| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 30.4 | Very low | 258 Ų | 258 | 163.7 Ų | 163.7 | 100% | 1.271 | 86% | 0.862 | S | S | * | * | 0 | 125.8 | 0 | -86.5 | 178.9 | 160 | 0 | 0 | 108 | |||||
| 2 | G | 32.8 | Very low | 30.1 | Very low | 86 Ų | 86 | 158.8 Ų | 158.8 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | 141.6 | 82.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3 | S | 29.8 | Very low | 29.7 | Very low | 107 Ų | 107 | 156.2 Ų | 156.2 | 75% | 0.748 | 85% | 0.845 | S | S | * | * | trans | -108.3 | 133 | -174 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | V | 35.5 | Very low | 29.8 | Very low | 123 Ų | 123 | 153.6 Ų | 153.6 | 75% | 0.745 | 84% | 0.837 | S | S | * | * | trans | 67.6 | 120.5 | 138.7 | 177.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 5 | R | 30.6 | Very low | 29.8 | Very low | 251 Ų | 251 | 156.3 Ų | 156.3 | 95% | 0.947 | 84% | 0.842 | S | S | * | * | -150.8 | 132.8 | 113.5 | -121.1 | 177.1 | -177.6 | 176.2 | 0.5 | 113 | |||||
| 6 | A | 31.8 | Very low | 30 | Very low | 78 Ų | 78 | 157.8 Ų | 157.8 | 65% | 0.645 | 84% | 0.842 | S | S | * | * | trans | -85.2 | 156.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 7 | N | 26.2 | Very low | 30 | Very low | 171 Ų | 171 | 159.9 Ų | 159.9 | 91% | 0.914 | 85% | 0.845 | S | S | * | * | trans | -135.2 | 109.7 | 147.4 | -107.3 | -12.1 | 0 | 0 | 0 | 109.1 | ||||
| 8 | R | 29.1 | Very low | 29.9 | Very low | 224 Ų | 224 | 155.4 Ų | 155.4 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | -88.8 | 131.7 | 165 | -85 | 179.4 | 173.8 | -179.5 | -2 | 107.4 | ||||
| 9 | Y | 29.3 | Very low | 29.7 | Very low | 238 Ų | 238 | 156.8 Ų | 156.8 | 93% | 0.933 | 85% | 0.846 | S | S | * | * | trans | -149.4 | 121 | 131.7 | -95.4 | -73.6 | 0 | 0 | 0 | 108.9 | ||||
| 10 | S | 24.6 | Very low | 29.7 | Very low | 98 Ų | 98 | 159.2 Ų | 159.2 | 69% | 0.685 | 85% | 0.848 | S | S | * | * | trans | -87.4 | 142 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | I | 28.5 | Very low | 29.6 | Very low | 167 Ų | 167 | 159.2 Ų | 159.2 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | -133.5 | 124.6 | 142.9 | -63.8 | -175.5 | 0 | 0 | 0 | 108.5 | ||||
| 12 | V | 26.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 151.8 Ų | 151.8 | 63% | 0.63 | 83% | 0.827 | S | S | * | * | trans | -68.7 | 135.5 | -177.7 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 13 | S | 25.9 | Very low | 29.3 | Very low | 125 Ų | 125 | 153.8 Ų | 153.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -146.7 | 102.7 | 145.7 | -74.5 | 0 | 0 | 0 | 0 | 107.5 | E15 | S13-E15 PolarHBondContact O-N 3.47Š| ||
| 14 | T | 30.9 | Very low | 29.4 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -68.3 | 106.6 | 173.4 | -1.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 15 | E | 30.2 | Very low | 29.1 | Very low | 194 Ų | 194 | 154 Ų | 154 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | -141.5 | 95.1 | 147.8 | -75.7 | -166.9 | 158.9 | 0 | 0 | 107.3 | S13 H17 | S13-E15 PolarHBondContact O-N 3.47Å; E15-H17 PolarHBondContact O-N 3.3Å | ||
| 16 | E | 32.2 | Very low | 29.2 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -62.5 | 112.9 | 163.3 | -75.9 | -178.5 | 134.7 | 0 | 0 | 108.4 | ||||
| 17 | H | 30 | Very low | 29.5 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -147.4 | 107.2 | 141.8 | -99.7 | 68 | 0 | 0 | 0 | 106.8 | E15 M19 | E15-H17 PolarHBondContact O-N 3.3Å; H17-M19 PolarHBondContact O-N 3.38Å | ||
| 18 | G | 27.8 | Very low | 29.7 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -61 | 128 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K20 | G18-K20 PolarHBondContact O-N 3.29Š| ||
| 19 | M | 27.6 | Very low | 29.9 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -60.9 | 119.6 | 163.1 | -81.2 | 173.5 | 169 | 0 | 0 | 109.7 | H17 | H17-M19 PolarHBondContact O-N 3.38Š| ||
| 20 | K | 28.3 | Very low | 30.4 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -100.4 | 112.3 | 157 | -75.4 | -172.1 | 177.2 | -177.3 | 0 | 108.1 | G18 A22 | G18-K20 PolarHBondContact O-N 3.29Å; K20-A22 PolarHBondContact O-N 3.02Å | ||
| 21 | L | 29.1 | Very low | 30.7 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -56.4 | 120.7 | 164.4 | -121.7 | 78.8 | 0 | 0 | 0 | 108.1 | T23 | L21-T23 PolarHBondContact O-N 3.27Š| ||
