50-F66 HydrophobicContact CD1-CZ 4.41Å; L50-F66 HydrophobicContact CD2-CE2 4.1Å; L50-F66 HydrophobicContact CG-CD2 4.49Å; L50-F66 HydrophobicContact CG-CE2 4.09Å |
| 51 | Q | 68.4 | Low | 65.2 | Low | 23 Ų | 23 | 61.2 Ų | 61.2 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 173.3 | -71 | -180 | 7.7 | 0 | 0 | 110.9 | C45 D47 A53 L54 Y55 L76 | C45-Q51 PolarHBondContact O-NE2 3.25Å; D47-Q51 WeakPolarHBondContact O-CG 3.49Å; D47-Q51 PolarHBondContact O-N 3.26Å; D47-Q51 VanDerWaalsContact O-N 3.07Å; Q51-A53 VanDerWaalsContact C-N 3.35Å; Q51-A53 PolarHBondContact O-N 2.88Å; Q51-L54 PolarHBondContact O-N 3.3Å; Q51-Y55 HydrophobicContact CB-CD2 4.34Å; Q51-Y55 HydrophobicContact CB-CE2 4.32Å; Q51-Y55 WeakPolarHBondContact O-CB 3.36Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.48Å; Q51-Y55 PolarHBondContact O-N 3.35Å; Q51-L76 HydrophobicContact CG-CD2 3.88Å |
| 52 | N | 68.7 | Low | 67.1 | Low | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -44 | 178 | -68.9 | -18.6 | 0 | 0 | 0 | 112 | M48 L50 L54 Y55 T56 L92 | M48-N52 VanDerWaalsContact O-CB 3.27Å; M48-N52 WeakPolarHBondContact O-CB 3.2Å; M48-N52 PolarHBondContact O-N 2.95Å; M48-N52 PolarHBondContact O-ND2 2.92Å; M48-N52 VanDerWaalsContact O-ND2 3.09Å; M48-N52 PolarHBondContact O-OD1 3.16Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.11Å; N52-L54 PolarHBondContact O-N 2.99Å; N52-Y55 PolarHBondContact O-N 3.41Å; N52-T56 WeakPolarHBondContact O-CG2 3.38Å; N52-T56 PolarHBondContact O-N 3.05Å; N52-T56 PolarHBondContact O-OG1 3.19Å; N52-L92 HydrophobicContact CB-CD1 4.05Å; N52-L92 HydrophobicContact CB-CD2 4.02Å; N52-L92 VanDerWaalsContact ND2-CD1 3.29Å; N52-L92 WeakPolarHBondContact ND2-CD1 3.18Å; N52-L92 VanDerWaalsContact OD1-CD1 3.23Å; N52-L92 WeakPolarHBondContact OD1-CD1 3.33Å; N52-L92 WeakPolarHBondContact OD1-CD2 3.42Å |
| 53 | A | 71.6 | Confident | 68.3 | Low | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | A49 L50 Q51 T56 G57 D58 R61 L62 L65 | A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.19Å; L50-A53 PolarHBondContact O-N 3.32Å; Q51-A53 VanDerWaalsContact C-N 3.35Å; Q51-A53 PolarHBondContact O-N 2.88Å; A53-T56 PolarHBondContact O-OG1 3.05Å; A53-G57 PolarHBondContact O-N 3Å; A53-D58 PolarHBondContact O-N 2.9Å; A53-R61 HydrophobicContact CB-CB 4.07Å; A53-L62 HydrophobicContact CB-CD2 3.86Å; A53-L62 HydrophobicContact CB-CG 3.9Å; A53-L65 HydrophobicContact CB-CD1 4.42Å |
| 54 | L | 72.5 | Confident | 69.2 | Low | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 172.1 | -72.3 | 171.9 | 0 | 0 | 0 | 111.6 | L50 Q51 N52 G57 L62 L76 P104 V116 L120 | L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 3.03Å; Q51-L54 PolarHBondContact O-N 3.3Å; N52-L54 PolarHBondContact O-N 2.99Å; L54-G57 PolarHBondContact O-N 3.49Å; L54-L62 HydrophobicContact CD2-CD1 3.91Å; L54-L62 HydrophobicContact CD2-CD2 3.65Å; L54-L62 HydrophobicContact CD2-CG 4.46Å; L54-L62 HydrophobicContact CG-CD2 3.8Å; L54-L76 HydrophobicContact CD1-CD1 4.32Å; L54-P104 HydrophobicContact CD1-CB 3.58Å; L54-P104 HydrophobicContact CD1-CG 3.76Å; L54-P104 HydrophobicContact CD2-CB 3.88Å; L54-P104 HydrophobicContact CG-CB 4.4Å; L54-V116 HydrophobicContact CD2-CG1 4.09Å; L54-L120 HydrophobicContact CD2-CD1 4.47Å |
| 55 | Y | 69.1 | Low | 69.8 | Low | 72 Ų | 72 | 60 Ų | 60 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.1 | -32.5 | -178.6 | -79.9 | -55.7 | 0 | 0 | 0 | 113.3 | Q51 N52 V107 R111 | Q51-Y55 HydrophobicContact CB-CD2 4.34Å; Q51-Y55 HydrophobicContact CB-CE2 4.32Å; Q51-Y55 WeakPolarHBondContact O-CB 3.36Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.48Å; Q51-Y55 PolarHBondContact O-N 3.35Å; N52-Y55 PolarHBondContact O-N 3.41Å; Y55-V107 HydrophobicContact CD1-CG1 3.42Å; Y55-V107 VanDerWaalsContact CD1-CG1 3.42Å; Y55-V107 HydrophobicContact CE1-CB 4.42Å; Y55-V107 HydrophobicContact CE1-CG1 3.48Å; Y55-V107 VanDerWaalsContact CE1-CG1 3.48Å; Y55-V107 HydrophobicContact CE1-CG2 4.02Å; Y55-V107 HydrophobicContact CG-CG1 4.3Å; Y55-R111 VanDerWaalsContact CD1-NH1 3.35Å; Y55-R111 VanDerWaalsContact CD1-NH2 3.29Å; Y55-R111 PolarHBondContact O-NH1 2.97Å |
| 56 | T | 72.4 | Confident | 70.2 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -87 | -9.2 | 175.7 | 59.9 | 0 | 0 | 0 | 0 | 113 | N52 A53 D58 | N52-T56 WeakPolarHBondContact O-CG2 3.38Å; N52-T56 PolarHBondContact O-N 3.05Å; N52-T56 PolarHBondContact O-OG1 3.19Å; A53-T56 PolarHBondContact O-OG1 3.05Å; T56-D58 VanDerWaalsContact C-N 3.28Å; T56-D58 PolarHBondContact O-N 3.17Å |
| 57 | G | 70.1 | Confident | 70.2 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 25.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A53 L54 L59 | A53-G57 PolarHBondContact O-N 3Å; L54-G57 PolarHBondContact O-N 3.49Å; G57-L59 PolarHBondContact O-N 2.92Å |
| 58 | D | 76.6 | Confident | 69.8 | Low | 54 Ų | 54 | 55.5 Ų | 55.5 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | trans | -78.1 | 91 | -176.3 | -171 | -10.8 | 0 | 0 | 0 | 110.3 | A53 T56 A60 R61 L62 | A53-D58 PolarHBondContact O-N 2.9Å; T56-D58 VanDerWaalsContact C-N 3.28Å; T56-D58 PolarHBondContact O-N 3.17Å; D58-A60 VanDerWaalsContact C-N 3.32Å; D58-A60 PolarHBondContact O-N 3.45Å; D58-A60 PolarHBondContact OD1-N 2.97Å; D58-R61 HydrophobicContact CB-CB 4.3Å; D58-R61 PolarHBondContact O-N 3.25Å; D58-R61 PolarHBondContact OD1-N 3.24Å; D58-R61 VanDerWaalsContact OD2-CD 3.3Å; D58-R61 WeakPolarHBondContact OD2-CD 3.49Å; D58-R61 WeakPolarHBondContact OD2-CG 3.3Å; D58-R61 IonicContact OD2-NE 3.75Å; D58-L62 WeakPolarHBondContact O-CG 3.34Å; D58-L62 PolarHBondContact O-N 3.44Å | ||
| 59 | L | 75.6 | Confident | 69.3 | Low | 46 Ų | 46 | 58.3 Ų | 58.3 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -36.5 | -175 | -179.3 | 131.9 | 0 | 0 | 0 | 112.9 | G57 L62 Q63 E115 | G57-L59 PolarHBondContact O-N 2.92Å; L59-L62 PolarHBondContact O-N 3.16Å; L59-Q63 VanDerWaalsContact CD2-NE2 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 3.35Å; L59-E115 HydrophobicContact CD1-CB 3.53Å |
| 60 | A | 76.6 | Confident | 69 | Low | 57 Ų | 57 | 58 Ų | 58 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D58 L62 Q63 D64 | D58-A60 VanDerWaalsContact C-N 3.32Å; D58-A60 PolarHBondContact O-N 3.45Å; D58-A60 PolarHBondContact OD1-N 2.97Å; A60-L62 VanDerWaalsContact C-N 3.31Å; A60-L62 PolarHBondContact O-N 3.08Å; A60-Q63 PolarHBondContact O-N 3.2Å; A60-D64 PolarHBondContact O-N 3.49Å; A60-D64 VanDerWaalsContact O-N 3.1Å |
| 61 | R | 73.7 | Confident | 68.4 | Low | 106 Ų | 106 | 60.9 Ų | 60.9 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 175.7 | -75.8 | -166.7 | 172.2 | 155.6 | 6.9 | 113.1 | A53 D58 D64 L65 | A53-R61 HydrophobicContact CB-CB 4.07Å; D58-R61 HydrophobicContact CB-CB 4.3Å; D58-R61 PolarHBondContact O-N 3.25Å; D58-R61 PolarHBondContact OD1-N 3.24Å; D58-R61 VanDerWaalsContact OD2-CD 3.3Å; D58-R61 WeakPolarHBondContact OD2-CD 3.49Å; D58-R61 WeakPolarHBondContact OD2-CG 3.3Å; D58-R61 IonicContact OD2-NE 3.75Å; R61-D64 PolarHBondContact O-N 2.86Å; R61-L65 VanDerWaalsContact O-CB 3.32Å; R61-L65 WeakPolarHBondContact O-CB 3.31Å; R61-L65 WeakPolarHBondContact O-CD1 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.21Å; R61-L65 PolarHBondContact O-N 3.02Å |
| 62 | L | 73.3 | Confident | 67.9 | Low | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 175.6 | -75.4 | 169.7 | 0 | 0 | 0 | 112 | A53 L54 D58 L59 A60 D64 L65 F66 V116 L119 | A53-L62 HydrophobicContact CB-CD2 3.86Å; A53-L62 HydrophobicContact CB-CG 3.9Å; L54-L62 HydrophobicContact CD2-CD1 3.91Å; L54-L62 HydrophobicContact CD2-CD2 3.65Å; L54-L62 HydrophobicContact CD2-CG 4.46Å; L54-L62 HydrophobicContact CG-CD2 3.8Å; D58-L62 WeakPolarHBondContact O-CG 3.34Å; D58-L62 PolarHBondContact O-N 3.44Å; L59-L62 PolarHBondContact O-N 3.16Å; A60-L62 VanDerWaalsContact C-N 3.31Å; A60-L62 PolarHBondContact O-N 3.08Å; L62-D64 VanDerWaalsContact C-N 3.32Å; L62-D64 PolarHBondContact O-N 3.08Å; L62-L65 PolarHBondContact O-N 3.22Å; L62-F66 VanDerWaalsContact O-CB 3.29Å; L62-F66 WeakPolarHBondContact O-CB 3.43Å; L62-F66 PolarHBondContact O-N 3.37Å; L62-V116 HydrophobicContact CD1-CB 4.28Å; L62-V116 HydrophobicContact CD1-CG1 3.58Å; L62-V116 HydrophobicContact CD1-CG2 3.71Å; L62-L119 HydrophobicContact CB-CD2 4.36Å |
| 63 | Q | 73.8 | Confident | 67.3 | Low | 102 Ų | 102 | 60.3 Ų | 60.3 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 175.4 | -72.6 | 178.6 | -0.7 | 0 | 0 | 112.6 | L59 A60 L119 | L59-Q63 VanDerWaalsContact CD2-NE2 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 3.35Å; A60-Q63 PolarHBondContact O-N 3.2Å; Q63-L119 HydrophobicContact CG-CD1 4.18Å; Q63-L119 HydrophobicContact CG-CD2 4.14Å |
| 64 | D | 73.4 | Confident | 66.9 | Low | 137 Ų | 137 | 61 Ų | 61 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70.7 | -39.5 | 176.2 | -66.8 | -23.8 | 0 | 0 | 0 | 112.2 | A60 R61 L62 | A60-D64 PolarHBondContact O-N 3.49Å; A60-D64 VanDerWaalsContact O-N 3.1Å; R61-D64 PolarHBondContact O-N 2.86Å; L62-D64 VanDerWaalsContact C-N 3.32Å; L62-D64 PolarHBondContact O-N 3.08Å |
| 65 | L | 68.8 | Low | 66.2 | Low | 68 Ų | 68 | 61.6 Ų | 61.6 | 36% | 0.356 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -83.7 | -24.8 | -176.9 | -65.1 | 171.1 | 0 | 0 | 0 | 113.2 | A49 A53 R61 L62 P67 | A49-L65 HydrophobicContact CB-CD1 4.36Å; A53-L65 HydrophobicContact CB-CD1 4.42Å; R61-L65 VanDerWaalsContact O-CB 3.32Å; R61-L65 WeakPolarHBondContact O-CB 3.31Å; R61-L65 WeakPolarHBondContact O-CD1 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.21Å; R61-L65 PolarHBondContact O-N 3.02Å; L62-L65 PolarHBondContact O-N 3.22Å; L65-P67 VanDerWaalsContact O-CD 3.24Å; L65-P67 WeakPolarHBondContact O-CD 3.39Å |
| 66 | F | 65.3 | Low | 65.7 | Low | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -101 | 99.1 | 175.2 | -99.9 | -91.7 | 0 | 0 | 0 | 111.9 | L50 L62 A72 L74 | L50-F66 HydrophobicContact CD1-CD2 3.86Å; L50-F66 HydrophobicContact CD1-CE2 3.58Å; L50-F66 HydrophobicContact CD1-CZ 4.41Å; L50-F66 HydrophobicContact CD2-CE2 4.1Å; L50-F66 HydrophobicContact CG-CD2 4.49Å; L50-F66 HydrophobicContact CG-CE2 4.09Å; L62-F66 VanDerWaalsContact O-CB 3.29Å; L62-F66 WeakPolarHBondContact O-CB 3.43Å; L62-F66 PolarHBondContact O-N 3.37Å; F66-A72 HydrophobicContact CE1-CB 4.38Å; F66-L74 HydrophobicContact CE1-CD1 4.26Å; F66-L74 HydrophobicContact CE2-CD1 4.25Å; F66-L74 HydrophobicContact CZ-CD1 3.53Å |
| 67 | P | 61.2 | Low | 64.6 | Low | 77 Ų | 77 | 58.1 Ų | 58.1 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | trans | -64.6 | 154.4 | 173.3 | 25 | -31.9 | 0 | 0 | 0 | 111.5 | L65 H69 S70 | L65-P67 VanDerWaalsContact O-CD 3.24Å; L65-P67 WeakPolarHBondContact O-CD 3.39Å; P67-H69 PolarHBondContact O-N 3.49Å; P67-S70 PolarHBondContact O-N 3.18Å; P67-S70 VanDerWaalsContact O-N 3.08Å | ||
| 68 | P | 56.9 | Low | 63.6 | Low | 75 Ų | 75 | 61.1 Ų | 61.1 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.6 | -166 | 22.1 | -33.4 | 0 | 0 | 0 | 116.3 | R123 | P68-R123 VanDerWaalsContact CA-CZ 3.47Å; P68-R123 PolarHBondContact O-NH1 2.96Å |
| 69 | H | 51.9 | Low | 62.2 | Low | 179 Ų | 179 | 66.7 Ų | 66.7 | 83% | 0.829 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 3.9 | -177.9 | -55.5 | -57.2 | 0 | 0 | 0 | 114.1 | P67 | P67-H69 PolarHBondContact O-N 3.49Š|
| 70 | S | 61.1 | Low | 60.7 | Low | 43 Ų | 43 | 70 Ų | 70 | 30% | 0.301 | 38% | 0.38 | S | S | . | . | trans | -79.2 | 137.7 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | P67 | P67-S70 PolarHBondContact O-N 3.18Å; P67-S70 VanDerWaalsContact O-N 3.08Å | ||
| 71 | T | 56.6 | Low | 58.8 | Low | 75 Ų | 75 | 71.9 Ų | 71.9 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | trans | -81.6 | 126.1 | 174.4 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | D73 | T71-D73 PolarHBondContact O-N 3.13Š| ||
| 72 | A | 57.3 | Low | 56.9 | Low | 5 Ų | 5 | 73 Ų | 73 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -74.7 | 4.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F66 L74 L120 R123 A125 | F66-A72 HydrophobicContact CE1-CB 4.38Å; A72-L74 PolarHBondContact O-N 2.94Å; A72-L120 HydrophobicContact CB-CD2 3.94Å; A72-R123 HydrophobicContact CB-CB 4.28Å; A72-A125 HydrophobicContact CB-CB 3.86Å |
| 73 | D | 55.9 | Low | 55.2 | Low | 58 Ų | 58 | 79.1 Ų | 79.1 | 31% | 0.31 | 45% | 0.445 | S | S | . | . | trans | -75.9 | 50.8 | 176 | -67.4 | -9.3 | 0 | 0 | 0 | 111.4 | T71 | T71-D73 PolarHBondContact O-N 3.13Š| ||
| 74 | L | 63.9 | Low | 53.2 | Low | 18 Ų | 18 | 84.3 Ų | 84.3 | 9% | 0.094 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 140.6 | 174.7 | -62.1 | 172.7 | 0 | 0 | 0 | 109.8 | L43 C45 F66 A72 P104 | L43-L74 HydrophobicContact CB-CD2 3.56Å; L43-L74 VanDerWaalsContact O-CA 3.27Å; L43-L74 WeakPolarHBondContact O-CA 3.24Å; L43-L74 WeakPolarHBondContact O-CD2 3.39Å; C45-L74 HydrophobicContact CB-CB 4.08Å; C45-L74 HydrophobicContact CB-CD1 3.98Å; C45-L74 HydrophobicContact CB-CD2 4.33Å; C45-L74 HydrophobicContact CB-CG 4.36Å; F66-L74 HydrophobicContact CE1-CD1 4.26Å; F66-L74 HydrophobicContact CE2-CD1 4.25Å; F66-L74 HydrophobicContact CZ-CD1 3.53Å; A72-L74 PolarHBondContact O-N 2.94Å; L74-P104 HydrophobicContact CB-CG 4.21Å; L74-P104 WeakPolarHBondContact O-CD 3.42Å |
| 75 | L | 56.8 | Low | 51.6 | Low | 14 Ų | 14 | 87.9 Ų | 87.9 | 7% | 0.073 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.6 | 164.5 | -67.7 | -175.6 | 0 | 0 | 0 | 109.5 | P42 L43 L44 C45 L101 T103 P131 | P42-L75 HydrophobicContact CB-CB 4.19Å; P42-L75 HydrophobicContact CB-CD1 3.16Å; P42-L75 HydrophobicContact CB-CG 3.46Å; P42-L75 VanDerWaalsContact CB-CG 3.46Å; P42-L75 HydrophobicContact CG-CD1 3.33Å; P42-L75 HydrophobicContact CG-CG 4.2Å; L43-L75 PolarHBondContact O-N 3.49Å; L44-L75 CarbonylContact C-O 3.44Å; L44-L75 WeakPolarHBondContact CA-O 3.39Å; L44-L75 HydrophobicContact CD1-CB 4.32Å; C45-L75 PolarHBondContact N-O 2.86Å; L75-L101 HydrophobicContact CD1-CD2 3.57Å; L75-T103 HydrophobicContact CD2-CG2 3.95Å; L75-P131 HydrophobicContact CD2-CB 3.76Å; L75-P131 HydrophobicContact CD2-CG 3.66Å |
| 76 | L | 58.4 | Low | 49.7 | Very low | 4 Ų | 4 | 89.8 Ų | 89.8 | 2% | 0.021 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120 | 176 | -56.9 | -179.1 | 0 | 0 | 0 | 109 | C45 Q51 L54 T102 V107 | C45-L76 HydrophobicContact CB-CD2 3.92Å; Q51-L76 HydrophobicContact CG-CD2 3.88Å; L54-L76 HydrophobicContact CD1-CD1 4.32Å; L76-T102 PolarHBondContact N-O 2.98Å; L76-V107 HydrophobicContact CD1-CG2 4.06Å |
| 77 | E | 50.3 | Low | 48.3 | Very low | 73 Ų | 73 | 92.4 Ų | 92.4 | 34% | 0.341 | 50% | 0.501 | S | S | . | . | trans | -87.3 | 112.1 | 171.6 | -162.8 | 178.7 | -144.3 | 0 | 0 | 108.7 | L44 R46 R79 | L44-E77 HydrophobicContact CD1-CB 3.7Å; L44-E77 HydrophobicContact CD1-CG 4.38Å; L44-E77 HydrophobicContact CD2-CB 3.99Å; L44-E77 HydrophobicContact CD2-CG 4.3Å; L44-E77 WeakPolarHBondContact CD2-OE2 3.29Å; L44-E77 HydrophobicContact CG-CB 3.92Å; R46-E77 IonicContact NE-OE2 3.33Å; E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 PolarHBondContact O-N 3.01Å; E77-R79 IonicContact OE2-CZ 2.66Å; E77-R79 IonicContact OE2-NE 3.81Å; E77-R79 PolarHBondContact OE2-NE 3.3Å; E77-R79 IonicContact OE2-NH2 3.43Å | ||
| 78 | S | 48.1 | Very low | 46.9 | Very low | 85 Ų | 85 | 96.9 Ų | 96.9 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | trans | -80.4 | 98.7 | 161.9 | 61.7 | 0 | 0 | 0 | 0 | 108.1 | S80 | S78-S80 PolarHBondContact O-N 3.37Š| ||
| 79 | R | 47.6 | Very low | 46 | Very low | 171 Ų | 171 | 102.4 Ų | 102.4 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | trans | -67.9 | 105.1 | 172.8 | -76.2 | -171.5 | -176.9 | -162.4 | -2 | 109.9 | E77 A81 | E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 PolarHBondContact O-N 3.01Å; E77-R79 IonicContact OE2-CZ 2.66Å; E77-R79 IonicContact OE2-NE 3.81Å; E77-R79 PolarHBondContact OE2-NE 3.3Å; E77-R79 IonicContact OE2-NH2 3.43Å; R79-A81 PolarHBondContact O-N 3.02Å | ||
| 80 | S | 44.5 | Very low | 45.4 | Very low | 115 Ų | 115 | 102.7 Ų | 102.7 | 80% | 0.804 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 111.1 | 164.2 | 54.4 | 0 | 0 | 0 | 0 | 110 | S78 | S78-S80 PolarHBondContact O-N 3.37Š|
| 81 | A | 36.5 | Very low | 44.3 | Very low | 97 Ų | 97 | 104 Ų | 104 | 80% | 0.802 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 176.3 | -19.2 | 142.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R79 | R79-A81 PolarHBondContact O-N 3.02Š|
| 82 | E | 32.4 | Very low | 43.4 | Very low | 129 Ų | 129 | 104.3 Ų | 104.3 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | trans | -139.5 | 124.2 | -176.8 | -70 | -170.1 | 174.6 | 0 | 0 | 114.3 | R84 | E82-R84 HydrophobicContact CB-CG 4.29Å; E82-R84 PolarHBondContact O-N 3.23Å; E82-R84 VanDerWaalsContact O-N 3.15Å; E82-R84 IonicContact OE2-CZ 3.08Å; E82-R84 IonicContact OE2-NE 3.87Å; E82-R84 PolarHBondContact OE2-NE 3.1Å; E82-R84 IonicContact OE2-NH2 2.71Å; E82-R84 PolarHBondContact OE2-NH2 2.95Å | ||
| 83 | P | 37.8 | Very low | 42.4 | Very low | 130 Ų | 130 | 114.8 Ų | 114.8 | 84% | 0.844 | 59% | 0.586 | S | S | * | * | trans | -74.1 | 102.1 | 165.2 | 30.8 | -29.5 | 0 | 0 | 0 | 108.2 | ||||
| 84 | R | 33 | Very low | 41.2 | Very low | 212 Ų | 212 | 117.5 Ų | 117.5 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | trans | -95.9 | 100.3 | 171.9 | -67.5 | -165 | -173.3 | -161.6 | 4.2 | 110.4 | E82 | E82-R84 HydrophobicContact CB-CG 4.29Å; E82-R84 PolarHBondContact O-N 3.23Å; E82-R84 VanDerWaalsContact O-N 3.15Å; E82-R84 IonicContact OE2-CZ 3.08Å; E82-R84 IonicContact OE2-NE 3.87Å; E82-R84 PolarHBondContact OE2-NE 3.1Å; E82-R84 IonicContact OE2-NH2 2.71Å; E82-R84 PolarHBondContact OE2-NH2 2.95Å | ||
| 85 | W | 39.6 | Very low | 40 | Very low | 212 Ų | 212 | 123.4 Ų | 123.4 | 80% | 0.803 | 64% | 0.64 | S | S | * | * | trans | -75.5 | 135.3 | 165 | 177.4 | 93.5 | 0 | 0 | 0 | 109.7 | S87 | W85-S87 WeakPolarHBondContact CH2-OG 3.25Å; W85-S87 WeakPolarHBondContact CZ2-OG 3.38Å | ||
| 86 | S | 29.2 | Very low | 38.9 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | -144.8 | 109.9 | 149.7 | 68.4 | 0 | 0 | 0 | 0 | 108.3 | H88 | S86-H88 PolarHBondContact O-N 3.2Š| ||
| 87 | S | 34.1 | Very low | 37.8 | Very low | 61 Ų | 61 | 136.4 Ų | 136.4 | 43% | 0.427 | 71% | 0.707 | S | S | . | * | trans | -61.7 | 105.5 | 171.1 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | W85 | W85-S87 WeakPolarHBondContact CH2-OG 3.25Å; W85-S87 WeakPolarHBondContact CZ2-OG 3.38Å | ||
| 88 | H | 32.3 | Very low | 37.4 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -173 | 110.6 | 136.6 | -85.4 | -55.4 | 0 | 0 | 0 | 108.4 | S86 R90 | S86-H88 PolarHBondContact O-N 3.2Å; H88-R90 PolarHBondContact O-N 2.95Å |
| 89 | E | 37.8 | Very low | 37.3 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 73.7 | 4.4 | 152.7 | -60.9 | -171.3 | 166.1 | 0 | 0 | 122.9 | ||
| 90 | R | 39.7 | Very low | 37.4 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | trans | -138 | 113.6 | 168.7 | -67.1 | -173.6 | 179.1 | 170.3 | 2.7 | 112.3 | H88 L92 | H88-R90 PolarHBondContact O-N 2.95Å; R90-L92 PolarHBondContact O-N 3.31Å | ||
| 91 | G | 37.7 | Very low | 38 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -71.4 | 112.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 92 | L | 37.8 | Very low | 39.5 | Very low | 81 Ų | 81 | 136 Ų | 136 | 42% | 0.424 | 68% | 0.677 | S | S | . | * | trans | -129.8 | 122.9 | 170.3 | -84.7 | 151.2 | 0 | 0 | 0 | 108.9 | N52 R90 | N52-L92 HydrophobicContact CB-CD1 4.05Å; N52-L92 HydrophobicContact CB-CD2 4.02Å; N52-L92 VanDerWaalsContact ND2-CD1 3.29Å; N52-L92 WeakPolarHBondContact ND2-CD1 3.18Å; N52-L92 VanDerWaalsContact OD1-CD1 3.23Å; N52-L92 WeakPolarHBondContact OD1-CD1 3.33Å; N52-L92 WeakPolarHBondContact OD1-CD2 3.42Å; R90-L92 PolarHBondContact O-N 3.31Å | ||
| 93 | W | 36.3 | Very low | 41.5 | Very low | 226 Ų | 226 | 130.2 Ų | 130.2 | 86% | 0.856 | 65% | 0.651 | S | S | * | * | trans | -92.1 | 119.9 | 178.1 | -63.8 | 86.3 | 0 | 0 | 0 | 108.9 | ||||
| 94 | S | 32.1 | Very low | 43.4 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | -80.6 | 129.1 | 162.6 | 177.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 95 | L | 37.8 | Very low | 45.7 | Very low | 141 Ų | 141 | 114.2 Ų | 114.2 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | trans | -109.9 | 129.7 | 168.6 | -74.6 | 172.1 | 0 | 0 | 0 | 109.5 | ||||
| 96 | T | 33.1 | Very low | 47.7 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 77% | 0.767 | 54% | 0.539 | S | S | * | . | trans | -58.5 | 147 | 164.8 | 44.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 97 | F | 36.9 | Very low | 50.2 | Low | 167 Ų | 167 | 100.3 Ų | 100.3 | 73% | 0.732 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 100.6 | 106.8 | 157.4 | -126.7 | -95 | 0 | 0 | 0 | 118.4 | E99 | F97-E99 PolarHBondContact O-N 3.37Š|
| 98 | E | 40.2 | Very low | 52.6 | Low | 160 Ų | 160 | 97.4 Ų | 97.4 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | trans | 40.3 | 50.8 | 145.2 | -55.7 | -170.6 | 174 | 0 | 0 | 121.6 | ||||
| 99 | E | 47.4 | Very low | 55.2 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 49% | 0.486 | 45% | 0.449 | S | S | . | . | trans | -119.8 | 79.5 | 161.3 | -63.3 | -176.6 | 168.9 | 0 | 0 | 110.5 | F97 L101 T102 | F97-E99 PolarHBondContact O-N 3.37Å; E99-L101 PolarHBondContact O-N 3.31Å; E99-T102 HydrophobicContact CB-CG2 3.47Å; E99-T102 VanDerWaalsContact CB-CG2 3.47Å; E99-T102 HydrophobicContact CG-CG2 4.31Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.22Å | ||
| 100 | E | 49.5 | Very low | 57.5 | Low | 171 Ų | 171 | 82.6 Ų | 82.6 | 80% | 0.799 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -2.5 | -178.4 | -65.9 | -170 | 153.3 | 0 | 0 | 113.9 | ||
| 101 | L | 57.6 | Low | 59.6 | Low | 79 Ų | 79 | 78.3 Ų | 78.3 | 41% | 0.414 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.4 | 61 | -170.4 | -62.6 | 172.4 | 0 | 0 | 0 | 113 | L75 E99 P131 G132 | L75-L101 HydrophobicContact CD1-CD2 3.57Å; E99-L101 PolarHBondContact O-N 3.31Å; L101-P131 HydrophobicContact CB-CB 4.07Å; L101-P131 WeakPolarHBondContact CD1-O 3.3Å; L101-P131 WeakPolarHBondContact O-CG 3.2Å; L101-G132 PolarHBondContact O-N 3.3Å |
| 102 | T | 66.7 | Low | 61.9 | Low | 17 Ų | 17 | 76 Ų | 76 | 10% | 0.104 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -96.2 | 139.3 | 174.9 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | L76 E99 | L76-T102 PolarHBondContact N-O 2.98Å; E99-T102 HydrophobicContact CB-CG2 3.47Å; E99-T102 VanDerWaalsContact CB-CG2 3.47Å; E99-T102 HydrophobicContact CG-CG2 4.31Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.22Å |
| 103 | T | 75 | Confident | 64.3 | Low | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.055 | 37% | 0.374 | C | S | . | . | trans | -98 | 156.6 | 171 | 79.6 | 0 | 0 | 0 | 0 | 111.1 | L75 L105 H106 V107 P131 | L75-T103 HydrophobicContact CD2-CG2 3.95Å; T103-L105 PolarHBondContact O-N 3.42Å; T103-L105 WeakPolarHBondContact OG1-CB 3.39Å; T103-L105 PolarHBondContact OG1-N 3.31Å; T103-H106 WeakPolarHBondContact O-CB 3.25Å; T103-H106 PolarHBondContact O-N 2.96Å; T103-H106 PolarHBondContact OG1-CE1 3Å; T103-H106 PolarHBondContact OG1-N 3.18Å; T103-H106 PolarHBondContact OG1-ND1 3.35Å; T103-V107 PolarHBondContact O-N 3.44Å; T103-P131 HydrophobicContact CG2-CG 3.56Å | ||
| 104 | P | 76.7 | Confident | 66.8 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -49.4 | -32.4 | 170.5 | -30.8 | 36.5 | 0 | 0 | 0 | 114 | L54 L74 A108 L120 | L54-P104 HydrophobicContact CD1-CB 3.58Å; L54-P104 HydrophobicContact CD1-CG 3.76Å; L54-P104 HydrophobicContact CD2-CB 3.88Å; L54-P104 HydrophobicContact CG-CB 4.4Å; L74-P104 HydrophobicContact CB-CG 4.21Å; L74-P104 WeakPolarHBondContact O-CD 3.42Å; P104-A108 WeakPolarHBondContact O-CB 3.43Å; P104-A108 PolarHBondContact O-N 3.3Å; P104-A108 VanDerWaalsContact O-N 3.08Å; P104-L120 HydrophobicContact CB-CD1 3.87Å; P104-L120 HydrophobicContact CB-CD2 4.11Å |
| 105 | L | 82.5 | Confident | 69.4 | Low | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 178.8 | -163.5 | 73.3 | 0 | 0 | 0 | 111.8 | T103 A109 L117 L120 L121 A125 A136 L152 | T103-L105 PolarHBondContact O-N 3.42Å; T103-L105 WeakPolarHBondContact OG1-CB 3.39Å; T103-L105 PolarHBondContact OG1-N 3.31Å; L105-A109 VanDerWaalsContact O-CB 3.25Å; L105-A109 WeakPolarHBondContact O-CB 3.47Å; L105-A109 PolarHBondContact O-N 3.26Å; L105-L117 HydrophobicContact CD1-CD1 3.69Å; L105-L117 HydrophobicContact CD1-CG 3.96Å; L105-L117 HydrophobicContact CG-CD1 4.14Å; L105-L120 HydrophobicContact CD1-CB 4.07Å; L105-L120 HydrophobicContact CD1-CD1 4.39Å; L105-L121 HydrophobicContact CD1-CD2 4.1Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 4.38Å; L105-A125 HydrophobicContact CD1-CB 4.42Å; L105-A136 HydrophobicContact CB-CB 4.3Å; L105-A136 HydrophobicContact CD2-CB 3.73Å; L105-A136 HydrophobicContact CG-CB 3.72Å; L105-L152 HydrophobicContact CD1-CD2 4.43Å; L105-L152 HydrophobicContact CD2-CD2 4.14Å; L105-L152 HydrophobicContact CG-CD2 4.36Å |
| 106 | H | 82.4 | Confident | 71.6 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 7% | 0.069 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 176.8 | -66.5 | 79.6 | 0 | 0 | 0 | 111.3 | T103 A108 A109 S110 S129 R134 T135 A136 E139 | T103-H106 WeakPolarHBondContact O-CB 3.25Å; T103-H106 PolarHBondContact O-N 2.96Å; T103-H106 PolarHBondContact OG1-CE1 3Å; T103-H106 PolarHBondContact OG1-N 3.18Å; T103-H106 PolarHBondContact OG1-ND1 3.35Å; H106-A108 PolarHBondContact O-N 3.47Å; H106-A109 PolarHBondContact O-N 3.2Å; H106-S110 VanDerWaalsContact O-CB 3.31Å; H106-S110 WeakPolarHBondContact O-CB 3.45Å; H106-S110 PolarHBondContact O-N 3.46Å; H106-S129 PolarHBondContact CE1-O 3.31Å; H106-S129 PolarHBondContact NE2-O 3.48Å; H106-R134 PolarHBondContact NE2-O 3.26Å; H106-T135 WeakPolarHBondContact NE2-CA 3.43Å; H106-A136 PolarHBondContact CD2-N 3Å; H106-A136 PolarHBondContact NE2-N 2.75Å; H106-A136 VanDerWaalsContact NE2-N 3.19Å; H106-E139 HydrophobicContact CB-CG 4.38Å |
| 107 | V | 81 | Confident | 74.1 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | Y55 L76 T103 A109 R111 | Y55-V107 HydrophobicContact CD1-CG1 3.42Å; Y55-V107 VanDerWaalsContact CD1-CG1 3.42Å; Y55-V107 HydrophobicContact CE1-CB 4.42Å; Y55-V107 HydrophobicContact CE1-CG1 3.48Å; Y55-V107 VanDerWaalsContact CE1-CG1 3.48Å; Y55-V107 HydrophobicContact CE1-CG2 4.02Å; Y55-V107 HydrophobicContact CG-CG1 4.3Å; L76-V107 HydrophobicContact CD1-CG2 4.06Å; T103-V107 PolarHBondContact O-N 3.44Å; V107-A109 VanDerWaalsContact C-N 3.33Å; V107-A109 PolarHBondContact O-N 2.95Å; V107-R111 PolarHBondContact O-N 3.2Å |
| 108 | A | 84.8 | Confident | 76.5 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P104 H106 G112 H113 V116 L117 L120 | P104-A108 WeakPolarHBondContact O-CB 3.43Å; P104-A108 PolarHBondContact O-N 3.3Å; P104-A108 VanDerWaalsContact O-N 3.08Å; H106-A108 PolarHBondContact O-N 3.47Å; A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.14Å; A108-H113 HydrophobicContact CB-CB 4.35Å; A108-H113 PolarHBondContact O-N 2.99Å; A108-V116 HydrophobicContact CB-CB 4.41Å; A108-V116 HydrophobicContact CB-CG1 4.06Å; A108-L117 HydrophobicContact CB-CB 4.31Å; A108-L117 HydrophobicContact CB-CD1 4.11Å; A108-L120 HydrophobicContact CB-CD1 4.31Å |
| 109 | A | 86.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -48 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L105 H106 V107 R111 G112 L117 A136 E139 A140 H145 L152 | L105-A109 VanDerWaalsContact O-CB 3.25Å; L105-A109 WeakPolarHBondContact O-CB 3.47Å; L105-A109 PolarHBondContact O-N 3.26Å; H106-A109 PolarHBondContact O-N 3.2Å; V107-A109 VanDerWaalsContact C-N 3.33Å; V107-A109 PolarHBondContact O-N 2.95Å; A109-R111 VanDerWaalsContact C-N 3.28Å; A109-R111 PolarHBondContact O-N 3.46Å; A109-G112 PolarHBondContact O-N 3.36Å; A109-L117 HydrophobicContact CB-CD1 3.96Å; A109-A136 HydrophobicContact CB-CB 4.09Å; A109-A136 WeakPolarHBondContact CB-O 3.43Å; A109-E139 HydrophobicContact CB-CB 4.39Å; A109-A140 HydrophobicContact CB-CB 4.11Å; A109-H145 PolarHBondContact O-CD2 3Å; A109-L152 HydrophobicContact CB-CD1 4.37Å |
| 110 | S | 85.6 | Confident | 80.3 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.5 | -32.7 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 112.9 | H106 A143 H145 | H106-S110 VanDerWaalsContact O-CB 3.31Å; H106-S110 WeakPolarHBondContact O-CB 3.45Å; H106-S110 PolarHBondContact O-N 3.46Å; S110-A143 WeakPolarHBondContact O-CB 3.45Å; S110-H145 PolarHBondContact O-CD2 3.02Å; S110-H145 PolarHBondContact O-NE2 2.94Å |
| 111 | R | 84.3 | Confident | 81.9 | Confident | 95 Ų | 95 | 31.4 Ų | 31.4 | 36% | 0.358 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -98.5 | -4 | -178.7 | -64.4 | -166.5 | 176.1 | -175.9 | 1.6 | 115.3 | Y55 V107 A109 | Y55-R111 VanDerWaalsContact CD1-NH1 3.35Å; Y55-R111 VanDerWaalsContact CD1-NH2 3.29Å; Y55-R111 PolarHBondContact O-NH1 2.97Å; V107-R111 PolarHBondContact O-N 3.2Å; A109-R111 VanDerWaalsContact C-N 3.28Å; A109-R111 PolarHBondContact O-N 3.46Å |
| 112 | G | 85.1 | Confident | 83.2 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 21.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A108 A109 T114 H145 C148 | A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.14Å; A109-G112 PolarHBondContact O-N 3.36Å; G112-T114 VanDerWaalsContact C-N 3.31Å; G112-T114 PolarHBondContact O-N 3.03Å; G112-H145 WeakPolarHBondContact CA-CD2 3.25Å; G112-H145 PolarHBondContact N-CD2 3.33Å; G112-H145 PolarHBondContact N-NE2 3.2Å; G112-C148 VanDerWaalsContact CA-SG 3.58Å |
| 113 | H | 87.9 | Confident | 83.8 | Confident | 50 Ų | 50 | 39.8 Ų | 39.8 | 23% | 0.231 | 19% | 0.188 | C | C | . | . | trans | -80.4 | 75.7 | 178.8 | -62.2 | -33.3 | 0 | 0 | 0 | 111.6 | A108 E115 V116 L117 | A108-H113 HydrophobicContact CB-CB 4.35Å; A108-H113 PolarHBondContact O-N 2.99Å; H113-E115 PolarHBondContact O-N 3.07Å; H113-V116 HydrophobicContact CB-CB 4.01Å; H113-V116 HydrophobicContact CB-CG2 4.13Å; H113-V116 PolarHBondContact O-N 3.18Å; H113-L117 WeakPolarHBondContact O-CB 3.42Å; H113-L117 PolarHBondContact O-N 3.09Å | ||