| 22 | A | 30.2 | Very low | 31.3 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | -81.6 | 102.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | K20 | K20-A22 PolarHBondContact O-N 3.02Š| ||
| 23 | T | 31.6 | Very low | 31.6 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -74.2 | 124.2 | 167.6 | -37.2 | 0 | 0 | 0 | 0 | 108.4 | L21 A25 | L21-T23 PolarHBondContact O-N 3.27Å; T23-A25 PolarHBondContact O-N 2.7Å | ||
| 24 | V | 30.7 | Very low | 32.1 | Very low | 141 Ų | 141 | 147 Ų | 147 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -62.2 | 114.8 | 172.1 | 174.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 25 | A | 30.9 | Very low | 32.4 | Very low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 120.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T23 | T23-A25 PolarHBondContact O-N 2.7Š|
| 26 | V | 30.8 | Very low | 32.6 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134.5 | 169.8 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | N28 | V26-N28 PolarHBondContact O-N 2.92Š|
| 27 | P | 38.2 | Very low | 33 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 120.5 | -175.4 | 31.5 | -30.1 | 0 | 0 | 0 | 111.1 | ||
| 28 | N | 32 | Very low | 33.5 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -137.9 | 125.7 | 157.7 | -111.2 | -7 | 0 | 0 | 0 | 108.5 | V26 | V26-N28 PolarHBondContact O-N 2.92Š| ||
| 29 | G | 31.8 | Very low | 34.3 | Very low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | 128.8 | 112.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 30 | Y | 39.8 | Very low | 35.3 | Very low | 250 Ų | 250 | 148.3 Ų | 148.3 | 98% | 0.98 | 81% | 0.814 | S | S | * | * | trans | -58.4 | 128.3 | 168.3 | -90 | -104.8 | 0 | 0 | 0 | 112.1 | ||||
| 31 | G | 31.9 | Very low | 36.7 | Very low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -161.3 | 115.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G33 | G31-G33 PolarHBondContact O-N 3.35Š| ||
| 32 | K | 41.6 | Very low | 38.4 | Very low | 229 Ų | 229 | 140 Ų | 140 | 100% | 0.996 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 100.5 | 172.3 | -85.6 | -180 | 174.2 | 175.8 | 0 | 109.7 | ||||
| 33 | G | 32.4 | Very low | 40.6 | Very low | 54 Ų | 54 | 140.3 Ų | 140.3 | 56% | 0.557 | 78% | 0.781 | S | S | * | * | trans | -132.3 | 132 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G31 V35 | G31-G33 PolarHBondContact O-N 3.35Å; G33-V35 PolarHBondContact O-N 3.15Å | ||
| 34 | K | 35.8 | Very low | 43.4 | Very low | 209 Ų | 209 | 136.1 Ų | 136.1 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -53.4 | 111.6 | 174 | -76.7 | 175.9 | 173.1 | 177.8 | 0 | 109 | H36 | K34-H36 PolarHBondContact O-N 3.14Š| ||
| 35 | V | 36.8 | Very low | 46.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -71 | 97.4 | 175.5 | -177 | 0 | 0 | 0 | 0 | 107.4 | G33 T37 | G33-V35 PolarHBondContact O-N 3.15Å; V35-T37 VanDerWaalsContact C-N 3.31Å; V35-T37 HydrophobicContact CG1-CG2 4Å; V35-T37 PolarHBondContact O-N 2.72Å; V35-T37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | H | 35.7 | Very low | 49.4 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | trans | -68.1 | 100.5 | 153 | -84.5 | 0.5 | 0 | 0 | 0 | 106.3 | K34 R38 | K34-H36 PolarHBondContact O-N 3.14Å; H36-R38 PolarHBondContact O-N 3.05Å | ||
| 37 | T | 39.1 | Very low | 52.3 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | trans | -63.8 | 75.2 | 163.4 | 33 | 0 | 0 | 0 | 0 | 108.2 | V35 H39 | V35-T37 VanDerWaalsContact C-N 3.31Å; V35-T37 HydrophobicContact CG1-CG2 4Å; V35-T37 PolarHBondContact O-N 2.72Å; V35-T37 VanDerWaalsContact O-N 3.13Å; T37-H39 PolarHBondContact O-N 3.35Å | ||
| 38 | R | 40.8 | Very low | 54.8 | Low | 228 Ų | 228 | 123.8 Ų | 123.8 | 86% | 0.86 | 65% | 0.646 | S | S | * | * | trans | -71 | 91.8 | 163 | -163.5 | 177.6 | -171.7 | 177.1 | 2.5 | 104.6 | H36 Q40 | H36-R38 PolarHBondContact O-N 3.05Å; R38-Q40 PolarHBondContact O-N 3.08Å | ||
| 39 | H | 45.9 | Very low | 57.5 | Low | 167 Ų | 167 | 120.5 Ų | 120.5 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | trans | -47 | 108.6 | 167.5 | -108.9 | -85.8 | 0 | 0 | 0 | 106.3 | T37 | T37-H39 PolarHBondContact O-N 3.35Š| ||
| 40 | Q | 48.6 | Very low | 60.2 | Low | 167 Ų | 167 | 117 Ų | 117 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | trans | -61.6 | 128.5 | 170.5 | -83.5 | 179.6 | -17.4 | 0 | 0 | 105.7 | R38 Q42 | R38-Q40 PolarHBondContact O-N 3.08Å; Q40-Q42 PolarHBondContact O-N 2.9Å | ||
| 41 | P | 56.3 | Low | 62.5 | Low | 126 Ų | 126 | 110.7 Ų | 110.7 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | trans | -59 | 114.5 | 176.8 | 22.6 | -30.5 | 0 | 0 | 0 | 107.4 | S43 | P41-S43 PolarHBondContact O-N 3.37Š| ||
| 42 | Q | 65.1 | Low | 65.2 | Low | 65 Ų | 65 | 110.8 Ų | 110.8 | 30% | 0.304 | 56% | 0.56 | S | S | . | * | trans | -53 | 131.5 | 177 | -84.5 | 175 | -16.7 | 0 | 0 | 109.1 | Q40 R44 E287 | Q40-Q42 PolarHBondContact O-N 2.9Å; Q42-R44 PolarHBondContact O-N 2.88Å; Q42-E287 PolarHBondContact NE2-OE1 2.95Å | ||
| 43 | S | 76.9 | Confident | 67.5 | Low | 108 Ų | 108 | 104 Ų | 104 | 76% | 0.755 | 54% | 0.535 | S | S | * | . | trans | -66.8 | 129.9 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | P41 | P41-S43 PolarHBondContact O-N 3.37Š| ||
| 44 | R | 90.3 | Very high | 70.2 | Confident | 39 Ų | 39 | 104.4 Ų | 104.4 | 15% | 0.147 | 53% | 0.526 | C | S | . | . | trans | -104.3 | 139.7 | -178.8 | -179.9 | -166.8 | -71.2 | -120.3 | 7 | 109.9 | Q42 V46 N53 E289 S310 L312 E315 | Q42-R44 PolarHBondContact O-N 2.88Å; R44-V46 WeakPolarHBondContact CD-O 3.29Å; R44-V46 VanDerWaalsContact CG-O 3.27Å; R44-V46 WeakPolarHBondContact CG-O 3.25Å; R44-N53 VanDerWaalsContact O-CB 3.29Å; R44-N53 WeakPolarHBondContact O-CB 3.21Å; R44-N53 PolarHBondContact O-ND2 3.41Å; R44-N53 VanDerWaalsContact O-ND2 3.15Å; R44-E289 WeakPolarHBondContact CG-OE1 3.24Å; R44-S310 WeakPolarHBondContact CD-OG 3.43Å; R44-S310 PolarHBondContact NH1-O 3.37Å; R44-S310 PolarHBondContact NH1-OG 3.03Å; R44-L312 HydrophobicContact CB-CD2 4.35Å; R44-L312 HydrophobicContact CG-CD2 4.24Å; R44-E315 IonicContact CZ-OE1 2.6Å; R44-E315 IonicContact CZ-OE2 2.93Å; R44-E315 IonicContact NH1-OE2 3.31Å; R44-E315 PolarHBondContact NH1-OE2 2.91Å; R44-E315 IonicContact NH2-OE1 3.46Å; R44-E315 PolarHBondContact NH2-OE1 2.86Å; R44-E315 IonicContact NH2-OE2 3.57Å; R44-E315 PolarHBondContact NH2-OE2 3.34Å | ||
| 45 | F | 92.4 | Very high | 72.5 | Confident | 62 Ų | 62 | 102 Ų | 102 | 27% | 0.272 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -77.3 | -45.3 | 178.6 | -170.6 | -105.7 | 0 | 0 | 0 | 112.7 | N53 V54 L228 L241 E289 | F45-N53 PolarHBondContact O-N 3.3Å; F45-V54 HydrophobicContact CD2-CG2 3.63Å; F45-V54 HydrophobicContact CE1-CG2 4.47Å; F45-V54 HydrophobicContact CE2-CG2 3.14Å; F45-V54 HydrophobicContact CG-CG2 4.49Å; F45-V54 HydrophobicContact CZ-CG2 3.62Å; F45-L228 HydrophobicContact CB-CD1 3.85Å; F45-L228 HydrophobicContact CD1-CD1 3.49Å; F45-L228 VanDerWaalsContact CD1-CD1 3.49Å; F45-L228 HydrophobicContact CE1-CD1 4.32Å; F45-L228 HydrophobicContact CG-CD1 3.88Å; F45-L241 HydrophobicContact CD2-CD1 3.64Å; F45-L241 HydrophobicContact CE2-CD1 3.9Å; F45-L241 HydrophobicContact CG-CD1 4.44Å; F45-E289 WeakPolarHBondContact CB-OE2 3.21Å; F45-E289 PolarHBondContact N-OE2 3.3Å |
| 46 | V | 94.4 | Very high | 74.6 | Confident | 4 Ų | 4 | 103.8 Ų | 103.8 | 2% | 0.024 | 52% | 0.516 | C | S | . | . | B | Isolated β-bridge | trans | -121 | 116.5 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | R44 E289 V291 R308 S310 | R44-V46 WeakPolarHBondContact CD-O 3.29Å; R44-V46 VanDerWaalsContact CG-O 3.27Å; R44-V46 WeakPolarHBondContact CG-O 3.25Å; V46-E289 PolarHBondContact N-OE1 3.35Å; V46-V291 HydrophobicContact CB-CG2 4.22Å; V46-V291 HydrophobicContact CG2-CG1 4.1Å; V46-V291 HydrophobicContact CG2-CG2 3.82Å; V46-R308 HydrophobicContact CG1-CB 4.32Å; V46-S310 WeakPolarHBondContact O-CB 3.37Å; V46-S310 PolarHBondContact O-OG 2.89Å |
| 47 | K | 92.9 | Very high | 76.9 | Confident | 98 Ų | 98 | 101.5 Ų | 101.5 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | trans | -59.9 | 160.8 | 176.7 | -71.4 | -179.2 | -176 | -176.8 | 0 | 112.3 | D49 G50 H51 | K47-D49 WeakPolarHBondContact CB-OD1 3.5Å; K47-D49 PolarHBondContact O-N 2.87Å; K47-D49 VanDerWaalsContact O-N 3.11Å; K47-G50 WeakPolarHBondContact O-CA 3.48Å; K47-G50 PolarHBondContact O-N 2.9Å; K47-H51 WeakPolarHBondContact CB-O 3.49Å; K47-H51 PolarHBondContact N-O 3.45Å | ||