| 114 | T | 89.5 | Confident | 83.9 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.8 | -42.3 | -174.6 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | G112 L117 Q118 A147 | G112-T114 VanDerWaalsContact C-N 3.31Å; G112-T114 PolarHBondContact O-N 3.03Å; T114-L117 WeakPolarHBondContact O-CB 3.13Å; T114-L117 PolarHBondContact O-N 3.07Å; T114-Q118 WeakPolarHBondContact O-CG 3.26Å; T114-Q118 PolarHBondContact O-N 3.31Å; T114-A147 HydrophobicContact CG2-CB 3.49Å; T114-A147 VanDerWaalsContact CG2-CB 3.49Å |
| 115 | E | 86.7 | Confident | 84 | Confident | 123 Ų | 123 | 50.3 Ų | 50.3 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.1 | -40 | -178.7 | -56.7 | -173.9 | 168.4 | 0 | 0 | 112.1 | L59 H113 L117 Q118 L119 | L59-E115 HydrophobicContact CD1-CB 3.53Å; H113-E115 PolarHBondContact O-N 3.07Å; E115-L117 VanDerWaalsContact C-N 3.33Å; E115-Q118 PolarHBondContact O-N 2.94Å; E115-L119 PolarHBondContact O-N 3.43Å |
| 116 | V | 84 | Confident | 83.9 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 174 | 175.5 | 0 | 0 | 0 | 0 | 110 | L54 L62 A108 H113 Q118 L119 L120 | L54-V116 HydrophobicContact CD2-CG1 4.09Å; L62-V116 HydrophobicContact CD1-CB 4.28Å; L62-V116 HydrophobicContact CD1-CG1 3.58Å; L62-V116 HydrophobicContact CD1-CG2 3.71Å; A108-V116 HydrophobicContact CB-CB 4.41Å; A108-V116 HydrophobicContact CB-CG1 4.06Å; H113-V116 HydrophobicContact CB-CB 4.01Å; H113-V116 HydrophobicContact CB-CG2 4.13Å; H113-V116 PolarHBondContact O-N 3.18Å; V116-Q118 PolarHBondContact O-N 2.96Å; V116-L119 WeakPolarHBondContact O-CB 3.37Å; V116-L119 PolarHBondContact O-N 3.5Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.35Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.45Å |
| 117 | L | 86.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.6 | -166.8 | 104.5 | 0 | 0 | 0 | 111.6 | L105 A108 A109 H113 T114 E115 L119 L120 L121 C148 V151 L152 | L105-L117 HydrophobicContact CD1-CD1 3.69Å; L105-L117 HydrophobicContact CD1-CG 3.96Å; L105-L117 HydrophobicContact CG-CD1 4.14Å; A108-L117 HydrophobicContact CB-CB 4.31Å; A108-L117 HydrophobicContact CB-CD1 4.11Å; A109-L117 HydrophobicContact CB-CD1 3.96Å; H113-L117 WeakPolarHBondContact O-CB 3.42Å; H113-L117 PolarHBondContact O-N 3.09Å; T114-L117 WeakPolarHBondContact O-CB 3.13Å; T114-L117 PolarHBondContact O-N 3.07Å; E115-L117 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 3.1Å; L117-L120 PolarHBondContact O-N 3.14Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.49Å; L117-L121 PolarHBondContact O-N 2.92Å; L117-C148 HydrophobicContact CD2-CB 4.46Å; L117-V151 HydrophobicContact CD2-CB 3.72Å; L117-V151 HydrophobicContact CD2-CG1 3.53Å; L117-L152 HydrophobicContact CD1-CD2 4.16Å; L117-L152 HydrophobicContact CD1-CG 4.42Å; L117-L152 HydrophobicContact CD2-CD2 3.99Å; L117-L152 HydrophobicContact CD2-CG 3.79Å; L117-L152 HydrophobicContact CG-CD2 4.35Å |
| 118 | Q | 87.2 | Confident | 84 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 174.6 | -73.3 | -179.1 | 13.6 | 0 | 0 | 112.6 | T114 E115 V116 L121 R122 V151 | T114-Q118 WeakPolarHBondContact O-CG 3.26Å; T114-Q118 PolarHBondContact O-N 3.31Å; E115-Q118 PolarHBondContact O-N 2.94Å; V116-Q118 PolarHBondContact O-N 2.96Å; Q118-L121 PolarHBondContact O-N 3.21Å; Q118-R122 WeakPolarHBondContact O-CG 3.34Å; Q118-R122 PolarHBondContact O-N 2.86Å; Q118-V151 HydrophobicContact CG-CG1 3.71Å; Q118-V151 HydrophobicContact CG-CG2 4.04Å |
| 119 | L | 83.4 | Confident | 83.7 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 176 | -174.1 | 79.3 | 0 | 0 | 0 | 110.5 | L62 Q63 E115 V116 L117 L121 R122 R123 | L62-L119 HydrophobicContact CB-CD2 4.36Å; Q63-L119 HydrophobicContact CG-CD1 4.18Å; Q63-L119 HydrophobicContact CG-CD2 4.14Å; E115-L119 PolarHBondContact O-N 3.43Å; V116-L119 WeakPolarHBondContact O-CB 3.37Å; V116-L119 PolarHBondContact O-N 3.5Å; L117-L119 PolarHBondContact O-N 3.1Å; L119-L121 PolarHBondContact O-N 3.37Å; L119-R122 PolarHBondContact O-N 2.85Å; L119-R123 WeakPolarHBondContact O-CG 3.29Å; L119-R123 PolarHBondContact O-N 3.29Å; L119-R123 VanDerWaalsContact O-N 3.08Å |
| 120 | L | 82.8 | Confident | 83.3 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | -179.2 | -68.3 | 170.7 | 0 | 0 | 0 | 111.9 | L54 A72 P104 L105 A108 V116 L117 R123 A125 | L54-L120 HydrophobicContact CD2-CD1 4.47Å; A72-L120 HydrophobicContact CB-CD2 3.94Å; P104-L120 HydrophobicContact CB-CD1 3.87Å; P104-L120 HydrophobicContact CB-CD2 4.11Å; L105-L120 HydrophobicContact CD1-CB 4.07Å; L105-L120 HydrophobicContact CD1-CD1 4.39Å; A108-L120 HydrophobicContact CB-CD1 4.31Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.35Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.45Å; L117-L120 PolarHBondContact O-N 3.14Å; L120-R123 CarbonylContact O-C 3.56Å; L120-R123 WeakPolarHBondContact O-CA 3.37Å; L120-R123 WeakPolarHBondContact O-CB 3.41Å; L120-R123 PolarHBondContact O-N 3.37Å; L120-R123 VanDerWaalsContact O-N 3.08Å; L120-A125 HydrophobicContact CB-CB 4.31Å; L120-A125 WeakPolarHBondContact O-CB 3.42Å; L120-A125 PolarHBondContact O-N 2.83Å; L120-A125 VanDerWaalsContact O-N 3.16Å |
| 121 | L | 84.2 | Confident | 82.6 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.8 | -68.4 | 164.6 | 0 | 0 | 0 | 112.2 | L105 L117 Q118 L119 R123 R124 P127 V151 L152 A155 | L105-L121 HydrophobicContact CD1-CD2 4.1Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 4.38Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.49Å; L117-L121 PolarHBondContact O-N 2.92Å; Q118-L121 PolarHBondContact O-N 3.21Å; L119-L121 PolarHBondContact O-N 3.37Å; L121-R123 PolarHBondContact O-N 3.15Å; L121-R124 PolarHBondContact O-N 3.08Å; L121-P127 HydrophobicContact CD2-CB 4.31Å; L121-V151 HydrophobicContact CD1-CG1 3.55Å; L121-L152 HydrophobicContact CD1-CD2 4.36Å; L121-A155 HydrophobicContact CD1-CB 3.8Å; L121-A155 HydrophobicContact CD2-CB 3.89Å; L121-A155 HydrophobicContact CG-CB 4.31Å |
| 122 | R | 83.7 | Confident | 81.9 | Confident | 193 Ų | 193 | 59.6 Ų | 59.6 | 73% | 0.728 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.8 | -27.1 | 171.3 | -73.6 | 176.7 | -174.8 | 173.2 | 5.6 | 112.4 | Q118 L119 R124 | Q118-R122 WeakPolarHBondContact O-CG 3.34Å; Q118-R122 PolarHBondContact O-N 2.86Å; L119-R122 PolarHBondContact O-N 2.85Å; R122-R124 PolarHBondContact O-N 2.78Å |
| 123 | R | 79.8 | Confident | 81.6 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 22.3 | 174.1 | -60.4 | -61.8 | -177 | -157.4 | -3.6 | 113.5 | P68 A72 L119 L120 L121 A125 | P68-R123 VanDerWaalsContact CA-CZ 3.47Å; P68-R123 PolarHBondContact O-NH1 2.96Å; A72-R123 HydrophobicContact CB-CB 4.28Å; L119-R123 WeakPolarHBondContact O-CG 3.29Å; L119-R123 PolarHBondContact O-N 3.29Å; L119-R123 VanDerWaalsContact O-N 3.08Å; L120-R123 CarbonylContact O-C 3.56Å; L120-R123 WeakPolarHBondContact O-CA 3.37Å; L120-R123 WeakPolarHBondContact O-CB 3.41Å; L120-R123 PolarHBondContact O-N 3.37Å; L120-R123 VanDerWaalsContact O-N 3.08Å; L121-R123 PolarHBondContact O-N 3.15Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 PolarHBondContact O-N 3.07Å |
| 124 | R | 77.9 | Confident | 81.5 | Confident | 220 Ų | 220 | 61.3 Ų | 61.3 | 83% | 0.83 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 28.5 | 177.2 | -55.8 | -175.2 | 176.2 | -131.7 | 0.5 | 114.2 | L121 R122 K126 | L121-R124 PolarHBondContact O-N 3.08Å; R122-R124 PolarHBondContact O-N 2.78Å; R124-K126 PolarHBondContact O-N 3.24Å |
| 125 | A | 77.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | trans | -58.2 | 133.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A72 L105 L120 R123 P127 | A72-A125 HydrophobicContact CB-CB 3.86Å; L105-A125 HydrophobicContact CD1-CB 4.42Å; L120-A125 HydrophobicContact CB-CB 4.31Å; L120-A125 WeakPolarHBondContact O-CB 3.42Å; L120-A125 PolarHBondContact O-N 2.83Å; L120-A125 VanDerWaalsContact O-N 3.16Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 PolarHBondContact O-N 3.07Å; A125-P127 WeakPolarHBondContact O-CD 3.36Å | ||
| 126 | K | 80.4 | Confident | 81.6 | Confident | 132 Ų | 132 | 53.6 Ų | 53.6 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | trans | -77.1 | 121.8 | 176.1 | -65.2 | 177.1 | -172 | 170 | 0 | 110.1 | R124 D128 S129 | R124-K126 PolarHBondContact O-N 3.24Å; K126-D128 PolarHBondContact O-N 3.41Å; K126-S129 WeakPolarHBondContact O-CB 3.35Å; K126-S129 PolarHBondContact O-N 3.47Å | ||
| 127 | P | 82.6 | Confident | 82 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -36.1 | -178.3 | 25.7 | -33.2 | 0 | 0 | 0 | 112.9 | L121 A125 S129 A157 | L121-P127 HydrophobicContact CD2-CB 4.31Å; A125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-S129 VanDerWaalsContact C-N 3.26Å; P127-S129 PolarHBondContact O-N 3.19Å; P127-A157 HydrophobicContact CB-CB 3.96Å |
| 128 | D | 82.9 | Confident | 82.2 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 15 | -179.8 | -54.6 | -43.8 | 0 | 0 | 0 | 113.5 | K126 A130 A157 D158 | K126-D128 PolarHBondContact O-N 3.41Å; D128-A130 PolarHBondContact O-N 3.03Å; D128-A157 VanDerWaalsContact OD1-CA 3.3Å; D128-A157 WeakPolarHBondContact OD1-CA 3.41Å; D128-D158 PolarHBondContact OD1-N 2.97Å |
| 129 | S | 79.6 | Confident | 82.3 | Confident | 35 Ų | 35 | 51 Ų | 51 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | trans | -66.8 | 119 | 175.4 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | H106 K126 P127 P131 | H106-S129 PolarHBondContact CE1-O 3.31Å; H106-S129 PolarHBondContact NE2-O 3.48Å; K126-S129 WeakPolarHBondContact O-CB 3.35Å; K126-S129 PolarHBondContact O-N 3.47Å; P127-S129 VanDerWaalsContact C-N 3.26Å; P127-S129 PolarHBondContact O-N 3.19Å; S129-P131 VanDerWaalsContact C-CD 3.43Å; S129-P131 WeakPolarHBondContact O-CD 3.42Å | ||
| 130 | A | 79 | Confident | 82.7 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | trans | -125.9 | 65.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D128 G132 G133 R134 T135 | D128-A130 PolarHBondContact O-N 3.03Å; A130-G132 PolarHBondContact O-N 3.49Å; A130-G133 WeakPolarHBondContact O-CA 3.29Å; A130-G133 PolarHBondContact O-N 2.75Å; A130-R134 VanDerWaalsContact CA-O 3.25Å; A130-R134 WeakPolarHBondContact CA-O 3.49Å; A130-R134 WeakPolarHBondContact CB-O 3.29Å; A130-T135 HydrophobicContact CB-CG2 3.87Å | ||
| 131 | P | 69.3 | Low | 83.1 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -32.8 | -175.8 | 27.6 | -31.4 | 0 | 0 | 0 | 112.4 | L75 L101 T103 S129 G133 | L75-P131 HydrophobicContact CD2-CB 3.76Å; L75-P131 HydrophobicContact CD2-CG 3.66Å; L101-P131 HydrophobicContact CB-CB 4.07Å; L101-P131 WeakPolarHBondContact CD1-O 3.3Å; L101-P131 WeakPolarHBondContact O-CG 3.2Å; T103-P131 HydrophobicContact CG2-CG 3.56Å; S129-P131 VanDerWaalsContact C-CD 3.43Å; S129-P131 WeakPolarHBondContact O-CD 3.42Å; P131-G133 VanDerWaalsContact C-N 3.29Å |
| 132 | G | 70.2 | Confident | 83.4 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 18.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L101 A130 R134 Q164 | L101-G132 PolarHBondContact O-N 3.3Å; A130-G132 PolarHBondContact O-N 3.49Å; G132-R134 PolarHBondContact O-N 3.05Å; G132-Q164 PolarHBondContact O-NE2 3.26Å |
| 133 | G | 79.5 | Confident | 83.6 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 61 | 2.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | A130 P131 D163 Q164 | A130-G133 WeakPolarHBondContact O-CA 3.29Å; A130-G133 PolarHBondContact O-N 2.75Å; P131-G133 VanDerWaalsContact C-N 3.29Å; G133-D163 CarbonylContact O-C 3.59Å; G133-D163 VanDerWaalsContact O-CA 3.29Å; G133-D163 WeakPolarHBondContact O-CA 3.3Å; G133-Q164 VanDerWaalsContact CA-CG 3.41Å; G133-Q164 PolarHBondContact O-N 2.8Å |
| 134 | R | 85.1 | Confident | 84 | Confident | 90 Ų | 90 | 38.8 Ų | 38.8 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -99 | 148.1 | 154.7 | -74.9 | -179.7 | 175.3 | 161.3 | 10 | 109.5 | H106 A130 G132 H138 E139 D163 D165 | H106-R134 PolarHBondContact NE2-O 3.26Å; A130-R134 VanDerWaalsContact CA-O 3.25Å; A130-R134 WeakPolarHBondContact CA-O 3.49Å; A130-R134 WeakPolarHBondContact CB-O 3.29Å; G132-R134 PolarHBondContact O-N 3.05Å; R134-H138 HydrophobicContact CB-CB 4.24Å; R134-H138 HydrophobicContact CG-CB 4.46Å; R134-E139 WeakPolarHBondContact CD-OE1 3.45Å; R134-D163 HydrophobicContact CG-CB 3.86Å; R134-D163 IonicContact NE-OD2 3.87Å; R134-D165 IonicContact NH2-OD2 2.67Å; R134-D165 PolarHBondContact NH2-OD2 2.91Å |
| 135 | T | 89.6 | Confident | 84.7 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -93.7 | 164 | 172.4 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | H106 A130 L137 H138 E139 | H106-T135 WeakPolarHBondContact NE2-CA 3.43Å; A130-T135 HydrophobicContact CB-CG2 3.87Å; T135-L137 PolarHBondContact O-N 3.18Å; T135-L137 VanDerWaalsContact O-N 3.14Å; T135-L137 PolarHBondContact OG1-N 3Å; T135-H138 PolarHBondContact N-ND1 2.92Å; T135-H138 WeakPolarHBondContact O-CB 3.44Å; T135-H138 PolarHBondContact O-N 3.3Å; T135-H138 PolarHBondContact OG1-N 3.22Å; T135-H138 PolarHBondContact OG1-ND1 2.97Å; T135-E139 PolarHBondContact O-N 3.42Å | ||
| 136 | A | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -27.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L105 H106 A109 E139 A140 L152 | L105-A136 HydrophobicContact CB-CB 4.3Å; L105-A136 HydrophobicContact CD2-CB 3.73Å; L105-A136 HydrophobicContact CG-CB 3.72Å; H106-A136 PolarHBondContact CD2-N 3Å; H106-A136 PolarHBondContact NE2-N 2.75Å; H106-A136 VanDerWaalsContact NE2-N 3.19Å; A109-A136 HydrophobicContact CB-CB 4.09Å; A109-A136 WeakPolarHBondContact CB-O 3.43Å; A136-E139 PolarHBondContact O-N 3.1Å; A136-A140 PolarHBondContact O-N 3.39Å; A136-L152 HydrophobicContact CB-CD1 4.08Å; A136-L152 HydrophobicContact CB-CD2 4.17Å; A136-L152 WeakPolarHBondContact O-CD1 3.41Å |
| 137 | L | 92.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -39.9 | 176.1 | -171.5 | 94.2 | 0 | 0 | 0 | 111.4 | T135 E139 A140 C141 V149 L152 L153 A157 P169 L185 | T135-L137 PolarHBondContact O-N 3.18Å; T135-L137 VanDerWaalsContact O-N 3.14Å; T135-L137 PolarHBondContact OG1-N 3Å; L137-E139 PolarHBondContact O-N 2.95Å; L137-A140 PolarHBondContact O-N 3.12Å; L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 2.91Å; L137-C141 PolarHBondContact O-SG 3.35Å; L137-V149 HydrophobicContact CD1-CG1 4.32Å; L137-L152 HydrophobicContact CB-CD1 4.24Å; L137-L152 HydrophobicContact CD1-CB 3.86Å; L137-L152 HydrophobicContact CD1-CD1 4.39Å; L137-L153 HydrophobicContact CD1-CD2 3.81Å; L137-L153 HydrophobicContact CD1-CG 3.89Å; L137-A157 HydrophobicContact CD1-CB 4.23Å; L137-P169 HydrophobicContact CD2-CB 3.64Å; L137-P169 HydrophobicContact CD2-CG 3.37Å; L137-P169 HydrophobicContact CG-CB 4.34Å; L137-P169 HydrophobicContact CG-CG 4.41Å; L137-L185 HydrophobicContact CD1-CD2 4.49Å; L137-L185 HydrophobicContact CD2-CD2 4.06Å |
| 138 | H | 91.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 174.3 | -70.8 | 102.3 | 0 | 0 | 0 | 111.4 | R134 T135 C141 A142 T161 K167 P169 L172 | R134-H138 HydrophobicContact CB-CB 4.24Å; R134-H138 HydrophobicContact CG-CB 4.46Å; T135-H138 PolarHBondContact N-ND1 2.92Å; T135-H138 WeakPolarHBondContact O-CB 3.44Å; T135-H138 PolarHBondContact O-N 3.3Å; T135-H138 PolarHBondContact OG1-N 3.22Å; T135-H138 PolarHBondContact OG1-ND1 2.97Å; H138-C141 PolarHBondContact O-N 3.39Å; H138-A142 WeakPolarHBondContact O-CB 3.38Å; H138-A142 PolarHBondContact O-N 2.95Å; H138-T161 PolarHBondContact CE1-O 3.48Å; H138-T161 PolarHBondContact NE2-O 3.36Å; H138-T161 VanDerWaalsContact NE2-O 3.07Å; H138-K167 PolarHBondContact NE2-O 3.35Å; H138-P169 WeakPolarHBondContact NE2-CD 3.41Å; H138-L172 HydrophobicContact CB-CD1 3.76Å; H138-L172 VanDerWaalsContact CD2-CD1 3.43Å; H138-L172 WeakPolarHBondContact CD2-CD1 3.49Å |
| 139 | E | 89 | Confident | 87.1 | Confident | 24 Ų | 24 | 23.3 Ų | 23.3 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 177.9 | -65.2 | -55.3 | 142.8 | 0 | 0 | 112.6 | H106 A109 R134 T135 A136 L137 C141 A142 A143 | H106-E139 HydrophobicContact CB-CG 4.38Å; A109-E139 HydrophobicContact CB-CB 4.39Å; R134-E139 WeakPolarHBondContact CD-OE1 3.45Å; T135-E139 PolarHBondContact O-N 3.42Å; A136-E139 PolarHBondContact O-N 3.1Å; L137-E139 PolarHBondContact O-N 2.95Å; E139-C141 VanDerWaalsContact C-N 3.29Å; E139-C141 PolarHBondContact O-N 2.86Å; E139-A142 PolarHBondContact O-N 3.34Å; E139-A143 WeakPolarHBondContact O-CB 3.39Å; E139-A143 PolarHBondContact O-N 2.96Å |
| 140 | A | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A109 A136 L137 G144 H145 C148 V149 L152 | A109-A140 HydrophobicContact CB-CB 4.11Å; A136-A140 PolarHBondContact O-N 3.39Å; L137-A140 PolarHBondContact O-N 3.12Å; A140-G144 PolarHBondContact O-N 2.91Å; A140-G144 VanDerWaalsContact O-N 3.07Å; A140-H145 PolarHBondContact O-N 3.39Å; A140-C148 HydrophobicContact CB-CB 3.95Å; A140-V149 HydrophobicContact CB-CG2 3.74Å; A140-L152 HydrophobicContact CB-CD1 4.17Å |
| 141 | C | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.8 | -44 | 177.3 | -68 | 0 | 0 | 0 | 0 | 111.9 | L137 H138 E139 A143 G144 C173 R174 | L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 2.91Å; L137-C141 PolarHBondContact O-SG 3.35Å; H138-C141 PolarHBondContact O-N 3.39Å; E139-C141 VanDerWaalsContact C-N 3.29Å; E139-C141 PolarHBondContact O-N 2.86Å; C141-A143 VanDerWaalsContact C-N 3.27Å; C141-A143 PolarHBondContact O-N 3.05Å; C141-G144 PolarHBondContact O-N 3.26Å; C141-C173 WeakPolarHBondContact O-CA 3.25Å; C141-R174 PolarHBondContact O-N 3.05Å; C141-R174 VanDerWaalsContact O-N 3.17Å |
| 142 | A | 90.2 | Very high | 89.7 | Confident | 42 Ų | 42 | 23.2 Ų | 23.2 | 35% | 0.347 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.7 | -35.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H138 E139 L172 | H138-A142 WeakPolarHBondContact O-CB 3.38Å; H138-A142 PolarHBondContact O-N 2.95Å; E139-A142 PolarHBondContact O-N 3.34Å; A142-L172 WeakPolarHBondContact CA-O 3.21Å |
| 143 | A | 87.3 | Confident | 90.8 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 22% | 0.223 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -84.3 | -15.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S110 E139 C141 H145 | S110-A143 WeakPolarHBondContact O-CB 3.45Å; E139-A143 WeakPolarHBondContact O-CB 3.39Å; E139-A143 PolarHBondContact O-N 2.96Å; C141-A143 VanDerWaalsContact C-N 3.27Å; C141-A143 PolarHBondContact O-N 3.05Å; A143-H145 WeakPolarHBondContact CB-CD2 3.29Å |
| 144 | G | 89.3 | Confident | 91.5 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 18.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A140 C141 A146 R174 P176 | A140-G144 PolarHBondContact O-N 2.91Å; A140-G144 VanDerWaalsContact O-N 3.07Å; C141-G144 PolarHBondContact O-N 3.26Å; G144-A146 PolarHBondContact O-N 3.31Å; G144-R174 WeakPolarHBondContact CA-O 3.5Å; G144-R174 PolarHBondContact N-O 3.48Å; G144-P176 CarbonylContact C-O 3.47Å; G144-P176 WeakPolarHBondContact CA-O 3.36Å |
| 145 | H | 92.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 23.4 Ų | 23.4 | 29% | 0.287 | 15% | 0.15 | S | C | . | . | trans | -84.9 | 80.2 | -175.3 | -65.1 | -43 | 0 | 0 | 0 | 112.7 | A109 S110 G112 A140 A143 A147 C148 V149 | A109-H145 PolarHBondContact O-CD2 3Å; S110-H145 PolarHBondContact O-CD2 3.02Å; S110-H145 PolarHBondContact O-NE2 2.94Å; G112-H145 WeakPolarHBondContact CA-CD2 3.25Å; G112-H145 PolarHBondContact N-CD2 3.33Å; G112-H145 PolarHBondContact N-NE2 3.2Å; A140-H145 PolarHBondContact O-N 3.39Å; A143-H145 WeakPolarHBondContact CB-CD2 3.29Å; H145-A147 VanDerWaalsContact C-N 3.27Å; H145-A147 PolarHBondContact O-N 3.34Å; H145-A147 VanDerWaalsContact O-N 3.16Å; H145-C148 HydrophobicContact CB-CB 4.03Å; H145-C148 WeakPolarHBondContact O-CB 3.11Å; H145-C148 PolarHBondContact O-N 3.02Å; H145-V149 PolarHBondContact O-N 3.3Å | ||
| 146 | A | 93 | Very high | 91.7 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.4 | -38.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G144 C148 V149 H150 E180 C181 L184 | G144-A146 PolarHBondContact O-N 3.31Å; A146-C148 PolarHBondContact O-N 2.97Å; A146-V149 PolarHBondContact O-N 3.32Å; A146-H150 PolarHBondContact O-N 2.96Å; A146-E180 HydrophobicContact CB-CB 3.66Å; A146-C181 WeakPolarHBondContact CA-SG 3.49Å; A146-C181 PolarHBondContact N-SG 3.14Å; A146-C181 VanDerWaalsContact N-SG 3.4Å; A146-L184 HydrophobicContact CB-CD1 4.3Å; A146-L184 WeakPolarHBondContact O-CD1 3.36Å |
| 147 | A | 93.5 | Very high | 91.9 | Very high | 59 Ų | 59 | 25.9 Ų | 25.9 | 49% | 0.488 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.8 | -36.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T114 H145 V151 | T114-A147 HydrophobicContact CG2-CB 3.49Å; T114-A147 VanDerWaalsContact CG2-CB 3.49Å; H145-A147 VanDerWaalsContact C-N 3.27Å; H145-A147 PolarHBondContact O-N 3.34Å; H145-A147 VanDerWaalsContact O-N 3.16Å; A147-V151 WeakPolarHBondContact O-CG2 3.15Å; A147-V151 PolarHBondContact O-N 3.29Å |
| 148 | C | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -42.5 | 173.1 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | G112 L117 A140 H145 A146 H150 V151 L152 | G112-C148 VanDerWaalsContact CA-SG 3.58Å; L117-C148 HydrophobicContact CD2-CB 4.46Å; A140-C148 HydrophobicContact CB-CB 3.95Å; H145-C148 HydrophobicContact CB-CB 4.03Å; H145-C148 WeakPolarHBondContact O-CB 3.11Å; H145-C148 PolarHBondContact O-N 3.02Å; A146-C148 PolarHBondContact O-N 2.97Å; C148-H150 VanDerWaalsContact C-N 3.33Å; C148-H150 PolarHBondContact O-N 3.46Å; C148-V151 PolarHBondContact O-N 2.88Å; C148-L152 WeakPolarHBondContact O-CG 3.27Å; C148-L152 PolarHBondContact O-N 3.43Å |
| 149 | V | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.4 | -48.1 | 175 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | L137 A140 H145 A146 V151 L152 L153 C181 L184 L185 | L137-V149 HydrophobicContact CD1-CG1 4.32Å; A140-V149 HydrophobicContact CB-CG2 3.74Å; H145-V149 PolarHBondContact O-N 3.3Å; A146-V149 PolarHBondContact O-N 3.32Å; V149-V151 PolarHBondContact O-N 3.03Å; V149-L152 PolarHBondContact O-N 3.39Å; V149-L153 HydrophobicContact CG1-CD1 3.64Å; V149-L153 HydrophobicContact CG1-CG 4.26Å; V149-L153 WeakPolarHBondContact O-CB 3.29Å; V149-L153 VanDerWaalsContact O-CG 3.26Å; V149-L153 WeakPolarHBondContact O-CG 3.47Å; V149-L153 PolarHBondContact O-N 3.24Å; V149-C181 HydrophobicContact CG2-CB 4.48Å; V149-L184 HydrophobicContact CG1-CB 4.31Å; V149-L185 HydrophobicContact CG1-CD2 4.25Å; V149-L185 HydrophobicContact CG1-CG 4.29Å |
| 150 | H | 94.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 30.1 Ų | 30.1 | 40% | 0.398 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 177.6 | -177.5 | -96.6 | 0 | 0 | 0 | 112.5 | A146 C148 L152 L153 V154 L184 | A146-H150 PolarHBondContact O-N 2.96Å; C148-H150 VanDerWaalsContact C-N 3.33Å; C148-H150 PolarHBondContact O-N 3.46Å; H150-L152 PolarHBondContact O-N 3.16Å; H150-L153 PolarHBondContact O-N 2.97Å; H150-V154 WeakPolarHBondContact O-CB 3.26Å; H150-V154 VanDerWaalsContact O-CG2 3.28Å; H150-V154 WeakPolarHBondContact O-CG2 3.45Å; H150-V154 PolarHBondContact O-N 3.04Å; H150-L184 HydrophobicContact CB-CD1 3.86Å |
| 151 | V | 94.2 | Very high | 92 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | -179.4 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L117 Q118 L121 A147 C148 V149 A155 | L117-V151 HydrophobicContact CD2-CB 3.72Å; L117-V151 HydrophobicContact CD2-CG1 3.53Å; Q118-V151 HydrophobicContact CG-CG1 3.71Å; Q118-V151 HydrophobicContact CG-CG2 4.04Å; L121-V151 HydrophobicContact CD1-CG1 3.55Å; A147-V151 WeakPolarHBondContact O-CG2 3.15Å; A147-V151 PolarHBondContact O-N 3.29Å; C148-V151 PolarHBondContact O-N 2.88Å; V149-V151 PolarHBondContact O-N 3.03Å; V151-A155 WeakPolarHBondContact O-CB 3.19Å; V151-A155 PolarHBondContact O-N 3.05Å |
| 152 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 177.5 | -71.8 | 170.5 | 0 | 0 | 0 | 112 | L105 A109 L117 L121 A136 L137 A140 C148 V149 H150 A155 G156 A157 | L105-L152 HydrophobicContact CD1-CD2 4.43Å; L105-L152 HydrophobicContact CD2-CD2 4.14Å; L105-L152 HydrophobicContact CG-CD2 4.36Å; A109-L152 HydrophobicContact CB-CD1 4.37Å; L117-L152 HydrophobicContact CD1-CD2 4.16Å; L117-L152 HydrophobicContact CD1-CG 4.42Å; L117-L152 HydrophobicContact CD2-CD2 3.99Å; L117-L152 HydrophobicContact CD2-CG 3.79Å; L117-L152 HydrophobicContact CG-CD2 4.35Å; L121-L152 HydrophobicContact CD1-CD2 4.36Å; A136-L152 HydrophobicContact CB-CD1 4.08Å; A136-L152 HydrophobicContact CB-CD2 4.17Å; A136-L152 WeakPolarHBondContact O-CD1 3.41Å; L137-L152 HydrophobicContact CB-CD1 4.24Å; L137-L152 HydrophobicContact CD1-CB 3.86Å; L137-L152 HydrophobicContact CD1-CD1 4.39Å; A140-L152 HydrophobicContact CB-CD1 4.17Å; C148-L152 WeakPolarHBondContact O-CG 3.27Å; C148-L152 PolarHBondContact O-N 3.43Å; V149-L152 PolarHBondContact O-N 3.39Å; H150-L152 PolarHBondContact O-N 3.16Å; L152-A155 PolarHBondContact O-N 2.9Å; L152-G156 PolarHBondContact O-N 2.95Å; L152-A157 HydrophobicContact CB-CB 4.18Å; L152-A157 WeakPolarHBondContact O-CB 3.42Å; L152-A157 PolarHBondContact O-N 3.47Å |
| 153 | L | 94.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.9 | -68.6 | 170.6 | 0 | 0 | 0 | 111.9 | L137 V149 H150 A155 G156 P159 L184 L185 F188 | L137-L153 HydrophobicContact CD1-CD2 3.81Å; L137-L153 HydrophobicContact CD1-CG 3.89Å; V149-L153 HydrophobicContact CG1-CD1 3.64Å; V149-L153 HydrophobicContact CG1-CG 4.26Å; V149-L153 WeakPolarHBondContact O-CB 3.29Å; V149-L153 VanDerWaalsContact O-CG 3.26Å; V149-L153 WeakPolarHBondContact O-CG 3.47Å; V149-L153 PolarHBondContact O-N 3.24Å; H150-L153 PolarHBondContact O-N 2.97Å; L153-A155 PolarHBondContact O-N 3.4Å; L153-G156 PolarHBondContact O-N 3.37Å; L153-P159 HydrophobicContact CD2-CB 3.95Å; L153-P159 HydrophobicContact CD2-CG 4.45Å; L153-L184 HydrophobicContact CD1-CB 4.2Å; L153-L185 HydrophobicContact CD1-CD2 4.23Å; L153-L185 HydrophobicContact CD2-CD2 4.24Å; L153-F188 HydrophobicContact CB-CB 4.43Å; L153-F188 HydrophobicContact CB-CD1 3.81Å; L153-F188 HydrophobicContact CB-CD2 4.01Å; L153-F188 HydrophobicContact CB-CE1 3.96Å; L153-F188 HydrophobicContact CB-CE2 4.16Å; L153-F188 HydrophobicContact CB-CG 3.83Å; L153-F188 HydrophobicContact CB-CZ 4.13Å; L153-F188 HydrophobicContact CD1-CB 4.05Å; L153-F188 HydrophobicContact CD1-CD2 3.71Å; L153-F188 HydrophobicContact CD1-CE2 4.32Å; L153-F188 HydrophobicContact CD1-CG 3.93Å; L153-F188 HydrophobicContact CD2-CB 4.12Å; L153-F188 HydrophobicContact CD2-CG 4.43Å; L153-F188 HydrophobicContact CG-CB 4.43Å; L153-F188 HydrophobicContact CG-CD2 4.42Å; L153-F188 HydrophobicContact CG-CG 4.28Å |
| 154 | V | 93.6 | Very high | 91.7 | Very high | 92 Ų | 92 | 38.3 Ų | 38.3 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.4 | -32 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | H150 G156 F188 | H150-V154 WeakPolarHBondContact O-CB 3.26Å; H150-V154 VanDerWaalsContact O-CG2 3.28Å; H150-V154 WeakPolarHBondContact O-CG2 3.45Å; H150-V154 PolarHBondContact O-N 3.04Å; V154-G156 PolarHBondContact O-N 3.36Å; V154-F188 HydrophobicContact CG2-CE1 4.35Å; V154-F188 HydrophobicContact CG2-CZ 3.86Å |
| 155 | A | 89.6 | Confident | 91.4 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -0.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | L121 V151 L152 L153 | L121-A155 HydrophobicContact CD1-CB 3.8Å; L121-A155 HydrophobicContact CD2-CB 3.89Å; L121-A155 HydrophobicContact CG-CB 4.31Å; V151-A155 WeakPolarHBondContact O-CB 3.19Å; V151-A155 PolarHBondContact O-N 3.05Å; L152-A155 PolarHBondContact O-N 2.9Å; L153-A155 PolarHBondContact O-N 3.4Å |
| 156 | G | 89 | Confident | 91.1 | Very high | 51 Ų | 51 | 38 Ų | 38 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 20.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L152 L153 V154 | L152-G156 PolarHBondContact O-N 2.95Å; L153-G156 PolarHBondContact O-N 3.37Å; V154-G156 PolarHBondContact O-N 3.36Å |
| 157 | A | 92.1 | Very high | 91 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | trans | -61.3 | 134.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P127 D128 L137 L152 P159 | P127-A157 HydrophobicContact CB-CB 3.96Å; D128-A157 VanDerWaalsContact OD1-CA 3.3Å; D128-A157 WeakPolarHBondContact OD1-CA 3.41Å; L137-A157 HydrophobicContact CD1-CB 4.23Å; L152-A157 HydrophobicContact CB-CB 4.18Å; L152-A157 WeakPolarHBondContact O-CB 3.42Å; L152-A157 PolarHBondContact O-N 3.47Å; A157-P159 WeakPolarHBondContact O-CD 3.35Å | ||
| 158 | D | 92.4 | Very high | 90.9 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | trans | -79.7 | 117.1 | 177 | 178.8 | 0.9 | 0 | 0 | 0 | 110.9 | D128 N160 T161 | D128-D158 PolarHBondContact OD1-N 2.97Å; D158-N160 PolarHBondContact O-N 3.46Å; D158-N160 PolarHBondContact OD1-N 3.39Å; D158-T161 HydrophobicContact CB-CG2 3.76Å; D158-T161 PolarHBondContact O-N 2.96Å; D158-T161 PolarHBondContact O-OG1 3.31Å | ||
| 159 | P | 92.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -5 | -178.3 | 31.3 | -37.2 | 0 | 0 | 0 | 114.4 | L153 A157 P169 L185 A190 | L153-P159 HydrophobicContact CD2-CB 3.95Å; L153-P159 HydrophobicContact CD2-CG 4.45Å; A157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-P169 VanDerWaalsContact O-CD 3.29Å; P159-P169 WeakPolarHBondContact O-CD 3.36Å; P159-P169 WeakPolarHBondContact O-CG 3.41Å; P159-L185 HydrophobicContact CB-CD2 3.99Å; P159-A190 HydrophobicContact CB-CB 4.01Å; P159-A190 HydrophobicContact CG-CB 4.48Å |
| 160 | N | 91.8 | Very high | 90.9 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 3.3 | -178.2 | -65 | -65.8 | 0 | 0 | 0 | 114 | D158 P162 G189 Q191 | D158-N160 PolarHBondContact O-N 3.46Å; D158-N160 PolarHBondContact OD1-N 3.39Å; N160-P162 WeakPolarHBondContact O-CD 3.38Å; N160-G189 PolarHBondContact ND2-O 3.46Å; N160-Q191 WeakPolarHBondContact OD1-CB 3.49Å; N160-Q191 WeakPolarHBondContact OD1-CG 3.45Å; N160-Q191 PolarHBondContact OD1-N 3.11Å |
| 161 | T | 90.1 | Very high | 90.7 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 17% | 0.172 | 21% | 0.214 | C | C | . | . | trans | -60.8 | 124.1 | 178.1 | 43.6 | 0 | 0 | 0 | 0 | 110.6 | H138 D158 P169 | H138-T161 PolarHBondContact CE1-O 3.48Å; H138-T161 PolarHBondContact NE2-O 3.36Å; H138-T161 VanDerWaalsContact NE2-O 3.07Å; D158-T161 HydrophobicContact CB-CG2 3.76Å; D158-T161 PolarHBondContact O-N 2.96Å; D158-T161 PolarHBondContact O-OG1 3.31Å; T161-P169 WeakPolarHBondContact O-CD 3.32Å | ||
| 162 | P | 90.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | trans | -76 | 147.5 | 173.2 | 30.2 | -32.5 | 0 | 0 | 0 | 110.8 | N160 | N160-P162 WeakPolarHBondContact O-CD 3.38Š| ||
| 163 | D | 87.7 | Confident | 90.3 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | trans | -82.7 | -174.3 | 167.3 | 75 | -0.2 | 0 | 0 | 0 | 112.2 | G133 R134 D165 G166 K167 | G133-D163 CarbonylContact O-C 3.59Å; G133-D163 VanDerWaalsContact O-CA 3.29Å; G133-D163 WeakPolarHBondContact O-CA 3.3Å; R134-D163 HydrophobicContact CG-CB 3.86Å; R134-D163 IonicContact NE-OD2 3.87Å; D163-D165 PolarHBondContact O-N 3.32Å; D163-D165 WeakPolarHBondContact OD1-CA 3.45Å; D163-D165 WeakPolarHBondContact OD1-CB 3.42Å; D163-D165 PolarHBondContact OD1-N 3.02Å; D163-G166 PolarHBondContact O-N 3.11Å; D163-G166 PolarHBondContact OD1-N 3.3Å; D163-K167 PolarHBondContact N-O 3.35Å; D163-K167 WeakPolarHBondContact OD1-CA 3.44Å; D163-K167 WeakPolarHBondContact OD1-CB 3.41Å; D163-K167 PolarHBondContact OD1-N 2.9Å | ||
| 164 | Q | 85 | Confident | 89.8 | Confident | 142 Ų | 142 | 42.5 Ų | 42.5 | 66% | 0.664 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.4 | 177.9 | -60.2 | -171.1 | -18.8 | 0 | 0 | 113.9 | G132 G133 | G132-Q164 PolarHBondContact O-NE2 3.26Å; G133-Q164 VanDerWaalsContact CA-CG 3.41Å; G133-Q164 PolarHBondContact O-N 2.8Å |
| 165 | D | 82.6 | Confident | 89.3 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 11.5 | 176.6 | -54.7 | -35.4 | 0 | 0 | 0 | 110.8 | R134 D163 K167 D198 | R134-D165 IonicContact NH2-OD2 2.67Å; R134-D165 PolarHBondContact NH2-OD2 2.91Å; D163-D165 PolarHBondContact O-N 3.32Å; D163-D165 WeakPolarHBondContact OD1-CA 3.45Å; D163-D165 WeakPolarHBondContact OD1-CB 3.42Å; D163-D165 PolarHBondContact OD1-N 3.02Å; D165-K167 HydrophobicContact CB-CD 4.13Å; D165-K167 HydrophobicContact CB-CG 4.23Å; D165-K167 PolarHBondContact O-N 3.26Å; D165-K167 VanDerWaalsContact O-N 3.1Å; D165-K167 IonicContact OD2-NZ 3.18Å; D165-D198 VanDerWaalsContact O-OD2 3.07Å |
| 166 | G | 86.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 65.3 | 13.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D163 S196 E197 | D163-G166 PolarHBondContact O-N 3.11Å; D163-G166 PolarHBondContact OD1-N 3.3Å; G166-S196 CarbonylContact O-C 3.56Å; G166-S196 WeakPolarHBondContact O-CA 3.31Å; G166-E197 PolarHBondContact O-N 3.31Å |
| 167 | K | 90.4 | Very high | 88.5 | Confident | 67 Ų | 67 | 42.3 Ų | 42.3 | 29% | 0.291 | 24% | 0.235 | S | C | . | . | trans | -89.1 | 136.6 | -179.1 | -67.4 | 171.3 | -170.7 | 153.5 | 0 | 110 | H138 D163 D165 H171 L172 | H138-K167 PolarHBondContact NE2-O 3.35Å; D163-K167 PolarHBondContact N-O 3.35Å; D163-K167 WeakPolarHBondContact OD1-CA 3.44Å; D163-K167 WeakPolarHBondContact OD1-CB 3.41Å; D163-K167 PolarHBondContact OD1-N 2.9Å; D165-K167 HydrophobicContact CB-CD 4.13Å; D165-K167 HydrophobicContact CB-CG 4.23Å; D165-K167 PolarHBondContact O-N 3.26Å; D165-K167 VanDerWaalsContact O-N 3.1Å; D165-K167 IonicContact OD2-NZ 3.18Å; K167-H171 HydrophobicContact CB-CB 4.24Å; K167-L172 HydrophobicContact CB-CD2 4.02Å; K167-L172 HydrophobicContact CB-CG 4.44Å; K167-L172 HydrophobicContact CD-CD2 3.77Å | ||
| 168 | R | 92.6 | Very high | 88.5 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | trans | -84.1 | 161.1 | 173.3 | -53.4 | 175 | -177.4 | -135.3 | 1.2 | 110.9 | L170 H171 R195 | R168-L170 PolarHBondContact O-N 3.31Å; R168-H171 WeakPolarHBondContact CB-ND1 3.44Å; R168-H171 PolarHBondContact N-ND1 3.25Å; R168-H171 VanDerWaalsContact N-ND1 3.15Å; R168-H171 WeakPolarHBondContact O-CB 3.41Å; R168-H171 PolarHBondContact O-N 2.89Å; R168-H171 PolarHBondContact O-ND1 3.39Å; R168-R195 PolarHBondContact NE-O 3.05Å | ||
| 169 | P | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -52.3 | -38 | -179.6 | -26.5 | 34 | 0 | 0 | 0 | 113.3 | L137 H138 P159 T161 H171 L172 C173 L185 | L137-P169 HydrophobicContact CD2-CB 3.64Å; L137-P169 HydrophobicContact CD2-CG 3.37Å; L137-P169 HydrophobicContact CG-CB 4.34Å; L137-P169 HydrophobicContact CG-CG 4.41Å; H138-P169 WeakPolarHBondContact NE2-CD 3.41Å; P159-P169 VanDerWaalsContact O-CD 3.29Å; P159-P169 WeakPolarHBondContact O-CD 3.36Å; P159-P169 WeakPolarHBondContact O-CG 3.41Å; T161-P169 WeakPolarHBondContact O-CD 3.32Å; P169-H171 VanDerWaalsContact C-N 3.28Å; P169-H171 PolarHBondContact O-N 3.12Å; P169-L172 PolarHBondContact O-N 2.99Å; P169-C173 PolarHBondContact O-N 3.07Å; P169-C173 PolarHBondContact O-SG 3.4Å; P169-C173 VanDerWaalsContact O-SG 3.35Å; P169-L185 HydrophobicContact CB-CD1 4.28Å; P169-L185 HydrophobicContact CB-CD2 4.19Å |
| 170 | L | 92.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -30.5 | 178.9 | -138.8 | 156.1 | 0 | 0 | 0 | 113.2 | R168 L172 V182 L185 L186 A190 P203 L219 | R168-L170 PolarHBondContact O-N 3.31Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-V182 HydrophobicContact CD2-CG1 4.01Å; L170-V182 HydrophobicContact CD2-CG2 4.35Å; L170-V182 HydrophobicContact CG-CG1 4.49Å; L170-L185 HydrophobicContact CB-CD1 4.35Å; L170-L185 HydrophobicContact CD1-CB 4.47Å; L170-L185 HydrophobicContact CG-CD1 4.23Å; L170-L186 HydrophobicContact CD1-CD2 3.7Å; L170-L186 HydrophobicContact CD1-CG 4.2Å; L170-A190 HydrophobicContact CD1-CB 3.74Å; L170-P203 HydrophobicContact CB-CG 4.11Å; L170-P203 HydrophobicContact CD2-CB 3.36Å; L170-P203 HydrophobicContact CD2-CG 3.68Å; L170-P203 HydrophobicContact CG-CB 4.47Å; L170-P203 HydrophobicContact CG-CG 4.34Å; L170-L219 HydrophobicContact CD2-CD2 3.73Å |
| 171 | H | 91.8 | Very high | 88.7 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.7 | -23.4 | 175.6 | -58.4 | 93.9 | 0 | 0 | 0 | 112.9 | K167 R168 P169 G194 E201 P203 V206 | K167-H171 HydrophobicContact CB-CB 4.24Å; R168-H171 WeakPolarHBondContact CB-ND1 3.44Å; R168-H171 PolarHBondContact N-ND1 3.25Å; R168-H171 VanDerWaalsContact N-ND1 3.15Å; R168-H171 WeakPolarHBondContact O-CB 3.41Å; R168-H171 PolarHBondContact O-N 2.89Å; R168-H171 PolarHBondContact O-ND1 3.39Å; P169-H171 VanDerWaalsContact C-N 3.28Å; P169-H171 PolarHBondContact O-N 3.12Å; H171-G194 PolarHBondContact CE1-O 3.21Å; H171-G194 PolarHBondContact NE2-O 2.9Å; H171-G194 VanDerWaalsContact NE2-O 3.09Å; H171-E201 PolarHBondContact NE2-O 2.99Å; H171-E201 VanDerWaalsContact NE2-O 3.1Å; H171-P203 WeakPolarHBondContact NE2-CD 3.32Å; H171-V206 HydrophobicContact CB-CG2 4.3Å |
| 172 | L | 89.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -92.2 | -12 | -175.8 | -59.3 | -170.8 | 0 | 0 | 0 | 112.9 | H138 A142 K167 P169 L170 R174 | H138-L172 HydrophobicContact CB-CD1 3.76Å; H138-L172 VanDerWaalsContact CD2-CD1 3.43Å; H138-L172 WeakPolarHBondContact CD2-CD1 3.49Å; A142-L172 WeakPolarHBondContact CA-O 3.21Å; K167-L172 HydrophobicContact CB-CD2 4.02Å; K167-L172 HydrophobicContact CB-CG 4.44Å; K167-L172 HydrophobicContact CD-CD2 3.77Å; P169-L172 PolarHBondContact O-N 2.99Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L172-R174 WeakPolarHBondContact O-CG 3.45Å; L172-R174 PolarHBondContact O-N 3.5Å |
| 173 | C | 89.6 | Confident | 89.1 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | trans | -52.9 | 115.7 | -179.9 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | C141 P169 I178 V182 L185 | C141-C173 WeakPolarHBondContact O-CA 3.25Å; P169-C173 PolarHBondContact O-N 3.07Å; P169-C173 PolarHBondContact O-SG 3.4Å; P169-C173 VanDerWaalsContact O-SG 3.35Å; C173-I178 HydrophobicContact CB-CD1 4.37Å; C173-I178 HydrophobicContact CB-CG1 3.8Å; C173-I178 WeakPolarHBondContact O-CD1 3.42Å; C173-V182 HydrophobicContact CB-CG2 3.72Å; C173-L185 VanDerWaalsContact SG-CD1 3.55Å | ||
| 174 | R | 84 | Confident | 89.5 | Confident | 127 Ų | 127 | 46 Ų | 46 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | trans | -146.2 | 169.7 | -179.7 | -69.6 | -178.7 | -173.5 | -163.2 | 1.8 | 110.3 | C141 G144 L172 L210 | C141-R174 PolarHBondContact O-N 3.05Å; C141-R174 VanDerWaalsContact O-N 3.17Å; G144-R174 WeakPolarHBondContact CA-O 3.5Å; G144-R174 PolarHBondContact N-O 3.48Å; L172-R174 WeakPolarHBondContact O-CG 3.45Å; L172-R174 PolarHBondContact O-N 3.5Å; R174-L210 HydrophobicContact CG-CD1 4.48Å | ||
| 175 | G | 81.6 | Confident | 89.9 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 45% | 0.454 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 82 | -170.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 176 | P | 77.4 | Confident | 90.5 | Very high | 111 Ų | 111 | 37.1 Ų | 37.1 | 72% | 0.721 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 138.2 | 175.5 | 29.8 | -33.4 | 0 | 0 | 0 | 109.8 | G144 | G144-P176 CarbonylContact C-O 3.47Å; G144-P176 WeakPolarHBondContact CA-O 3.36Å |
| 177 | G | 85 | Confident | 90.9 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 6.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L179 E180 C181 | G177-L179 VanDerWaalsContact C-N 3.27Å; G177-L179 PolarHBondContact O-N 3.38Å; G177-E180 PolarHBondContact O-N 3.34Å; G177-E180 VanDerWaalsContact O-N 3.15Å; G177-C181 PolarHBondContact O-N 3.25Å; G177-C181 PolarHBondContact O-SG 2.84Å |
| 178 | I | 91.4 | Very high | 91.1 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -50.6 | -42.4 | 178.7 | -167.6 | 176.7 | 0 | 0 | 0 | 113.7 | C173 C181 V182 L215 | C173-I178 HydrophobicContact CB-CD1 4.37Å; C173-I178 HydrophobicContact CB-CG1 3.8Å; C173-I178 WeakPolarHBondContact O-CD1 3.42Å; I178-C181 PolarHBondContact O-N 2.98Å; I178-V182 VanDerWaalsContact O-CG2 3.3Å; I178-V182 WeakPolarHBondContact O-CG2 3.16Å; I178-V182 PolarHBondContact O-N 2.92Å; I178-L215 HydrophobicContact CD1-CD2 3.7Å; I178-L215 HydrophobicContact CG1-CD2 4.39Å |
| 179 | L | 93.3 | Very high | 91 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 27% | 0.272 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.4 | -45.6 | -178.7 | -62.5 | 177.5 | 0 | 0 | 0 | 111.2 | G177 V182 E183 E214 L215 L218 | G177-L179 VanDerWaalsContact C-N 3.27Å; G177-L179 PolarHBondContact O-N 3.38Å; L179-V182 PolarHBondContact O-N 3.35Å; L179-E183 WeakPolarHBondContact O-CG 3.43Å; L179-E183 PolarHBondContact O-N 2.96Å; L179-E214 HydrophobicContact CD1-CB 4.2Å; L179-E214 HydrophobicContact CD2-CB 4.12Å; L179-L215 HydrophobicContact CD2-CB 4.19Å; L179-L218 HydrophobicContact CD2-CD1 4.39Å |
| 180 | E | 94.4 | Very high | 91.1 | Very high | 125 Ų | 125 | 44.1 Ų | 44.1 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.3 | -42.4 | 177.7 | -65.2 | 177.7 | -172.9 | 0 | 0 | 111.3 | A146 G177 V182 E183 L184 | A146-E180 HydrophobicContact CB-CB 3.66Å; G177-E180 PolarHBondContact O-N 3.34Å; G177-E180 VanDerWaalsContact O-N 3.15Å; E180-V182 VanDerWaalsContact C-N 3.35Å; E180-V182 PolarHBondContact O-N 3.48Å; E180-E183 PolarHBondContact O-N 3.39Å; E180-L184 WeakPolarHBondContact O-CB 3.25Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.35Å; E180-L184 PolarHBondContact O-N 3.46Å |
| 181 | C | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | A146 V149 G177 I178 L184 L185 | A146-C181 WeakPolarHBondContact CA-SG 3.49Å; A146-C181 PolarHBondContact N-SG 3.14Å; A146-C181 VanDerWaalsContact N-SG 3.4Å; V149-C181 HydrophobicContact CG2-CB 4.48Å; G177-C181 PolarHBondContact O-N 3.25Å; G177-C181 PolarHBondContact O-SG 2.84Å; I178-C181 PolarHBondContact O-N 2.98Å; C181-L184 PolarHBondContact O-N 3Å; C181-L185 WeakPolarHBondContact O-CG 3.39Å; C181-L185 PolarHBondContact O-N 3.01Å |
| 182 | V | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | -178.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L170 C173 I178 L179 E180 L184 L185 L186 L215 L218 L219 | L170-V182 HydrophobicContact CD2-CG1 4.01Å; L170-V182 HydrophobicContact CD2-CG2 4.35Å; L170-V182 HydrophobicContact CG-CG1 4.49Å; C173-V182 HydrophobicContact CB-CG2 3.72Å; I178-V182 VanDerWaalsContact O-CG2 3.3Å; I178-V182 WeakPolarHBondContact O-CG2 3.16Å; I178-V182 PolarHBondContact O-N 2.92Å; L179-V182 PolarHBondContact O-N 3.35Å; E180-V182 VanDerWaalsContact C-N 3.35Å; E180-V182 PolarHBondContact O-N 3.48Å; V182-L184 VanDerWaalsContact C-N 3.29Å; V182-L184 PolarHBondContact O-N 3.34Å; V182-L185 PolarHBondContact O-N 3.01Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.37Å; V182-L186 PolarHBondContact O-N 3.39Å; V182-L215 HydrophobicContact CB-CD1 4.05Å; V182-L215 HydrophobicContact CG1-CD1 3.97Å; V182-L215 HydrophobicContact CG2-CD1 3.71Å; V182-L218 HydrophobicContact CB-CD2 4.48Å; V182-L218 HydrophobicContact CG1-CD2 3.67Å; V182-L219 HydrophobicContact CG1-CD2 4.08Å |
| 183 | E | 95 | Very high | 91.1 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 35% | 0.346 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 172.8 | -77.9 | -166.1 | -167.9 | 0 | 0 | 112.6 | L179 E180 K187 L218 | L179-E183 WeakPolarHBondContact O-CG 3.43Å; L179-E183 PolarHBondContact O-N 2.96Å; E180-E183 PolarHBondContact O-N 3.39Å; E183-K187 WeakPolarHBondContact O-CB 3.32Å; E183-K187 WeakPolarHBondContact O-CD 3.47Å; E183-K187 WeakPolarHBondContact O-CG 3.31Å; E183-K187 PolarHBondContact O-N 3.02Å; E183-K187 IonicContact OE2-NZ 2.86Å; E183-K187 PolarHBondContact OE2-NZ 3.48Å; E183-L218 HydrophobicContact CG-CD1 3.61Å; E183-L218 HydrophobicContact CG-CD2 4.5Å |
| 184 | L | 94.9 | Very high | 91.1 | Very high | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 177.9 | -73.5 | 172.6 | 0 | 0 | 0 | 110.8 | A146 V149 H150 L153 E180 C181 V182 L186 K187 F188 | A146-L184 HydrophobicContact CB-CD1 4.3Å; A146-L184 WeakPolarHBondContact O-CD1 3.36Å; V149-L184 HydrophobicContact CG1-CB 4.31Å; H150-L184 HydrophobicContact CB-CD1 3.86Å; L153-L184 HydrophobicContact CD1-CB 4.2Å; E180-L184 WeakPolarHBondContact O-CB 3.25Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.35Å; E180-L184 PolarHBondContact O-N 3.46Å; C181-L184 PolarHBondContact O-N 3Å; V182-L184 VanDerWaalsContact C-N 3.29Å; V182-L184 PolarHBondContact O-N 3.34Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 2.79Å; L184-K187 PolarHBondContact O-N 3.31Å; L184-F188 VanDerWaalsContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CD2 3.37Å; L184-F188 PolarHBondContact O-N 2.96Å |
| 185 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.6 | -45.2 | 177.5 | -71.6 | 171 | 0 | 0 | 0 | 111.7 | L137 V149 L153 P159 P169 L170 C173 C181 V182 F188 G189 A190 | L137-L185 HydrophobicContact CD1-CD2 4.49Å; L137-L185 HydrophobicContact CD2-CD2 4.06Å; V149-L185 HydrophobicContact CG1-CD2 4.25Å; V149-L185 HydrophobicContact CG1-CG 4.29Å; L153-L185 HydrophobicContact CD1-CD2 4.23Å; L153-L185 HydrophobicContact CD2-CD2 4.24Å; P159-L185 HydrophobicContact CB-CD2 3.99Å; P169-L185 HydrophobicContact CB-CD1 4.28Å; P169-L185 HydrophobicContact CB-CD2 4.19Å; L170-L185 HydrophobicContact CB-CD1 4.35Å; L170-L185 HydrophobicContact CD1-CB 4.47Å; L170-L185 HydrophobicContact CG-CD1 4.23Å; C173-L185 VanDerWaalsContact SG-CD1 3.55Å; C181-L185 WeakPolarHBondContact O-CG 3.39Å; C181-L185 PolarHBondContact O-N 3.01Å; V182-L185 PolarHBondContact O-N 3.01Å; L185-F188 CarbonylContact O-C 3.55Å; L185-F188 PolarHBondContact O-N 3.08Å; L185-G189 PolarHBondContact O-N 2.96Å; L185-A190 HydrophobicContact CB-CB 3.9Å; L185-A190 WeakPolarHBondContact O-CB 3.19Å; L185-A190 PolarHBondContact O-N 3.28Å |
| 186 | L | 94.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 178.9 | -68.3 | 175 | 0 | 0 | 0 | 112.5 | L170 V182 L184 F188 G189 V192 L218 L219 W222 | L170-L186 HydrophobicContact CD1-CD2 3.7Å; L170-L186 HydrophobicContact CD1-CG 4.2Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.37Å; V182-L186 PolarHBondContact O-N 3.39Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 2.79Å; L186-F188 PolarHBondContact O-N 3.1Å; L186-G189 PolarHBondContact O-N 3.15Å; L186-G189 VanDerWaalsContact O-N 3.11Å; L186-V192 HydrophobicContact CD2-CB 4.36Å; L186-V192 HydrophobicContact CD2-CG2 3.47Å; L186-V192 VanDerWaalsContact CD2-CG2 3.47Å; L186-L218 HydrophobicContact CD1-CD2 3.69Å; L186-L219 HydrophobicContact CD1-CD2 4.44Å; L186-W222 HydrophobicContact CB-CD2 4.01Å; L186-W222 HydrophobicContact CB-CE3 4Å; L186-W222 HydrophobicContact CB-CH2 4.38Å; L186-W222 HydrophobicContact CB-CZ2 4.38Å; L186-W222 HydrophobicContact CB-CZ3 4.19Å; L186-W222 HydrophobicContact CD1-CB 3.91Å; L186-W222 HydrophobicContact CD1-CD2 3.89Å; L186-W222 HydrophobicContact CD1-CG 3.56Å |
| 187 | K | 95 | Very high | 92.5 | Very high | 122 Ų | 122 | 49.9 Ų | 49.9 | 53% | 0.53 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -32.8 | 174.9 | -74.8 | 165.6 | -169.9 | 159.5 | 0 | 112.5 | E183 L184 G189 W222 | E183-K187 WeakPolarHBondContact O-CB 3.32Å; E183-K187 WeakPolarHBondContact O-CD 3.47Å; E183-K187 WeakPolarHBondContact O-CG 3.31Å; E183-K187 PolarHBondContact O-N 3.02Å; E183-K187 IonicContact OE2-NZ 2.86Å; E183-K187 PolarHBondContact OE2-NZ 3.48Å; L184-K187 PolarHBondContact O-N 3.31Å; K187-G189 VanDerWaalsContact C-N 3.32Å; K187-W222 HydrophobicContact CG-CH2 3.9Å; K187-W222 HydrophobicContact CG-CZ2 4.23Å |
| 188 | F | 93.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 53.6 Ų | 53.6 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 11.2 | 177.8 | -79.7 | -94.2 | 0 | 0 | 0 | 113.8 | L153 V154 L184 L185 L186 | L153-F188 HydrophobicContact CB-CB 4.43Å; L153-F188 HydrophobicContact CB-CD1 3.81Å; L153-F188 HydrophobicContact CB-CD2 4.01Å; L153-F188 HydrophobicContact CB-CE1 3.96Å; L153-F188 HydrophobicContact CB-CE2 4.16Å; L153-F188 HydrophobicContact CB-CG 3.83Å; L153-F188 HydrophobicContact CB-CZ 4.13Å; L153-F188 HydrophobicContact CD1-CB 4.05Å; L153-F188 HydrophobicContact CD1-CD2 3.71Å; L153-F188 HydrophobicContact CD1-CE2 4.32Å; L153-F188 HydrophobicContact CD1-CG 3.93Å; L153-F188 HydrophobicContact CD2-CB 4.12Å; L153-F188 HydrophobicContact CD2-CG 4.43Å; L153-F188 HydrophobicContact CG-CB 4.43Å; L153-F188 HydrophobicContact CG-CD2 4.42Å; L153-F188 HydrophobicContact CG-CG 4.28Å; V154-F188 HydrophobicContact CG2-CE1 4.35Å; V154-F188 HydrophobicContact CG2-CZ 3.86Å; L184-F188 VanDerWaalsContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CD2 3.37Å; L184-F188 PolarHBondContact O-N 2.96Å; L185-F188 CarbonylContact O-C 3.55Å; L185-F188 PolarHBondContact O-N 3.08Å; L186-F188 PolarHBondContact O-N 3.1Å |
| 189 | G | 91.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 49% | 0.485 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 24.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N160 L185 L186 K187 | N160-G189 PolarHBondContact ND2-O 3.46Å; L185-G189 PolarHBondContact O-N 2.96Å; L186-G189 PolarHBondContact O-N 3.15Å; L186-G189 VanDerWaalsContact O-N 3.11Å; K187-G189 VanDerWaalsContact C-N 3.32Å |
| 190 | A | 93.5 | Very high | 92 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | trans | -62.1 | 139.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P159 L170 L185 V192 | P159-A190 HydrophobicContact CB-CB 4.01Å; P159-A190 HydrophobicContact CG-CB 4.48Å; L170-A190 HydrophobicContact CD1-CB 3.74Å; L185-A190 HydrophobicContact CB-CB 3.9Å; L185-A190 WeakPolarHBondContact O-CB 3.19Å; L185-A190 PolarHBondContact O-N 3.28Å; A190-V192 PolarHBondContact O-N 2.68Å | ||
| 191 | Q | 92.5 | Very high | 91.9 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | trans | -73 | 112.9 | 177.2 | -68.8 | 176.7 | 12 | 0 | 0 | 110.3 | N160 D193 G194 | N160-Q191 WeakPolarHBondContact OD1-CB 3.49Å; N160-Q191 WeakPolarHBondContact OD1-CG 3.45Å; N160-Q191 PolarHBondContact OD1-N 3.11Å; Q191-D193 VanDerWaalsContact C-N 3.34Å; Q191-D193 PolarHBondContact O-N 2.9Å; Q191-G194 PolarHBondContact O-N 3.18Å; Q191-G194 VanDerWaalsContact O-N 3.07Å | ||
| 192 | V | 92 | Very high | 91.9 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -45.2 | -179.7 | -177 | 0 | 0 | 0 | 0 | 111.7 | L186 A190 P203 W222 A224 | L186-V192 HydrophobicContact CD2-CB 4.36Å; L186-V192 HydrophobicContact CD2-CG2 3.47Å; L186-V192 VanDerWaalsContact CD2-CG2 3.47Å; A190-V192 PolarHBondContact O-N 2.68Å; V192-P203 VanDerWaalsContact O-CD 3.25Å; V192-P203 WeakPolarHBondContact O-CD 3.45Å; V192-P203 WeakPolarHBondContact O-CG 3.01Å; V192-W222 HydrophobicContact CG2-CB 4.29Å; V192-A224 HydrophobicContact CG1-CB 3.53Å |
| 193 | D | 90.8 | Very high | 91.8 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 21.7 | 177.4 | -67.4 | -35.5 | 0 | 0 | 0 | 112.2 | Q191 R195 A224 C225 | Q191-D193 VanDerWaalsContact C-N 3.34Å; Q191-D193 PolarHBondContact O-N 2.9Å; D193-R195 PolarHBondContact O-N 3.15Å; D193-A224 WeakPolarHBondContact OD1-CA 3.39Å; D193-C225 PolarHBondContact OD1-N 3.17Å; D193-C225 PolarHBondContact OD2-N 2.89Å; D193-C225 PolarHBondContact OD2-SG 3.37Å |
| 194 | G | 89.1 | Confident | 91.8 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 121.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | H171 Q191 P203 | H171-G194 PolarHBondContact CE1-O 3.21Å; H171-G194 PolarHBondContact NE2-O 2.9Å; H171-G194 VanDerWaalsContact NE2-O 3.09Å; Q191-G194 PolarHBondContact O-N 3.18Å; Q191-G194 VanDerWaalsContact O-N 3.07Å; G194-P203 WeakPolarHBondContact O-CD 3.41Å |
| 195 | R | 91.8 | Very high | 91.8 | Very high | 111 Ų | 111 | 48 Ų | 48 | 42% | 0.419 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -82.7 | 147.1 | -179 | -62.5 | -175.3 | -175.3 | -173.1 | 1.4 | 111.3 | R168 D193 E200 E201 T202 | R168-R195 PolarHBondContact NE-O 3.05Å; D193-R195 PolarHBondContact O-N 3.15Å; R195-E200 IonicContact CZ-OE2 3.95Å; R195-E200 IonicContact NH1-OE2 2.83Å; R195-E200 PolarHBondContact NH1-OE2 3.37Å; R195-E201 CarbonylContact C-O 3.56Å; R195-E201 VanDerWaalsContact CA-O 3.3Å; R195-E201 WeakPolarHBondContact CA-O 3.33Å; R195-T202 HydrophobicContact CG-CG2 4.38Å |
| 196 | S | 91.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 150.9 | 161.9 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | G166 E200 E201 | G166-S196 CarbonylContact O-C 3.56Å; G166-S196 WeakPolarHBondContact O-CA 3.31Å; S196-E200 VanDerWaalsContact O-CA 3.26Å; S196-E200 WeakPolarHBondContact O-CA 3.1Å; S196-E200 PolarHBondContact O-N 2.95Å; S196-E200 PolarHBondContact OG-N 3.38Å; S196-E201 PolarHBondContact N-O 3.07Å; S196-E201 PolarHBondContact OG-N 2.95Å |
| 197 | E | 88.7 | Confident | 91.4 | Very high | 140 Ų | 140 | 48 Ų | 48 | 65% | 0.654 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -35.3 | -178.3 | -55.7 | -171 | 159.6 | 0 | 0 | 112.6 | G166 | G166-E197 PolarHBondContact O-N 3.31Š|
| 198 | D | 84.8 | Confident | 91.3 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 58% | 0.583 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -52.9 | -175.2 | -70.5 | -17.8 | 0 | 0 | 0 | 113.3 | D165 | D165-D198 VanDerWaalsContact O-OD2 3.07Š|
| 199 | E | 85.1 | Confident | 91.1 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 41% | 0.407 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -1.6 | -171.6 | -65.9 | 179 | -177.8 | 0 | 0 | 112.9 | E201 R209 N230 S231 | E199-E201 HydrophobicContact CB-CG 3.73Å; E199-E201 PolarHBondContact O-N 3.31Å; E199-E201 VanDerWaalsContact O-N 3.15Å; E199-R209 IonicContact OE2-NH1 2.68Å; E199-N230 WeakPolarHBondContact O-CB 3.4Å; E199-S231 WeakPolarHBondContact O-CB 3.34Å; E199-S231 PolarHBondContact O-N 3.25Å; E199-S231 PolarHBondContact O-OG 3.17Å |
| 200 | E | 90.8 | Very high | 90.8 | Very high | 81 Ų | 81 | 44 Ų | 44 | 38% | 0.379 | 21% | 0.209 | S | C | . | . | trans | 53 | 28 | -171.8 | -65.1 | -166.4 | -151.5 | 0 | 0 | 114.1 | R195 S196 | R195-E200 IonicContact CZ-OE2 3.95Å; R195-E200 IonicContact NH1-OE2 2.83Å; R195-E200 PolarHBondContact NH1-OE2 3.37Å; S196-E200 VanDerWaalsContact O-CA 3.26Å; S196-E200 WeakPolarHBondContact O-CA 3.1Å; S196-E200 PolarHBondContact O-N 2.95Å; S196-E200 PolarHBondContact OG-N 3.38Å | ||
| 201 | E | 91.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | trans | -75.9 | 146 | -179.8 | -69 | -168.4 | 141.2 | 0 | 0 | 111.1 | H171 R195 S196 E199 H205 R209 N230 | H171-E201 PolarHBondContact NE2-O 2.99Å; H171-E201 VanDerWaalsContact NE2-O 3.1Å; R195-E201 CarbonylContact C-O 3.56Å; R195-E201 VanDerWaalsContact CA-O 3.3Å; R195-E201 WeakPolarHBondContact CA-O 3.33Å; S196-E201 PolarHBondContact N-O 3.07Å; S196-E201 PolarHBondContact OG-N 2.95Å; E199-E201 HydrophobicContact CB-CG 3.73Å; E199-E201 PolarHBondContact O-N 3.31Å; E199-E201 VanDerWaalsContact O-N 3.15Å; E201-H205 HydrophobicContact CB-CB 4.29Å; E201-R209 VanDerWaalsContact CD-NH1 3.3Å; E201-R209 IonicContact OE1-CZ 3.78Å; E201-R209 IonicContact OE1-NH1 3.79Å; E201-R209 PolarHBondContact OE1-NH1 3.33Å; E201-R209 IonicContact OE1-NH2 3.79Å; E201-R209 IonicContact OE2-CZ 3.84Å; E201-R209 IonicContact OE2-NH1 3.96Å; E201-R209 PolarHBondContact OE2-NH1 2.99Å; E201-R209 IonicContact OE2-NH2 3.91Å; E201-R209 PolarHBondContact OE2-NH2 3.2Å; E201-N230 HydrophobicContact CG-CB 4.11Å | ||
| 202 | T | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -97.2 | 161.9 | 169 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | R195 L204 H205 V206 V228 | R195-T202 HydrophobicContact CG-CG2 4.38Å; T202-L204 PolarHBondContact O-N 2.68Å; T202-L204 VanDerWaalsContact O-N 3.11Å; T202-H205 PolarHBondContact N-ND1 3.47Å; T202-H205 VanDerWaalsContact O-CB 3.32Å; T202-H205 WeakPolarHBondContact O-CB 3.34Å; T202-H205 PolarHBondContact O-N 3.28Å; T202-H205 PolarHBondContact OG1-ND1 2.93Å; T202-V206 PolarHBondContact O-N 3.19Å; T202-V228 HydrophobicContact CG2-CB 3.95Å; T202-V228 HydrophobicContact CG2-CG1 3.53Å; T202-V228 HydrophobicContact CG2-CG2 4.27Å | ||
| 203 | P | 93.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.2 | -29.2 | 175.2 | -25.6 | 35.2 | 0 | 0 | 0 | 113.5 | L170 H171 V192 G194 V206 A207 L219 | L170-P203 HydrophobicContact CB-CG 4.11Å; L170-P203 HydrophobicContact CD2-CB 3.36Å; L170-P203 HydrophobicContact CD2-CG 3.68Å; L170-P203 HydrophobicContact CG-CB 4.47Å; L170-P203 HydrophobicContact CG-CG 4.34Å; H171-P203 WeakPolarHBondContact NE2-CD 3.32Å; V192-P203 VanDerWaalsContact O-CD 3.25Å; V192-P203 WeakPolarHBondContact O-CD 3.45Å; V192-P203 WeakPolarHBondContact O-CG 3.01Å; G194-P203 WeakPolarHBondContact O-CD 3.41Å; P203-V206 PolarHBondContact O-N 3.48Å; P203-A207 PolarHBondContact O-N 2.66Å; P203-L219 HydrophobicContact CB-CD1 4.07Å; P203-L219 HydrophobicContact CB-CD2 4.35Å |
| 204 | L | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 174.6 | -170.5 | 64.3 | 0 | 0 | 0 | 112.3 | T202 V206 A207 A208 A216 L219 L220 A224 P236 L265 | T202-L204 PolarHBondContact O-N 2.68Å; T202-L204 VanDerWaalsContact O-N 3.11Å; L204-V206 VanDerWaalsContact C-N 3.34Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.41Å; L204-A208 PolarHBondContact O-N 2.92Å; L204-A216 HydrophobicContact CD1-CB 3.95Å; L204-L219 HydrophobicContact CB-CD1 4.45Å; L204-L219 HydrophobicContact CD1-CB 4.27Å; L204-L219 HydrophobicContact CD1-CD1 4.37Å; L204-L220 HydrophobicContact CD1-CD1 4.29Å; L204-L220 HydrophobicContact CD1-CG 4.12Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CD2-CG 4.39Å; L204-A224 HydrophobicContact CD2-CB 4.25Å; L204-P236 HydrophobicContact CB-CG 4.42Å; L204-P236 HydrophobicContact CD2-CB 3.98Å; L204-P236 HydrophobicContact CD2-CG 3.83Å; L204-P236 HydrophobicContact CG-CB 3.89Å; L204-P236 HydrophobicContact CG-CG 4.06Å; L204-L265 HydrophobicContact CD2-CD2 4.17Å |
| 205 | H | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 172.2 | -69.1 | 87 | 0 | 0 | 0 | 111.2 | E201 T202 A208 R209 V228 W234 P236 | E201-H205 HydrophobicContact CB-CB 4.29Å; T202-H205 PolarHBondContact N-ND1 3.47Å; T202-H205 VanDerWaalsContact O-CB 3.32Å; T202-H205 WeakPolarHBondContact O-CB 3.34Å; T202-H205 PolarHBondContact O-N 3.28Å; T202-H205 PolarHBondContact OG1-ND1 2.93Å; H205-A208 PolarHBondContact O-N 3.49Å; H205-R209 WeakPolarHBondContact O-CB 3.49Å; H205-R209 PolarHBondContact O-N 3.15Å; H205-V228 PolarHBondContact CE1-O 3.04Å; H205-V228 VanDerWaalsContact CE1-O 3.32Å; H205-V228 PolarHBondContact NE2-O 3.37Å; H205-W234 PolarHBondContact NE2-O 3.14Å; H205-P236 WeakPolarHBondContact NE2-CD 3.33Å |
| 206 | V | 90.9 | Very high | 90.8 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | H171 T202 P203 L204 A208 R209 L210 | H171-V206 HydrophobicContact CB-CG2 4.3Å; T202-V206 PolarHBondContact O-N 3.19Å; P203-V206 PolarHBondContact O-N 3.48Å; L204-V206 VanDerWaalsContact C-N 3.34Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.46Å; V206-R209 PolarHBondContact O-N 2.91Å; V206-L210 HydrophobicContact CG1-CD1 3.98Å; V206-L210 HydrophobicContact CG1-CG 4.44Å; V206-L210 WeakPolarHBondContact O-CG 3.11Å; V206-L210 PolarHBondContact O-N 3.41Å |
| 207 | A | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P203 L204 L210 G211 H212 L215 A216 L219 | P203-A207 PolarHBondContact O-N 2.66Å; L204-A207 PolarHBondContact O-N 3.39Å; A207-L210 PolarHBondContact O-N 2.92Å; A207-G211 PolarHBondContact O-N 3.42Å; A207-G211 VanDerWaalsContact O-N 3.09Å; A207-H212 PolarHBondContact O-N 3.06Å; A207-L215 HydrophobicContact CB-CB 4.34Å; A207-L215 HydrophobicContact CB-CD2 3.68Å; A207-L215 HydrophobicContact CB-CG 3.82Å; A207-A216 HydrophobicContact CB-CB 4.37Å; A207-L219 HydrophobicContact CB-CD1 4.08Å |
| 208 | A | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L204 H205 V206 L210 G211 P236 T239 A240 L261 | L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.41Å; L204-A208 PolarHBondContact O-N 2.92Å; H205-A208 PolarHBondContact O-N 3.49Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.46Å; A208-L210 VanDerWaalsContact C-N 3.3Å; A208-L210 PolarHBondContact O-N 3.25Å; A208-G211 PolarHBondContact O-N 3.44Å; A208-G211 VanDerWaalsContact O-N 3.09Å; A208-P236 WeakPolarHBondContact CB-O 3.3Å; A208-T239 WeakPolarHBondContact CB-OG1 3.38Å; A208-A240 HydrophobicContact CB-CB 4.2Å; A208-L261 HydrophobicContact CB-CD2 3.84Å |
| 209 | R | 88.9 | Confident | 91.7 | Very high | 109 Ų | 109 | 33.1 Ų | 33.1 | 41% | 0.411 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.3 | -34.3 | 176.6 | 179.1 | 167.9 | 56.3 | -150.3 | -8.7 | 113 | E199 E201 H205 V206 G211 | E199-R209 IonicContact OE2-NH1 2.68Å; E201-R209 VanDerWaalsContact CD-NH1 3.3Å; E201-R209 IonicContact OE1-CZ 3.78Å; E201-R209 IonicContact OE1-NH1 3.79Å; E201-R209 PolarHBondContact OE1-NH1 3.33Å; E201-R209 IonicContact OE1-NH2 3.79Å; E201-R209 IonicContact OE2-CZ 3.84Å; E201-R209 IonicContact OE2-NH1 3.96Å; E201-R209 PolarHBondContact OE2-NH1 2.99Å; E201-R209 IonicContact OE2-NH2 3.91Å; E201-R209 PolarHBondContact OE2-NH2 3.2Å; H205-R209 WeakPolarHBondContact O-CB 3.49Å; H205-R209 PolarHBondContact O-N 3.15Å; V206-R209 PolarHBondContact O-N 2.91Å; R209-G211 VanDerWaalsContact C-N 3.34Å |