| 48 | K | 91.4 | Very high | 78.8 | Confident | 62 Ų | 62 | 103.4 Ų | 103.4 | 27% | 0.27 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28 | 177.4 | -77.4 | -66.6 | -173.7 | -171.7 | 0 | 113.9 | G50 H193 S309 S310 E315 | K48-G50 PolarHBondContact O-N 2.61Å; K48-H193 PolarHBondContact NZ-O 2.95Å; K48-S309 PolarHBondContact O-OG 3.27Å; K48-S310 VanDerWaalsContact CD-O 3.27Å; K48-S310 WeakPolarHBondContact CD-O 3.43Å; K48-S310 WeakPolarHBondContact CE-O 3.49Å; K48-S310 PolarHBondContact NZ-O 3.45Å; K48-E315 WeakPolarHBondContact CE-OE1 3.37Å; K48-E315 WeakPolarHBondContact CE-OE2 3.46Å; K48-E315 VanDerWaalsContact NZ-CD 3.29Å; K48-E315 IonicContact NZ-OE1 3.89Å; K48-E315 IonicContact NZ-OE2 2.95Å; K48-E315 PolarHBondContact NZ-OE2 3.03Å |
| 49 | D | 87.5 | Confident | 80.5 | Confident | 100 Ų | 100 | 96 Ų | 96 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.2 | 175.8 | 61.1 | 8.3 | 0 | 0 | 0 | 113.6 | K47 H51 | K47-D49 WeakPolarHBondContact CB-OD1 3.5Å; K47-D49 PolarHBondContact O-N 2.87Å; K47-D49 VanDerWaalsContact O-N 3.11Å; D49-H51 WeakPolarHBondContact OD1-CB 3.47Å; D49-H51 IonicContact OD1-CD2 3.56Å; D49-H51 IonicContact OD1-CG 3.04Å; D49-H51 PolarHBondContact OD1-N 2.9Å; D49-H51 IonicContact OD2-CD2 2.72Å; D49-H51 PolarHBondContact OD2-CD2 3.34Å |
| 50 | G | 87.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 92.1 Ų | 92.1 | 3% | 0.031 | 49% | 0.487 | C | S | . | . | S | Bend | trans | 84.5 | 4.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | K47 K48 R308 | K47-G50 WeakPolarHBondContact O-CA 3.48Å; K47-G50 PolarHBondContact O-N 2.9Å; K48-G50 PolarHBondContact O-N 2.61Å; G50-R308 WeakPolarHBondContact CA-O 3.36Å; G50-R308 PolarHBondContact N-O 2.88Å; G50-R308 PolarHBondContact O-NE 2.9Å; G50-R308 PolarHBondContact O-NH2 2.9Å |
| 51 | H | 88.8 | Confident | 82.6 | Confident | 119 Ų | 119 | 89.4 Ų | 89.4 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | trans | -79 | 126.5 | 174.1 | -75.8 | -57.5 | 0 | 0 | 0 | 111.6 | K47 D49 | K47-H51 WeakPolarHBondContact CB-O 3.49Å; K47-H51 PolarHBondContact N-O 3.45Å; D49-H51 WeakPolarHBondContact OD1-CB 3.47Å; D49-H51 IonicContact OD1-CD2 3.56Å; D49-H51 IonicContact OD1-CG 3.04Å; D49-H51 PolarHBondContact OD1-N 2.9Å; D49-H51 IonicContact OD2-CD2 2.72Å; D49-H51 PolarHBondContact OD2-CD2 3.34Å | ||
| 52 | C | 89.8 | Confident | 83.2 | Confident | 72 Ų | 72 | 88.3 Ų | 88.3 | 49% | 0.486 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 128.7 | 175.9 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | V54 | C52-V54 VanDerWaalsContact C-N 3.29Å; C52-V54 PolarHBondContact O-N 2.9Å |
| 53 | N | 89.7 | Confident | 83.5 | Confident | 85 Ų | 85 | 87.6 Ų | 87.6 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | trans | -93.1 | 55.2 | 180 | -170 | 35.5 | 0 | 0 | 0 | 110.9 | R44 F45 | R44-N53 VanDerWaalsContact O-CB 3.29Å; R44-N53 WeakPolarHBondContact O-CB 3.21Å; R44-N53 PolarHBondContact O-ND2 3.41Å; R44-N53 VanDerWaalsContact O-ND2 3.15Å; F45-N53 PolarHBondContact O-N 3.3Å | ||
| 54 | V | 87.6 | Confident | 83.3 | Confident | 63 Ų | 63 | 89 Ų | 89 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | trans | -126.4 | 130.9 | -176.9 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | F45 C52 F56 | F45-V54 HydrophobicContact CD2-CG2 3.63Å; F45-V54 HydrophobicContact CE1-CG2 4.47Å; F45-V54 HydrophobicContact CE2-CG2 3.14Å; F45-V54 HydrophobicContact CG-CG2 4.49Å; F45-V54 HydrophobicContact CZ-CG2 3.62Å; C52-V54 VanDerWaalsContact C-N 3.29Å; C52-V54 PolarHBondContact O-N 2.9Å; V54-F56 HydrophobicContact CG1-CE1 4.32Å; V54-F56 HydrophobicContact CG1-CZ 4.37Å | ||
| 55 | Q | 84.3 | Confident | 82.7 | Confident | 160 Ų | 160 | 94.1 Ų | 94.1 | 75% | 0.748 | 48% | 0.48 | S | S | * | . | trans | -113.5 | 117.1 | 174.5 | -171 | 174.6 | 11.3 | 0 | 0 | 109.8 | I57 | Q55-I57 HydrophobicContact CG-CG2 4.5Å; Q55-I57 PolarHBondContact O-N 3.03Å | ||
| 56 | F | 82.6 | Confident | 81.9 | Confident | 156 Ų | 156 | 97.3 Ų | 97.3 | 68% | 0.684 | 49% | 0.492 | S | S | * | . | trans | -77.8 | 119.9 | 173.2 | -57.3 | -75.2 | 0 | 0 | 0 | 110 | V54 V59 | V54-F56 HydrophobicContact CG1-CE1 4.32Å; V54-F56 HydrophobicContact CG1-CZ 4.37Å; F56-V59 HydrophobicContact CB-CG2 3.88Å | ||
| 57 | I | 83.4 | Confident | 80.8 | Confident | 128 Ų | 128 | 103 Ų | 103 | 66% | 0.656 | 52% | 0.522 | S | S | * | . | trans | -109.6 | 151.4 | 173.8 | 60.5 | 171.1 | 0 | 0 | 0 | 109.9 | Q55 V59 | Q55-I57 HydrophobicContact CG-CG2 4.5Å; Q55-I57 PolarHBondContact O-N 3.03Å; I57-V59 VanDerWaalsContact C-N 3.32Å; I57-V59 PolarHBondContact O-N 3.05Å | ||
| 58 | N | 78.5 | Confident | 80.2 | Confident | 160 Ų | 160 | 102.7 Ų | 102.7 | 86% | 0.856 | 54% | 0.537 | S | S | * | . | trans | 55.1 | 37.1 | 175.9 | -63.5 | -19 | 0 | 0 | 0 | 115.9 | S60 | N58-S60 PolarHBondContact O-N 2.97Š| ||
| 59 | V | 77 | Confident | 79.9 | Confident | 71 Ų | 71 | 103.2 Ų | 103.2 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | trans | -76.8 | 103.7 | 167.8 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | F56 I57 | F56-V59 HydrophobicContact CB-CG2 3.88Å; I57-V59 VanDerWaalsContact C-N 3.32Å; I57-V59 PolarHBondContact O-N 3.05Å | ||
| 60 | S | 66.4 | Low | 79.7 | Confident | 87 Ų | 87 | 103.5 Ų | 103.5 | 61% | 0.608 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 144.5 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | N58 K62 | N58-S60 PolarHBondContact O-N 2.97Å; S60-K62 PolarHBondContact O-N 3.08Å; S60-K62 VanDerWaalsContact O-N 3.15Å |
| 61 | E | 70.7 | Confident | 79.5 | Confident | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.514 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62.4 | 18.6 | 175.9 | -53.9 | 172.8 | 162.7 | 0 | 0 | 116.5 | G63 Q64 R65 | E61-G63 VanDerWaalsContact C-N 3.28Å; E61-G63 PolarHBondContact O-N 2.89Å; E61-Q64 PolarHBondContact O-N 2.83Å; E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 IonicContact OE2-CZ 3.27Å; E61-R65 IonicContact OE2-NE 3.99Å; E61-R65 IonicContact OE2-NH2 3.93Å; E61-R65 PolarHBondContact OE2-NH2 2.86Å |
| 62 | K | 69.7 | Low | 79.4 | Confident | 102 Ų | 102 | 104.8 Ų | 104.8 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -52.3 | -44.6 | 179.7 | -165.4 | 178.4 | -177.8 | 177.6 | 0 | 112.6 | S60 Q64 Y66 | S60-K62 PolarHBondContact O-N 3.08Å; S60-K62 VanDerWaalsContact O-N 3.15Å; K62-Q64 PolarHBondContact O-N 2.9Å; K62-Y66 HydrophobicContact CD-CE2 4.3Å; K62-Y66 HydrophobicContact CG-CD2 3.85Å; K62-Y66 HydrophobicContact CG-CE2 3.52Å; K62-Y66 WeakPolarHBondContact O-CD2 3.38Å; K62-Y66 PolarHBondContact O-N 3.21Å |
| 63 | G | 70.6 | Confident | 79.2 | Confident | 51 Ų | 51 | 103.4 Ų | 103.4 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | E61 Y66 L67 | E61-G63 VanDerWaalsContact C-N 3.28Å; E61-G63 PolarHBondContact O-N 2.89Å; G63-Y66 PolarHBondContact O-N 3.43Å; G63-L67 WeakPolarHBondContact O-CB 3.45Å; G63-L67 VanDerWaalsContact O-CG 3.28Å; G63-L67 WeakPolarHBondContact O-CG 3.43Å; G63-L67 PolarHBondContact O-N 2.97Å |
| 64 | Q | 73.5 | Confident | 79.1 | Confident | 138 Ų | 138 | 100 Ų | 100 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | -178.2 | -77.6 | 177.8 | -21.1 | 0 | 0 | 112.3 | E61 K62 L67 A68 | E61-Q64 PolarHBondContact O-N 2.83Å; K62-Q64 PolarHBondContact O-N 2.9Å; Q64-L67 CarbonylContact O-C 3.6Å; Q64-L67 PolarHBondContact O-N 3.17Å; Q64-A68 PolarHBondContact O-N 3.35Å |
| 65 | R | 76.9 | Confident | 79.1 | Confident | 145 Ų | 145 | 97.1 Ų | 97.1 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 178.9 | -65.5 | -178.8 | -171.6 | -179.6 | 4.4 | 112.5 | E61 A68 D69 | E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 IonicContact OE2-CZ 3.27Å; E61-R65 IonicContact OE2-NE 3.99Å; E61-R65 IonicContact OE2-NH2 3.93Å; E61-R65 PolarHBondContact OE2-NH2 2.86Å; R65-A68 PolarHBondContact O-N 2.93Å; R65-D69 PolarHBondContact O-N 3.37Å |
| 66 | Y | 75.7 | Confident | 79.3 | Confident | 130 Ų | 130 | 94.3 Ų | 94.3 | 51% | 0.51 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.8 | -31.5 | 175 | -79 | -108.7 | 0 | 0 | 0 | 112.1 | K62 G63 D69 T73 | K62-Y66 HydrophobicContact CD-CE2 4.3Å; K62-Y66 HydrophobicContact CG-CD2 3.85Å; K62-Y66 HydrophobicContact CG-CE2 3.52Å; K62-Y66 WeakPolarHBondContact O-CD2 3.38Å; K62-Y66 PolarHBondContact O-N 3.21Å; G63-Y66 PolarHBondContact O-N 3.43Å; Y66-D69 CarbonylContact O-C 3.32Å; Y66-D69 PolarHBondContact O-N 3.34Å; Y66-T73 PolarHBondContact O-OG1 2.91Å |
| 67 | L | 73.1 | Confident | 79.6 | Confident | 124 Ų | 124 | 89 Ų | 89 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -76.9 | -21.1 | 173.5 | -71.3 | 175.6 | 0 | 0 | 0 | 113.7 | G63 Q64 D69 I70 | G63-L67 WeakPolarHBondContact O-CB 3.45Å; G63-L67 VanDerWaalsContact O-CG 3.28Å; G63-L67 WeakPolarHBondContact O-CG 3.43Å; G63-L67 PolarHBondContact O-N 2.97Å; Q64-L67 CarbonylContact O-C 3.6Å; Q64-L67 PolarHBondContact O-N 3.17Å; L67-D69 VanDerWaalsContact C-N 3.27Å; L67-I70 VanDerWaalsContact O-CD1 3.32Å; L67-I70 WeakPolarHBondContact O-CD1 3.44Å; L67-I70 WeakPolarHBondContact O-CG1 3.28Å |