| 210 | L | 86.4 | Confident | 92.2 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 34% | 0.335 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -82.3 | -11.6 | 176 | -63.7 | 175.4 | 0 | 0 | 0 | 113 | R174 V206 A207 A208 H212 | R174-L210 HydrophobicContact CG-CD1 4.48Å; V206-L210 HydrophobicContact CG1-CD1 3.98Å; V206-L210 HydrophobicContact CG1-CG 4.44Å; V206-L210 WeakPolarHBondContact O-CG 3.11Å; V206-L210 PolarHBondContact O-N 3.41Å; A207-L210 PolarHBondContact O-N 2.92Å; A208-L210 VanDerWaalsContact C-N 3.3Å; A208-L210 PolarHBondContact O-N 3.25Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 WeakPolarHBondContact CB-CD2 3.17Å |
| 211 | G | 87.2 | Confident | 92.3 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 24.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A207 A208 R209 V213 | A207-G211 PolarHBondContact O-N 3.42Å; A207-G211 VanDerWaalsContact O-N 3.09Å; A208-G211 PolarHBondContact O-N 3.44Å; A208-G211 VanDerWaalsContact O-N 3.09Å; R209-G211 VanDerWaalsContact C-N 3.34Å; G211-V213 PolarHBondContact O-N 3.36Å |
| 212 | H | 89.6 | Confident | 92.4 | Very high | 76 Ų | 76 | 40.1 Ų | 40.1 | 35% | 0.352 | 18% | 0.18 | S | C | . | . | trans | -85.3 | 90.9 | 179.6 | -69.4 | -58.4 | 0 | 0 | 0 | 111.3 | A207 L210 E214 L215 A216 | A207-H212 PolarHBondContact O-N 3.06Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 WeakPolarHBondContact CB-CD2 3.17Å; H212-E214 PolarHBondContact O-N 3.46Å; H212-L215 HydrophobicContact CB-CB 3.81Å; H212-L215 HydrophobicContact CB-CD2 4.39Å; H212-L215 PolarHBondContact O-N 3.16Å; H212-A216 PolarHBondContact O-N 2.95Å | ||
| 213 | V | 92.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 17% | 0.17 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | -177.6 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | G211 L215 A216 D217 R257 Q260 L261 L264 | G211-V213 PolarHBondContact O-N 3.36Å; V213-L215 VanDerWaalsContact C-N 3.33Å; V213-L215 PolarHBondContact O-N 3.21Å; V213-A216 PolarHBondContact O-N 3.15Å; V213-D217 PolarHBondContact O-N 3.31Å; V213-R257 HydrophobicContact CG2-CB 4.46Å; V213-Q260 HydrophobicContact CG1-CB 4.15Å; V213-Q260 HydrophobicContact CG2-CB 3.96Å; V213-L261 HydrophobicContact CG2-CB 4.3Å; V213-L264 HydrophobicContact CG1-CD1 4.25Å |
| 214 | E | 92.9 | Very high | 92.2 | Very high | 138 Ų | 138 | 42.7 Ų | 42.7 | 65% | 0.645 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65.1 | -37.2 | -178.5 | -63.5 | 177.5 | 172.7 | 0 | 0 | 112.3 | L179 H212 D217 L218 | L179-E214 HydrophobicContact CD1-CB 4.2Å; L179-E214 HydrophobicContact CD2-CB 4.12Å; H212-E214 PolarHBondContact O-N 3.46Å; E214-D217 PolarHBondContact O-N 2.98Å; E214-L218 WeakPolarHBondContact O-CB 3.31Å; E214-L218 PolarHBondContact O-N 2.71Å |
| 215 | L | 93.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -43 | 175.3 | 176.4 | 61.9 | 0 | 0 | 0 | 111.1 | I178 L179 V182 A207 H212 V213 L218 L219 | I178-L215 HydrophobicContact CD1-CD2 3.7Å; I178-L215 HydrophobicContact CG1-CD2 4.39Å; L179-L215 HydrophobicContact CD2-CB 4.19Å; V182-L215 HydrophobicContact CB-CD1 4.05Å; V182-L215 HydrophobicContact CG1-CD1 3.97Å; V182-L215 HydrophobicContact CG2-CD1 3.71Å; A207-L215 HydrophobicContact CB-CB 4.34Å; A207-L215 HydrophobicContact CB-CD2 3.68Å; A207-L215 HydrophobicContact CB-CG 3.82Å; H212-L215 HydrophobicContact CB-CB 3.81Å; H212-L215 HydrophobicContact CB-CD2 4.39Å; H212-L215 PolarHBondContact O-N 3.16Å; V213-L215 VanDerWaalsContact C-N 3.33Å; V213-L215 PolarHBondContact O-N 3.21Å; L215-L218 PolarHBondContact O-N 2.88Å; L215-L219 HydrophobicContact CD1-CD1 4.33Å; L215-L219 HydrophobicContact CD1-CG 4.31Å; L215-L219 HydrophobicContact CG-CD1 4.17Å; L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 2.7Å |
| 216 | A | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L204 A207 H212 V213 L218 L219 L220 L261 | L204-A216 HydrophobicContact CD1-CB 3.95Å; A207-A216 HydrophobicContact CB-CB 4.37Å; H212-A216 PolarHBondContact O-N 2.95Å; V213-A216 PolarHBondContact O-N 3.15Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.41Å; A216-L219 PolarHBondContact O-N 3.3Å; A216-L220 WeakPolarHBondContact O-CB 3.45Å; A216-L220 WeakPolarHBondContact O-CD1 3.34Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.24Å; A216-L261 HydrophobicContact CB-CD1 3.39Å |
| 217 | D | 95 | Very high | 92.1 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 174.4 | -174.5 | 42.2 | 0 | 0 | 0 | 111.5 | V213 E214 L220 R221 L264 | V213-D217 PolarHBondContact O-N 3.31Å; E214-D217 PolarHBondContact O-N 2.98Å; D217-L220 PolarHBondContact O-N 2.98Å; D217-R221 VanDerWaalsContact O-CG 3.29Å; D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 3.12Å; D217-R221 IonicContact OD1-NE 3.34Å; D217-R221 PolarHBondContact OD1-NE 3.35Å; D217-R221 IonicContact OD1-NH2 3.52Å; D217-R221 IonicContact OD2-CZ 3.57Å; D217-R221 IonicContact OD2-NE 2.95Å; D217-R221 PolarHBondContact OD2-NE 2.96Å; D217-R221 IonicContact OD2-NH2 3.37Å; D217-R221 PolarHBondContact OD2-NH2 3.35Å; D217-L264 HydrophobicContact CB-CD1 3.68Å |
| 218 | L | 94.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -50.7 | 177.4 | -169.4 | 146.8 | 0 | 0 | 0 | 111.3 | L179 V182 E183 L186 E214 L215 A216 L220 R221 W222 | L179-L218 HydrophobicContact CD2-CD1 4.39Å; V182-L218 HydrophobicContact CB-CD2 4.48Å; V182-L218 HydrophobicContact CG1-CD2 3.67Å; E183-L218 HydrophobicContact CG-CD1 3.61Å; E183-L218 HydrophobicContact CG-CD2 4.5Å; L186-L218 HydrophobicContact CD1-CD2 3.69Å; E214-L218 WeakPolarHBondContact O-CB 3.31Å; E214-L218 PolarHBondContact O-N 2.71Å; L215-L218 PolarHBondContact O-N 2.88Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.41Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 2.94Å; L218-R221 PolarHBondContact O-N 3.01Å; L218-W222 VanDerWaalsContact O-CD1 3.22Å; L218-W222 PolarHBondContact O-N 2.9Å; L218-W222 VanDerWaalsContact O-N 3.1Å |
| 219 | L | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58 | -41.6 | 178.3 | -70.4 | 171.4 | 0 | 0 | 0 | 112.1 | L170 V182 L186 P203 L204 A207 L215 A216 W222 G223 A224 | L170-L219 HydrophobicContact CD2-CD2 3.73Å; V182-L219 HydrophobicContact CG1-CD2 4.08Å; L186-L219 HydrophobicContact CD1-CD2 4.44Å; P203-L219 HydrophobicContact CB-CD1 4.07Å; P203-L219 HydrophobicContact CB-CD2 4.35Å; L204-L219 HydrophobicContact CB-CD1 4.45Å; L204-L219 HydrophobicContact CD1-CB 4.27Å; L204-L219 HydrophobicContact CD1-CD1 4.37Å; A207-L219 HydrophobicContact CB-CD1 4.08Å; L215-L219 HydrophobicContact CD1-CD1 4.33Å; L215-L219 HydrophobicContact CD1-CG 4.31Å; L215-L219 HydrophobicContact CG-CD1 4.17Å; L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 2.7Å; A216-L219 PolarHBondContact O-N 3.3Å; L219-W222 CarbonylContact O-C 3.54Å; L219-W222 PolarHBondContact O-N 3.49Å; L219-G223 PolarHBondContact O-N 3.28Å; L219-A224 HydrophobicContact CB-CB 4.05Å; L219-A224 WeakPolarHBondContact O-CB 3.33Å; L219-A224 PolarHBondContact O-N 3.07Å |
| 220 | L | 94.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 179.1 | -71 | 160.5 | 0 | 0 | 0 | 112.2 | L204 A216 D217 L218 W222 G223 A224 P226 L264 L265 V268 | L204-L220 HydrophobicContact CD1-CD1 4.29Å; L204-L220 HydrophobicContact CD1-CG 4.12Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CD2-CG 4.39Å; A216-L220 WeakPolarHBondContact O-CB 3.45Å; A216-L220 WeakPolarHBondContact O-CD1 3.34Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.24Å; D217-L220 PolarHBondContact O-N 2.98Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 2.94Å; L220-W222 PolarHBondContact O-N 3.02Å; L220-G223 PolarHBondContact O-N 3.25Å; L220-A224 HydrophobicContact CD2-CB 4.44Å; L220-P226 HydrophobicContact CD2-CB 4.34Å; L220-L264 HydrophobicContact CD1-CD2 3.12Å; L220-L264 HydrophobicContact CG-CD2 4.47Å; L220-L265 HydrophobicContact CD1-CD2 3.98Å; L220-V268 HydrophobicContact CD1-CG2 4.29Å; L220-V268 HydrophobicContact CD2-CG1 4.02Å |
| 221 | R | 94 | Very high | 92.6 | Very high | 193 Ų | 193 | 52.1 Ų | 52.1 | 73% | 0.728 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.2 | -31.1 | 172.8 | -71.2 | 173.8 | -171.6 | -156.3 | 7.1 | 112.9 | D217 L218 G223 | D217-R221 VanDerWaalsContact O-CG 3.29Å; D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 3.12Å; D217-R221 IonicContact OD1-NE 3.34Å; D217-R221 PolarHBondContact OD1-NE 3.35Å; D217-R221 IonicContact OD1-NH2 3.52Å; D217-R221 IonicContact OD2-CZ 3.57Å; D217-R221 IonicContact OD2-NE 2.95Å; D217-R221 PolarHBondContact OD2-NE 2.96Å; D217-R221 IonicContact OD2-NH2 3.37Å; D217-R221 PolarHBondContact OD2-NH2 3.35Å; L218-R221 PolarHBondContact O-N 3.01Å; R221-G223 PolarHBondContact O-N 3.01Å |
| 222 | W | 92.5 | Very high | 92.7 | Very high | 112 Ų | 112 | 56.7 Ų | 56.7 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 5.7 | 174.4 | -77.6 | 90.1 | 0 | 0 | 0 | 113.5 | L186 K187 V192 L218 L219 L220 | L186-W222 HydrophobicContact CB-CD2 4.01Å; L186-W222 HydrophobicContact CB-CE3 4Å; L186-W222 HydrophobicContact CB-CH2 4.38Å; L186-W222 HydrophobicContact CB-CZ2 4.38Å; L186-W222 HydrophobicContact CB-CZ3 4.19Å; L186-W222 HydrophobicContact CD1-CB 3.91Å; L186-W222 HydrophobicContact CD1-CD2 3.89Å; L186-W222 HydrophobicContact CD1-CG 3.56Å; K187-W222 HydrophobicContact CG-CH2 3.9Å; K187-W222 HydrophobicContact CG-CZ2 4.23Å; V192-W222 HydrophobicContact CG2-CB 4.29Å; L218-W222 VanDerWaalsContact O-CD1 3.22Å; L218-W222 PolarHBondContact O-N 2.9Å; L218-W222 VanDerWaalsContact O-N 3.1Å; L219-W222 CarbonylContact O-C 3.54Å; L219-W222 PolarHBondContact O-N 3.49Å; L220-W222 PolarHBondContact O-N 3.02Å |
| 223 | G | 91.1 | Very high | 92.8 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 21 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L219 L220 R221 | L219-G223 PolarHBondContact O-N 3.28Å; L220-G223 PolarHBondContact O-N 3.25Å; R221-G223 PolarHBondContact O-N 3.01Å |
| 224 | A | 93.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | trans | -59.3 | 136.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | V192 D193 L204 L219 L220 P226 | V192-A224 HydrophobicContact CG1-CB 3.53Å; D193-A224 WeakPolarHBondContact OD1-CA 3.39Å; L204-A224 HydrophobicContact CD2-CB 4.25Å; L219-A224 HydrophobicContact CB-CB 4.05Å; L219-A224 WeakPolarHBondContact O-CB 3.33Å; L219-A224 PolarHBondContact O-N 3.07Å; L220-A224 HydrophobicContact CD2-CB 4.44Å; A224-P226 WeakPolarHBondContact O-CD 3.43Å | ||
| 225 | C | 92.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 38% | 0.378 | 24% | 0.236 | S | C | . | . | trans | -83.5 | 119.3 | 179.5 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | D193 H227 V228 | D193-C225 PolarHBondContact OD1-N 3.17Å; D193-C225 PolarHBondContact OD2-N 2.89Å; D193-C225 PolarHBondContact OD2-SG 3.37Å; C225-H227 PolarHBondContact O-N 3.2Å; C225-V228 HydrophobicContact CB-CG2 3.65Å | ||
| 226 | P | 92.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.8 | -179 | 32.3 | -36.9 | 0 | 0 | 0 | 114 | L220 A224 P236 L265 V268 A270 | L220-P226 HydrophobicContact CD2-CB 4.34Å; A224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-P236 WeakPolarHBondContact O-CD 3.28Å; P226-L265 HydrophobicContact CB-CD2 4.35Å; P226-V268 HydrophobicContact CG-CG1 4.31Å; P226-A270 HydrophobicContact CB-CB 4.01Å |
| 227 | H | 91.5 | Very high | 92.8 | Very high | 105 Ų | 105 | 47 Ų | 47 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -2.3 | -175.2 | -58.7 | -68.1 | 0 | 0 | 0 | 114.3 | C225 R229 G269 | C225-H227 PolarHBondContact O-N 3.2Å; H227-R229 PolarHBondContact O-N 3.38Å; H227-G269 PolarHBondContact CE1-O 3.24Å; H227-G269 PolarHBondContact NE2-O 3.09Å |
| 228 | V | 92.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | trans | -62.6 | 139.2 | -177.7 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | T202 H205 C225 P236 | T202-V228 HydrophobicContact CG2-CB 3.95Å; T202-V228 HydrophobicContact CG2-CG1 3.53Å; T202-V228 HydrophobicContact CG2-CG2 4.27Å; H205-V228 PolarHBondContact CE1-O 3.04Å; H205-V228 VanDerWaalsContact CE1-O 3.32Å; H205-V228 PolarHBondContact NE2-O 3.37Å; C225-V228 HydrophobicContact CB-CG2 3.65Å; V228-P236 WeakPolarHBondContact O-CD 3.34Å | ||
| 229 | R | 92.6 | Very high | 92.6 | Very high | 125 Ų | 125 | 44.5 Ų | 44.5 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | trans | -109.3 | 134.6 | 175.9 | -66.9 | -177.1 | -175.6 | -172.6 | -1 | 109.7 | H227 W234 T235 | H227-R229 PolarHBondContact O-N 3.38Å; R229-W234 VanDerWaalsContact CA-O 3.25Å; R229-W234 WeakPolarHBondContact CA-O 3.41Å; R229-T235 HydrophobicContact CG-CG2 3.97Å | ||
| 230 | N | 92.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | trans | -77.1 | -177.6 | 171.5 | 81.3 | -10.3 | 0 | 0 | 0 | 111.2 | E199 E201 E232 G233 W234 | E199-N230 WeakPolarHBondContact O-CB 3.4Å; E201-N230 HydrophobicContact CG-CB 4.11Å; N230-E232 PolarHBondContact O-N 3.39Å; N230-E232 PolarHBondContact OD1-N 3.17Å; N230-E232 VanDerWaalsContact OD1-N 3.15Å; N230-G233 WeakPolarHBondContact O-CA 3.44Å; N230-G233 PolarHBondContact O-N 3.45Å; N230-G233 PolarHBondContact OD1-N 2.99Å; N230-G233 VanDerWaalsContact OD1-N 3.11Å; N230-W234 PolarHBondContact N-O 3.37Å; N230-W234 WeakPolarHBondContact OD1-CB 3.34Å; N230-W234 PolarHBondContact OD1-N 3.04Å | ||
| 231 | S | 91.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.6 | -176 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | E199 Q277 | E199-S231 WeakPolarHBondContact O-CB 3.34Å; E199-S231 PolarHBondContact O-N 3.25Å; E199-S231 PolarHBondContact O-OG 3.17Å; S231-Q277 PolarHBondContact O-NE2 3.49Å |
| 232 | E | 88.9 | Confident | 91.8 | Very high | 108 Ų | 108 | 36.3 Ų | 36.3 | 51% | 0.505 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 3.7 | 176.3 | -65.4 | -177.6 | 177.4 | 0 | 0 | 112.9 | N230 W234 Q277 | N230-E232 PolarHBondContact O-N 3.39Å; N230-E232 PolarHBondContact OD1-N 3.17Å; N230-E232 VanDerWaalsContact OD1-N 3.15Å; E232-W234 PolarHBondContact OE2-NE1 3.46Å; E232-Q277 WeakPolarHBondContact O-CB 3.44Å; E232-Q277 WeakPolarHBondContact O-CG 3.4Å; E232-Q277 PolarHBondContact O-N 3.17Å; E232-Q277 VanDerWaalsContact O-N 3.14Å |
| 233 | G | 91.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | trans | 81.2 | 11.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N230 N276 | N230-G233 WeakPolarHBondContact O-CA 3.44Å; N230-G233 PolarHBondContact O-N 3.45Å; N230-G233 PolarHBondContact OD1-N 2.99Å; N230-G233 VanDerWaalsContact OD1-N 3.11Å; G233-N276 WeakPolarHBondContact O-CA 3.34Å | ||
| 234 | W | 93.2 | Very high | 90.1 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | trans | -72.7 | 138.6 | 177.2 | -65.1 | 69.2 | 0 | 0 | 0 | 110.9 | H205 R229 N230 E232 L238 T239 D242 N276 L285 | H205-W234 PolarHBondContact NE2-O 3.14Å; R229-W234 VanDerWaalsContact CA-O 3.25Å; R229-W234 WeakPolarHBondContact CA-O 3.41Å; N230-W234 PolarHBondContact N-O 3.37Å; N230-W234 WeakPolarHBondContact OD1-CB 3.34Å; N230-W234 PolarHBondContact OD1-N 3.04Å; E232-W234 PolarHBondContact OE2-NE1 3.46Å; W234-L238 HydrophobicContact CD2-CB 4.43Å; W234-L238 HydrophobicContact CE3-CB 3.58Å; W234-L238 HydrophobicContact CZ3-CB 4.14Å; W234-T239 HydrophobicContact CB-CG2 4.03Å; W234-T239 HydrophobicContact CE3-CG2 4.04Å; W234-D242 HydrophobicContact CH2-CB 4.13Å; W234-D242 HydrophobicContact CZ3-CB 3.76Å; W234-N276 HydrophobicContact CG-CB 4.49Å; W234-L285 HydrophobicContact CE3-CD1 4.43Å; W234-L285 HydrophobicContact CH2-CD1 3.95Å; W234-L285 HydrophobicContact CH2-CD2 4.21Å; W234-L285 HydrophobicContact CZ3-CD1 3.5Å; W234-L285 VanDerWaalsContact CZ3-CD1 3.5Å | ||
| 235 | T | 93.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | trans | -94.7 | 161.7 | 166.4 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | R229 L237 L238 T239 A274 | R229-T235 HydrophobicContact CG-CG2 3.97Å; T235-L237 PolarHBondContact O-N 3.36Å; T235-L237 VanDerWaalsContact O-N 3.12Å; T235-L238 HydrophobicContact CG2-CD1 4.49Å; T235-L238 WeakPolarHBondContact O-CB 3.38Å; T235-L238 PolarHBondContact O-N 2.67Å; T235-L238 WeakPolarHBondContact OG1-CG 3.32Å; T235-L238 PolarHBondContact OG1-N 2.66Å; T235-T239 PolarHBondContact O-N 3.03Å; T235-A274 HydrophobicContact CG2-CB 3.77Å | ||
| 236 | P | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.8 | -29.4 | 173.9 | -23.9 | 32.8 | 0 | 0 | 0 | 113.1 | L204 H205 A208 P226 V228 T239 A240 L265 | L204-P236 HydrophobicContact CB-CG 4.42Å; L204-P236 HydrophobicContact CD2-CB 3.98Å; L204-P236 HydrophobicContact CD2-CG 3.83Å; L204-P236 HydrophobicContact CG-CB 3.89Å; L204-P236 HydrophobicContact CG-CG 4.06Å; H205-P236 WeakPolarHBondContact NE2-CD 3.33Å; A208-P236 WeakPolarHBondContact CB-O 3.3Å; P226-P236 WeakPolarHBondContact O-CD 3.28Å; V228-P236 WeakPolarHBondContact O-CD 3.34Å; P236-T239 WeakPolarHBondContact CA-OG1 3Å; P236-T239 PolarHBondContact O-OG1 3.23Å; P236-A240 WeakPolarHBondContact O-CB 3.34Å; P236-A240 PolarHBondContact O-N 3Å; P236-L265 HydrophobicContact CB-CD1 4.48Å; P236-L265 HydrophobicContact CB-CD2 4.41Å |
| 237 | L | 93.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.1 | -37.3 | 176.1 | -170.8 | 148 | 0 | 0 | 0 | 111.9 | T235 C241 L265 L266 A270 P282 | T235-L237 PolarHBondContact O-N 3.36Å; T235-L237 VanDerWaalsContact O-N 3.12Å; L237-C241 PolarHBondContact O-N 3.18Å; L237-C241 VanDerWaalsContact O-N 3.14Å; L237-C241 PolarHBondContact O-SG 2.96Å; L237-L265 HydrophobicContact CB-CD1 4.17Å; L237-L265 HydrophobicContact CD1-CB 4.2Å; L237-L266 HydrophobicContact CD1-CD2 3.57Å; L237-L266 HydrophobicContact CD1-CG 3.8Å; L237-A270 HydrophobicContact CB-CB 4.47Å; L237-A270 HydrophobicContact CD1-CB 3.7Å; L237-P282 HydrophobicContact CD2-CB 3.33Å; L237-P282 HydrophobicContact CD2-CG 3.11Å |
| 238 | L | 92.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 172.3 | -77 | 164 | 0 | 0 | 0 | 111.2 | W234 T235 A240 C241 D242 N276 P282 L285 | W234-L238 HydrophobicContact CD2-CB 4.43Å; W234-L238 HydrophobicContact CE3-CB 3.58Å; W234-L238 HydrophobicContact CZ3-CB 4.14Å; T235-L238 HydrophobicContact CG2-CD1 4.49Å; T235-L238 WeakPolarHBondContact O-CB 3.38Å; T235-L238 PolarHBondContact O-N 2.67Å; T235-L238 WeakPolarHBondContact OG1-CG 3.32Å; T235-L238 PolarHBondContact OG1-N 2.66Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 2.93Å; L238-C241 PolarHBondContact O-N 3.49Å; L238-C241 VanDerWaalsContact O-N 3.14Å; L238-D242 PolarHBondContact O-N 2.72Å; L238-D242 VanDerWaalsContact O-N 3.1Å; L238-N276 HydrophobicContact CD1-CB 4.02Å; L238-P282 HydrophobicContact CD2-CB 4.5Å; L238-P282 HydrophobicContact CD2-CG 3.87Å; L238-P282 HydrophobicContact CG-CG 4.2Å; L238-L285 HydrophobicContact CB-CD1 4.26Å; L238-L285 HydrophobicContact CD2-CD1 3.64Å; L238-L285 WeakPolarHBondContact O-CD1 3.43Å |
| 239 | T | 91.3 | Very high | 83 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | A208 W234 T235 P236 C241 D242 | A208-T239 WeakPolarHBondContact CB-OG1 3.38Å; W234-T239 HydrophobicContact CB-CG2 4.03Å; W234-T239 HydrophobicContact CE3-CG2 4.04Å; T235-T239 PolarHBondContact O-N 3.03Å; P236-T239 WeakPolarHBondContact CA-OG1 3Å; P236-T239 PolarHBondContact O-OG1 3.23Å; T239-C241 VanDerWaalsContact C-N 3.29Å; T239-C241 PolarHBondContact O-N 3.27Å; T239-D242 PolarHBondContact O-N 2.86Å |
| 240 | A | 90.5 | Very high | 82.1 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A208 P236 L238 L261 L265 | A208-A240 HydrophobicContact CB-CB 4.2Å; P236-A240 WeakPolarHBondContact O-CB 3.34Å; P236-A240 PolarHBondContact O-N 3Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 2.93Å; A240-L261 HydrophobicContact CB-CD2 3.43Å; A240-L261 VanDerWaalsContact CB-CD2 3.43Å; A240-L261 HydrophobicContact CB-CG 3.97Å; A240-L265 HydrophobicContact CB-CD1 4.2Å |
| 241 | C | 88.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.5 | -20.5 | 179.4 | -66.5 | 0 | 0 | 0 | 0 | 113.6 | L237 L238 T239 C262 L285 H289 | L237-C241 PolarHBondContact O-N 3.18Å; L237-C241 VanDerWaalsContact O-N 3.14Å; L237-C241 PolarHBondContact O-SG 2.96Å; L238-C241 PolarHBondContact O-N 3.49Å; L238-C241 VanDerWaalsContact O-N 3.14Å; T239-C241 VanDerWaalsContact C-N 3.29Å; T239-C241 PolarHBondContact O-N 3.27Å; C241-C262 VanDerWaalsContact SG-SG 3.7Å; C241-L285 HydrophobicContact CB-CB 3.88Å; C241-L285 HydrophobicContact CB-CD1 4.33Å; C241-H289 PolarHBondContact O-CD2 3.41Å |
| 242 | D | 87.3 | Confident | 80.7 | Confident | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.4 | 177.1 | -167.4 | 52.7 | 0 | 0 | 0 | 113.8 | W234 L238 T239 R244 L285 H289 | W234-D242 HydrophobicContact CH2-CB 4.13Å; W234-D242 HydrophobicContact CZ3-CB 3.76Å; L238-D242 PolarHBondContact O-N 2.72Å; L238-D242 VanDerWaalsContact O-N 3.1Å; T239-D242 PolarHBondContact O-N 2.86Å; D242-R244 VanDerWaalsContact O-CG 3.31Å; D242-R244 WeakPolarHBondContact O-CG 3.39Å; D242-R244 PolarHBondContact O-N 3.17Å; D242-L285 HydrophobicContact CB-CD1 4.31Å; D242-H289 IonicContact OD1-CD2 3.93Å; D242-H289 IonicContact OD1-CE1 3.55Å; D242-H289 IonicContact OD1-NE2 2.88Å; D242-H289 PolarHBondContact OD1-NE2 3.12Å |
| 243 | A | 78.1 | Confident | 80.4 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 12% | 0.116 | 28% | 0.277 | C | S | . | . | trans | -54.9 | 108.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C258 | A243-C258 VanDerWaalsContact CB-SG 3.57Š| ||
| 244 | R | 70.5 | Confident | 80 | Confident | 179 Ų | 179 | 52 Ų | 52 | 68% | 0.675 | 28% | 0.279 | S | S | * | . | trans | -82.3 | 127.2 | -174.9 | -62.3 | -168.5 | -71.8 | -115.2 | 4.6 | 110.9 | D242 Q246 | D242-R244 VanDerWaalsContact O-CG 3.31Å; D242-R244 WeakPolarHBondContact O-CG 3.39Å; D242-R244 PolarHBondContact O-N 3.17Å; R244-Q246 PolarHBondContact O-N 2.96Å | ||
| 245 | C | 64.7 | Low | 79.4 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 30% | 0.297 | 28% | 0.284 | S | S | . | . | trans | -69.6 | 110.7 | 166.5 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | S247 A251 | C245-S247 VanDerWaalsContact C-N 3.32Å; C245-A251 HydrophobicContact CB-CB 4.33Å | ||
| 246 | Q | 62.2 | Low | 79.1 | Confident | 201 Ų | 201 | 55.5 Ų | 55.5 | 94% | 0.939 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -77.9 | -20.1 | 176.2 | -63.8 | 179.1 | 11.6 | 0 | 0 | 112.4 | R244 | R244-Q246 PolarHBondContact O-N 2.96Š|
| 247 | S | 61.4 | Low | 78.9 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -137.6 | 142.3 | -179.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | C245 V249 D250 A251 | C245-S247 VanDerWaalsContact C-N 3.32Å; S247-V249 VanDerWaalsContact C-N 3.26Å; S247-V249 PolarHBondContact O-N 3.25Å; S247-V249 PolarHBondContact OG-N 3.11Å; S247-D250 PolarHBondContact O-N 3.32Å; S247-A251 PolarHBondContact O-N 2.9Å |
| 248 | P | 62.4 | Low | 78.7 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -67.7 | -24.8 | 176.2 | 28 | -34.5 | 0 | 0 | 0 | 113 | D250 A251 | P248-D250 VanDerWaalsContact C-N 3.32Å; P248-A251 WeakPolarHBondContact O-CB 3.45Å; P248-A251 PolarHBondContact O-N 2.91Å |
| 249 | V | 64.1 | Low | 78.6 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -32.4 | -179.2 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | S247 | S247-V249 VanDerWaalsContact C-N 3.26Å; S247-V249 PolarHBondContact O-N 3.25Å; S247-V249 PolarHBondContact OG-N 3.11Å |
| 250 | D | 73.6 | Confident | 78.7 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 5.8 | 179.6 | -59.5 | -51.5 | 0 | 0 | 0 | 112.8 | S247 P248 E252 A253 T254 | S247-D250 PolarHBondContact O-N 3.32Å; P248-D250 VanDerWaalsContact C-N 3.32Å; D250-E252 PolarHBondContact O-N 3.14Å; D250-A253 PolarHBondContact O-N 2.8Å; D250-T254 VanDerWaalsContact O-CB 3.29Å; D250-T254 WeakPolarHBondContact O-CB 3.27Å; D250-T254 PolarHBondContact O-N 3.09Å; D250-T254 PolarHBondContact O-OG1 3.25Å |
| 251 | A | 74.4 | Confident | 78.8 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C245 S247 P248 T254 A255 | C245-A251 HydrophobicContact CB-CB 4.33Å; S247-A251 PolarHBondContact O-N 2.9Å; P248-A251 WeakPolarHBondContact O-CB 3.45Å; P248-A251 PolarHBondContact O-N 2.91Å; A251-T254 PolarHBondContact O-N 3.41Å; A251-A255 WeakPolarHBondContact O-CB 3.5Å; A251-A255 PolarHBondContact O-N 3.28Å |
| 252 | E | 77.8 | Confident | 79 | Confident | 132 Ų | 132 | 68.3 Ų | 68.3 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68 | -45 | 177.4 | -172.9 | 179 | -179.6 | 0 | 0 | 111.5 | D250 T254 A255 N256 | D250-E252 PolarHBondContact O-N 3.14Å; E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.27Å; E252-A255 PolarHBondContact O-N 3.29Å; E252-N256 WeakPolarHBondContact O-CB 3.37Å; E252-N256 VanDerWaalsContact O-CG 3.27Å; E252-N256 PolarHBondContact O-N 3.02Å; E252-N256 PolarHBondContact O-ND2 3.34Å |
| 253 | A | 83.1 | Confident | 79.3 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | D250 N256 R257 | D250-A253 PolarHBondContact O-N 2.8Å; A253-N256 PolarHBondContact O-N 3.38Å; A253-R257 VanDerWaalsContact O-CG 3.32Å; A253-R257 WeakPolarHBondContact O-CG 3.32Å; A253-R257 PolarHBondContact O-N 3.4Å |
| 254 | T | 82.9 | Confident | 80.1 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 176 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | D250 A251 E252 N256 R257 C258 | D250-T254 VanDerWaalsContact O-CB 3.29Å; D250-T254 WeakPolarHBondContact O-CB 3.27Å; D250-T254 PolarHBondContact O-N 3.09Å; D250-T254 PolarHBondContact O-OG1 3.25Å; A251-T254 PolarHBondContact O-N 3.41Å; E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.27Å; T254-N256 VanDerWaalsContact C-N 3.28Å; T254-N256 PolarHBondContact O-N 3.21Å; T254-R257 PolarHBondContact O-N 3.28Å; T254-R257 VanDerWaalsContact O-N 3.15Å; T254-C258 PolarHBondContact O-N 2.94Å; T254-C258 PolarHBondContact O-SG 2.97Å |
| 255 | A | 82.3 | Confident | 81.2 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A251 E252 C258 F259 | A251-A255 WeakPolarHBondContact O-CB 3.5Å; A251-A255 PolarHBondContact O-N 3.28Å; E252-A255 PolarHBondContact O-N 3.29Å; A255-C258 PolarHBondContact O-N 2.69Å; A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.36Å |
| 256 | N | 86.7 | Confident | 82.6 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -43 | 175.9 | -73.9 | -24.7 | 0 | 0 | 0 | 112 | E252 A253 T254 F259 Q260 | E252-N256 WeakPolarHBondContact O-CB 3.37Å; E252-N256 VanDerWaalsContact O-CG 3.27Å; E252-N256 PolarHBondContact O-N 3.02Å; E252-N256 PolarHBondContact O-ND2 3.34Å; A253-N256 PolarHBondContact O-N 3.38Å; T254-N256 VanDerWaalsContact C-N 3.28Å; T254-N256 PolarHBondContact O-N 3.21Å; N256-F259 PolarHBondContact O-N 3.09Å; N256-Q260 WeakPolarHBondContact O-CB 3.19Å; N256-Q260 VanDerWaalsContact O-CG 3.31Å; N256-Q260 WeakPolarHBondContact O-CG 3.37Å; N256-Q260 PolarHBondContact O-N 3.46Å |
| 257 | R | 88.9 | Confident | 84.1 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 173.8 | -70.5 | 179.2 | -153.1 | 115.2 | -0.7 | 111.5 | V213 A253 T254 F259 Q260 L261 | V213-R257 HydrophobicContact CG2-CB 4.46Å; A253-R257 VanDerWaalsContact O-CG 3.32Å; A253-R257 WeakPolarHBondContact O-CG 3.32Å; A253-R257 PolarHBondContact O-N 3.4Å; T254-R257 PolarHBondContact O-N 3.28Å; T254-R257 VanDerWaalsContact O-N 3.15Å; R257-F259 VanDerWaalsContact C-N 3.33Å; R257-F259 PolarHBondContact O-N 3.33Å; R257-Q260 PolarHBondContact O-N 3.47Å; R257-L261 VanDerWaalsContact O-CB 3.25Å; R257-L261 WeakPolarHBondContact O-CB 3.31Å; R257-L261 PolarHBondContact O-N 2.87Å |
| 258 | C | 88.9 | Confident | 85.5 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.7 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | A243 T254 A255 L261 C262 V294 | A243-C258 VanDerWaalsContact CB-SG 3.57Å; T254-C258 PolarHBondContact O-N 2.94Å; T254-C258 PolarHBondContact O-SG 2.97Å; A255-C258 PolarHBondContact O-N 2.69Å; C258-L261 PolarHBondContact O-N 3.48Å; C258-C262 VanDerWaalsContact O-CB 3.28Å; C258-C262 WeakPolarHBondContact O-CB 3.23Å; C258-C262 PolarHBondContact O-N 3.45Å; C258-C262 PolarHBondContact O-SG 2.86Å; C258-V294 HydrophobicContact CB-CG2 4.42Å |
| 259 | F | 91.2 | Very high | 86.8 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 31% | 0.311 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 175.8 | 174.6 | -93.6 | 0 | 0 | 0 | 112 | A255 N256 R257 L261 C262 S263 A293 V294 L297 | A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.36Å; N256-F259 PolarHBondContact O-N 3.09Å; R257-F259 VanDerWaalsContact C-N 3.33Å; R257-F259 PolarHBondContact O-N 3.33Å; F259-L261 PolarHBondContact O-N 3.22Å; F259-C262 PolarHBondContact O-N 2.85Å; F259-S263 VanDerWaalsContact O-CB 3.31Å; F259-S263 WeakPolarHBondContact O-CB 3.41Å; F259-S263 PolarHBondContact O-N 3.25Å; F259-S263 PolarHBondContact O-OG 3.09Å; F259-A293 HydrophobicContact CD2-CB 3.42Å; F259-A293 VanDerWaalsContact CD2-CB 3.42Å; F259-A293 HydrophobicContact CE2-CB 3.85Å; F259-A293 HydrophobicContact CG-CB 4.18Å; F259-V294 HydrophobicContact CB-CG2 4.24Å; F259-L297 HydrophobicContact CD2-CD1 3.39Å; F259-L297 HydrophobicContact CD2-CG 4.01Å; F259-L297 HydrophobicContact CE2-CD1 3.18Å; F259-L297 HydrophobicContact CE2-CD2 3.93Å; F259-L297 HydrophobicContact CE2-CG 3.46Å; F259-L297 VanDerWaalsContact CE2-CG 3.46Å; F259-L297 HydrophobicContact CG-CD1 4.28Å; F259-L297 HydrophobicContact CZ-CD1 3.87Å; F259-L297 HydrophobicContact CZ-CD2 4.28Å; F259-L297 HydrophobicContact CZ-CG 4.26Å |
| 260 | Q | 92.7 | Very high | 88.2 | Confident | 100 Ų | 100 | 48.4 Ų | 48.4 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 178.7 | -73.3 | 173.2 | -1.3 | 0 | 0 | 111.2 | V213 N256 R257 S263 L264 | V213-Q260 HydrophobicContact CG1-CB 4.15Å; V213-Q260 HydrophobicContact CG2-CB 3.96Å; N256-Q260 WeakPolarHBondContact O-CB 3.19Å; N256-Q260 VanDerWaalsContact O-CG 3.31Å; N256-Q260 WeakPolarHBondContact O-CG 3.37Å; N256-Q260 PolarHBondContact O-N 3.46Å; R257-Q260 PolarHBondContact O-N 3.47Å; Q260-S263 PolarHBondContact O-N 3.04Å; Q260-S263 PolarHBondContact O-OG 3.49Å; Q260-L264 WeakPolarHBondContact O-CB 3.32Å; Q260-L264 PolarHBondContact O-N 3.15Å |