| 68 | A | 79.2 | Confident | 79.9 | Confident | 90 Ų | 90 | 92 Ų | 92 | 74% | 0.744 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -72.1 | -28.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q64 R65 | Q64-A68 PolarHBondContact O-N 3.35Å; R65-A68 PolarHBondContact O-N 2.93Å |
| 69 | D | 85 | Confident | 80.5 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | trans | -112.8 | 61.2 | 179.4 | -163.6 | 3.8 | 0 | 0 | 0 | 112 | R65 Y66 L67 F71 T72 T73 | R65-D69 PolarHBondContact O-N 3.37Å; Y66-D69 CarbonylContact O-C 3.32Å; Y66-D69 PolarHBondContact O-N 3.34Å; L67-D69 VanDerWaalsContact C-N 3.27Å; D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.27Å; D69-T72 PolarHBondContact O-OG1 3.14Å; D69-T72 VanDerWaalsContact OD1-CG2 3.24Å; D69-T72 WeakPolarHBondContact OD1-CG2 3.23Å; D69-T72 PolarHBondContact OD1-N 3.41Å; D69-T72 PolarHBondContact OD1-OG1 3.49Å; D69-T72 WeakPolarHBondContact OD2-CB 3.41Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.39Å; D69-T72 PolarHBondContact OD2-OG1 2.99Å; D69-T73 VanDerWaalsContact O-CB 3.3Å; D69-T73 WeakPolarHBondContact O-CB 3.46Å; D69-T73 PolarHBondContact O-N 3.29Å; D69-T73 VanDerWaalsContact O-N 3.15Å; D69-T73 PolarHBondContact O-OG1 2.99Å | ||
| 70 | I | 83.8 | Confident | 81.3 | Confident | 105 Ų | 105 | 95.9 Ų | 95.9 | 54% | 0.538 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | -177.3 | -72.2 | 158.4 | 0 | 0 | 0 | 111.5 | L67 C74 | L67-I70 VanDerWaalsContact O-CD1 3.32Å; L67-I70 WeakPolarHBondContact O-CD1 3.44Å; L67-I70 WeakPolarHBondContact O-CG1 3.28Å; I70-C74 WeakPolarHBondContact O-CB 3.32Å; I70-C74 PolarHBondContact O-N 3.18Å |
| 71 | F | 84.1 | Confident | 82.5 | Confident | 97 Ų | 97 | 99 Ų | 99 | 43% | 0.425 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -51.1 | -176.1 | -178.8 | -101 | 0 | 0 | 0 | 111.4 | D69 T73 C74 V75 F170 A177 | D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.27Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 3.13Å; F71-C74 PolarHBondContact O-N 2.85Å; F71-V75 HydrophobicContact CE1-CG2 4.17Å; F71-V75 HydrophobicContact CE2-CG2 4.25Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.48Å; F71-V75 PolarHBondContact O-N 3.37Å; F71-F170 HydrophobicContact CD2-CE2 4.22Å; F71-F170 HydrophobicContact CD2-CZ 4.43Å; F71-A177 HydrophobicContact CZ-CB 3.9Å |
| 72 | T | 85.1 | Confident | 83.5 | Confident | 53 Ų | 53 | 93.8 Ų | 93.8 | 33% | 0.325 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.7 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | D69 C74 V75 D76 | D69-T72 PolarHBondContact O-OG1 3.14Å; D69-T72 VanDerWaalsContact OD1-CG2 3.24Å; D69-T72 WeakPolarHBondContact OD1-CG2 3.23Å; D69-T72 PolarHBondContact OD1-N 3.41Å; D69-T72 PolarHBondContact OD1-OG1 3.49Å; D69-T72 WeakPolarHBondContact OD2-CB 3.41Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.39Å; D69-T72 PolarHBondContact OD2-OG1 2.99Å; T72-C74 VanDerWaalsContact C-N 3.35Å; T72-C74 PolarHBondContact O-N 2.99Å; T72-V75 PolarHBondContact O-N 3.31Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T72-D76 WeakPolarHBondContact O-CB 3.29Å; T72-D76 PolarHBondContact O-N 2.81Å |
| 73 | T | 86.7 | Confident | 84.7 | Confident | 43 Ų | 43 | 94.1 Ų | 94.1 | 26% | 0.264 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | Y66 D69 F71 V75 D76 I77 | Y66-T73 PolarHBondContact O-OG1 2.91Å; D69-T73 VanDerWaalsContact O-CB 3.3Å; D69-T73 WeakPolarHBondContact O-CB 3.46Å; D69-T73 PolarHBondContact O-N 3.29Å; D69-T73 VanDerWaalsContact O-N 3.15Å; D69-T73 PolarHBondContact O-OG1 2.99Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 3.13Å; T73-V75 VanDerWaalsContact C-N 3.34Å; T73-V75 PolarHBondContact O-N 3.26Å; T73-D76 PolarHBondContact O-N 3.05Å; T73-I77 WeakPolarHBondContact O-CG2 3.03Å; T73-I77 PolarHBondContact O-N 2.88Å; T73-I77 VanDerWaalsContact O-N 3.13Å |
| 74 | C | 87.1 | Confident | 85.8 | Confident | 12 Ų | 12 | 95.6 Ų | 95.6 | 8% | 0.081 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 176.9 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | I70 F71 T72 I77 | I70-C74 WeakPolarHBondContact O-CB 3.32Å; I70-C74 PolarHBondContact O-N 3.18Å; F71-C74 PolarHBondContact O-N 2.85Å; T72-C74 VanDerWaalsContact C-N 3.35Å; T72-C74 PolarHBondContact O-N 2.99Å; C74-I77 WeakPolarHBondContact O-CG1 3.4Å |
| 75 | V | 88.5 | Confident | 86.7 | Confident | 3 Ų | 3 | 92.9 Ų | 92.9 | 2% | 0.018 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -74.8 | -27.5 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | F71 T72 T73 A177 K178 K181 | F71-V75 HydrophobicContact CE1-CG2 4.17Å; F71-V75 HydrophobicContact CE2-CG2 4.25Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.48Å; F71-V75 PolarHBondContact O-N 3.37Å; T72-V75 PolarHBondContact O-N 3.31Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T73-V75 VanDerWaalsContact C-N 3.34Å; T73-V75 PolarHBondContact O-N 3.26Å; V75-A177 HydrophobicContact CG1-CB 4.49Å; V75-A177 HydrophobicContact CG2-CB 4.14Å; V75-K178 HydrophobicContact CG1-CB 4.02Å; V75-K178 HydrophobicContact CG1-CG 4.46Å; V75-K178 PolarHBondContact O-NZ 3.41Å; V75-K181 HydrophobicContact CG1-CD 3.7Å; V75-K181 VanDerWaalsContact CG1-CE 3.4Å; V75-K181 HydrophobicContact CG1-CG 4.39Å |
| 76 | D | 86.8 | Confident | 87.5 | Confident | 102 Ų | 102 | 86.6 Ų | 86.6 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -86.8 | -25 | -178 | -80.1 | -33.8 | 0 | 0 | 0 | 115.5 | T72 T73 K181 | T72-D76 WeakPolarHBondContact O-CB 3.29Å; T72-D76 PolarHBondContact O-N 2.81Å; T73-D76 PolarHBondContact O-N 3.05Å; D76-K181 IonicContact OD1-NZ 3.45Å; D76-K181 PolarHBondContact OD1-NZ 3.39Å; D76-K181 IonicContact OD2-NZ 3.6Å; D76-K181 PolarHBondContact OD2-NZ 3.45Å |
| 77 | I | 88.7 | Confident | 88.4 | Confident | 44 Ų | 44 | 84 Ų | 84 | 23% | 0.226 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -59.1 | 158.2 | 175.5 | 53 | 166.6 | 0 | 0 | 0 | 112.5 | T73 C74 W81 M82 I85 K178 | T73-I77 WeakPolarHBondContact O-CG2 3.03Å; T73-I77 PolarHBondContact O-N 2.88Å; T73-I77 VanDerWaalsContact O-N 3.13Å; C74-I77 WeakPolarHBondContact O-CG1 3.4Å; I77-W81 HydrophobicContact CD1-CB 4.21Å; I77-M82 HydrophobicContact CD1-CB 3.91Å; I77-M82 HydrophobicContact CD1-CG 4.45Å; I77-M82 HydrophobicContact CG1-CB 4.25Å; I77-I85 HydrophobicContact CD1-CD1 3.53Å; I77-K178 VanDerWaalsContact O-CE 3.3Å; I77-K178 WeakPolarHBondContact O-CE 3.34Å; I77-K178 PolarHBondContact O-NZ 3.19Å |
| 78 | R | 90.8 | Very high | 89.5 | Confident | 192 Ų | 192 | 82.5 Ų | 82.5 | 73% | 0.725 | 40% | 0.404 | S | S | * | . | trans | -64.1 | 148.1 | 177.7 | -59.6 | -178.9 | -175.7 | 156.1 | -0.4 | 110.5 | R80 W81 M82 | R78-R80 PolarHBondContact O-N 3.27Å; R78-R80 VanDerWaalsContact O-N 3.11Å; R78-W81 PolarHBondContact O-N 3.49Å; R78-M82 PolarHBondContact O-N 2.9Å; R78-M82 VanDerWaalsContact O-N 3.09Å | ||
| 79 | W | 91.2 | Very high | 90.2 | Very high | 105 Ų | 105 | 80 Ų | 80 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -46.7 | -44.2 | 178.1 | -80.6 | 102.2 | 0 | 0 | 0 | 113.7 | W81 M82 F83 V175 K178 M179 | W79-W81 VanDerWaalsContact C-N 3.33Å; W79-W81 PolarHBondContact O-N 2.92Å; W79-M82 HydrophobicContact CD2-CE 4.34Å; W79-M82 HydrophobicContact CE3-CE 3.37Å; W79-M82 HydrophobicContact CH2-CE 4.03Å; W79-M82 HydrophobicContact CZ3-CE 3.19Å; W79-M82 PolarHBondContact O-N 2.87Å; W79-F83 HydrophobicContact CB-CD2 4.48Å; W79-F83 HydrophobicContact CB-CE2 4.27Å; W79-F83 HydrophobicContact CD2-CE2 4.44Å; W79-F83 HydrophobicContact CE3-CD2 4.4Å; W79-F83 AromaticContact CE3-CE2 3.58Å; W79-F83 HydrophobicContact CE3-CE2 3.58Å; W79-F83 AromaticContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CZ3-CE2 4.32Å; W79-F83 AromaticContact CZ3-CZ 3.94Å; W79-F83 HydrophobicContact CZ3-CZ 3.94Å; W79-F83 WeakPolarHBondContact O-CD2 3.45Å; W79-F83 PolarHBondContact O-N 3.04Å; W79-V175 HydrophobicContact CH2-CG1 4.35Å; W79-V175 HydrophobicContact CZ3-CG1 4.48Å; W79-K178 HydrophobicContact CD2-CD 3.98Å; W79-K178 HydrophobicContact CE3-CD 4.23Å; W79-K178 HydrophobicContact CH2-CB 4.35Å; W79-K178 HydrophobicContact CH2-CD 4.08Å; W79-K178 HydrophobicContact CH2-CG 4.2Å; W79-K178 HydrophobicContact CZ2-CB 4.29Å; W79-K178 HydrophobicContact CZ2-CD 3.82Å; W79-K178 HydrophobicContact CZ2-CG 3.74Å; W79-K178 HydrophobicContact CZ3-CD 4.29Å; W79-M179 HydrophobicContact CH2-CG 3.72Å; W79-M179 HydrophobicContact CZ2-CG 4.01Å |