| 261 | L | 92.8 | Very high | 89 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 179.1 | -175.7 | 65.7 | 0 | 0 | 0 | 112.5 | A208 V213 A216 A240 R257 C258 F259 S263 L264 L265 | A208-L261 HydrophobicContact CB-CD2 3.84Å; V213-L261 HydrophobicContact CG2-CB 4.3Å; A216-L261 HydrophobicContact CB-CD1 3.39Å; A240-L261 HydrophobicContact CB-CD2 3.43Å; A240-L261 VanDerWaalsContact CB-CD2 3.43Å; A240-L261 HydrophobicContact CB-CG 3.97Å; R257-L261 VanDerWaalsContact O-CB 3.25Å; R257-L261 WeakPolarHBondContact O-CB 3.31Å; R257-L261 PolarHBondContact O-N 2.87Å; C258-L261 PolarHBondContact O-N 3.48Å; F259-L261 PolarHBondContact O-N 3.22Å; L261-S263 VanDerWaalsContact C-N 3.35Å; L261-L264 PolarHBondContact O-N 3.09Å; L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 4.15Å; L261-L265 WeakPolarHBondContact O-CG 3.36Å; L261-L265 PolarHBondContact O-N 3.19Å |
| 262 | C | 93.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.2 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | C241 C258 F259 L264 L265 L266 V294 | C241-C262 VanDerWaalsContact SG-SG 3.7Å; C258-C262 VanDerWaalsContact O-CB 3.28Å; C258-C262 WeakPolarHBondContact O-CB 3.23Å; C258-C262 PolarHBondContact O-N 3.45Å; C258-C262 PolarHBondContact O-SG 2.86Å; F259-C262 PolarHBondContact O-N 2.85Å; C262-L264 VanDerWaalsContact C-N 3.28Å; C262-L264 PolarHBondContact O-N 3.1Å; C262-L265 PolarHBondContact O-N 3.14Å; C262-L266 VanDerWaalsContact O-CB 3.31Å; C262-L266 WeakPolarHBondContact O-CB 3.25Å; C262-L266 WeakPolarHBondContact O-CG 3.3Å; C262-L266 PolarHBondContact O-N 3.43Å; C262-V294 HydrophobicContact CB-CG1 4.34Å |
| 263 | S | 94.3 | Very high | 90.3 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 177 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | F259 Q260 L261 S267 | F259-S263 VanDerWaalsContact O-CB 3.31Å; F259-S263 WeakPolarHBondContact O-CB 3.41Å; F259-S263 PolarHBondContact O-N 3.25Å; F259-S263 PolarHBondContact O-OG 3.09Å; Q260-S263 PolarHBondContact O-N 3.04Å; Q260-S263 PolarHBondContact O-OG 3.49Å; L261-S263 VanDerWaalsContact C-N 3.35Å; S263-S267 WeakPolarHBondContact O-CB 3.43Å; S263-S267 PolarHBondContact O-N 3.47Å |
| 264 | L | 94.7 | Very high | 90.7 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.3 | -49.5 | 178.7 | -165 | 153.3 | 0 | 0 | 0 | 110.7 | V213 D217 L220 Q260 L261 C262 L266 S267 V268 | V213-L264 HydrophobicContact CG1-CD1 4.25Å; D217-L264 HydrophobicContact CB-CD1 3.68Å; L220-L264 HydrophobicContact CD1-CD2 3.12Å; L220-L264 HydrophobicContact CG-CD2 4.47Å; Q260-L264 WeakPolarHBondContact O-CB 3.32Å; Q260-L264 PolarHBondContact O-N 3.15Å; L261-L264 PolarHBondContact O-N 3.09Å; C262-L264 VanDerWaalsContact C-N 3.28Å; C262-L264 PolarHBondContact O-N 3.1Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 3.14Å; L264-S267 PolarHBondContact O-N 3.29Å; L264-S267 VanDerWaalsContact O-N 3.14Å; L264-S267 PolarHBondContact O-OG 3.4Å; L264-V268 HydrophobicContact CD2-CG2 4.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.43Å; L264-V268 PolarHBondContact O-N 3.12Å; L264-V268 VanDerWaalsContact O-N 3.15Å |
| 265 | L | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 177.2 | -71.3 | 168.8 | 0 | 0 | 0 | 111.9 | L204 L220 P226 P236 L237 A240 L261 C262 S267 V268 G269 A270 | L204-L265 HydrophobicContact CD2-CD2 4.17Å; L220-L265 HydrophobicContact CD1-CD2 3.98Å; P226-L265 HydrophobicContact CB-CD2 4.35Å; P236-L265 HydrophobicContact CB-CD1 4.48Å; P236-L265 HydrophobicContact CB-CD2 4.41Å; L237-L265 HydrophobicContact CB-CD1 4.17Å; L237-L265 HydrophobicContact CD1-CB 4.2Å; A240-L265 HydrophobicContact CB-CD1 4.2Å; L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 4.15Å; L261-L265 WeakPolarHBondContact O-CG 3.36Å; L261-L265 PolarHBondContact O-N 3.19Å; C262-L265 PolarHBondContact O-N 3.14Å; L265-S267 VanDerWaalsContact C-N 3.33Å; L265-S267 PolarHBondContact O-N 3.1Å; L265-V268 PolarHBondContact O-N 2.88Å; L265-G269 PolarHBondContact O-N 2.87Å; L265-A270 HydrophobicContact CB-CB 3.95Å; L265-A270 WeakPolarHBondContact O-CB 3.28Å; L265-A270 PolarHBondContact O-N 3.07Å |
| 266 | L | 93.4 | Very high | 91.5 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 176.3 | -70.2 | 170.8 | 0 | 0 | 0 | 112.2 | L237 C262 L264 V268 G269 A272 L298 | L237-L266 HydrophobicContact CD1-CD2 3.57Å; L237-L266 HydrophobicContact CD1-CG 3.8Å; C262-L266 VanDerWaalsContact O-CB 3.31Å; C262-L266 WeakPolarHBondContact O-CB 3.25Å; C262-L266 WeakPolarHBondContact O-CG 3.3Å; C262-L266 PolarHBondContact O-N 3.43Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 3.14Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 3.43Å; L266-G269 PolarHBondContact O-N 3.04Å; L266-A272 HydrophobicContact CD2-CB 3.64Å; L266-L298 HydrophobicContact CD1-CD2 4.26Å |
| 267 | S | 93.1 | Very high | 91.7 | Very high | 96 Ų | 96 | 43.8 Ų | 43.8 | 67% | 0.671 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.4 | -30.3 | 176.9 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | S263 L264 L265 G269 | S263-S267 WeakPolarHBondContact O-CB 3.43Å; S263-S267 PolarHBondContact O-N 3.47Å; L264-S267 PolarHBondContact O-N 3.29Å; L264-S267 VanDerWaalsContact O-N 3.14Å; L264-S267 PolarHBondContact O-OG 3.4Å; L265-S267 VanDerWaalsContact C-N 3.33Å; L265-S267 PolarHBondContact O-N 3.1Å; S267-G269 PolarHBondContact O-N 3.09Å |
| 268 | V | 92.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 42.8 Ų | 42.8 | 44% | 0.442 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.3 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | L220 P226 L264 L265 L266 | L220-V268 HydrophobicContact CD1-CG2 4.29Å; L220-V268 HydrophobicContact CD2-CG1 4.02Å; P226-V268 HydrophobicContact CG-CG1 4.31Å; L264-V268 HydrophobicContact CD2-CG2 4.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.43Å; L264-V268 PolarHBondContact O-N 3.12Å; L264-V268 VanDerWaalsContact O-N 3.15Å; L265-V268 PolarHBondContact O-N 2.88Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 3.43Å |
| 269 | G | 89.6 | Confident | 91.7 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 19.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H227 L265 L266 S267 | H227-G269 PolarHBondContact CE1-O 3.24Å; H227-G269 PolarHBondContact NE2-O 3.09Å; L265-G269 PolarHBondContact O-N 2.87Å; L266-G269 PolarHBondContact O-N 3.04Å; S267-G269 PolarHBondContact O-N 3.09Å |
| 270 | A | 92.5 | Very high | 91.7 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | trans | -54.2 | 141.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P226 L237 L265 A272 | P226-A270 HydrophobicContact CB-CB 4.01Å; L237-A270 HydrophobicContact CB-CB 4.47Å; L237-A270 HydrophobicContact CD1-CB 3.7Å; L265-A270 HydrophobicContact CB-CB 3.95Å; L265-A270 WeakPolarHBondContact O-CB 3.28Å; L265-A270 PolarHBondContact O-N 3.07Å; A270-A272 PolarHBondContact O-N 2.72Å; A270-A272 VanDerWaalsContact O-N 3.16Å | ||
| 271 | D | 91.4 | Very high | 91.7 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | trans | -73.5 | 109.2 | 179.7 | 178.4 | 10.9 | 0 | 0 | 0 | 110.4 | D273 A274 | D271-D273 PolarHBondContact O-N 3.4Å; D271-D273 PolarHBondContact OD1-N 2.85Å; D271-A274 HydrophobicContact CB-CB 4.07Å; D271-A274 WeakPolarHBondContact O-CB 3.35Å; D271-A274 PolarHBondContact O-N 3.15Å | ||
| 272 | A | 90.4 | Very high | 91.7 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L266 A270 P282 L298 C301 V303 | L266-A272 HydrophobicContact CD2-CB 3.64Å; A270-A272 PolarHBondContact O-N 2.72Å; A270-A272 VanDerWaalsContact O-N 3.16Å; A272-P282 WeakPolarHBondContact O-CD 3.44Å; A272-P282 WeakPolarHBondContact O-CG 3.41Å; A272-L298 HydrophobicContact CB-CD2 4.13Å; A272-C301 HydrophobicContact CB-CB 4.16Å; A272-V303 HydrophobicContact CB-CG2 3.53Å |
| 273 | D | 89.1 | Confident | 91.6 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 6.1 | -176.5 | -155.7 | 33.3 | 0 | 0 | 0 | 112.4 | D271 A275 R281 | D271-D273 PolarHBondContact O-N 3.4Å; D271-D273 PolarHBondContact OD1-N 2.85Å; D273-A275 PolarHBondContact O-N 3.27Å; D273-R281 PolarHBondContact O-NH1 2.93Å; D273-R281 VanDerWaalsContact OD1-CD 3.31Å; D273-R281 WeakPolarHBondContact OD1-CD 3.42Å; D273-R281 IonicContact OD1-CZ 2.72Å; D273-R281 IonicContact OD1-NE 2.84Å; D273-R281 IonicContact OD1-NH1 3.65Å; D273-R281 PolarHBondContact OD1-NH1 3.39Å; D273-R281 IonicContact OD2-CZ 2.85Å; D273-R281 IonicContact OD2-NH1 3.19Å; D273-R281 PolarHBondContact OD2-NH1 3.37Å; D273-R281 IonicContact OD2-NH2 3.19Å |
| 274 | A | 90.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | trans | -59.4 | 125.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T235 D271 P282 | T235-A274 HydrophobicContact CG2-CB 3.77Å; D271-A274 HydrophobicContact CB-CB 4.07Å; D271-A274 WeakPolarHBondContact O-CB 3.35Å; D271-A274 PolarHBondContact O-N 3.15Å; A274-P282 WeakPolarHBondContact O-CD 3.45Å | ||
| 275 | A | 91.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | trans | -102.2 | 139.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | D273 Q280 R281 | D273-A275 PolarHBondContact O-N 3.27Å; A275-Q280 WeakPolarHBondContact CA-O 3.44Å; A275-R281 HydrophobicContact CB-CG 3.99Å | ||
| 276 | N | 91.6 | Very high | 91 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | trans | -76.6 | -175.5 | 168.8 | 70 | 3.4 | 0 | 0 | 0 | 111.8 | G233 W234 L238 D278 K279 Q280 | G233-N276 WeakPolarHBondContact O-CA 3.34Å; W234-N276 HydrophobicContact CG-CB 4.49Å; L238-N276 HydrophobicContact CD1-CB 4.02Å; N276-D278 VanDerWaalsContact C-N 3.26Å; N276-D278 PolarHBondContact O-N 3.1Å; N276-D278 WeakPolarHBondContact OD1-CA 3.32Å; N276-D278 PolarHBondContact OD1-N 2.94Å; N276-D278 VanDerWaalsContact OD1-N 3.11Å; N276-K279 WeakPolarHBondContact O-CA 3.23Å; N276-K279 PolarHBondContact O-N 2.64Å; N276-K279 PolarHBondContact OD1-N 3.39Å; N276-Q280 PolarHBondContact N-O 3.07Å; N276-Q280 PolarHBondContact ND2-OE1 3.07Å; N276-Q280 WeakPolarHBondContact OD1-CA 3.29Å; N276-Q280 WeakPolarHBondContact OD1-CB 3.37Å; N276-Q280 PolarHBondContact OD1-N 2.97Å; N276-Q280 PolarHBondContact OD1-O 3.48Å | ||
| 277 | Q | 89.8 | Confident | 90.8 | Very high | 131 Ų | 131 | 39.7 Ų | 39.7 | 61% | 0.612 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.8 | 178 | -77.6 | 175.7 | 6.7 | 0 | 0 | 113.5 | S231 E232 K279 | S231-Q277 PolarHBondContact O-NE2 3.49Å; E232-Q277 WeakPolarHBondContact O-CB 3.44Å; E232-Q277 WeakPolarHBondContact O-CG 3.4Å; E232-Q277 PolarHBondContact O-N 3.17Å; E232-Q277 VanDerWaalsContact O-N 3.14Å; Q277-K279 PolarHBondContact O-N 3.48Å |
| 278 | D | 88.8 | Confident | 90.4 | Very high | 88 Ų | 88 | 40.8 Ų | 40.8 | 47% | 0.471 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 8.8 | 175.3 | -68.6 | -32.9 | 0 | 0 | 0 | 113.5 | N276 Q280 Y310 | N276-D278 VanDerWaalsContact C-N 3.26Å; N276-D278 PolarHBondContact O-N 3.1Å; N276-D278 WeakPolarHBondContact OD1-CA 3.32Å; N276-D278 PolarHBondContact OD1-N 2.94Å; N276-D278 VanDerWaalsContact OD1-N 3.11Å; D278-Q280 HydrophobicContact CB-CG 3.96Å; D278-Q280 PolarHBondContact O-N 3.25Å; D278-Q280 VanDerWaalsContact O-N 3.07Å; D278-Y310 WeakPolarHBondContact O-CB 3.16Å; D278-Y310 PolarHBondContact O-N 3.3Å |
| 279 | K | 90.5 | Very high | 89.9 | Confident | 121 Ų | 121 | 38.4 Ų | 38.4 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | trans | 56.4 | 17.8 | -172.4 | -60.4 | -178.1 | 177 | 177.9 | 0 | 113.8 | N276 Q277 | N276-K279 WeakPolarHBondContact O-CA 3.23Å; N276-K279 PolarHBondContact O-N 2.64Å; N276-K279 PolarHBondContact OD1-N 3.39Å; Q277-K279 PolarHBondContact O-N 3.48Å | ||
| 280 | Q | 90.3 | Very high | 89.5 | Confident | 29 Ų | 29 | 37 Ų | 37 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | trans | -71.9 | 132.6 | 171.5 | -60.7 | 173.1 | -20.3 | 0 | 0 | 108.3 | A275 N276 D278 D309 | A275-Q280 WeakPolarHBondContact CA-O 3.44Å; N276-Q280 PolarHBondContact N-O 3.07Å; N276-Q280 PolarHBondContact ND2-OE1 3.07Å; N276-Q280 WeakPolarHBondContact OD1-CA 3.29Å; N276-Q280 WeakPolarHBondContact OD1-CB 3.37Å; N276-Q280 PolarHBondContact OD1-N 2.97Å; N276-Q280 PolarHBondContact OD1-O 3.48Å; D278-Q280 HydrophobicContact CB-CG 3.96Å; D278-Q280 PolarHBondContact O-N 3.25Å; D278-Q280 VanDerWaalsContact O-N 3.07Å; Q280-D309 HydrophobicContact CG-CB 4.02Å | ||
| 281 | R | 93.3 | Very high | 89.2 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 23% | 0.234 | 18% | 0.18 | C | C | . | . | trans | -109.4 | 163.1 | 179.3 | -57.5 | 175.8 | -177.8 | -107.3 | 23.7 | 109.2 | D273 A275 L283 H284 L285 | D273-R281 PolarHBondContact O-NH1 2.93Å; D273-R281 VanDerWaalsContact OD1-CD 3.31Å; D273-R281 WeakPolarHBondContact OD1-CD 3.42Å; D273-R281 IonicContact OD1-CZ 2.72Å; D273-R281 IonicContact OD1-NE 2.84Å; D273-R281 IonicContact OD1-NH1 3.65Å; D273-R281 PolarHBondContact OD1-NH1 3.39Å; D273-R281 IonicContact OD2-CZ 2.85Å; D273-R281 IonicContact OD2-NH1 3.19Å; D273-R281 PolarHBondContact OD2-NH1 3.37Å; D273-R281 IonicContact OD2-NH2 3.19Å; A275-R281 HydrophobicContact CB-CG 3.99Å; R281-L283 PolarHBondContact O-N 2.91Å; R281-L283 VanDerWaalsContact O-N 3.09Å; R281-H284 WeakPolarHBondContact CB-ND1 3.5Å; R281-H284 PolarHBondContact N-ND1 2.87Å; R281-H284 VanDerWaalsContact N-ND1 3.12Å; R281-H284 WeakPolarHBondContact O-CB 3.46Å; R281-H284 PolarHBondContact O-N 3.44Å; R281-L285 PolarHBondContact O-N 3.33Å | ||
| 282 | P | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.5 | -38.1 | -178.4 | -29.4 | 38.6 | 0 | 0 | 0 | 112.9 | L237 L238 A272 A274 H284 L285 A286 L298 | L237-P282 HydrophobicContact CD2-CB 3.33Å; L237-P282 HydrophobicContact CD2-CG 3.11Å; L238-P282 HydrophobicContact CD2-CB 4.5Å; L238-P282 HydrophobicContact CD2-CG 3.87Å; L238-P282 HydrophobicContact CG-CG 4.2Å; A272-P282 WeakPolarHBondContact O-CD 3.44Å; A272-P282 WeakPolarHBondContact O-CG 3.41Å; A274-P282 WeakPolarHBondContact O-CD 3.45Å; P282-H284 VanDerWaalsContact C-N 3.32Å; P282-H284 PolarHBondContact O-N 2.94Å; P282-L285 PolarHBondContact O-N 3.37Å; P282-A286 WeakPolarHBondContact O-CB 3.4Å; P282-A286 PolarHBondContact O-N 2.96Å; P282-L298 HydrophobicContact CB-CD1 3.8Å; P282-L298 HydrophobicContact CB-CD2 4.1Å |
| 283 | L | 92.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -37.1 | 177.6 | -169.7 | 64 | 0 | 0 | 0 | 112.6 | R281 C287 V295 L298 L299 V303 P315 L338 | R281-L283 PolarHBondContact O-N 2.91Å; R281-L283 VanDerWaalsContact O-N 3.09Å; L283-C287 VanDerWaalsContact O-CB 3.23Å; L283-C287 WeakPolarHBondContact O-CB 3.37Å; L283-C287 PolarHBondContact O-N 3.27Å; L283-C287 PolarHBondContact O-SG 2.99Å; L283-V295 HydrophobicContact CD1-CB 4.47Å; L283-V295 HydrophobicContact CD1-CG1 4Å; L283-V295 HydrophobicContact CD1-CG2 4.43Å; L283-L298 HydrophobicContact CB-CD1 4.4Å; L283-L298 HydrophobicContact CD1-CB 4.21Å; L283-L298 HydrophobicContact CD1-CD1 4.41Å; L283-L299 HydrophobicContact CD1-CD2 4.27Å; L283-L299 HydrophobicContact CD1-CG 4.2Å; L283-L299 HydrophobicContact CD2-CD2 3.97Å; L283-V303 HydrophobicContact CB-CG1 4.24Å; L283-V303 HydrophobicContact CD2-CG1 4.19Å; L283-P315 HydrophobicContact CB-CG 4.44Å; L283-P315 HydrophobicContact CD2-CB 4Å; L283-P315 HydrophobicContact CD2-CG 3.74Å; L283-P315 HydrophobicContact CG-CB 3.87Å; L283-P315 HydrophobicContact CG-CG 3.97Å; L283-L338 HydrophobicContact CD1-CD2 4.34Å; L283-L338 HydrophobicContact CD2-CD2 4.21Å; L283-L338 HydrophobicContact CG-CD2 4.44Å |
| 284 | H | 91.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.3 | -62.4 | 92.2 | 0 | 0 | 0 | 111.5 | R281 P282 R288 A307 H313 P315 | R281-H284 WeakPolarHBondContact CB-ND1 3.5Å; R281-H284 PolarHBondContact N-ND1 2.87Å; R281-H284 VanDerWaalsContact N-ND1 3.12Å; R281-H284 WeakPolarHBondContact O-CB 3.46Å; R281-H284 PolarHBondContact O-N 3.44Å; P282-H284 VanDerWaalsContact C-N 3.32Å; P282-H284 PolarHBondContact O-N 2.94Å; H284-R288 WeakPolarHBondContact O-CB 3.31Å; H284-R288 PolarHBondContact O-N 3.45Å; H284-A307 PolarHBondContact NE2-O 3.35Å; H284-H313 PolarHBondContact NE2-O 3.46Å; H284-P315 WeakPolarHBondContact NE2-CD 3.34Å |
| 285 | L | 88.9 | Confident | 88.9 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.7 | -46.3 | -179.1 | -61.7 | 173.9 | 0 | 0 | 0 | 111.4 | W234 L238 C241 D242 R281 P282 C287 R288 H289 | W234-L285 HydrophobicContact CE3-CD1 4.43Å; W234-L285 HydrophobicContact CH2-CD1 3.95Å; W234-L285 HydrophobicContact CH2-CD2 4.21Å; W234-L285 HydrophobicContact CZ3-CD1 3.5Å; W234-L285 VanDerWaalsContact CZ3-CD1 3.5Å; L238-L285 HydrophobicContact CB-CD1 4.26Å; L238-L285 HydrophobicContact CD2-CD1 3.64Å; L238-L285 WeakPolarHBondContact O-CD1 3.43Å; C241-L285 HydrophobicContact CB-CB 3.88Å; C241-L285 HydrophobicContact CB-CD1 4.33Å; D242-L285 HydrophobicContact CB-CD1 4.31Å; R281-L285 PolarHBondContact O-N 3.33Å; P282-L285 PolarHBondContact O-N 3.37Å; L285-C287 VanDerWaalsContact C-N 3.27Å; L285-C287 PolarHBondContact O-N 2.89Å; L285-R288 WeakPolarHBondContact O-CB 3.24Å; L285-R288 PolarHBondContact O-N 2.84Å; L285-R288 VanDerWaalsContact O-N 3.1Å; L285-H289 PolarHBondContact O-CD2 3.15Å; L285-H289 PolarHBondContact O-N 3.43Å |
| 286 | A | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | P282 G290 H291 V294 V295 L298 | P282-A286 WeakPolarHBondContact O-CB 3.4Å; P282-A286 PolarHBondContact O-N 2.96Å; A286-G290 PolarHBondContact O-N 3.02Å; A286-G290 VanDerWaalsContact O-N 3.07Å; A286-H291 PolarHBondContact O-N 3.25Å; A286-V294 HydrophobicContact CB-CB 4.26Å; A286-V294 HydrophobicContact CB-CG1 3.86Å; A286-V295 HydrophobicContact CB-CG2 3.86Å; A286-L298 HydrophobicContact CB-CD1 4.2Å |
| 287 | C | 88.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 174 | -73.8 | 0 | 0 | 0 | 0 | 112.6 | L283 L285 H289 G290 P315 C318 A319 I334 | L283-C287 VanDerWaalsContact O-CB 3.23Å; L283-C287 WeakPolarHBondContact O-CB 3.37Å; L283-C287 PolarHBondContact O-N 3.27Å; L283-C287 PolarHBondContact O-SG 2.99Å; L285-C287 VanDerWaalsContact C-N 3.27Å; L285-C287 PolarHBondContact O-N 2.89Å; C287-H289 VanDerWaalsContact C-N 3.32Å; C287-H289 PolarHBondContact O-N 2.77Å; C287-G290 PolarHBondContact O-N 2.92Å; C287-P315 WeakPolarHBondContact CB-O 3.28Å; C287-C318 HydrophobicContact CB-CB 4.42Å; C287-A319 HydrophobicContact CB-CB 4Å; C287-A319 WeakPolarHBondContact O-CA 3.13Å; C287-I334 HydrophobicContact CB-CG2 4.48Å |
| 288 | R | 85.9 | Confident | 88.9 | Confident | 120 Ų | 120 | 32.3 Ų | 32.3 | 45% | 0.453 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 179.6 | -170.6 | 178.3 | -165.2 | 169.1 | 3.8 | 112.3 | H284 L285 C318 G322 P323 | H284-R288 WeakPolarHBondContact O-CB 3.31Å; H284-R288 PolarHBondContact O-N 3.45Å; L285-R288 WeakPolarHBondContact O-CB 3.24Å; L285-R288 PolarHBondContact O-N 2.84Å; L285-R288 VanDerWaalsContact O-N 3.1Å; R288-C318 HydrophobicContact CB-CB 4.46Å; R288-G322 WeakPolarHBondContact O-CA 3.32Å; R288-P323 WeakPolarHBondContact O-CD 3.19Å |
| 289 | H | 80.8 | Confident | 89 | Confident | 23 Ų | 23 | 28.2 Ų | 28.2 | 11% | 0.106 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -93.5 | -4.7 | -177.7 | -64.1 | -55.5 | 0 | 0 | 0 | 114.3 | C241 D242 L285 C287 A326 | C241-H289 PolarHBondContact O-CD2 3.41Å; D242-H289 IonicContact OD1-CD2 3.93Å; D242-H289 IonicContact OD1-CE1 3.55Å; D242-H289 IonicContact OD1-NE2 2.88Å; D242-H289 PolarHBondContact OD1-NE2 3.12Å; L285-H289 PolarHBondContact O-CD2 3.15Å; L285-H289 PolarHBondContact O-N 3.43Å; C287-H289 VanDerWaalsContact C-N 3.32Å; C287-H289 PolarHBondContact O-N 2.77Å; H289-A326 WeakPolarHBondContact O-CB 3.46Å |
| 290 | G | 82 | Confident | 88.9 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 13% | 0.134 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 23.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A286 C287 S292 I334 | A286-G290 PolarHBondContact O-N 3.02Å; A286-G290 VanDerWaalsContact O-N 3.07Å; C287-G290 PolarHBondContact O-N 2.92Å; G290-S292 PolarHBondContact O-N 3.37Å; G290-I334 VanDerWaalsContact C-CD1 3.46Å; G290-I334 VanDerWaalsContact CA-CD1 3.42Å |
| 291 | H | 84.9 | Confident | 88.8 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | trans | -81 | 79 | -179.7 | -60.9 | -43.3 | 0 | 0 | 0 | 112 | A286 A293 V294 V295 | A286-H291 PolarHBondContact O-N 3.25Å; H291-A293 PolarHBondContact O-N 2.9Å; H291-V294 HydrophobicContact CB-CB 3.91Å; H291-V294 HydrophobicContact CB-CG2 3.9Å; H291-V294 PolarHBondContact O-N 2.97Å; H291-V294 VanDerWaalsContact O-N 3.1Å; H291-V295 WeakPolarHBondContact O-CG2 3.41Å; H291-V295 PolarHBondContact O-N 3.18Å | ||
| 292 | S | 86.3 | Confident | 88.3 | Confident | 37 Ų | 37 | 28.4 Ų | 28.4 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -53.7 | -45.2 | -175.4 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | G290 V294 V295 Q296 | G290-S292 PolarHBondContact O-N 3.37Å; S292-V294 VanDerWaalsContact C-N 3.35Å; S292-V294 PolarHBondContact O-N 3.43Å; S292-V295 PolarHBondContact O-N 3.42Å; S292-Q296 PolarHBondContact O-N 2.94Å |
| 293 | A | 88.6 | Confident | 88.1 | Confident | 37 Ų | 37 | 29 Ų | 29 | 31% | 0.306 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64 | -38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F259 H291 Q296 L297 | F259-A293 HydrophobicContact CD2-CB 3.42Å; F259-A293 VanDerWaalsContact CD2-CB 3.42Å; F259-A293 HydrophobicContact CE2-CB 3.85Å; F259-A293 HydrophobicContact CG-CB 4.18Å; H291-A293 PolarHBondContact O-N 2.9Å; A293-Q296 PolarHBondContact O-N 3.14Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.39Å; A293-L297 VanDerWaalsContact O-N 3.07Å |
| 294 | V | 90.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | C258 F259 C262 A286 H291 S292 Q296 L297 L298 | C258-V294 HydrophobicContact CB-CG2 4.42Å; F259-V294 HydrophobicContact CB-CG2 4.24Å; C262-V294 HydrophobicContact CB-CG1 4.34Å; A286-V294 HydrophobicContact CB-CB 4.26Å; A286-V294 HydrophobicContact CB-CG1 3.86Å; H291-V294 HydrophobicContact CB-CB 3.91Å; H291-V294 HydrophobicContact CB-CG2 3.9Å; H291-V294 PolarHBondContact O-N 2.97Å; H291-V294 VanDerWaalsContact O-N 3.1Å; S292-V294 VanDerWaalsContact C-N 3.35Å; S292-V294 PolarHBondContact O-N 3.43Å; V294-Q296 VanDerWaalsContact C-N 3.34Å; V294-Q296 PolarHBondContact O-N 3.46Å; V294-L297 PolarHBondContact O-N 2.84Å; V294-L298 HydrophobicContact CG1-CD1 3.88Å; V294-L298 HydrophobicContact CG1-CG 4.23Å; V294-L298 WeakPolarHBondContact O-CG 3.21Å; V294-L298 PolarHBondContact O-N 3.34Å |
| 295 | V | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -46.4 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.7 | L283 A286 H291 S292 L297 L298 L299 I334 L338 | L283-V295 HydrophobicContact CD1-CB 4.47Å; L283-V295 HydrophobicContact CD1-CG1 4Å; L283-V295 HydrophobicContact CD1-CG2 4.43Å; A286-V295 HydrophobicContact CB-CG2 3.86Å; H291-V295 WeakPolarHBondContact O-CG2 3.41Å; H291-V295 PolarHBondContact O-N 3.18Å; S292-V295 PolarHBondContact O-N 3.42Å; V295-L297 PolarHBondContact O-N 2.89Å; V295-L298 PolarHBondContact O-N 3.45Å; V295-L299 HydrophobicContact CG1-CD1 3.72Å; V295-L299 HydrophobicContact CG1-CG 4.31Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 VanDerWaalsContact O-CG 3.24Å; V295-L299 WeakPolarHBondContact O-CG 3.37Å; V295-L299 PolarHBondContact O-N 2.8Å; V295-I334 HydrophobicContact CG1-CG2 4.36Å; V295-I334 HydrophobicContact CG2-CG1 4.43Å; V295-I334 HydrophobicContact CG2-CG2 4.24Å; V295-L338 HydrophobicContact CG1-CD2 4.47Å |
| 296 | Q | 89.8 | Confident | 87.7 | Confident | 89 Ų | 89 | 34.5 Ų | 34.5 | 42% | 0.416 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.8 | -72.5 | -177.4 | -6.3 | 0 | 0 | 112.5 | S292 A293 V294 L299 S300 D337 | S292-Q296 PolarHBondContact O-N 2.94Å; A293-Q296 PolarHBondContact O-N 3.14Å; V294-Q296 VanDerWaalsContact C-N 3.34Å; V294-Q296 PolarHBondContact O-N 3.46Å; Q296-L299 PolarHBondContact O-N 3.04Å; Q296-S300 WeakPolarHBondContact O-CB 3.42Å; Q296-S300 PolarHBondContact O-N 3.5Å; Q296-D337 WeakPolarHBondContact CG-OD2 3.23Å; Q296-D337 PolarHBondContact NE2-OD2 3.1Å |
| 297 | L | 91.5 | Very high | 87.7 | Confident | 42 Ų | 42 | 35 Ų | 35 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 175.3 | -73.5 | -178.5 | 0 | 0 | 0 | 111.5 | F259 A293 V294 V295 L299 S300 C301 | F259-L297 HydrophobicContact CD2-CD1 3.39Å; F259-L297 HydrophobicContact CD2-CG 4.01Å; F259-L297 HydrophobicContact CE2-CD1 3.18Å; F259-L297 HydrophobicContact CE2-CD2 3.93Å; F259-L297 HydrophobicContact CE2-CG 3.46Å; F259-L297 VanDerWaalsContact CE2-CG 3.46Å; F259-L297 HydrophobicContact CG-CD1 4.28Å; F259-L297 HydrophobicContact CZ-CD1 3.87Å; F259-L297 HydrophobicContact CZ-CD2 4.28Å; F259-L297 HydrophobicContact CZ-CG 4.26Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.39Å; A293-L297 VanDerWaalsContact O-N 3.07Å; V294-L297 PolarHBondContact O-N 2.84Å; V295-L297 PolarHBondContact O-N 2.89Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.33Å; L297-S300 WeakPolarHBondContact O-CB 3.38Å; L297-S300 PolarHBondContact O-N 3.07Å; L297-S300 VanDerWaalsContact O-N 3.1Å; L297-S300 PolarHBondContact O-OG 3.24Å; L297-C301 PolarHBondContact O-N 3.4Å; L297-C301 VanDerWaalsContact O-N 3.09Å; L297-C301 PolarHBondContact O-SG 3.06Å; L297-C301 VanDerWaalsContact O-SG 3.34Å |
| 298 | L | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | -178.5 | -68.5 | 172.2 | 0 | 0 | 0 | 112 | L266 A272 P282 L283 A286 V294 V295 S300 C301 V303 | L266-L298 HydrophobicContact CD1-CD2 4.26Å; A272-L298 HydrophobicContact CB-CD2 4.13Å; P282-L298 HydrophobicContact CB-CD1 3.8Å; P282-L298 HydrophobicContact CB-CD2 4.1Å; L283-L298 HydrophobicContact CB-CD1 4.4Å; L283-L298 HydrophobicContact CD1-CB 4.21Å; L283-L298 HydrophobicContact CD1-CD1 4.41Å; A286-L298 HydrophobicContact CB-CD1 4.2Å; V294-L298 HydrophobicContact CG1-CD1 3.88Å; V294-L298 HydrophobicContact CG1-CG 4.23Å; V294-L298 WeakPolarHBondContact O-CG 3.21Å; V294-L298 PolarHBondContact O-N 3.34Å; V295-L298 PolarHBondContact O-N 3.45Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 2.97Å; L298-C301 WeakPolarHBondContact O-CB 3.48Å; L298-C301 PolarHBondContact O-N 3.14Å; L298-V303 HydrophobicContact CB-CG2 4.47Å; L298-V303 WeakPolarHBondContact O-CB 3.31Å; L298-V303 VanDerWaalsContact O-CG2 3.23Å; L298-V303 WeakPolarHBondContact O-CG2 3.43Å; L298-V303 PolarHBondContact O-N 3.01Å |
| 299 | L | 90.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | 175.2 | -69.9 | 173.2 | 0 | 0 | 0 | 112 | L283 V295 Q296 L297 C301 G302 A305 D337 L338 Y341 | L283-L299 HydrophobicContact CD1-CD2 4.27Å; L283-L299 HydrophobicContact CD1-CG 4.2Å; L283-L299 HydrophobicContact CD2-CD2 3.97Å; V295-L299 HydrophobicContact CG1-CD1 3.72Å; V295-L299 HydrophobicContact CG1-CG 4.31Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 VanDerWaalsContact O-CG 3.24Å; V295-L299 WeakPolarHBondContact O-CG 3.37Å; V295-L299 PolarHBondContact O-N 2.8Å; Q296-L299 PolarHBondContact O-N 3.04Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.33Å; L299-C301 PolarHBondContact O-N 3.04Å; L299-G302 PolarHBondContact O-N 3.38Å; L299-A305 HydrophobicContact CD2-CB 4.14Å; L299-D337 HydrophobicContact CD1-CB 4.12Å; L299-L338 HydrophobicContact CD1-CD2 4.3Å; L299-L338 HydrophobicContact CD2-CD2 4.4Å; L299-Y341 HydrophobicContact CB-CD1 3.94Å; L299-Y341 HydrophobicContact CB-CD2 3.95Å; L299-Y341 HydrophobicContact CB-CE1 3.9Å; L299-Y341 HydrophobicContact CB-CE2 3.9Å; L299-Y341 HydrophobicContact CB-CG 3.96Å; L299-Y341 HydrophobicContact CD1-CD2 3.67Å; L299-Y341 HydrophobicContact CD1-CE2 4.12Å; L299-Y341 HydrophobicContact CD1-CG 4.06Å; L299-Y341 HydrophobicContact CD2-CD1 4.47Å; L299-Y341 HydrophobicContact CD2-CG 4.1Å; L299-Y341 HydrophobicContact CG-CD2 4.27Å; L299-Y341 HydrophobicContact CG-CG 4.26Å; L299-Y341 WeakPolarHBondContact O-CE1 3.37Å |
| 300 | S | 88.8 | Confident | 88.3 | Confident | 79 Ų | 79 | 43.6 Ų | 43.6 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.9 | -27.2 | 174.9 | 79.9 | 0 | 0 | 0 | 0 | 113 | Q296 L297 L298 G302 | Q296-S300 WeakPolarHBondContact O-CB 3.42Å; Q296-S300 PolarHBondContact O-N 3.5Å; L297-S300 WeakPolarHBondContact O-CB 3.38Å; L297-S300 PolarHBondContact O-N 3.07Å; L297-S300 VanDerWaalsContact O-N 3.1Å; L297-S300 PolarHBondContact O-OG 3.24Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 2.97Å; S300-G302 PolarHBondContact O-N 2.86Å |
| 301 | C | 87.9 | Confident | 88.4 | Confident | 71 Ų | 71 | 45.5 Ų | 45.5 | 48% | 0.48 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.5 | 172 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | A272 L297 L298 L299 V303 | A272-C301 HydrophobicContact CB-CB 4.16Å; L297-C301 PolarHBondContact O-N 3.4Å; L297-C301 VanDerWaalsContact O-N 3.09Å; L297-C301 PolarHBondContact O-SG 3.06Å; L297-C301 VanDerWaalsContact O-SG 3.34Å; L298-C301 WeakPolarHBondContact O-CB 3.48Å; L298-C301 PolarHBondContact O-N 3.14Å; L299-C301 PolarHBondContact O-N 3.04Å; C301-V303 HydrophobicContact CB-CG2 4.43Å |
| 302 | G | 84.1 | Confident | 88.6 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 68% | 0.68 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | 19.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L299 S300 | L299-G302 PolarHBondContact O-N 3.38Å; S300-G302 PolarHBondContact O-N 2.86Å |
| 303 | V | 87.8 | Confident | 88.6 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.085 | 30% | 0.298 | C | S | . | . | trans | -62.9 | 141.7 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | A272 L283 L298 C301 A305 | A272-V303 HydrophobicContact CB-CG2 3.53Å; L283-V303 HydrophobicContact CB-CG1 4.24Å; L283-V303 HydrophobicContact CD2-CG1 4.19Å; L298-V303 HydrophobicContact CB-CG2 4.47Å; L298-V303 WeakPolarHBondContact O-CB 3.31Å; L298-V303 VanDerWaalsContact O-CG2 3.23Å; L298-V303 WeakPolarHBondContact O-CG2 3.43Å; L298-V303 PolarHBondContact O-N 3.01Å; C301-V303 HydrophobicContact CB-CG2 4.43Å; V303-A305 PolarHBondContact O-N 3.48Å | ||
| 304 | S | 87.3 | Confident | 88.7 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | trans | -68.2 | 116.7 | -179.5 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | N306 A307 | S304-N306 PolarHBondContact O-N 3.29Å; S304-N306 VanDerWaalsContact O-N 3.15Å; S304-A307 WeakPolarHBondContact OG-CB 3.33Å | ||
| 305 | A | 86.7 | Confident | 88.7 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L299 V303 P315 A343 | L299-A305 HydrophobicContact CD2-CB 4.14Å; V303-A305 PolarHBondContact O-N 3.48Å; A305-P315 WeakPolarHBondContact O-CD 3.28Å; A305-A343 HydrophobicContact CB-CB 4.32Å |
| 306 | N | 88.8 | Confident | 88.6 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 9 | -171.2 | -66 | -37.4 | 0 | 0 | 0 | 113.9 | S304 G342 A343 V344 | S304-N306 PolarHBondContact O-N 3.29Å; S304-N306 VanDerWaalsContact O-N 3.15Å; N306-G342 PolarHBondContact ND2-O 3Å; N306-A343 WeakPolarHBondContact OD1-CA 3.36Å; N306-V344 HydrophobicContact CB-CG2 4.4Å; N306-V344 WeakPolarHBondContact OD1-CG2 3.29Å; N306-V344 PolarHBondContact OD1-N 2.98Å |
| 307 | A | 89.3 | Confident | 88.4 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | trans | -57.5 | 147.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | H284 S304 P315 | H284-A307 PolarHBondContact NE2-O 3.35Å; S304-A307 WeakPolarHBondContact OG-CB 3.33Å; A307-P315 WeakPolarHBondContact O-CD 3.45Å | ||
| 308 | M | 89.8 | Confident | 88.1 | Confident | 115 Ų | 115 | 44.5 Ų | 44.5 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | trans | -113 | 140.6 | 173.8 | -66.1 | -177.4 | -66.4 | 0 | 0 | 109.4 | H313 T314 | M308-H313 WeakPolarHBondContact CA-O 3.38Å; M308-T314 HydrophobicContact CG-CG2 4.01Å | ||
| 309 | D | 89.8 | Confident | 87.8 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | trans | -73.5 | 179.6 | 165.2 | 71.2 | 5.1 | 0 | 0 | 0 | 111.3 | Q280 G311 G312 H313 | Q280-D309 HydrophobicContact CG-CB 4.02Å; D309-G311 PolarHBondContact O-N 3.33Å; D309-G311 WeakPolarHBondContact OD1-CA 3.09Å; D309-G311 PolarHBondContact OD1-N 3.03Å; D309-G312 PolarHBondContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.45Å; D309-G312 VanDerWaalsContact OD1-N 3.07Å; D309-H313 PolarHBondContact N-O 2.75Å; D309-H313 VanDerWaalsContact N-O 3.09Å; D309-H313 WeakPolarHBondContact OD1-CB 3.4Å; D309-H313 IonicContact OD1-CD2 3.81Å; D309-H313 IonicContact OD1-CG 3.47Å; D309-H313 PolarHBondContact OD1-N 3.25Å; D309-H313 IonicContact OD2-CD2 2.71Å | ||
| 310 | Y | 87.9 | Confident | 87.5 | Confident | 188 Ų | 188 | 45 Ų | 45 | 74% | 0.737 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28 | 177.3 | -172 | -95.4 | 0 | 0 | 0 | 113.2 | D278 G312 | D278-Y310 WeakPolarHBondContact O-CB 3.16Å; D278-Y310 PolarHBondContact O-N 3.3Å; Y310-G312 VanDerWaalsContact C-N 3.25Å; Y310-G312 PolarHBondContact O-N 3.25Å |
| 311 | G | 84.6 | Confident | 87 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D309 H313 | D309-G311 PolarHBondContact O-N 3.33Å; D309-G311 WeakPolarHBondContact OD1-CA 3.09Å; D309-G311 PolarHBondContact OD1-N 3.03Å; G311-H313 PolarHBondContact O-N 2.99Å |
| 312 | G | 88 | Confident | 86.2 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 74.1 | 16.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D309 Y310 | D309-G312 PolarHBondContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.45Å; D309-G312 VanDerWaalsContact OD1-N 3.07Å; Y310-G312 VanDerWaalsContact C-N 3.25Å; Y310-G312 PolarHBondContact O-N 3.25Å |
| 313 | H | 87.7 | Confident | 85.4 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | trans | -85.5 | 129.4 | 175.2 | -58.3 | -59 | 0 | 0 | 0 | 109.9 | H284 M308 D309 G311 H317 | H284-H313 PolarHBondContact NE2-O 3.46Å; M308-H313 WeakPolarHBondContact CA-O 3.38Å; D309-H313 PolarHBondContact N-O 2.75Å; D309-H313 VanDerWaalsContact N-O 3.09Å; D309-H313 WeakPolarHBondContact OD1-CB 3.4Å; D309-H313 IonicContact OD1-CD2 3.81Å; D309-H313 IonicContact OD1-CG 3.47Å; D309-H313 PolarHBondContact OD1-N 3.25Å; D309-H313 IonicContact OD2-CD2 2.71Å; G311-H313 PolarHBondContact O-N 2.99Å; H313-H317 HydrophobicContact CB-CB 4.04Å | ||
| 314 | T | 90.8 | Very high | 84 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | trans | -81.1 | 163.9 | 167.9 | 59.6 | 0 | 0 | 0 | 0 | 109.6 | M308 L316 H317 C318 | M308-T314 HydrophobicContact CG-CG2 4.01Å; T314-L316 PolarHBondContact O-N 2.91Å; T314-L316 VanDerWaalsContact O-N 3.14Å; T314-H317 PolarHBondContact N-ND1 3.43Å; T314-H317 WeakPolarHBondContact O-CA 3.35Å; T314-H317 WeakPolarHBondContact O-CB 3.49Å; T314-H317 PolarHBondContact O-N 3.05Å; T314-H317 PolarHBondContact OG1-N 3.3Å; T314-H317 PolarHBondContact OG1-ND1 3.28Å; T314-C318 PolarHBondContact O-N 3.02Å; T314-C318 PolarHBondContact O-SG 2.91Å | ||
| 315 | P | 89.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.9 | -35.1 | 173.7 | -26.9 | 32.6 | 0 | 0 | 0 | 113.1 | L283 H284 C287 A305 A307 C318 A319 L338 | L283-P315 HydrophobicContact CB-CG 4.44Å; L283-P315 HydrophobicContact CD2-CB 4Å; L283-P315 HydrophobicContact CD2-CG 3.74Å; L283-P315 HydrophobicContact CG-CB 3.87Å; L283-P315 HydrophobicContact CG-CG 3.97Å; H284-P315 WeakPolarHBondContact NE2-CD 3.34Å; C287-P315 WeakPolarHBondContact CB-O 3.28Å; A305-P315 WeakPolarHBondContact O-CD 3.28Å; A307-P315 WeakPolarHBondContact O-CD 3.45Å; P315-C318 WeakPolarHBondContact O-CB 3.29Å; P315-C318 PolarHBondContact O-N 3.03Å; P315-A319 PolarHBondContact O-N 3.29Å; P315-L338 HydrophobicContact CB-CD2 4.11Å |
| 316 | L | 88.6 | Confident | 81 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.8 | -169 | 149.4 | 0 | 0 | 0 | 111.8 | T314 C318 A319 L320 L338 L339 A343 V346 | T314-L316 PolarHBondContact O-N 2.91Å; T314-L316 VanDerWaalsContact O-N 3.14Å; L316-C318 VanDerWaalsContact C-N 3.35Å; L316-A319 PolarHBondContact O-N 3.44Å; L316-L320 HydrophobicContact CD2-CD1 3.67Å; L316-L320 HydrophobicContact CD2-CG 4.37Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.1Å; L316-L320 VanDerWaalsContact O-N 3.15Å; L316-L338 HydrophobicContact CB-CD1 4.04Å; L316-L338 HydrophobicContact CD1-CB 4.49Å; L316-L338 HydrophobicContact CG-CD1 4.48Å; L316-L339 HydrophobicContact CD1-CD2 3.68Å; L316-L339 HydrophobicContact CD1-CG 3.96Å; L316-A343 HydrophobicContact CB-CB 4.41Å; L316-A343 HydrophobicContact CD1-CB 3.82Å; L316-V346 HydrophobicContact CD2-CG2 3.35Å |
| 317 | H | 86.9 | Confident | 79.4 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 171.8 | -64.3 | 160.6 | 0 | 0 | 0 | 111.5 | H313 T314 A319 L320 L321 | H313-H317 HydrophobicContact CB-CB 4.04Å; T314-H317 PolarHBondContact N-ND1 3.43Å; T314-H317 WeakPolarHBondContact O-CA 3.35Å; T314-H317 WeakPolarHBondContact O-CB 3.49Å; T314-H317 PolarHBondContact O-N 3.05Å; T314-H317 PolarHBondContact OG1-N 3.3Å; T314-H317 PolarHBondContact OG1-ND1 3.28Å; H317-A319 PolarHBondContact O-N 2.87Å; H317-L320 PolarHBondContact O-N 3.1Å; H317-L321 VanDerWaalsContact O-CB 3.3Å; H317-L321 WeakPolarHBondContact O-CB 3.42Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.45Å; H317-L321 PolarHBondContact O-N 3.01Å |
| 318 | C | 85.5 | Confident | 77.5 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 10% | 0.101 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.7 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | C287 R288 T314 P315 L316 L320 L321 G322 | C287-C318 HydrophobicContact CB-CB 4.42Å; R288-C318 HydrophobicContact CB-CB 4.46Å; T314-C318 PolarHBondContact O-N 3.02Å; T314-C318 PolarHBondContact O-SG 2.91Å; P315-C318 WeakPolarHBondContact O-CB 3.29Å; P315-C318 PolarHBondContact O-N 3.03Å; L316-C318 VanDerWaalsContact C-N 3.35Å; C318-L320 VanDerWaalsContact C-N 3.32Å; C318-L320 PolarHBondContact O-N 3.31Å; C318-L321 PolarHBondContact O-N 3.45Å; C318-G322 PolarHBondContact O-N 2.87Å |
| 319 | A | 84.9 | Confident | 75.8 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C287 P315 L316 H317 L327 I334 L338 W358 | C287-A319 HydrophobicContact CB-CB 4Å; C287-A319 WeakPolarHBondContact O-CA 3.13Å; P315-A319 PolarHBondContact O-N 3.29Å; L316-A319 PolarHBondContact O-N 3.44Å; H317-A319 PolarHBondContact O-N 2.87Å; A319-L327 WeakPolarHBondContact O-CD1 3.28Å; A319-I334 HydrophobicContact CB-CG2 3.96Å; A319-L338 HydrophobicContact CB-CD1 4.38Å; A319-W358 WeakPolarHBondContact O-CZ2 3.22Å |
| 320 | L | 83.2 | Confident | 74.7 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.6 | -24.6 | -179.7 | -64 | 176.7 | 0 | 0 | 0 | 113.7 | L316 H317 C318 V335 V346 V354 W358 T364 L368 | L316-L320 HydrophobicContact CD2-CD1 3.67Å; L316-L320 HydrophobicContact CD2-CG 4.37Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.1Å; L316-L320 VanDerWaalsContact O-N 3.15Å; H317-L320 PolarHBondContact O-N 3.1Å; C318-L320 VanDerWaalsContact C-N 3.32Å; C318-L320 PolarHBondContact O-N 3.31Å; L320-V335 HydrophobicContact CD2-CG2 4.17Å; L320-V346 HydrophobicContact CD1-CG2 3.63Å; L320-V354 HydrophobicContact CD1-CG1 4.44Å; L320-V354 HydrophobicContact CD1-CG2 4.09Å; L320-V354 HydrophobicContact CD2-CG1 4.27Å; L320-W358 PolarHBondContact O-NE1 3.39Å; L320-T364 HydrophobicContact CD2-CG2 4.4Å; L320-L368 HydrophobicContact CD1-CD1 4.33Å; L320-L368 HydrophobicContact CD2-CD1 4.08Å |
| 321 | L | 79.4 | Confident | 74.2 | Confident | 92 Ų | 92 | 40.5 Ų | 40.5 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -93.9 | -9.3 | 179 | -69.9 | 172.8 | 0 | 0 | 0 | 113.9 | H317 C318 R357 | H317-L321 VanDerWaalsContact O-CB 3.3Å; H317-L321 WeakPolarHBondContact O-CB 3.42Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.45Å; H317-L321 PolarHBondContact O-N 3.01Å; C318-L321 PolarHBondContact O-N 3.45Å; L321-R357 VanDerWaalsContact C-NH2 3.28Å; L321-R357 PolarHBondContact O-NH1 3.44Å; L321-R357 PolarHBondContact O-NH2 3.15Å |
| 322 | G | 70.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -63.7 | 159.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R288 C318 T324 R357 | R288-G322 WeakPolarHBondContact O-CA 3.32Å; C318-G322 PolarHBondContact O-N 2.87Å; G322-T324 PolarHBondContact O-N 2.71Å; G322-R357 PolarHBondContact O-NH2 3.27Å |
| 323 | P | 67.3 | Low | 73.7 | Confident | 56 Ų | 56 | 40.1 Ų | 40.1 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | trans | -60.1 | 128.2 | 178.1 | 23.3 | -31.2 | 0 | 0 | 0 | 110.9 | R288 T325 A326 L327 | R288-P323 WeakPolarHBondContact O-CD 3.19Å; P323-T325 PolarHBondContact O-N 2.84Å; P323-T325 VanDerWaalsContact O-N 3.11Å; P323-A326 HydrophobicContact CG-CB 3.89Å; P323-A326 PolarHBondContact O-N 3.4Å; P323-A326 VanDerWaalsContact O-N 3.13Å; P323-L327 PolarHBondContact O-N 3.46Å | ||
| 324 | T | 58.5 | Low | 73.6 | Confident | 77 Ų | 77 | 36.7 Ų | 36.7 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.4 | -178.9 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | G322 L327 A328 R357 | G322-T324 PolarHBondContact O-N 2.71Å; T324-L327 CarbonylContact O-C 3.57Å; T324-A328 PolarHBondContact O-N 3.04Å; T324-R357 HydrophobicContact CG2-CG 4.47Å |
| 325 | T | 56.7 | Low | 73.4 | Confident | 111 Ų | 111 | 36.2 Ų | 36.2 | 68% | 0.681 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -38.1 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | P323 A328 | P323-T325 PolarHBondContact O-N 2.84Å; P323-T325 VanDerWaalsContact O-N 3.11Å; T325-A328 WeakPolarHBondContact O-CB 3.39Å |
| 326 | A | 53.7 | Low | 73.2 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 22% | 0.223 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -75 | -33.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H289 P323 A328 | H289-A326 WeakPolarHBondContact O-CB 3.46Å; P323-A326 HydrophobicContact CG-CB 3.89Å; P323-A326 PolarHBondContact O-N 3.4Å; P323-A326 VanDerWaalsContact O-N 3.13Å; A326-A328 PolarHBondContact O-N 3.38Å |
| 327 | L | 54.5 | Low | 73.1 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -84.6 | 17.1 | 176.2 | -69.7 | 152.1 | 0 | 0 | 0 | 112.8 | A319 P323 T324 H329 P331 I334 W358 | A319-L327 WeakPolarHBondContact O-CD1 3.28Å; P323-L327 PolarHBondContact O-N 3.46Å; T324-L327 CarbonylContact O-C 3.57Å; L327-H329 PolarHBondContact O-N 2.9Å; L327-P331 HydrophobicContact CB-CB 4.17Å; L327-P331 HydrophobicContact CD2-CB 3.86Å; L327-P331 WeakPolarHBondContact O-CD 3.5Å; L327-I334 HydrophobicContact CD2-CD1 4.17Å; L327-W358 HydrophobicContact CB-CH2 3.68Å; L327-W358 HydrophobicContact CB-CZ3 4.22Å; L327-W358 HydrophobicContact CD1-CH2 3.55Å; L327-W358 HydrophobicContact CD1-CZ2 3.91Å; L327-W358 HydrophobicContact CD2-CH2 4.41Å; L327-W358 HydrophobicContact CG-CH2 4.05Å |
| 328 | A | 49.1 | Very low | 73.1 | Confident | 70 Ų | 70 | 36 Ų | 36 | 58% | 0.579 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -65.7 | -21.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T324 T325 A326 | T324-A328 PolarHBondContact O-N 3.04Å; T325-A328 WeakPolarHBondContact O-CB 3.39Å; A326-A328 PolarHBondContact O-N 3.38Å |
| 329 | H | 55.2 | Low | 73.1 | Confident | 110 Ų | 110 | 35.7 Ų | 35.7 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -102.8 | 84.2 | -179.7 | -63 | 82.1 | 0 | 0 | 0 | 110.3 | L327 | L327-H329 PolarHBondContact O-N 2.9Š|
| 330 | S | 67.5 | Low | 73.1 | Confident | 34 Ų | 34 | 36.3 Ų | 36.3 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | trans | 59.3 | 60.5 | 166.2 | 62.8 | 0 | 0 | 0 | 0 | 117.6 | E332 H333 | S330-E332 VanDerWaalsContact C-OE2 3.26Å; S330-E332 VanDerWaalsContact CA-CD 3.47Å; S330-E332 VanDerWaalsContact CA-OE2 3.26Å; S330-E332 WeakPolarHBondContact CA-OE2 3.45Å; S330-E332 WeakPolarHBondContact CB-OE1 3.37Å; S330-E332 PolarHBondContact O-N 2.99Å; S330-E332 VanDerWaalsContact O-N 3.13Å; S330-H333 VanDerWaalsContact CB-CD2 3.47Å; S330-H333 WeakPolarHBondContact CB-CD2 3.49Å; S330-H333 PolarHBondContact O-N 3.07Å; S330-H333 VanDerWaalsContact O-N 3.15Å; S330-H333 PolarHBondContact OG-CD2 3.33Å; S330-H333 VanDerWaalsContact OG-CD2 3.3Å | ||
| 331 | P | 75.8 | Confident | 73 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -24.1 | 176.2 | 27.2 | -34.8 | 0 | 0 | 0 | 112.7 | L327 H333 I334 V335 W358 | L327-P331 HydrophobicContact CB-CB 4.17Å; L327-P331 HydrophobicContact CD2-CB 3.86Å; L327-P331 WeakPolarHBondContact O-CD 3.5Å; P331-H333 PolarHBondContact O-N 3.4Å; P331-I334 PolarHBondContact O-N 3.28Å; P331-V335 PolarHBondContact O-N 3.15Å; P331-W358 HydrophobicContact CB-CH2 3.81Å; P331-W358 HydrophobicContact CB-CZ3 3.79Å; P331-W358 HydrophobicContact CG-CE3 4.26Å; P331-W358 HydrophobicContact CG-CH2 4.11Å; P331-W358 HydrophobicContact CG-CZ3 3.55Å |
| 332 | E | 78.8 | Confident | 73.2 | Confident | 23 Ų | 23 | 36 Ų | 36 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.3 | -32 | 176.8 | 62.6 | -89 | -162.6 | 0 | 0 | 113.1 | S330 R336 R363 F447 | S330-E332 VanDerWaalsContact C-OE2 3.26Å; S330-E332 VanDerWaalsContact CA-CD 3.47Å; S330-E332 VanDerWaalsContact CA-OE2 3.26Å; S330-E332 WeakPolarHBondContact CA-OE2 3.45Å; S330-E332 WeakPolarHBondContact CB-OE1 3.37Å; S330-E332 PolarHBondContact O-N 2.99Å; S330-E332 VanDerWaalsContact O-N 3.13Å; E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 3.39Å; E332-R363 HydrophobicContact CB-CB 4.08Å; E332-R363 HydrophobicContact CG-CB 4.15Å; E332-F447 HydrophobicContact CB-CE1 3.68Å; E332-F447 HydrophobicContact CB-CZ 3.5Å; E332-F447 VanDerWaalsContact CB-CZ 3.5Å; E332-F447 HydrophobicContact CG-CE1 3.82Å; E332-F447 HydrophobicContact CG-CE2 3.99Å; E332-F447 HydrophobicContact CG-CZ 3.27Å |
| 333 | H | 83.1 | Confident | 73.9 | Confident | 58 Ų | 58 | 36.3 Ų | 36.3 | 27% | 0.269 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.4 | -42.8 | 177.8 | -69.8 | -38.4 | 0 | 0 | 0 | 111.4 | S330 P331 R336 D337 | S330-H333 VanDerWaalsContact CB-CD2 3.47Å; S330-H333 WeakPolarHBondContact CB-CD2 3.49Å; S330-H333 PolarHBondContact O-N 3.07Å; S330-H333 VanDerWaalsContact O-N 3.15Å; S330-H333 PolarHBondContact OG-CD2 3.33Å; S330-H333 VanDerWaalsContact OG-CD2 3.3Å; P331-H333 PolarHBondContact O-N 3.4Å; H333-R336 PolarHBondContact ND1-NH2 3.45Å; H333-R336 PolarHBondContact O-N 3.4Å; H333-D337 WeakPolarHBondContact O-CB 3.28Å; H333-D337 PolarHBondContact O-N 3.37Å |
| 334 | I | 85.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 178.5 | -64 | 169.7 | 0 | 0 | 0 | 110.5 | C287 G290 V295 A319 L327 P331 R336 D337 L338 | C287-I334 HydrophobicContact CB-CG2 4.48Å; G290-I334 VanDerWaalsContact C-CD1 3.46Å; G290-I334 VanDerWaalsContact CA-CD1 3.42Å; V295-I334 HydrophobicContact CG1-CG2 4.36Å; V295-I334 HydrophobicContact CG2-CG1 4.43Å; V295-I334 HydrophobicContact CG2-CG2 4.24Å; A319-I334 HydrophobicContact CB-CG2 3.96Å; L327-I334 HydrophobicContact CD2-CD1 4.17Å; P331-I334 PolarHBondContact O-N 3.28Å; I334-R336 VanDerWaalsContact C-N 3.34Å; I334-R336 PolarHBondContact O-N 2.91Å; I334-D337 PolarHBondContact O-N 2.94Å; I334-L338 HydrophobicContact CG2-CD1 3.94Å; I334-L338 HydrophobicContact CG2-CG 4.39Å; I334-L338 WeakPolarHBondContact O-CB 3.3Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.21Å; I334-L338 PolarHBondContact O-N 3.43Å |
| 335 | V | 86.8 | Confident | 75.8 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 179.9 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L320 P331 L339 T364 V367 L368 | L320-V335 HydrophobicContact CD2-CG2 4.17Å; P331-V335 PolarHBondContact O-N 3.15Å; V335-L339 HydrophobicContact CG1-CD1 3.81Å; V335-L339 HydrophobicContact CG1-CG 4.48Å; V335-L339 WeakPolarHBondContact O-CB 3.01Å; V335-L339 WeakPolarHBondContact O-CD1 3.17Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 3.21Å; V335-T364 HydrophobicContact CB-CG2 4.46Å; V335-T364 HydrophobicContact CG2-CG2 3.91Å; V335-V367 HydrophobicContact CG1-CG1 4.02Å; V335-L368 HydrophobicContact CG1-CD2 3.63Å; V335-L368 HydrophobicContact CG1-CG 3.92Å |
| 336 | R | 86.1 | Confident | 77 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 15% | 0.151 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 175.7 | -179 | -179.1 | 66.6 | 175.6 | -4.2 | 111.4 | E332 H333 I334 L339 N340 V367 Q444 L445 D446 | E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 3.39Å; H333-R336 PolarHBondContact ND1-NH2 3.45Å; H333-R336 PolarHBondContact O-N 3.4Å; I334-R336 VanDerWaalsContact C-N 3.34Å; I334-R336 PolarHBondContact O-N 2.91Å; R336-L339 PolarHBondContact O-N 3.48Å; R336-N340 WeakPolarHBondContact O-CB 3.39Å; R336-N340 PolarHBondContact O-N 3.06Å; R336-N340 PolarHBondContact O-ND2 2.69Å; R336-V367 HydrophobicContact CB-CG1 4.07Å; R336-V367 HydrophobicContact CB-CG2 4.5Å; R336-Q444 WeakPolarHBondContact CD-O 3.27Å; R336-Q444 VanDerWaalsContact CG-O 3.29Å; R336-Q444 WeakPolarHBondContact CG-O 3.08Å; R336-L445 HydrophobicContact CG-CB 4.28Å; R336-D446 IonicContact CZ-OD1 3.9Å; R336-D446 IonicContact NH1-OD1 3.43Å; R336-D446 PolarHBondContact NH1-OD1 3.21Å |
| 337 | D | 85.2 | Confident | 78.2 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -49.8 | -177.9 | -65.5 | -19.5 | 0 | 0 | 0 | 110.3 | Q296 L299 H333 I334 L339 N340 Y341 | Q296-D337 WeakPolarHBondContact CG-OD2 3.23Å; Q296-D337 PolarHBondContact NE2-OD2 3.1Å; L299-D337 HydrophobicContact CD1-CB 4.12Å; H333-D337 WeakPolarHBondContact O-CB 3.28Å; H333-D337 PolarHBondContact O-N 3.37Å; I334-D337 PolarHBondContact O-N 2.94Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 3.27Å; D337-N340 WeakPolarHBondContact O-CB 3.34Å; D337-N340 PolarHBondContact O-N 2.84Å; D337-Y341 VanDerWaalsContact O-CD2 3.28Å; D337-Y341 WeakPolarHBondContact O-CD2 3.46Å; D337-Y341 PolarHBondContact O-N 3.33Å |
| 338 | L | 86.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.9 | -47.1 | 175.5 | -72.2 | 173.4 | 0 | 0 | 0 | 112.3 | L283 V295 L299 P315 L316 A319 I334 N340 Y341 G342 A343 | L283-L338 HydrophobicContact CD1-CD2 4.34Å; L283-L338 HydrophobicContact CD2-CD2 4.21Å; L283-L338 HydrophobicContact CG-CD2 4.44Å; V295-L338 HydrophobicContact CG1-CD2 4.47Å; L299-L338 HydrophobicContact CD1-CD2 4.3Å; L299-L338 HydrophobicContact CD2-CD2 4.4Å; P315-L338 HydrophobicContact CB-CD2 4.11Å; L316-L338 HydrophobicContact CB-CD1 4.04Å; L316-L338 HydrophobicContact CD1-CB 4.49Å; L316-L338 HydrophobicContact CG-CD1 4.48Å; A319-L338 HydrophobicContact CB-CD1 4.38Å; I334-L338 HydrophobicContact CG2-CD1 3.94Å; I334-L338 HydrophobicContact CG2-CG 4.39Å; I334-L338 WeakPolarHBondContact O-CB 3.3Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.21Å; I334-L338 PolarHBondContact O-N 3.43Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 3.35Å; L338-Y341 CarbonylContact O-C 3.57Å; L338-Y341 PolarHBondContact O-N 2.97Å; L338-G342 PolarHBondContact O-N 3.47Å; L338-A343 VanDerWaalsContact C-CB 3.46Å; L338-A343 HydrophobicContact CB-CB 3.86Å; L338-A343 WeakPolarHBondContact O-CB 3.29Å; L338-A343 PolarHBondContact O-N 2.83Å |
| 339 | L | 85.9 | Confident | 80.4 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -31.7 | 178.9 | -70.6 | 169.2 | 0 | 0 | 0 | 113 | L316 V335 R336 D337 Y341 G342 V367 L368 T371 R419 L445 | L316-L339 HydrophobicContact CD1-CD2 3.68Å; L316-L339 HydrophobicContact CD1-CG 3.96Å; V335-L339 HydrophobicContact CG1-CD1 3.81Å; V335-L339 HydrophobicContact CG1-CG 4.48Å; V335-L339 WeakPolarHBondContact O-CB 3.01Å; V335-L339 WeakPolarHBondContact O-CD1 3.17Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 3.21Å; R336-L339 PolarHBondContact O-N 3.48Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 3.27Å; L339-Y341 VanDerWaalsContact C-N 3.35Å; L339-G342 PolarHBondContact O-N 3.26Å; L339-V367 HydrophobicContact CD1-CG1 3.7Å; L339-L368 HydrophobicContact CD1-CD2 4.37Å; L339-T371 HydrophobicContact CD1-CG2 3.66Å; L339-T371 HydrophobicContact CD2-CG2 4.04Å; L339-T371 HydrophobicContact CG-CG2 4.3Å; L339-R419 PolarHBondContact O-NH2 2.91Å; L339-L445 HydrophobicContact CB-CD1 4.14Å; L339-L445 HydrophobicContact CD1-CD1 4.27Å |
| 340 | N | 84.3 | Confident | 81.5 | Confident | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.08 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.1 | -32.7 | 175 | -75.7 | -23 | 0 | 0 | 0 | 112.4 | R336 D337 L338 G342 R419 L426 Q444 | R336-N340 WeakPolarHBondContact O-CB 3.39Å; R336-N340 PolarHBondContact O-N 3.06Å; R336-N340 PolarHBondContact O-ND2 2.69Å; D337-N340 WeakPolarHBondContact O-CB 3.34Å; D337-N340 PolarHBondContact O-N 2.84Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 3.35Å; N340-G342 PolarHBondContact O-N 3Å; N340-R419 PolarHBondContact OD1-NH1 3.01Å; N340-R419 PolarHBondContact OD1-NH2 3.3Å; N340-L426 HydrophobicContact CB-CD2 3.98Å; N340-Q444 PolarHBondContact ND2-O 3.21Å; N340-Q444 PolarHBondContact OD1-O 3.35Å |
| 341 | Y | 82.6 | Confident | 82.1 | Confident | 83 Ų | 83 | 37.4 Ų | 37.4 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 8.2 | 173.2 | -76.3 | -96.9 | 0 | 0 | 0 | 113.5 | L299 D337 L338 L339 P427 | L299-Y341 HydrophobicContact CB-CD1 3.94Å; L299-Y341 HydrophobicContact CB-CD2 3.95Å; L299-Y341 HydrophobicContact CB-CE1 3.9Å; L299-Y341 HydrophobicContact CB-CE2 3.9Å; L299-Y341 HydrophobicContact CB-CG 3.96Å; L299-Y341 HydrophobicContact CD1-CD2 3.67Å; L299-Y341 HydrophobicContact CD1-CE2 4.12Å; L299-Y341 HydrophobicContact CD1-CG 4.06Å; L299-Y341 HydrophobicContact CD2-CD1 4.47Å; L299-Y341 HydrophobicContact CD2-CG 4.1Å; L299-Y341 HydrophobicContact CG-CD2 4.27Å; L299-Y341 HydrophobicContact CG-CG 4.26Å; L299-Y341 WeakPolarHBondContact O-CE1 3.37Å; D337-Y341 VanDerWaalsContact O-CD2 3.28Å; D337-Y341 WeakPolarHBondContact O-CD2 3.46Å; D337-Y341 PolarHBondContact O-N 3.33Å; L338-Y341 CarbonylContact O-C 3.57Å; L338-Y341 PolarHBondContact O-N 2.97Å; L339-Y341 VanDerWaalsContact C-N 3.35Å; Y341-P427 HydrophobicContact CD1-CG 3.83Å; Y341-P427 HydrophobicContact CD2-CG 4.29Å; Y341-P427 HydrophobicContact CE1-CB 4.18Å; Y341-P427 HydrophobicContact CE1-CG 3.83Å; Y341-P427 HydrophobicContact CE2-CG 4.32Å; Y341-P427 HydrophobicContact CG-CG 4.08Å |
| 342 | G | 82.1 | Confident | 82.3 | Confident | 13 Ų | 13 | 38 Ų | 38 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 29.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N306 L338 L339 N340 | N306-G342 PolarHBondContact ND2-O 3Å; L338-G342 PolarHBondContact O-N 3.47Å; L339-G342 PolarHBondContact O-N 3.26Å; N340-G342 PolarHBondContact O-N 3Å |
| 343 | A | 85.8 | Confident | 82.3 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 139.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A305 N306 L316 L338 R345 | A305-A343 HydrophobicContact CB-CB 4.32Å; N306-A343 WeakPolarHBondContact OD1-CA 3.36Å; L316-A343 HydrophobicContact CB-CB 4.41Å; L316-A343 HydrophobicContact CD1-CB 3.82Å; L338-A343 VanDerWaalsContact C-CB 3.46Å; L338-A343 HydrophobicContact CB-CB 3.86Å; L338-A343 WeakPolarHBondContact O-CB 3.29Å; L338-A343 PolarHBondContact O-N 2.83Å; A343-R345 PolarHBondContact O-N 3.41Å |
| 344 | V | 83.4 | Confident | 82.2 | Confident | 86 Ų | 86 | 42.9 Ų | 42.9 | 52% | 0.521 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 130.8 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | N306 | N306-V344 HydrophobicContact CB-CG2 4.4Å; N306-V344 WeakPolarHBondContact OD1-CG2 3.29Å; N306-V344 PolarHBondContact OD1-N 2.98Å |
| 345 | R | 82.4 | Confident | 81.9 | Confident | 104 Ų | 104 | 43 Ų | 43 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 148 | 177.6 | -66 | 174.8 | -76.5 | -93.8 | -3.1 | 110.8 | A343 Y372 | A343-R345 PolarHBondContact O-N 3.41Å; R345-Y372 HydrophobicContact CB-CE1 4.41Å |
| 346 | V | 82.3 | Confident | 81.6 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 145.7 | 174.2 | -175 | 0 | 0 | 0 | 0 | 109.7 | L316 L320 A350 L351 V354 L368 Y372 | L316-V346 HydrophobicContact CD2-CG2 3.35Å; L320-V346 HydrophobicContact CD1-CG2 3.63Å; V346-A350 HydrophobicContact CG1-CB 3.94Å; V346-L351 HydrophobicContact CB-CD2 4.44Å; V346-V354 HydrophobicContact CG1-CG2 4.45Å; V346-L368 HydrophobicContact CG2-CD2 4.13Å; V346-Y372 VanDerWaalsContact C-OH 3.26Å; V346-Y372 WeakPolarHBondContact CA-OH 3.43Å; V346-Y372 WeakPolarHBondContact CB-OH 3.42Å; V346-Y372 PolarHBondContact N-OH 3.35Å; V346-Y372 PolarHBondContact O-OH 3.27Å |
| 347 | W | 78.2 | Confident | 81.2 | Confident | 185 Ų | 185 | 49.9 Ų | 49.9 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -65.1 | 132.7 | 174.4 | -177.4 | 74.4 | 0 | 0 | 0 | 110.7 | G349 A350 | W347-G349 VanDerWaalsContact C-N 3.31Å; W347-G349 VanDerWaalsContact CE3-N 3.29Å; W347-G349 PolarHBondContact O-N 3.48Å; W347-G349 VanDerWaalsContact O-N 3.16Å; W347-A350 HydrophobicContact CE3-CB 4.25Å; W347-A350 VanDerWaalsContact CE3-N 3.28Å; W347-A350 WeakPolarHBondContact O-CB 3.49Å; W347-A350 PolarHBondContact O-N 2.84Å |
| 348 | P | 74.2 | Confident | 80.7 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -54.5 | -37.5 | -172.5 | -30.3 | 36 | 0 | 0 | 0 | 115.5 | A350 L351 Y372 | P348-A350 PolarHBondContact O-N 2.95Å; P348-L351 HydrophobicContact CB-CD1 4.41Å; P348-L351 WeakPolarHBondContact O-CB 3.47Å; P348-L351 WeakPolarHBondContact O-CD1 3.31Å; P348-L351 VanDerWaalsContact O-CG 3.23Å; P348-L351 WeakPolarHBondContact O-CG 3.36Å; P348-L351 PolarHBondContact O-N 3.4Å; P348-L351 VanDerWaalsContact O-N 3.16Å; P348-Y372 HydrophobicContact CG-CE1 4.29Å |
| 349 | G | 75.5 | Confident | 80 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -78.6 | -3.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | W347 P352 | W347-G349 VanDerWaalsContact C-N 3.31Å; W347-G349 VanDerWaalsContact CE3-N 3.29Å; W347-G349 PolarHBondContact O-N 3.48Å; W347-G349 VanDerWaalsContact O-N 3.16Å; G349-P352 WeakPolarHBondContact O-CD 3.4Å |
| 350 | A | 79.7 | Confident | 79.3 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -89.8 | -12.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V346 W347 P348 P352 K353 V354 | V346-A350 HydrophobicContact CG1-CB 3.94Å; W347-A350 HydrophobicContact CE3-CB 4.25Å; W347-A350 VanDerWaalsContact CE3-N 3.28Å; W347-A350 WeakPolarHBondContact O-CB 3.49Å; W347-A350 PolarHBondContact O-N 2.84Å; P348-A350 PolarHBondContact O-N 2.95Å; A350-P352 VanDerWaalsContact C-CD 3.43Å; A350-P352 VanDerWaalsContact C-N 3.35Å; A350-K353 PolarHBondContact O-N 2.89Å; A350-K353 VanDerWaalsContact O-N 3.14Å; A350-V354 PolarHBondContact O-N 2.77Å |
| 351 | L | 79.2 | Confident | 79 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.7 | -39 | 177 | -64.4 | 173.7 | 0 | 0 | 0 | 113.7 | V346 P348 K353 V354 L355 M369 Y372 L377 | V346-L351 HydrophobicContact CB-CD2 4.44Å; P348-L351 HydrophobicContact CB-CD1 4.41Å; P348-L351 WeakPolarHBondContact O-CB 3.47Å; P348-L351 WeakPolarHBondContact O-CD1 3.31Å; P348-L351 VanDerWaalsContact O-CG 3.23Å; P348-L351 WeakPolarHBondContact O-CG 3.36Å; P348-L351 PolarHBondContact O-N 3.4Å; P348-L351 VanDerWaalsContact O-N 3.16Å; L351-K353 VanDerWaalsContact C-N 3.32Å; L351-K353 PolarHBondContact O-N 3.34Å; L351-V354 PolarHBondContact O-N 3.31Å; L351-V354 VanDerWaalsContact O-N 3.17Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.27Å; L351-M369 HydrophobicContact CB-CE 4.33Å; L351-M369 HydrophobicContact CD1-CE 4.3Å; L351-M369 HydrophobicContact CD2-CE 3.9Å; L351-M369 HydrophobicContact CG-CE 4.41Å; L351-Y372 HydrophobicContact CD1-CE2 4.33Å; L351-Y372 HydrophobicContact CD2-CE2 4.01Å; L351-L377 HydrophobicContact CB-CD2 4.06Å |
| 352 | P | 79.3 | Confident | 78.8 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -39.2 | 176.4 | -24.8 | 35.8 | 0 | 0 | 0 | 113.2 | G349 A350 V354 L355 D356 P378 L384 | G349-P352 WeakPolarHBondContact O-CD 3.4Å; A350-P352 VanDerWaalsContact C-CD 3.43Å; A350-P352 VanDerWaalsContact C-N 3.35Å; P352-V354 VanDerWaalsContact C-N 3.32Å; P352-V354 PolarHBondContact O-N 2.86Å; P352-L355 PolarHBondContact O-N 3.47Å; P352-D356 PolarHBondContact O-N 3.38Å; P352-P378 HydrophobicContact CB-CG 4.39Å; P352-P378 HydrophobicContact CG-CG 3.66Å; P352-L384 HydrophobicContact CB-CD1 3.94Å |
| 353 | K | 80.3 | Confident | 78.6 | Confident | 167 Ų | 167 | 57.8 Ų | 57.8 | 73% | 0.726 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.5 | -35.3 | 176.9 | -64.4 | -176.4 | 177.6 | -178.1 | 0 | 112 | A350 L351 R357 | A350-K353 PolarHBondContact O-N 2.89Å; A350-K353 VanDerWaalsContact O-N 3.14Å; L351-K353 VanDerWaalsContact C-N 3.32Å; L351-K353 PolarHBondContact O-N 3.34Å; K353-R357 WeakPolarHBondContact O-CB 3.15Å; K353-R357 PolarHBondContact O-N 3.19Å |
| 354 | V | 80.4 | Confident | 78.4 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 175 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | L320 V346 A350 L351 P352 R357 W358 L368 | L320-V354 HydrophobicContact CD1-CG1 4.44Å; L320-V354 HydrophobicContact CD1-CG2 4.09Å; L320-V354 HydrophobicContact CD2-CG1 4.27Å; V346-V354 HydrophobicContact CG1-CG2 4.45Å; A350-V354 PolarHBondContact O-N 2.77Å; L351-V354 PolarHBondContact O-N 3.31Å; L351-V354 VanDerWaalsContact O-N 3.17Å; P352-V354 VanDerWaalsContact C-N 3.32Å; P352-V354 PolarHBondContact O-N 2.86Å; V354-R357 PolarHBondContact O-N 3.38Å; V354-W358 VanDerWaalsContact O-CB 3.29Å; V354-W358 WeakPolarHBondContact O-CB 3.44Å; V354-W358 PolarHBondContact O-N 2.94Å; V354-L368 HydrophobicContact CG1-CD1 3.67Å |
| 355 | L | 78.7 | Confident | 78.3 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 176.6 | -73.4 | 175.1 | 0 | 0 | 0 | 112.6 | L351 P352 C359 I365 M369 L377 A381 L400 | L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.27Å; P352-L355 PolarHBondContact O-N 3.47Å; L355-C359 WeakPolarHBondContact O-CA 3.4Å; L355-C359 WeakPolarHBondContact O-CB 3.35Å; L355-C359 PolarHBondContact O-N 3.13Å; L355-I365 HydrophobicContact CD2-CB 4.44Å; L355-I365 HydrophobicContact CD2-CD1 3.76Å; L355-I365 HydrophobicContact CD2-CG1 4.05Å; L355-I365 HydrophobicContact CD2-CG2 3.51Å; L355-M369 HydrophobicContact CD2-CE 4.21Å; L355-M369 HydrophobicContact CG-CE 4.48Å; L355-L377 HydrophobicContact CD1-CD1 3.95Å; L355-L377 HydrophobicContact CD1-CD2 3.48Å; L355-L377 VanDerWaalsContact CD1-CD2 3.48Å; L355-L377 HydrophobicContact CD1-CG 4.34Å; L355-A381 HydrophobicContact CD1-CB 4.36Å; L355-L400 HydrophobicContact CD2-CD1 4.46Å |
| 356 | D | 80 | Confident | 78.3 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 177.1 | -176.9 | 46.9 | 0 | 0 | 0 | 111.1 | P352 C359 L384 | P352-D356 PolarHBondContact O-N 3.38Å; D356-C359 PolarHBondContact O-SG 3.36Å; D356-L384 HydrophobicContact CB-CB 4.37Å |
| 357 | R | 78.1 | Confident | 78.3 | Confident | 97 Ų | 97 | 48.2 Ų | 48.2 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74 | -36.5 | -177 | -171.8 | 170.8 | -177.2 | 156.2 | -0.8 | 114.4 | L321 G322 T324 K353 V354 | L321-R357 VanDerWaalsContact C-NH2 3.28Å; L321-R357 PolarHBondContact O-NH1 3.44Å; L321-R357 PolarHBondContact O-NH2 3.15Å; G322-R357 PolarHBondContact O-NH2 3.27Å; T324-R357 HydrophobicContact CG2-CG 4.47Å; K353-R357 WeakPolarHBondContact O-CB 3.15Å; K353-R357 PolarHBondContact O-N 3.19Å; V354-R357 PolarHBondContact O-N 3.38Å |
| 358 | W | 74.9 | Confident | 78.5 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 19.1 | -173.5 | -65.7 | 97.5 | 0 | 0 | 0 | 113.4 | A319 L320 L327 P331 V354 M360 S361 I365 | A319-W358 WeakPolarHBondContact O-CZ2 3.22Å; L320-W358 PolarHBondContact O-NE1 3.39Å; L327-W358 HydrophobicContact CB-CH2 3.68Å; L327-W358 HydrophobicContact CB-CZ3 4.22Å; L327-W358 HydrophobicContact CD1-CH2 3.55Å; L327-W358 HydrophobicContact CD1-CZ2 3.91Å; L327-W358 HydrophobicContact CD2-CH2 4.41Å; L327-W358 HydrophobicContact CG-CH2 4.05Å; P331-W358 HydrophobicContact CB-CH2 3.81Å; P331-W358 HydrophobicContact CB-CZ3 3.79Å; P331-W358 HydrophobicContact CG-CE3 4.26Å; P331-W358 HydrophobicContact CG-CH2 4.11Å; P331-W358 HydrophobicContact CG-CZ3 3.55Å; V354-W358 VanDerWaalsContact O-CB 3.29Å; V354-W358 WeakPolarHBondContact O-CB 3.44Å; V354-W358 PolarHBondContact O-N 2.94Å; W358-M360 PolarHBondContact O-N 2.69Å; W358-M360 VanDerWaalsContact O-N 3.11Å; W358-S361 VanDerWaalsContact CE3-OG 3.27Å; W358-S361 CarbonylContact O-C 3.55Å; W358-S361 PolarHBondContact O-N 3.17Å; W358-S361 PolarHBondContact O-OG 3.38Å; W358-I365 HydrophobicContact CB-CG1 4.41Å; W358-I365 WeakPolarHBondContact O-CD1 3.45Å |
| 359 | C | 73.4 | Confident | 78.8 | Confident | 13 Ų | 13 | 36.8 Ų | 36.8 | 9% | 0.088 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.7 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 113 | L355 D356 S361 V385 I389 Y397 | L355-C359 WeakPolarHBondContact O-CA 3.4Å; L355-C359 WeakPolarHBondContact O-CB 3.35Å; L355-C359 PolarHBondContact O-N 3.13Å; D356-C359 PolarHBondContact O-SG 3.36Å; C359-S361 VanDerWaalsContact C-N 3.29Å; C359-S361 PolarHBondContact O-N 3.31Å; C359-V385 HydrophobicContact CB-CG1 4.31Å; C359-I389 HydrophobicContact CB-CD1 3.83Å; C359-I389 VanDerWaalsContact O-CG2 3.26Å; C359-I389 WeakPolarHBondContact O-CG2 3.42Å; C359-I389 WeakPolarHBondContact SG-CD1 3.43Å; C359-Y397 WeakPolarHBondContact CA-OH 3.38Å; C359-Y397 PolarHBondContact O-OH 3.42Å |
| 360 | M | 71.4 | Confident | 79.1 | Confident | 135 Ų | 135 | 35.2 Ų | 35.2 | 67% | 0.665 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.3 | 177.2 | -64.1 | -59.7 | -62 | 0 | 0 | 114.3 | W358 I389 | W358-M360 PolarHBondContact O-N 2.69Å; W358-M360 VanDerWaalsContact O-N 3.11Å; M360-I389 HydrophobicContact CG-CD1 4.16Å; M360-I389 HydrophobicContact SD-CD1 3.23Å; M360-I389 WeakPolarHBondContact SD-CD1 3.44Å; M360-I389 HydrophobicContact SD-CG1 3.74Å |
| 361 | S | 76.8 | Confident | 79.1 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | trans | -123.3 | 82.7 | -178.4 | 64.8 | 0 | 0 | 0 | 0 | 111 | W358 C359 R363 T364 | W358-S361 VanDerWaalsContact CE3-OG 3.27Å; W358-S361 CarbonylContact O-C 3.55Å; W358-S361 PolarHBondContact O-N 3.17Å; W358-S361 PolarHBondContact O-OG 3.38Å; C359-S361 VanDerWaalsContact C-N 3.29Å; C359-S361 PolarHBondContact O-N 3.31Å; S361-R363 PolarHBondContact O-N 3.47Å; S361-T364 PolarHBondContact O-N 3.21Å; S361-T364 PolarHBondContact OG-OG1 3.23Å | ||
| 362 | P | 77.8 | Confident | 79.1 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -30.5 | -178.2 | 24.3 | -34 | 0 | 0 | 0 | 112.5 | T364 I365 E366 F396 | P362-T364 PolarHBondContact O-N 2.54Å; P362-I365 WeakPolarHBondContact O-CB 3.49Å; P362-I365 PolarHBondContact O-N 3.48Å; P362-E366 PolarHBondContact O-N 3.11Å; P362-F396 HydrophobicContact CB-CD1 3.66Å; P362-F396 HydrophobicContact CB-CE1 3.81Å; P362-F396 HydrophobicContact CB-CG 4.04Å; P362-F396 HydrophobicContact CB-CZ 4.32Å; P362-F396 VanDerWaalsContact O-CZ 3.25Å; P362-F396 WeakPolarHBondContact O-CZ 3.34Å |
| 363 | R | 79.5 | Confident | 79 | Confident | 106 Ų | 106 | 41.4 Ų | 41.4 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.3 | -72.8 | -175.5 | 177.1 | 174.4 | -0.6 | 113.8 | E332 S361 I365 E366 V367 F447 D449 | E332-R363 HydrophobicContact CB-CB 4.08Å; E332-R363 HydrophobicContact CG-CB 4.15Å; S361-R363 PolarHBondContact O-N 3.47Å; R363-I365 VanDerWaalsContact C-N 3.31Å; R363-I365 PolarHBondContact O-N 3.41Å; R363-E366 WeakPolarHBondContact O-CB 3.34Å; R363-E366 PolarHBondContact O-N 3.25Å; R363-V367 WeakPolarHBondContact O-CG2 3.33Å; R363-V367 PolarHBondContact O-N 3.05Å; R363-V367 VanDerWaalsContact O-N 3.07Å; R363-F447 HydrophobicContact CB-CD1 3.63Å; R363-F447 HydrophobicContact CB-CE1 3.58Å; R363-F447 HydrophobicContact CB-CG 4.49Å; R363-F447 HydrophobicContact CB-CZ 4.43Å; R363-F447 HydrophobicContact CG-CD1 3.74Å; R363-F447 HydrophobicContact CG-CE1 4.17Å; R363-F447 HydrophobicContact CG-CG 4.2Å; R363-D449 IonicContact NE-OD1 3.76Å; R363-D449 PolarHBondContact NE-OD1 3.32Å; R363-D449 IonicContact NH2-OD2 2.71Å |
| 364 | T | 81.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 175.6 | -48.3 | 0 | 0 | 0 | 0 | 110.9 | L320 V335 S361 P362 L368 | L320-T364 HydrophobicContact CD2-CG2 4.4Å; V335-T364 HydrophobicContact CB-CG2 4.46Å; V335-T364 HydrophobicContact CG2-CG2 3.91Å; S361-T364 PolarHBondContact O-N 3.21Å; S361-T364 PolarHBondContact OG-OG1 3.23Å; P362-T364 PolarHBondContact O-N 2.54Å; T364-L368 WeakPolarHBondContact O-CG 3.41Å; T364-L368 PolarHBondContact O-N 2.71Å |
| 365 | I | 80.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.1 | -60.6 | 166.4 | 0 | 0 | 0 | 109.8 | L355 W358 P362 R363 V367 L368 M369 F396 Y397 L400 | L355-I365 HydrophobicContact CD2-CB 4.44Å; L355-I365 HydrophobicContact CD2-CD1 3.76Å; L355-I365 HydrophobicContact CD2-CG1 4.05Å; L355-I365 HydrophobicContact CD2-CG2 3.51Å; W358-I365 HydrophobicContact CB-CG1 4.41Å; W358-I365 WeakPolarHBondContact O-CD1 3.45Å; P362-I365 WeakPolarHBondContact O-CB 3.49Å; P362-I365 PolarHBondContact O-N 3.48Å; R363-I365 VanDerWaalsContact C-N 3.31Å; R363-I365 PolarHBondContact O-N 3.41Å; I365-V367 PolarHBondContact O-N 2.72Å; I365-L368 PolarHBondContact O-N 3.33Å; I365-M369 HydrophobicContact CG2-CE 4.09Å; I365-M369 HydrophobicContact CG2-CG 3.85Å; I365-M369 WeakPolarHBondContact O-CB 3.08Å; I365-M369 WeakPolarHBondContact O-CG 3.39Å; I365-M369 PolarHBondContact O-N 2.91Å; I365-F396 HydrophobicContact CB-CE1 4.23Å; I365-F396 HydrophobicContact CB-CZ 4Å; I365-F396 HydrophobicContact CG2-CE1 4.12Å; I365-F396 HydrophobicContact CG2-CZ 3.89Å; I365-Y397 HydrophobicContact CD1-CE1 4.39Å; I365-L400 HydrophobicContact CG2-CD1 3.6Å |
| 366 | E | 81.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55 | -51.4 | 178.1 | -167.1 | -171.5 | 154.5 | 0 | 0 | 111.4 | P362 R363 L368 M369 N370 F396 E448 D449 L451 | P362-E366 PolarHBondContact O-N 3.11Å; R363-E366 WeakPolarHBondContact O-CB 3.34Å; R363-E366 PolarHBondContact O-N 3.25Å; E366-L368 VanDerWaalsContact C-N 3.34Å; E366-L368 PolarHBondContact O-N 3.41Å; E366-M369 PolarHBondContact O-N 3.13Å; E366-N370 VanDerWaalsContact O-CB 3.25Å; E366-N370 WeakPolarHBondContact O-CB 3.5Å; E366-N370 VanDerWaalsContact O-CG 3.23Å; E366-N370 PolarHBondContact O-N 3.09Å; E366-N370 PolarHBondContact O-ND2 3.02Å; E366-F396 HydrophobicContact CB-CE2 3.69Å; E366-F396 HydrophobicContact CB-CZ 4.17Å; E366-F396 HydrophobicContact CG-CE2 4.02Å; E366-E448 PolarHBondContact OE1-N 2.89Å; E366-D449 PolarHBondContact OE2-N 3.16Å; E366-L451 HydrophobicContact CB-CD2 4.36Å; E366-L451 HydrophobicContact CG-CD2 3.56Å; E366-L451 HydrophobicContact CG-CG 4.03Å |
| 367 | V | 81.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | -179.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | V335 R336 L339 R363 I365 N370 L445 F447 | V335-V367 HydrophobicContact CG1-CG1 4.02Å; R336-V367 HydrophobicContact CB-CG1 4.07Å; R336-V367 HydrophobicContact CB-CG2 4.5Å; L339-V367 HydrophobicContact CD1-CG1 3.7Å; R363-V367 WeakPolarHBondContact O-CG2 3.33Å; R363-V367 PolarHBondContact O-N 3.05Å; R363-V367 VanDerWaalsContact O-N 3.07Å; I365-V367 PolarHBondContact O-N 2.72Å; V367-N370 PolarHBondContact O-N 3.4Å; V367-L445 HydrophobicContact CG1-CB 4.41Å; V367-L445 HydrophobicContact CG1-CD1 4.12Å; V367-F447 HydrophobicContact CG2-CD1 4.09Å; V367-F447 HydrophobicContact CG2-CE1 3.37Å; V367-F447 HydrophobicContact CG2-CZ 4.05Å |
| 368 | L | 82.9 | Confident | 77.2 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -51.2 | 177.1 | -71.5 | 171.6 | 0 | 0 | 0 | 111.4 | L320 V335 L339 V346 V354 T364 I365 E366 N370 T371 Y372 | L320-L368 HydrophobicContact CD1-CD1 4.33Å; L320-L368 HydrophobicContact CD2-CD1 4.08Å; V335-L368 HydrophobicContact CG1-CD2 3.63Å; V335-L368 HydrophobicContact CG1-CG 3.92Å; L339-L368 HydrophobicContact CD1-CD2 4.37Å; V346-L368 HydrophobicContact CG2-CD2 4.13Å; V354-L368 HydrophobicContact CG1-CD1 3.67Å; T364-L368 WeakPolarHBondContact O-CG 3.41Å; T364-L368 PolarHBondContact O-N 2.71Å; I365-L368 PolarHBondContact O-N 3.33Å; E366-L368 VanDerWaalsContact C-N 3.34Å; E366-L368 PolarHBondContact O-N 3.41Å; L368-N370 PolarHBondContact O-N 2.92Å; L368-T371 PolarHBondContact O-N 2.97Å; L368-T371 PolarHBondContact O-OG1 3.38Å; L368-Y372 WeakPolarHBondContact O-CD2 3.11Å; L368-Y372 VanDerWaalsContact O-CE2 3.28Å; L368-Y372 WeakPolarHBondContact O-CE2 3.48Å |
| 369 | M | 81.4 | Confident | 76.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -30.2 | -178.6 | -66.5 | -58.3 | 154.1 | 0 | 0 | 111.6 | L351 L355 I365 E366 T371 Y372 V375 L400 R408 L451 | L351-M369 HydrophobicContact CB-CE 4.33Å; L351-M369 HydrophobicContact CD1-CE 4.3Å; L351-M369 HydrophobicContact CD2-CE 3.9Å; L351-M369 HydrophobicContact CG-CE 4.41Å; L355-M369 HydrophobicContact CD2-CE 4.21Å; L355-M369 HydrophobicContact CG-CE 4.48Å; I365-M369 HydrophobicContact CG2-CE 4.09Å; I365-M369 HydrophobicContact CG2-CG 3.85Å; I365-M369 WeakPolarHBondContact O-CB 3.08Å; I365-M369 WeakPolarHBondContact O-CG 3.39Å; I365-M369 PolarHBondContact O-N 2.91Å; E366-M369 PolarHBondContact O-N 3.13Å; M369-T371 PolarHBondContact O-N 3.2Å; M369-Y372 PolarHBondContact O-N 3.46Å; M369-V375 HydrophobicContact SD-CG1 3.78Å; M369-V375 HydrophobicContact SD-CG2 4.05Å; M369-L400 HydrophobicContact CG-CD1 4.07Å; M369-R408 PolarHBondContact O-NH2 3.13Å; M369-L451 HydrophobicContact CB-CD1 4.17Å; M369-L451 HydrophobicContact CB-CD2 4.24Å |
| 370 | N | 81.2 | Confident | 76.4 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -8.7 | 177.3 | -82.1 | -26 | 0 | 0 | 0 | 114.2 | E366 V367 L368 H412 L445 L451 | E366-N370 VanDerWaalsContact O-CB 3.25Å; E366-N370 WeakPolarHBondContact O-CB 3.5Å; E366-N370 VanDerWaalsContact O-CG 3.23Å; E366-N370 PolarHBondContact O-N 3.09Å; E366-N370 PolarHBondContact O-ND2 3.02Å; V367-N370 PolarHBondContact O-N 3.4Å; L368-N370 PolarHBondContact O-N 2.92Å; N370-H412 PolarHBondContact O-CE1 3.37Å; N370-H412 VanDerWaalsContact O-CE1 3.28Å; N370-L445 HydrophobicContact CB-CD2 3.87Å; N370-L451 VanDerWaalsContact OD1-CD2 3.23Å; N370-L451 WeakPolarHBondContact OD1-CD2 3.4Å |
| 371 | T | 78.6 | Confident | 76.1 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11.2 | 175.5 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | L339 L368 M369 W416 L445 | L339-T371 HydrophobicContact CD1-CG2 3.66Å; L339-T371 HydrophobicContact CD2-CG2 4.04Å; L339-T371 HydrophobicContact CG-CG2 4.3Å; L368-T371 PolarHBondContact O-N 2.97Å; L368-T371 PolarHBondContact O-OG1 3.38Å; M369-T371 PolarHBondContact O-N 3.2Å; T371-W416 PolarHBondContact O-NE1 3.49Å; T371-L445 HydrophobicContact CG2-CD1 4.11Å |
| 372 | Y | 79.3 | Confident | 75.6 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | trans | -100.6 | 131.7 | -177.2 | -62.9 | -88.6 | 0 | 0 | 0 | 111.7 | R345 V346 P348 L351 L368 M369 H412 | R345-Y372 HydrophobicContact CB-CE1 4.41Å; V346-Y372 VanDerWaalsContact C-OH 3.26Å; V346-Y372 WeakPolarHBondContact CA-OH 3.43Å; V346-Y372 WeakPolarHBondContact CB-OH 3.42Å; V346-Y372 PolarHBondContact N-OH 3.35Å; V346-Y372 PolarHBondContact O-OH 3.27Å; P348-Y372 HydrophobicContact CG-CE1 4.29Å; L351-Y372 HydrophobicContact CD1-CE2 4.33Å; L351-Y372 HydrophobicContact CD2-CE2 4.01Å; L368-Y372 WeakPolarHBondContact O-CD2 3.11Å; L368-Y372 VanDerWaalsContact O-CE2 3.28Å; L368-Y372 WeakPolarHBondContact O-CE2 3.48Å; M369-Y372 PolarHBondContact O-N 3.46Å; Y372-H412 PolarHBondContact O-NE2 2.94Å | ||
| 373 | R | 77.9 | Confident | 75.1 | Confident | 154 Ų | 154 | 50.9 Ų | 50.9 | 58% | 0.581 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -65.9 | -38.9 | 171.3 | -178.2 | -179.2 | 170.3 | -176.8 | -2 | 112.3 | L413 W416 | R373-L413 HydrophobicContact CG-CD2 4.15Å; R373-W416 HydrophobicContact CB-CD2 4.14Å; R373-W416 HydrophobicContact CB-CG 4.47Å; R373-W416 HydrophobicContact CB-CZ2 4.19Å |
| 374 | V | 75.5 | Confident | 74.8 | Confident | 97 Ų | 97 | 48.7 Ų | 48.7 | 59% | 0.588 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -133 | 126.6 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | Q376 | V374-Q376 HydrophobicContact CG1-CG 4.2Š|
| 375 | V | 72.3 | Confident | 74.4 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | trans | -101.7 | 111.2 | 177 | 176.1 | 0 | 0 | 0 | 0 | 107.9 | M369 L377 | M369-V375 HydrophobicContact SD-CG1 3.78Å; M369-V375 HydrophobicContact SD-CG2 4.05Å; V375-L377 HydrophobicContact CG1-CD1 3.85Å; V375-L377 HydrophobicContact CG1-CG 3.76Å | ||
| 376 | Q | 68.8 | Low | 74.3 | Confident | 151 Ų | 151 | 51.4 Ų | 51.4 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | trans | -104 | 104.5 | 172.3 | -67.3 | -176.3 | -7.8 | 0 | 0 | 108 | V374 | V374-Q376 HydrophobicContact CG1-CG 4.2Š| ||
| 377 | L | 71.3 | Confident | 73.8 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | trans | -107.1 | 133.9 | 172.9 | -70.3 | 167.9 | 0 | 0 | 0 | 108.7 | L351 L355 V375 A381 L400 V404 | L351-L377 HydrophobicContact CB-CD2 4.06Å; L355-L377 HydrophobicContact CD1-CD1 3.95Å; L355-L377 HydrophobicContact CD1-CD2 3.48Å; L355-L377 VanDerWaalsContact CD1-CD2 3.48Å; L355-L377 HydrophobicContact CD1-CG 4.34Å; V375-L377 HydrophobicContact CG1-CD1 3.85Å; V375-L377 HydrophobicContact CG1-CG 3.76Å; L377-A381 HydrophobicContact CB-CB 4.32Å; L377-L400 HydrophobicContact CD1-CD2 3.5Å; L377-L400 VanDerWaalsContact CD1-CD2 3.5Å; L377-L400 HydrophobicContact CD1-CG 4.29Å; L377-V404 HydrophobicContact CB-CG2 4.11Å | ||
| 378 | P | 71.5 | Confident | 73.6 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | trans | -62.1 | 148.6 | 173.3 | 26 | -31.4 | 0 | 0 | 0 | 110 | P352 E380 A381 | P352-P378 HydrophobicContact CB-CG 4.39Å; P352-P378 HydrophobicContact CG-CG 3.66Å; P378-E380 PolarHBondContact O-N 2.82Å; P378-E380 VanDerWaalsContact O-N 3.13Å; P378-A381 HydrophobicContact CG-CB 4.41Å; P378-A381 WeakPolarHBondContact O-CB 3.49Å; P378-A381 PolarHBondContact O-N 3.4Å | ||
| 379 | E | 66.2 | Low | 73.2 | Confident | 115 Ų | 115 | 62.9 Ų | 62.9 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -59.4 | -26.2 | 179.5 | -72.8 | -68.7 | 163.6 | 0 | 0 | 112.5 | A381 K382 | E379-A381 PolarHBondContact O-N 3.12Å; E379-K382 PolarHBondContact O-N 3.36Å; E379-K382 IonicContact OE2-NZ 3.84Å; E379-K382 PolarHBondContact OE2-NZ 2.71Å |
| 380 | E | 65.4 | Low | 72.9 | Confident | 163 Ų | 163 | 65.2 Ų | 65.2 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61 | -21.9 | 172.8 | -63.4 | 174.1 | -173.1 | 0 | 0 | 113.2 | P378 K382 G383 | P378-E380 PolarHBondContact O-N 2.82Å; P378-E380 VanDerWaalsContact O-N 3.13Å; E380-K382 PolarHBondContact O-N 3.02Å; E380-K382 VanDerWaalsContact O-N 3.17Å; E380-G383 PolarHBondContact O-N 2.93Å |
| 381 | A | 66.3 | Low | 72.6 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -64.7 | -20.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L355 L377 P378 E379 G383 L384 | L355-A381 HydrophobicContact CD1-CB 4.36Å; L377-A381 HydrophobicContact CB-CB 4.32Å; P378-A381 HydrophobicContact CG-CB 4.41Å; P378-A381 WeakPolarHBondContact O-CB 3.49Å; P378-A381 PolarHBondContact O-N 3.4Å; E379-A381 PolarHBondContact O-N 3.12Å; A381-G383 VanDerWaalsContact C-N 3.3Å; A381-L384 HydrophobicContact CB-CD1 4.49Å; A381-L384 PolarHBondContact O-N 3.38Å |
| 382 | K | 65.4 | Low | 72.6 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -69 | -29.3 | 173.4 | -69.5 | 173.7 | -177.2 | 151.5 | 0 | 112.7 | E379 E380 F401 | E379-K382 PolarHBondContact O-N 3.36Å; E379-K382 IonicContact OE2-NZ 3.84Å; E379-K382 PolarHBondContact OE2-NZ 2.71Å; E380-K382 PolarHBondContact O-N 3.02Å; E380-K382 VanDerWaalsContact O-N 3.17Å; K382-F401 HydrophobicContact CB-CE1 4.47Å; K382-F401 HydrophobicContact CB-CZ 4.33Å; K382-F401 HydrophobicContact CG-CD1 3.82Å; K382-F401 HydrophobicContact CG-CD2 4.28Å; K382-F401 HydrophobicContact CG-CE1 3.67Å; K382-F401 HydrophobicContact CG-CE2 4.14Å; K382-F401 HydrophobicContact CG-CG 4.14Å; K382-F401 HydrophobicContact CG-CZ 3.85Å |
| 383 | G | 66.6 | Low | 72.5 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 74% | 0.742 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E380 A381 | E380-G383 PolarHBondContact O-N 2.93Å; A381-G383 VanDerWaalsContact C-N 3.3Å |
| 384 | L | 73.5 | Confident | 72.3 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -78.4 | -19.5 | -179.6 | -63.1 | 176.5 | 0 | 0 | 0 | 113.1 | P352 D356 A381 P386 | P352-L384 HydrophobicContact CB-CD1 3.94Å; D356-L384 HydrophobicContact CB-CB 4.37Å; A381-L384 HydrophobicContact CB-CD1 4.49Å; A381-L384 PolarHBondContact O-N 3.38Å; L384-P386 WeakPolarHBondContact O-CD 3.43Å |
| 385 | V | 74.1 | Confident | 72.3 | Confident | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.036 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -96.3 | 120.3 | -179.5 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | C359 I389 L390 Y397 | C359-V385 HydrophobicContact CB-CG1 4.31Å; V385-I389 HydrophobicContact CG1-CB 4.14Å; V385-I389 HydrophobicContact CG1-CG2 4.14Å; V385-L390 HydrophobicContact CB-CD1 4.46Å; V385-L390 HydrophobicContact CB-CD2 4.07Å; V385-L390 HydrophobicContact CB-CG 4.12Å; V385-L390 HydrophobicContact CG1-CD2 3.79Å; V385-L390 HydrophobicContact CG1-CG 3.77Å; V385-Y397 HydrophobicContact CG1-CE1 4.18Å; V385-Y397 HydrophobicContact CG1-CE2 4.35Å; V385-Y397 HydrophobicContact CG2-CD1 4.36Å; V385-Y397 HydrophobicContact CG2-CE1 3.98Å |
| 386 | P | 77.4 | Confident | 72.7 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 34% | 0.344 | 41% | 0.409 | S | S | . | . | trans | -52.5 | 140.1 | 175.2 | -26.5 | 30.1 | 0 | 0 | 0 | 112.6 | L384 E388 I389 L390 | L384-P386 WeakPolarHBondContact O-CD 3.43Å; P386-E388 PolarHBondContact O-N 3.49Å; P386-E388 VanDerWaalsContact O-N 3.15Å; P386-I389 HydrophobicContact CB-CD1 4.13Å; P386-I389 HydrophobicContact CB-CG1 4.23Å; P386-I389 HydrophobicContact CG-CD1 3.82Å; P386-I389 HydrophobicContact CG-CG1 4.46Å; P386-I389 PolarHBondContact O-N 2.9Å; P386-L390 PolarHBondContact O-N 2.98Å | ||
| 387 | P | 72.4 | Confident | 73.1 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.4 | -28.2 | -177.3 | 24.5 | -33.8 | 0 | 0 | 0 | 113 | I389 L390 Q391 | P387-I389 VanDerWaalsContact C-N 3.35Å; P387-I389 PolarHBondContact O-N 3.23Å; P387-L390 PolarHBondContact O-N 3.41Å; P387-Q391 WeakPolarHBondContact O-CG 3.47Å; P387-Q391 PolarHBondContact O-N 3.3Å; P387-Q391 VanDerWaalsContact O-N 3.08Å |
| 388 | E | 76.8 | Confident | 73.4 | Confident | 140 Ų | 140 | 71.6 Ų | 71.6 | 65% | 0.654 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.2 | -37.3 | 176.1 | -61 | 178.9 | -172.2 | 0 | 0 | 112.8 | P386 K392 | P386-E388 PolarHBondContact O-N 3.49Å; P386-E388 VanDerWaalsContact O-N 3.15Å; E388-K392 WeakPolarHBondContact O-CG 3.25Å; E388-K392 PolarHBondContact O-N 3.27Å |
| 389 | I | 75.3 | Confident | 73.7 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.062 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -76.7 | -38.7 | 179.3 | -59.2 | 175.5 | 0 | 0 | 0 | 110 | C359 M360 V385 P386 P387 Q391 K392 H393 Y397 | C359-I389 HydrophobicContact CB-CD1 3.83Å; C359-I389 VanDerWaalsContact O-CG2 3.26Å; C359-I389 WeakPolarHBondContact O-CG2 3.42Å; C359-I389 WeakPolarHBondContact SG-CD1 3.43Å; M360-I389 HydrophobicContact CG-CD1 4.16Å; M360-I389 HydrophobicContact SD-CD1 3.23Å; M360-I389 WeakPolarHBondContact SD-CD1 3.44Å; M360-I389 HydrophobicContact SD-CG1 3.74Å; V385-I389 HydrophobicContact CG1-CB 4.14Å; V385-I389 HydrophobicContact CG1-CG2 4.14Å; P386-I389 HydrophobicContact CB-CD1 4.13Å; P386-I389 HydrophobicContact CB-CG1 4.23Å; P386-I389 HydrophobicContact CG-CD1 3.82Å; P386-I389 HydrophobicContact CG-CG1 4.46Å; P386-I389 PolarHBondContact O-N 2.9Å; P387-I389 VanDerWaalsContact C-N 3.35Å; P387-I389 PolarHBondContact O-N 3.23Å; I389-Q391 PolarHBondContact O-N 3.32Å; I389-K392 PolarHBondContact O-N 3.19Å; I389-H393 PolarHBondContact O-N 3.02Å; I389-Y397 HydrophobicContact CG2-CE2 3.78Å |
| 390 | L | 75.8 | Confident | 74.3 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.4 | -36.2 | 174 | -70.8 | 174.1 | 0 | 0 | 0 | 111.8 | V385 P386 P387 C394 Y397 F401 | V385-L390 HydrophobicContact CB-CD1 4.46Å; V385-L390 HydrophobicContact CB-CD2 4.07Å; V385-L390 HydrophobicContact CB-CG 4.12Å; V385-L390 HydrophobicContact CG1-CD2 3.79Å; V385-L390 HydrophobicContact CG1-CG 3.77Å; P386-L390 PolarHBondContact O-N 2.98Å; P387-L390 PolarHBondContact O-N 3.41Å; L390-C394 WeakPolarHBondContact O-CA 3.28Å; L390-C394 VanDerWaalsContact O-CB 3.27Å; L390-C394 WeakPolarHBondContact O-CB 3.26Å; L390-C394 PolarHBondContact O-N 3.28Å; L390-C394 VanDerWaalsContact O-N 3.1Å; L390-Y397 HydrophobicContact CD2-CD1 4.3Å; L390-Y397 HydrophobicContact CD2-CD2 4.12Å; L390-Y397 HydrophobicContact CD2-CG 3.76Å; L390-F401 HydrophobicContact CD2-CE2 4.13Å |
| 391 | Q | 74.8 | Confident | 75 | Confident | 158 Ų | 158 | 58.5 Ų | 58.5 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -70.6 | -41.6 | 174.4 | -73.6 | 178.7 | 5 | 0 | 0 | 112.3 | P387 I389 | P387-Q391 WeakPolarHBondContact O-CG 3.47Å; P387-Q391 PolarHBondContact O-N 3.3Å; P387-Q391 VanDerWaalsContact O-N 3.08Å; I389-Q391 PolarHBondContact O-N 3.32Å |
| 392 | K | 78.1 | Confident | 75.5 | Confident | 153 Ų | 153 | 60.3 Ų | 60.3 | 67% | 0.665 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.6 | -38.4 | 179.1 | -74.1 | 176.3 | -179.7 | 175.7 | 0 | 113.3 | E388 I389 | E388-K392 WeakPolarHBondContact O-CG 3.25Å; E388-K392 PolarHBondContact O-N 3.27Å; I389-K392 PolarHBondContact O-N 3.19Å |
| 393 | H | 76.1 | Confident | 76 | Confident | 79 Ų | 79 | 57 Ų | 57 | 37% | 0.366 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 45.4 | -176.6 | -63.6 | -69.8 | 0 | 0 | 0 | 112.2 | I389 G395 F396 Y397 | I389-H393 PolarHBondContact O-N 3.02Å; H393-G395 VanDerWaalsContact C-N 3.33Å; H393-G395 PolarHBondContact O-N 3.18Å; H393-F396 PolarHBondContact O-N 2.85Å; H393-Y397 HydrophobicContact CB-CD2 3.92Å; H393-Y397 HydrophobicContact CB-CE2 3.99Å; H393-Y397 WeakPolarHBondContact O-CD2 3.22Å; H393-Y397 PolarHBondContact O-N 3.19Å |
| 394 | C | 74.8 | Confident | 76.2 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.9 | -39.6 | -173.1 | 63 | 0 | 0 | 0 | 0 | 113.5 | L390 S398 | L390-C394 WeakPolarHBondContact O-CA 3.28Å; L390-C394 VanDerWaalsContact O-CB 3.27Å; L390-C394 WeakPolarHBondContact O-CB 3.26Å; L390-C394 PolarHBondContact O-N 3.28Å; L390-C394 VanDerWaalsContact O-N 3.1Å; C394-S398 WeakPolarHBondContact O-CB 3.29Å; C394-S398 PolarHBondContact O-N 3.07Å; C394-S398 PolarHBondContact O-OG 3.21Å |
| 395 | G | 74.9 | Confident | 76.1 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | H393 S398 S399 | H393-G395 VanDerWaalsContact C-N 3.33Å; H393-G395 PolarHBondContact O-N 3.18Å; G395-S398 PolarHBondContact O-OG 3.24Å; G395-S399 VanDerWaalsContact O-CB 3.32Å; G395-S399 WeakPolarHBondContact O-CB 3.48Å; G395-S399 PolarHBondContact O-N 3.44Å |
| 396 | F | 80.8 | Confident | 76.1 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 4% | 0.044 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67 | -51.8 | -179.7 | 175.1 | -98.6 | 0 | 0 | 0 | 112 | P362 I365 E366 H393 S398 S399 L400 L451 | P362-F396 HydrophobicContact CB-CD1 3.66Å; P362-F396 HydrophobicContact CB-CE1 3.81Å; P362-F396 HydrophobicContact CB-CG 4.04Å; P362-F396 HydrophobicContact CB-CZ 4.32Å; P362-F396 VanDerWaalsContact O-CZ 3.25Å; P362-F396 WeakPolarHBondContact O-CZ 3.34Å; I365-F396 HydrophobicContact CB-CE1 4.23Å; I365-F396 HydrophobicContact CB-CZ 4Å; I365-F396 HydrophobicContact CG2-CE1 4.12Å; I365-F396 HydrophobicContact CG2-CZ 3.89Å; E366-F396 HydrophobicContact CB-CE2 3.69Å; E366-F396 HydrophobicContact CB-CZ 4.17Å; E366-F396 HydrophobicContact CG-CE2 4.02Å; H393-F396 PolarHBondContact O-N 2.85Å; F396-S398 PolarHBondContact O-N 3.42Å; F396-S399 WeakPolarHBondContact O-CB 3.23Å; F396-S399 PolarHBondContact O-N 3.27Å; F396-L400 HydrophobicContact CE1-CD1 3.99Å; F396-L400 HydrophobicContact CZ-CD1 4.02Å; F396-L400 WeakPolarHBondContact O-CB 3.39Å; F396-L400 PolarHBondContact O-N 2.84Å; F396-L451 HydrophobicContact CD2-CD1 4.2Å; F396-L451 HydrophobicContact CD2-CG 4.32Å; F396-L451 HydrophobicContact CE2-CD1 3.39Å; F396-L451 HydrophobicContact CE2-CG 3.71Å; F396-L451 HydrophobicContact CZ-CD1 3.66Å; F396-L451 HydrophobicContact CZ-CG 4.45Å |
| 397 | Y | 78.5 | Confident | 75.9 | Confident | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.4 | -34 | -176.2 | -76 | -72.5 | 0 | 0 | 0 | 112.7 | C359 I365 V385 I389 L390 H393 L400 F401 | C359-Y397 WeakPolarHBondContact CA-OH 3.38Å; C359-Y397 PolarHBondContact O-OH 3.42Å; I365-Y397 HydrophobicContact CD1-CE1 4.39Å; V385-Y397 HydrophobicContact CG1-CE1 4.18Å; V385-Y397 HydrophobicContact CG1-CE2 4.35Å; V385-Y397 HydrophobicContact CG2-CD1 4.36Å; V385-Y397 HydrophobicContact CG2-CE1 3.98Å; I389-Y397 HydrophobicContact CG2-CE2 3.78Å; L390-Y397 HydrophobicContact CD2-CD1 4.3Å; L390-Y397 HydrophobicContact CD2-CD2 4.12Å; L390-Y397 HydrophobicContact CD2-CG 3.76Å; H393-Y397 HydrophobicContact CB-CD2 3.92Å; H393-Y397 HydrophobicContact CB-CE2 3.99Å; H393-Y397 WeakPolarHBondContact O-CD2 3.22Å; H393-Y397 PolarHBondContact O-N 3.19Å; Y397-L400 PolarHBondContact O-N 3.32Å; Y397-F401 WeakPolarHBondContact O-CD2 3.39Å; Y397-F401 WeakPolarHBondContact O-CG 3.2Å; Y397-F401 PolarHBondContact O-N 3.16Å |
| 398 | S | 76.3 | Confident | 76.3 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 51% | 0.51 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 173.5 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | C394 G395 F396 F401 A402 | C394-S398 WeakPolarHBondContact O-CB 3.29Å; C394-S398 PolarHBondContact O-N 3.07Å; C394-S398 PolarHBondContact O-OG 3.21Å; G395-S398 PolarHBondContact O-OG 3.24Å; F396-S398 PolarHBondContact O-N 3.42Å; S398-F401 PolarHBondContact O-N 3.43Å; S398-A402 WeakPolarHBondContact O-CB 3.46Å; S398-A402 PolarHBondContact O-N 2.88Å |
| 399 | S | 78.5 | Confident | 76.6 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 171.9 | 160.4 | 0 | 0 | 0 | 0 | 111.6 | G395 F396 F401 A402 L403 L451 | G395-S399 VanDerWaalsContact O-CB 3.32Å; G395-S399 WeakPolarHBondContact O-CB 3.48Å; G395-S399 PolarHBondContact O-N 3.44Å; F396-S399 WeakPolarHBondContact O-CB 3.23Å; F396-S399 PolarHBondContact O-N 3.27Å; S399-F401 PolarHBondContact O-N 3.25Å; S399-A402 WeakPolarHBondContact O-CB 3.21Å; S399-A402 PolarHBondContact O-N 3.33Å; S399-A402 VanDerWaalsContact O-N 3.13Å; S399-L403 WeakPolarHBondContact O-CG 3.44Å; S399-L403 PolarHBondContact O-N 3.49Å; S399-L451 PolarHBondContact OG-N 3.05Å; S399-L451 PolarHBondContact OG-O 3.15Å |
| 400 | L | 79.5 | Confident | 77 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 178 | -176.5 | 142.3 | 0 | 0 | 0 | 113 | L355 I365 M369 L377 F396 Y397 L451 | L355-L400 HydrophobicContact CD2-CD1 4.46Å; I365-L400 HydrophobicContact CG2-CD1 3.6Å; M369-L400 HydrophobicContact CG-CD1 4.07Å; L377-L400 HydrophobicContact CD1-CD2 3.5Å; L377-L400 VanDerWaalsContact CD1-CD2 3.5Å; L377-L400 HydrophobicContact CD1-CG 4.29Å; F396-L400 HydrophobicContact CE1-CD1 3.99Å; F396-L400 HydrophobicContact CZ-CD1 4.02Å; F396-L400 WeakPolarHBondContact O-CB 3.39Å; F396-L400 PolarHBondContact O-N 2.84Å; Y397-L400 PolarHBondContact O-N 3.32Å; L400-L451 HydrophobicContact CB-CD1 4.11Å; L400-L451 HydrophobicContact CD1-CD1 3.91Å; L400-L451 HydrophobicContact CG-CD1 4.35Å |
| 401 | F | 78.3 | Confident | 77.3 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 16% | 0.158 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.9 | -27.4 | 176.7 | -63.4 | -50.4 | 0 | 0 | 0 | 113.2 | K382 L390 Y397 S398 S399 L403 V404 | K382-F401 HydrophobicContact CB-CE1 4.47Å; K382-F401 HydrophobicContact CB-CZ 4.33Å; K382-F401 HydrophobicContact CG-CD1 3.82Å; K382-F401 HydrophobicContact CG-CD2 4.28Å; K382-F401 HydrophobicContact CG-CE1 3.67Å; K382-F401 HydrophobicContact CG-CE2 4.14Å; K382-F401 HydrophobicContact CG-CG 4.14Å; K382-F401 HydrophobicContact CG-CZ 3.85Å; L390-F401 HydrophobicContact CD2-CE2 4.13Å; Y397-F401 WeakPolarHBondContact O-CD2 3.39Å; Y397-F401 WeakPolarHBondContact O-CG 3.2Å; Y397-F401 PolarHBondContact O-N 3.16Å; S398-F401 PolarHBondContact O-N 3.43Å; S399-F401 PolarHBondContact O-N 3.25Å; F401-L403 VanDerWaalsContact C-N 3.31Å; F401-V404 PolarHBondContact O-N 3.21Å |
| 402 | A | 78.4 | Confident | 77.7 | Confident | 40 Ų | 40 | 63 Ų | 63 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S398 S399 V404 K405 Q406 | S398-A402 WeakPolarHBondContact O-CB 3.46Å; S398-A402 PolarHBondContact O-N 2.88Å; S399-A402 WeakPolarHBondContact O-CB 3.21Å; S399-A402 PolarHBondContact O-N 3.33Å; S399-A402 VanDerWaalsContact O-N 3.13Å; A402-V404 PolarHBondContact O-N 2.89Å; A402-K405 PolarHBondContact O-N 3.17Å; A402-Q406 PolarHBondContact O-N 3.38Å |
| 403 | L | 74.2 | Confident | 77.9 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.3 | 177.6 | -73 | 170.1 | 0 | 0 | 0 | 114.9 | S399 F401 R408 L451 | S399-L403 WeakPolarHBondContact O-CG 3.44Å; S399-L403 PolarHBondContact O-N 3.49Å; F401-L403 VanDerWaalsContact C-N 3.31Å; L403-R408 VanDerWaalsContact CD1-NH1 3.33Å; L403-R408 HydrophobicContact CD2-CG 4.14Å; L403-L451 HydrophobicContact CD1-CB 3.64Å; L403-L451 HydrophobicContact CD1-CD1 4.47Å; L403-L451 WeakPolarHBondContact CD1-O 3.44Å |
| 404 | V | 71 | Confident | 78.3 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -29.5 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L377 F401 A402 | L377-V404 HydrophobicContact CB-CG2 4.11Å; F401-V404 PolarHBondContact O-N 3.21Å; A402-V404 PolarHBondContact O-N 2.89Å |
| 405 | K | 71.8 | Confident | 78.8 | Confident | 159 Ų | 159 | 54.5 Ų | 54.5 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -22.3 | -174.2 | -61.2 | -175.4 | 179.1 | -174.4 | 0 | 113.6 | A402 | A402-K405 PolarHBondContact O-N 3.17Š|
| 406 | Q | 73.6 | Confident | 79.1 | Confident | 130 Ų | 130 | 56.2 Ų | 56.2 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -119.3 | 146.8 | -174.6 | -66.7 | -173.8 | -12.6 | 0 | 0 | 112.2 | A402 | A402-Q406 PolarHBondContact O-N 3.38Š|
| 407 | P | 73.8 | Confident | 79.3 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 79% | 0.786 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 143.6 | 173.8 | 29.4 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 408 | R | 80.1 | Confident | 79.5 | Confident | 22 Ų | 22 | 61 Ų | 61 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 151.5 | 175.3 | -74.3 | -84 | -174.3 | 167.7 | 9.7 | 112 | M369 L403 H412 L413 | M369-R408 PolarHBondContact O-NH2 3.13Å; L403-R408 VanDerWaalsContact CD1-NH1 3.33Å; L403-R408 HydrophobicContact CD2-CG 4.14Å; R408-H412 HydrophobicContact CB-CB 4.49Å; R408-L413 HydrophobicContact CB-CD2 4.47Å |
| 409 | S | 84.4 | Confident | 79.8 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 149.3 | 173.1 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | Q411 H412 L413 Y452 | S409-Q411 VanDerWaalsContact C-N 3.26Å; S409-Q411 PolarHBondContact O-N 3.22Å; S409-H412 WeakPolarHBondContact O-CB 3.4Å; S409-H412 PolarHBondContact O-N 3.39Å; S409-H412 VanDerWaalsContact O-N 3.11Å; S409-H412 WeakPolarHBondContact OG-CB 3.19Å; S409-H412 PolarHBondContact OG-N 3.36Å; S409-L413 PolarHBondContact O-N 3.48Å; S409-L413 VanDerWaalsContact O-N 3.11Å; S409-Y452 PolarHBondContact OG-O 3.14Å |
| 410 | L | 82.7 | Confident | 80 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 71% | 0.707 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.4 | -37.2 | 177.7 | -176.3 | 126.7 | 0 | 0 | 0 | 112 | H412 L413 C414 | L410-H412 VanDerWaalsContact C-N 3.3Å; L410-H412 PolarHBondContact O-N 2.95Å; L410-L413 PolarHBondContact O-N 3.27Å; L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.43Å |
| 411 | Q | 82.9 | Confident | 80.1 | Confident | 119 Ų | 119 | 67.4 Ų | 67.4 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.4 | -42.9 | 175.7 | -66.1 | 179.5 | -6 | 0 | 0 | 111.9 | S409 C414 R415 | S409-Q411 VanDerWaalsContact C-N 3.26Å; S409-Q411 PolarHBondContact O-N 3.22Å; Q411-C414 PolarHBondContact O-N 3.24Å; Q411-R415 PolarHBondContact O-N 3.32Å |
| 412 | H | 82.9 | Confident | 80.1 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.009 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 176.9 | 177.6 | 88.8 | 0 | 0 | 0 | 111.7 | N370 Y372 R408 S409 L410 C414 R415 W416 Y442 | N370-H412 PolarHBondContact O-CE1 3.37Å; N370-H412 VanDerWaalsContact O-CE1 3.28Å; Y372-H412 PolarHBondContact O-NE2 2.94Å; R408-H412 HydrophobicContact CB-CB 4.49Å; S409-H412 WeakPolarHBondContact O-CB 3.4Å; S409-H412 PolarHBondContact O-N 3.39Å; S409-H412 VanDerWaalsContact O-N 3.11Å; S409-H412 WeakPolarHBondContact OG-CB 3.19Å; S409-H412 PolarHBondContact OG-N 3.36Å; L410-H412 VanDerWaalsContact C-N 3.3Å; L410-H412 PolarHBondContact O-N 2.95Å; H412-C414 VanDerWaalsContact C-N 3.3Å; H412-C414 PolarHBondContact O-N 3.11Å; H412-R415 WeakPolarHBondContact O-CB 3.27Å; H412-R415 PolarHBondContact O-N 3.26Å; H412-W416 PolarHBondContact O-N 2.82Å; H412-Y442 PolarHBondContact N-OH 3.11Å |
| 413 | L | 82.9 | Confident | 79.9 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.356 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 176 | -65.6 | 175.9 | 0 | 0 | 0 | 112 | R373 R408 S409 L410 W416 A417 | R373-L413 HydrophobicContact CG-CD2 4.15Å; R408-L413 HydrophobicContact CB-CD2 4.47Å; S409-L413 PolarHBondContact O-N 3.48Å; S409-L413 VanDerWaalsContact O-N 3.11Å; L410-L413 PolarHBondContact O-N 3.27Å; L413-W416 PolarHBondContact O-N 3.31Å; L413-A417 WeakPolarHBondContact O-CB 3.42Å; L413-A417 PolarHBondContact O-N 3.31Å |
| 414 | C | 83.1 | Confident | 79.6 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 173.8 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | L410 Q411 H412 W416 A417 L418 | L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.43Å; Q411-C414 PolarHBondContact O-N 3.24Å; H412-C414 VanDerWaalsContact C-N 3.3Å; H412-C414 PolarHBondContact O-N 3.11Å; C414-W416 VanDerWaalsContact C-N 3.33Å; C414-W416 PolarHBondContact O-N 3.34Å; C414-A417 PolarHBondContact O-N 2.99Å; C414-L418 WeakPolarHBondContact O-CB 3.23Å; C414-L418 WeakPolarHBondContact O-CG 3.39Å; C414-L418 PolarHBondContact O-N 3.28Å |
| 415 | R | 85.3 | Confident | 79.7 | Confident | 5 Ų | 5 | 79.1 Ų | 79.1 | 2% | 0.019 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.9 | -48.5 | 173.3 | 171.2 | -159.4 | -77 | 150.7 | -20.5 | 110.8 | Q411 H412 A417 L418 R419 Y442 L443 E448 | Q411-R415 PolarHBondContact O-N 3.32Å; H412-R415 WeakPolarHBondContact O-CB 3.27Å; H412-R415 PolarHBondContact O-N 3.26Å; R415-A417 PolarHBondContact O-N 3.27Å; R415-L418 PolarHBondContact O-N 3.23Å; R415-R419 HydrophobicContact CG-CG 4.36Å; R415-R419 WeakPolarHBondContact O-CB 3.25Å; R415-R419 VanDerWaalsContact O-CG 3.31Å; R415-R419 WeakPolarHBondContact O-CG 3.46Å; R415-R419 PolarHBondContact O-N 3.42Å; R415-Y442 HydrophobicContact CB-CD1 4.13Å; R415-Y442 HydrophobicContact CB-CE1 3.61Å; R415-Y442 HydrophobicContact CG-CD1 4.4Å; R415-Y442 HydrophobicContact CG-CE1 4.21Å; R415-Y442 VanDerWaalsContact NE-CE1 3.25Å; R415-Y442 PolarHBondContact NE-O 2.9Å; R415-Y442 PolarHBondContact NH1-OH 3.02Å; R415-Y442 PolarHBondContact NH2-O 2.96Å; R415-L443 HydrophobicContact CB-CD2 4.32Å; R415-L443 HydrophobicContact CG-CD2 4.17Å; R415-E448 IonicContact NH2-OE2 3.84Å |
| 416 | W | 82.9 | Confident | 79.9 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 26% | 0.261 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | -179.3 | -177 | 88.2 | 0 | 0 | 0 | 111.9 | T371 R373 H412 L413 C414 R419 T420 | T371-W416 PolarHBondContact O-NE1 3.49Å; R373-W416 HydrophobicContact CB-CD2 4.14Å; R373-W416 HydrophobicContact CB-CG 4.47Å; R373-W416 HydrophobicContact CB-CZ2 4.19Å; H412-W416 PolarHBondContact O-N 2.82Å; L413-W416 PolarHBondContact O-N 3.31Å; C414-W416 VanDerWaalsContact C-N 3.33Å; C414-W416 PolarHBondContact O-N 3.34Å; W416-R419 PolarHBondContact O-N 3.11Å; W416-T420 HydrophobicContact CD2-CG2 4.1Å; W416-T420 HydrophobicContact CE3-CG2 4.4Å; W416-T420 HydrophobicContact CH2-CG2 4.08Å; W416-T420 HydrophobicContact CZ2-CG2 3.77Å; W416-T420 HydrophobicContact CZ3-CG2 4.39Å; W416-T420 WeakPolarHBondContact O-CG2 3.31Å; W416-T420 PolarHBondContact O-N 3.28Å; W416-T420 PolarHBondContact O-OG1 3.06Å |
| 417 | A | 83.3 | Confident | 79.7 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L413 C414 R415 R419 T420 H421 | L413-A417 WeakPolarHBondContact O-CB 3.42Å; L413-A417 PolarHBondContact O-N 3.31Å; C414-A417 PolarHBondContact O-N 2.99Å; R415-A417 PolarHBondContact O-N 3.27Å; A417-R419 PolarHBondContact O-N 3.47Å; A417-T420 WeakPolarHBondContact CA-OG1 3.44Å; A417-T420 PolarHBondContact O-N 3.22Å; A417-T420 PolarHBondContact O-OG1 3.21Å; A417-H421 PolarHBondContact O-CD2 3.43Å; A417-H421 PolarHBondContact O-N 3.22Å |
| 418 | L | 83.1 | Confident | 79.6 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 178.1 | -71.9 | 172 | 0 | 0 | 0 | 112.3 | C414 R415 H421 L422 L443 | C414-L418 WeakPolarHBondContact O-CB 3.23Å; C414-L418 WeakPolarHBondContact O-CG 3.39Å; C414-L418 PolarHBondContact O-N 3.28Å; R415-L418 PolarHBondContact O-N 3.23Å; L418-H421 PolarHBondContact O-N 2.92Å; L418-L422 WeakPolarHBondContact O-CB 3.18Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 3.38Å; L418-L443 HydrophobicContact CB-CD2 4.06Å; L418-L443 HydrophobicContact CD1-CD2 4.03Å |
| 419 | R | 83.9 | Confident | 79.3 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 178 | -73.8 | -176.9 | 64.2 | 89.9 | 1.3 | 112.6 | L339 N340 R415 W416 A417 L422 E423 L426 L443 | L339-R419 PolarHBondContact O-NH2 2.91Å; N340-R419 PolarHBondContact OD1-NH1 3.01Å; N340-R419 PolarHBondContact OD1-NH2 3.3Å; R415-R419 HydrophobicContact CG-CG 4.36Å; R415-R419 WeakPolarHBondContact O-CB 3.25Å; R415-R419 VanDerWaalsContact O-CG 3.31Å; R415-R419 WeakPolarHBondContact O-CG 3.46Å; R415-R419 PolarHBondContact O-N 3.42Å; W416-R419 PolarHBondContact O-N 3.11Å; A417-R419 PolarHBondContact O-N 3.47Å; R419-L422 CarbonylContact O-C 3.51Å; R419-L422 PolarHBondContact O-N 3Å; R419-E423 PolarHBondContact O-N 3.43Å; R419-E423 VanDerWaalsContact O-N 3.08Å; R419-L426 HydrophobicContact CB-CD1 4.4Å; R419-L426 HydrophobicContact CG-CD1 3.87Å; R419-L443 PolarHBondContact NH1-O 3.1Å |
| 420 | T | 82.4 | Confident | 79 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 175.1 | 45 | 0 | 0 | 0 | 0 | 111.7 | W416 A417 L422 | W416-T420 HydrophobicContact CD2-CG2 4.1Å; W416-T420 HydrophobicContact CE3-CG2 4.4Å; W416-T420 HydrophobicContact CH2-CG2 4.08Å; W416-T420 HydrophobicContact CZ2-CG2 3.77Å; W416-T420 HydrophobicContact CZ3-CG2 4.39Å; W416-T420 WeakPolarHBondContact O-CG2 3.31Å; W416-T420 PolarHBondContact O-N 3.28Å; W416-T420 PolarHBondContact O-OG1 3.06Å; A417-T420 WeakPolarHBondContact CA-OG1 3.44Å; A417-T420 PolarHBondContact O-N 3.22Å; A417-T420 PolarHBondContact O-OG1 3.21Å; T420-L422 VanDerWaalsContact C-N 3.32Å; T420-L422 PolarHBondContact O-N 2.77Å |
| 421 | H | 82 | Confident | 78.7 | Confident | 160 Ų | 160 | 65.7 Ų | 65.7 | 74% | 0.741 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.1 | -29.2 | 172.9 | -75.3 | -58.2 | 0 | 0 | 0 | 114 | A417 L418 | A417-H421 PolarHBondContact O-CD2 3.43Å; A417-H421 PolarHBondContact O-N 3.22Å; L418-H421 PolarHBondContact O-N 2.92Å |
| 422 | L | 78.3 | Confident | 78.6 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 12.9 | -177.3 | -64 | 173.1 | 0 | 0 | 0 | 113.5 | L418 R419 T420 G424 R425 L426 A429 L433 | L418-L422 WeakPolarHBondContact O-CB 3.18Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 3.38Å; R419-L422 CarbonylContact O-C 3.51Å; R419-L422 PolarHBondContact O-N 3Å; T420-L422 VanDerWaalsContact C-N 3.32Å; T420-L422 PolarHBondContact O-N 2.77Å; L422-G424 PolarHBondContact O-N 3.38Å; L422-R425 CarbonylContact O-C 3.56Å; L422-R425 PolarHBondContact O-N 3.19Å; L422-L426 HydrophobicContact CB-CB 4.5Å; L422-L426 PolarHBondContact O-N 3.13Å; L422-A429 HydrophobicContact CD2-CB 4.08Å; L422-L433 HydrophobicContact CD1-CD1 4.17Å |
| 423 | E | 73.6 | Confident | 78.6 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 130.1 | -176.7 | -167.7 | 163.8 | -158.7 | 0 | 0 | 111.2 | R419 R425 | R419-E423 PolarHBondContact O-N 3.43Å; R419-E423 VanDerWaalsContact O-N 3.08Å; E423-R425 PolarHBondContact O-N 3.07Å |
| 424 | G | 67.1 | Low | 78.6 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 55% | 0.546 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -11.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L422 | L422-G424 PolarHBondContact O-N 3.38Š|
| 425 | R | 73.2 | Confident | 78.7 | Confident | 190 Ų | 190 | 76 Ų | 76 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -2.6 | 178 | -62.2 | -176.8 | -174.2 | 177.6 | 2.3 | 113.8 | L422 E423 H428 A429 | L422-R425 CarbonylContact O-C 3.56Å; L422-R425 PolarHBondContact O-N 3.19Å; E423-R425 PolarHBondContact O-N 3.07Å; R425-H428 PolarHBondContact O-N 3.36Å; R425-H428 VanDerWaalsContact O-N 3.07Å; R425-A429 VanDerWaalsContact O-CB 3.28Å; R425-A429 WeakPolarHBondContact O-CB 3.4Å; R425-A429 PolarHBondContact O-N 2.97Å |
| 426 | L | 76.4 | Confident | 78.8 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.037 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -52.7 | -46.9 | -173.9 | -173.2 | 143.9 | 0 | 0 | 0 | 113.7 | N340 R419 L422 H428 A429 L430 | N340-L426 HydrophobicContact CB-CD2 3.98Å; R419-L426 HydrophobicContact CB-CD1 4.4Å; R419-L426 HydrophobicContact CG-CD1 3.87Å; L422-L426 HydrophobicContact CB-CB 4.5Å; L422-L426 PolarHBondContact O-N 3.13Å; L426-H428 VanDerWaalsContact C-N 3.28Å; L426-H428 PolarHBondContact O-N 3.49Å; L426-A429 PolarHBondContact O-N 2.88Å; L426-L430 HydrophobicContact CD2-CD1 3.4Å; L426-L430 HydrophobicContact CD2-CG 4.22Å; L426-L430 HydrophobicContact CG-CD1 3.81Å; L426-L430 HydrophobicContact CG-CG 4.09Å; L426-L430 WeakPolarHBondContact O-CB 3.5Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.35Å |
| 427 | P | 69.3 | Low | 78.7 | Confident | 39 Ų | 39 | 80.2 Ų | 80.2 | 25% | 0.253 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.8 | -34.2 | 178.6 | -21.5 | 32.8 | 0 | 0 | 0 | 113.6 | Y341 P431 | Y341-P427 HydrophobicContact CD1-CG 3.83Å; Y341-P427 HydrophobicContact CD2-CG 4.29Å; Y341-P427 HydrophobicContact CE1-CB 4.18Å; Y341-P427 HydrophobicContact CE1-CG 3.83Å; Y341-P427 HydrophobicContact CE2-CG 4.32Å; Y341-P427 HydrophobicContact CG-CG 4.08Å; P427-P431 WeakPolarHBondContact O-CD 3.47Å |
| 428 | H | 71.9 | Confident | 78.7 | Confident | 138 Ų | 138 | 88.7 Ų | 88.7 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -87.1 | -28.3 | -177.1 | -62.8 | 87.6 | 0 | 0 | 0 | 113 | R425 L426 | R425-H428 PolarHBondContact O-N 3.36Å; R425-H428 VanDerWaalsContact O-N 3.07Å; L426-H428 VanDerWaalsContact C-N 3.28Å; L426-H428 PolarHBondContact O-N 3.49Å |
| 429 | A | 74.5 | Confident | 78.5 | Confident | 23 Ų | 23 | 89.7 Ų | 89.7 | 19% | 0.19 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -87.4 | -35.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L422 R425 L426 R432 L433 | L422-A429 HydrophobicContact CD2-CB 4.08Å; R425-A429 VanDerWaalsContact O-CB 3.28Å; R425-A429 WeakPolarHBondContact O-CB 3.4Å; R425-A429 PolarHBondContact O-N 2.97Å; L426-A429 PolarHBondContact O-N 2.88Å; A429-R432 PolarHBondContact O-N 3.34Å; A429-L433 PolarHBondContact O-N 2.74Å |
| 430 | L | 77.2 | Confident | 78.4 | Confident | 4 Ų | 4 | 89.9 Ų | 89.9 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -53.2 | -48 | -178.8 | -78.1 | 173.2 | 0 | 0 | 0 | 115 | L426 R432 L433 L440 L443 Q444 | L426-L430 HydrophobicContact CD2-CD1 3.4Å; L426-L430 HydrophobicContact CD2-CG 4.22Å; L426-L430 HydrophobicContact CG-CD1 3.81Å; L426-L430 HydrophobicContact CG-CG 4.09Å; L426-L430 WeakPolarHBondContact O-CB 3.5Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.35Å; L430-R432 PolarHBondContact O-N 3.5Å; L430-R432 VanDerWaalsContact O-N 3.14Å; L430-L433 HydrophobicContact CD2-CD1 4.34Å; L430-L433 PolarHBondContact O-N 3.39Å; L430-L440 HydrophobicContact CD2-CD2 4.07Å; L430-L440 WeakPolarHBondContact O-CD2 3.39Å; L430-L443 HydrophobicContact CD2-CB 3.92Å; L430-L443 HydrophobicContact CD2-CD1 3.97Å; L430-Q444 HydrophobicContact CD1-CG 3.4Å; L430-Q444 VanDerWaalsContact CD1-CG 3.4Å |
| 431 | P | 76.7 | Confident | 78.3 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 67% | 0.669 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -67.9 | -12.4 | -180 | 25.2 | -33.4 | 0 | 0 | 0 | 113.7 | P427 | P427-P431 WeakPolarHBondContact O-CD 3.47Š|
| 432 | R | 81.4 | Confident | 78.3 | Confident | 219 Ų | 219 | 88.6 Ų | 88.6 | 83% | 0.826 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -96.4 | -8.8 | 179.8 | -62.2 | -177.5 | 175.2 | 174.5 | 0.1 | 113.3 | A429 L430 | A429-R432 PolarHBondContact O-N 3.34Å; L430-R432 PolarHBondContact O-N 3.5Å; L430-R432 VanDerWaalsContact O-N 3.14Å |
| 433 | L | 82.1 | Confident | 78.3 | Confident | 62 Ų | 62 | 87.1 Ų | 87.1 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -81 | 131.8 | 179.6 | -71.3 | 170 | 0 | 0 | 0 | 110.3 | L422 A429 L430 L435 L440 | L422-L433 HydrophobicContact CD1-CD1 4.17Å; A429-L433 PolarHBondContact O-N 2.74Å; L430-L433 HydrophobicContact CD2-CD1 4.34Å; L430-L433 PolarHBondContact O-N 3.39Å; L433-L435 HydrophobicContact CB-CD1 4.17Å; L433-L435 HydrophobicContact CB-CG 4.21Å; L433-L435 HydrophobicContact CD1-CD1 4.24Å; L433-L435 PolarHBondContact O-N 3.17Å; L433-L440 HydrophobicContact CB-CD2 4.31Å |
| 434 | P | 83.3 | Confident | 78.7 | Confident | 131 Ų | 131 | 85.5 Ų | 85.5 | 85% | 0.851 | 43% | 0.427 | S | S | * | . | trans | -78.6 | 58.8 | 177.6 | 34.4 | -36.4 | 0 | 0 | 0 | 110.9 | ||||
| 435 | L | 84.4 | Confident | 79.2 | Confident | 57 Ų | 57 | 83 Ų | 83 | 30% | 0.298 | 40% | 0.401 | S | S | . | . | trans | -111.6 | 149.9 | -179.3 | -68.3 | 175 | 0 | 0 | 0 | 111.2 | L433 M439 L440 L443 | L433-L435 HydrophobicContact CB-CD1 4.17Å; L433-L435 HydrophobicContact CB-CG 4.21Å; L433-L435 HydrophobicContact CD1-CD1 4.24Å; L433-L435 PolarHBondContact O-N 3.17Å; L435-M439 HydrophobicContact CB-CB 4.38Å; L435-M439 HydrophobicContact CD2-CE 4.42Å; L435-M439 HydrophobicContact CD2-SD 4.41Å; L435-L440 HydrophobicContact CB-CD2 3.99Å; L435-L440 HydrophobicContact CB-CG 4.11Å; L435-L440 HydrophobicContact CD1-CD2 4.33Å; L435-L443 HydrophobicContact CD1-CD1 3.85Å | ||
| 436 | P | 86.9 | Confident | 79.2 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | trans | -56.6 | 147.6 | 171.7 | -22.9 | 32.5 | 0 | 0 | 0 | 111.7 | R438 M439 L440 | P436-R438 PolarHBondContact O-N 3.23Å; P436-R438 VanDerWaalsContact O-N 3.09Å; P436-M439 HydrophobicContact CG-SD 4.26Å; P436-M439 PolarHBondContact O-N 2.9Å; P436-L440 PolarHBondContact O-N 3.13Å; P436-L440 VanDerWaalsContact O-N 3.13Å | ||
| 437 | P | 82.1 | Confident | 78.8 | Confident | 89 Ų | 89 | 77.8 Ų | 77.8 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.5 | -31.2 | -177 | 21.9 | -33.1 | 0 | 0 | 0 | 112.9 | L440 R441 | P437-L440 PolarHBondContact O-N 3.01Å; P437-R441 WeakPolarHBondContact O-CB 3.26Å; P437-R441 WeakPolarHBondContact O-CG 3.15Å; P437-R441 PolarHBondContact O-N 2.96Å |
| 438 | R | 82.3 | Confident | 78.5 | Confident | 214 Ų | 214 | 79.3 Ų | 79.3 | 81% | 0.808 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 174.4 | -69.2 | -173.9 | 174.9 | 177.6 | -1.9 | 112.8 | P436 Y442 | P436-R438 PolarHBondContact O-N 3.23Å; P436-R438 VanDerWaalsContact O-N 3.09Å; R438-Y442 WeakPolarHBondContact O-CB 3.44Å; R438-Y442 PolarHBondContact O-N 3.42Å |
| 439 | M | 80.6 | Confident | 78.1 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 48% | 0.483 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.9 | -33.6 | 178 | -67.7 | -174.1 | 72.3 | 0 | 0 | 111.8 | L435 P436 Y442 L443 | L435-M439 HydrophobicContact CB-CB 4.38Å; L435-M439 HydrophobicContact CD2-CE 4.42Å; L435-M439 HydrophobicContact CD2-SD 4.41Å; P436-M439 HydrophobicContact CG-SD 4.26Å; P436-M439 PolarHBondContact O-N 2.9Å; M439-Y442 WeakPolarHBondContact O-CB 3.35Å; M439-Y442 PolarHBondContact O-N 3.03Å; M439-L443 WeakPolarHBondContact O-CG 3.47Å; M439-L443 PolarHBondContact O-N 3.19Å |
| 440 | L | 81.6 | Confident | 77.4 | Confident | 35 Ų | 35 | 79.2 Ų | 79.2 | 18% | 0.183 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 173.1 | -67.1 | 174.9 | 0 | 0 | 0 | 111.2 | L430 L433 L435 P436 P437 L443 Q444 | L430-L440 HydrophobicContact CD2-CD2 4.07Å; L430-L440 WeakPolarHBondContact O-CD2 3.39Å; L433-L440 HydrophobicContact CB-CD2 4.31Å; L435-L440 HydrophobicContact CB-CD2 3.99Å; L435-L440 HydrophobicContact CB-CG 4.11Å; L435-L440 HydrophobicContact CD1-CD2 4.33Å; P436-L440 PolarHBondContact O-N 3.13Å; P436-L440 VanDerWaalsContact O-N 3.13Å; P437-L440 PolarHBondContact O-N 3.01Å; L440-L443 WeakPolarHBondContact O-CB 3.44Å; L440-L443 PolarHBondContact O-N 3.27Å; L440-Q444 WeakPolarHBondContact O-CG 3.44Å; L440-Q444 PolarHBondContact O-N 3.3Å |
| 441 | R | 80 | Confident | 76.5 | Confident | 148 Ų | 148 | 79.1 Ų | 79.1 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 172.4 | -76.1 | -174.8 | -166.5 | 178.7 | 1.4 | 112.6 | P437 L443 Q444 L445 D446 | P437-R441 WeakPolarHBondContact O-CB 3.26Å; P437-R441 WeakPolarHBondContact O-CG 3.15Å; P437-R441 PolarHBondContact O-N 2.96Å; R441-L443 VanDerWaalsContact C-N 3.29Å; R441-L443 PolarHBondContact O-N 3.21Å; R441-Q444 CarbonylContact O-C 3.56Å; R441-Q444 WeakPolarHBondContact O-CA 3Å; R441-Q444 WeakPolarHBondContact O-CB 3.42Å; R441-Q444 PolarHBondContact O-N 3.17Å; R441-L445 PolarHBondContact O-N 3.08Å; R441-D446 HydrophobicContact CB-CB 4.15Å; R441-D446 WeakPolarHBondContact CB-OD2 3.23Å; R441-D446 WeakPolarHBondContact CD-OD2 3.5Å; R441-D446 WeakPolarHBondContact CG-OD2 3.32Å; R441-D446 WeakPolarHBondContact O-CB 3.46Å; R441-D446 PolarHBondContact O-N 3.43Å; R441-D446 VanDerWaalsContact O-N 3.12Å |
| 442 | Y | 81.1 | Confident | 75.5 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58 | -40.8 | 174.2 | -174.2 | -99.5 | 0 | 0 | 0 | 112.2 | H412 R415 R438 M439 Q444 L445 E448 | H412-Y442 PolarHBondContact N-OH 3.11Å; R415-Y442 HydrophobicContact CB-CD1 4.13Å; R415-Y442 HydrophobicContact CB-CE1 3.61Å; R415-Y442 HydrophobicContact CG-CD1 4.4Å; R415-Y442 HydrophobicContact CG-CE1 4.21Å; R415-Y442 VanDerWaalsContact NE-CE1 3.25Å; R415-Y442 PolarHBondContact NE-O 2.9Å; R415-Y442 PolarHBondContact NH1-OH 3.02Å; R415-Y442 PolarHBondContact NH2-O 2.96Å; R438-Y442 WeakPolarHBondContact O-CB 3.44Å; R438-Y442 PolarHBondContact O-N 3.42Å; M439-Y442 WeakPolarHBondContact O-CB 3.35Å; M439-Y442 PolarHBondContact O-N 3.03Å; Y442-Q444 VanDerWaalsContact C-N 3.34Å; Y442-L445 PolarHBondContact O-N 2.69Å; Y442-E448 VanDerWaalsContact CD2-OE1 3.27Å; Y442-E448 WeakPolarHBondContact CD2-OE1 3.33Å; Y442-E448 WeakPolarHBondContact CE2-OE2 3.19Å |
| 443 | L | 79.8 | Confident | 75.2 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.9 | -29.3 | 175.1 | -72 | 173.4 | 0 | 0 | 0 | 112.5 | R415 L418 R419 L430 L435 M439 L440 R441 L445 | R415-L443 HydrophobicContact CB-CD2 4.32Å; R415-L443 HydrophobicContact CG-CD2 4.17Å; L418-L443 HydrophobicContact CB-CD2 4.06Å; L418-L443 HydrophobicContact CD1-CD2 4.03Å; R419-L443 PolarHBondContact NH1-O 3.1Å; L430-L443 HydrophobicContact CD2-CB 3.92Å; L430-L443 HydrophobicContact CD2-CD1 3.97Å; L435-L443 HydrophobicContact CD1-CD1 3.85Å; M439-L443 WeakPolarHBondContact O-CG 3.47Å; M439-L443 PolarHBondContact O-N 3.19Å; L440-L443 WeakPolarHBondContact O-CB 3.44Å; L440-L443 PolarHBondContact O-N 3.27Å; R441-L443 VanDerWaalsContact C-N 3.29Å; R441-L443 PolarHBondContact O-N 3.21Å; L443-L445 PolarHBondContact O-N 2.92Å |
| 444 | Q | 80.5 | Confident | 74.8 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 5.7 | 175.7 | -73.4 | 176.9 | -26.3 | 0 | 0 | 114.3 | R336 N340 L430 L440 R441 Y442 | R336-Q444 WeakPolarHBondContact CD-O 3.27Å; R336-Q444 VanDerWaalsContact CG-O 3.29Å; R336-Q444 WeakPolarHBondContact CG-O 3.08Å; N340-Q444 PolarHBondContact ND2-O 3.21Å; N340-Q444 PolarHBondContact OD1-O 3.35Å; L430-Q444 HydrophobicContact CD1-CG 3.4Å; L430-Q444 VanDerWaalsContact CD1-CG 3.4Å; L440-Q444 WeakPolarHBondContact O-CG 3.44Å; L440-Q444 PolarHBondContact O-N 3.3Å; R441-Q444 CarbonylContact O-C 3.56Å; R441-Q444 WeakPolarHBondContact O-CA 3Å; R441-Q444 WeakPolarHBondContact O-CB 3.42Å; R441-Q444 PolarHBondContact O-N 3.17Å; Y442-Q444 VanDerWaalsContact C-N 3.34Å |
| 445 | L | 77.4 | Confident | 74.4 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 39.7 | -176.7 | -51.5 | 169.8 | 0 | 0 | 0 | 112.6 | R336 L339 V367 N370 T371 R441 Y442 L443 | R336-L445 HydrophobicContact CG-CB 4.28Å; L339-L445 HydrophobicContact CB-CD1 4.14Å; L339-L445 HydrophobicContact CD1-CD1 4.27Å; V367-L445 HydrophobicContact CG1-CB 4.41Å; V367-L445 HydrophobicContact CG1-CD1 4.12Å; N370-L445 HydrophobicContact CB-CD2 3.87Å; T371-L445 HydrophobicContact CG2-CD1 4.11Å; R441-L445 PolarHBondContact O-N 3.08Å; Y442-L445 PolarHBondContact O-N 2.69Å; L443-L445 PolarHBondContact O-N 2.92Å |
| 446 | D | 74 | Confident | 73.8 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | trans | -66 | 149.1 | 168.1 | -80.9 | -7.6 | 0 | 0 | 0 | 111.8 | R336 R441 | R336-D446 IonicContact CZ-OD1 3.9Å; R336-D446 IonicContact NH1-OD1 3.43Å; R336-D446 PolarHBondContact NH1-OD1 3.21Å; R441-D446 HydrophobicContact CB-CB 4.15Å; R441-D446 WeakPolarHBondContact CB-OD2 3.23Å; R441-D446 WeakPolarHBondContact CD-OD2 3.5Å; R441-D446 WeakPolarHBondContact CG-OD2 3.32Å; R441-D446 WeakPolarHBondContact O-CB 3.46Å; R441-D446 PolarHBondContact O-N 3.43Å; R441-D446 VanDerWaalsContact O-N 3.12Å | ||
| 447 | F | 67.3 | Low | 73 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 21% | 0.211 | 33% | 0.329 | C | S | . | . | trans | -72.4 | 132.1 | -173.4 | -48.3 | -76.1 | 0 | 0 | 0 | 111.9 | E332 R363 V367 | E332-F447 HydrophobicContact CB-CE1 3.68Å; E332-F447 HydrophobicContact CB-CZ 3.5Å; E332-F447 VanDerWaalsContact CB-CZ 3.5Å; E332-F447 HydrophobicContact CG-CE1 3.82Å; E332-F447 HydrophobicContact CG-CE2 3.99Å; E332-F447 HydrophobicContact CG-CZ 3.27Å; R363-F447 HydrophobicContact CB-CD1 3.63Å; R363-F447 HydrophobicContact CB-CE1 3.58Å; R363-F447 HydrophobicContact CB-CG 4.49Å; R363-F447 HydrophobicContact CB-CZ 4.43Å; R363-F447 HydrophobicContact CG-CD1 3.74Å; R363-F447 HydrophobicContact CG-CE1 4.17Å; R363-F447 HydrophobicContact CG-CG 4.2Å; V367-F447 HydrophobicContact CG2-CD1 4.09Å; V367-F447 HydrophobicContact CG2-CE1 3.37Å; V367-F447 HydrophobicContact CG2-CZ 4.05Å | ||
| 448 | E | 64.4 | Low | 72.3 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 34% | 0.336 | 31% | 0.312 | S | S | . | . | trans | -116.7 | -0.9 | 171 | -65.2 | -179.8 | 142.7 | 0 | 0 | 111.6 | E366 R415 Y442 L450 Y452 | E366-E448 PolarHBondContact OE1-N 2.89Å; R415-E448 IonicContact NH2-OE2 3.84Å; Y442-E448 VanDerWaalsContact CD2-OE1 3.27Å; Y442-E448 WeakPolarHBondContact CD2-OE1 3.33Å; Y442-E448 WeakPolarHBondContact CE2-OE2 3.19Å; E448-L450 PolarHBondContact O-N 3.49Å; E448-Y452 HydrophobicContact CB-CE2 4.27Å; E448-Y452 VanDerWaalsContact OE2-CE2 3.31Å; E448-Y452 WeakPolarHBondContact OE2-CE2 3.42Å | ||
| 449 | D | 61.7 | Low | 71.6 | Confident | 81 Ų | 81 | 60.7 Ų | 60.7 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 56.3 | 12.9 | -177.9 | -64 | -44.4 | 0 | 0 | 0 | 113.3 | R363 E366 | R363-D449 IonicContact NE-OD1 3.76Å; R363-D449 PolarHBondContact NE-OD1 3.32Å; R363-D449 IonicContact NH2-OD2 2.71Å; E366-D449 PolarHBondContact OE2-N 3.16Å |
| 450 | L | 60.4 | Low | 70.9 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | trans | -143.6 | 128.1 | 178.7 | -69.3 | 174.1 | 0 | 0 | 0 | 110.8 | E448 Y452 | E448-L450 PolarHBondContact O-N 3.49Å; L450-Y452 HydrophobicContact CB-CE2 4.49Å; L450-Y452 PolarHBondContact O-N 2.71Å | ||
| 451 | L | 57.8 | Low | 70 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -96.1 | 75.2 | 176.9 | -69.9 | 168.2 | 0 | 0 | 0 | 109.4 | E366 M369 N370 F396 S399 L400 L403 | E366-L451 HydrophobicContact CB-CD2 4.36Å; E366-L451 HydrophobicContact CG-CD2 3.56Å; E366-L451 HydrophobicContact CG-CG 4.03Å; M369-L451 HydrophobicContact CB-CD1 4.17Å; M369-L451 HydrophobicContact CB-CD2 4.24Å; N370-L451 VanDerWaalsContact OD1-CD2 3.23Å; N370-L451 WeakPolarHBondContact OD1-CD2 3.4Å; F396-L451 HydrophobicContact CD2-CD1 4.2Å; F396-L451 HydrophobicContact CD2-CG 4.32Å; F396-L451 HydrophobicContact CE2-CD1 3.39Å; F396-L451 HydrophobicContact CE2-CG 3.71Å; F396-L451 HydrophobicContact CZ-CD1 3.66Å; F396-L451 HydrophobicContact CZ-CG 4.45Å; S399-L451 PolarHBondContact OG-N 3.05Å; S399-L451 PolarHBondContact OG-O 3.15Å; L400-L451 HydrophobicContact CB-CD1 4.11Å; L400-L451 HydrophobicContact CD1-CD1 3.91Å; L400-L451 HydrophobicContact CG-CD1 4.35Å; L403-L451 HydrophobicContact CD1-CB 3.64Å; L403-L451 HydrophobicContact CD1-CD1 4.47Å; L403-L451 WeakPolarHBondContact CD1-O 3.44Å | ||
| 452 | Y | 56.3 | Low | 69.1 | Low | 137 Ų | 137 | 51.7 Ų | 51.7 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | trans | -43.8 | 0 | -176.7 | -58.2 | -87.5 | 0 | 0 | 0 | 116.6 | S409 E448 L450 | S409-Y452 PolarHBondContact OG-O 3.14Å; E448-Y452 HydrophobicContact CB-CE2 4.27Å; E448-Y452 VanDerWaalsContact OE2-CE2 3.31Å; E448-Y452 WeakPolarHBondContact OE2-CE2 3.42Å; L450-Y452 HydrophobicContact CB-CE2 4.49Å; L450-Y452 PolarHBondContact O-N 2.71Å |
Retrieved 452 of 452 residues in 189 ms
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