| 80 | R | 93.3 | Very high | 90.7 | Very high | 206 Ų | 206 | 78.7 Ų | 78.7 | 78% | 0.777 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55 | -46.6 | 178.4 | -66.2 | -177.1 | 174.1 | 104.7 | -0.1 | 112.6 | R78 V84 | R78-R80 PolarHBondContact O-N 3.27Å; R78-R80 VanDerWaalsContact O-N 3.11Å; R80-V84 VanDerWaalsContact O-CG2 3.29Å; R80-V84 WeakPolarHBondContact O-CG2 3.48Å; R80-V84 PolarHBondContact O-N 2.99Å; R80-V84 VanDerWaalsContact O-N 3.11Å |
| 81 | W | 92.6 | Very high | 91.2 | Very high | 154 Ų | 154 | 77.6 Ų | 77.6 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -73.1 | -35 | 180 | -67 | 116.2 | 0 | 0 | 0 | 112.1 | I77 R78 W79 V84 I85 | I77-W81 HydrophobicContact CD1-CB 4.21Å; R78-W81 PolarHBondContact O-N 3.49Å; W79-W81 VanDerWaalsContact C-N 3.33Å; W79-W81 PolarHBondContact O-N 2.92Å; W81-V84 PolarHBondContact O-N 3.25Å; W81-I85 VanDerWaalsContact O-CG1 3.32Å; W81-I85 WeakPolarHBondContact O-CG1 3.29Å; W81-I85 PolarHBondContact O-N 3.08Å |
| 82 | M | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 175 | -168 | -175.3 | 73.9 | 0 | 0 | 111.2 | I77 R78 W79 V84 I85 F86 V175 K178 | I77-M82 HydrophobicContact CD1-CB 3.91Å; I77-M82 HydrophobicContact CD1-CG 4.45Å; I77-M82 HydrophobicContact CG1-CB 4.25Å; R78-M82 PolarHBondContact O-N 2.9Å; R78-M82 VanDerWaalsContact O-N 3.09Å; W79-M82 HydrophobicContact CD2-CE 4.34Å; W79-M82 HydrophobicContact CE3-CE 3.37Å; W79-M82 HydrophobicContact CH2-CE 4.03Å; W79-M82 HydrophobicContact CZ3-CE 3.19Å; W79-M82 PolarHBondContact O-N 2.87Å; M82-V84 PolarHBondContact O-N 3.08Å; M82-I85 PolarHBondContact O-N 2.6Å; M82-F86 HydrophobicContact CE-CE2 3.75Å; M82-F86 HydrophobicContact CE-CZ 4.48Å; M82-F86 HydrophobicContact CG-CD2 4.13Å; M82-F86 HydrophobicContact CG-CE1 4.3Å; M82-F86 HydrophobicContact CG-CE2 3.47Å; M82-F86 VanDerWaalsContact CG-CE2 3.47Å; M82-F86 HydrophobicContact CG-CZ 3.56Å; M82-F86 WeakPolarHBondContact O-CG 3.31Å; M82-F86 PolarHBondContact O-N 2.69Å; M82-F86 HydrophobicContact SD-CE2 3.78Å; M82-F86 HydrophobicContact SD-CZ 3.93Å; M82-V175 HydrophobicContact CE-CG2 3.9Å; M82-K178 HydrophobicContact CE-CD 3.74Å; M82-K178 HydrophobicContact SD-CB 4.42Å; M82-K178 HydrophobicContact SD-CD 3.34Å; M82-K178 WeakPolarHBondContact SD-CD 3.35Å |
| 83 | F | 92.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 75.8 Ų | 75.8 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.5 | -73.2 | -58.5 | 0 | 0 | 0 | 112.4 | W79 I85 F86 C87 | W79-F83 HydrophobicContact CB-CD2 4.48Å; W79-F83 HydrophobicContact CB-CE2 4.27Å; W79-F83 HydrophobicContact CD2-CE2 4.44Å; W79-F83 HydrophobicContact CE3-CD2 4.4Å; W79-F83 AromaticContact CE3-CE2 3.58Å; W79-F83 HydrophobicContact CE3-CE2 3.58Å; W79-F83 AromaticContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CZ3-CE2 4.32Å; W79-F83 AromaticContact CZ3-CZ 3.94Å; W79-F83 HydrophobicContact CZ3-CZ 3.94Å; W79-F83 WeakPolarHBondContact O-CD2 3.45Å; W79-F83 PolarHBondContact O-N 3.04Å; F83-I85 VanDerWaalsContact C-N 3.33Å; F83-I85 PolarHBondContact O-N 3.26Å; F83-F86 PolarHBondContact O-N 2.7Å; F83-C87 WeakPolarHBondContact O-CB 3.39Å; F83-C87 PolarHBondContact O-N 2.96Å; F83-C87 PolarHBondContact O-SG 3.36Å |
| 84 | V | 94.7 | Very high | 92.8 | Very high | 82 Ų | 82 | 76.1 Ų | 76.1 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | R80 W81 M82 L88 | R80-V84 VanDerWaalsContact O-CG2 3.29Å; R80-V84 WeakPolarHBondContact O-CG2 3.48Å; R80-V84 PolarHBondContact O-N 2.99Å; R80-V84 VanDerWaalsContact O-N 3.11Å; W81-V84 PolarHBondContact O-N 3.25Å; M82-V84 PolarHBondContact O-N 3.08Å; V84-L88 VanDerWaalsContact O-CB 3.27Å; V84-L88 WeakPolarHBondContact O-CB 3.42Å; V84-L88 PolarHBondContact O-N 3.23Å |
| 85 | I | 92.5 | Very high | 93.3 | Very high | 82 Ų | 82 | 78.9 Ų | 78.9 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 178 | -69.9 | 168.3 | 0 | 0 | 0 | 111.1 | I77 W81 M82 F83 L88 A89 | I77-I85 HydrophobicContact CD1-CD1 3.53Å; W81-I85 VanDerWaalsContact O-CG1 3.32Å; W81-I85 WeakPolarHBondContact O-CG1 3.29Å; W81-I85 PolarHBondContact O-N 3.08Å; M82-I85 PolarHBondContact O-N 2.6Å; F83-I85 VanDerWaalsContact C-N 3.33Å; F83-I85 PolarHBondContact O-N 3.26Å; I85-L88 PolarHBondContact O-N 3.08Å; I85-A89 WeakPolarHBondContact O-CB 3.48Å; I85-A89 PolarHBondContact O-N 3.42Å |
| 86 | F | 93.7 | Very high | 93.7 | Very high | 13 Ų | 13 | 84.4 Ų | 84.4 | 6% | 0.057 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67 | -43.7 | 178.1 | -63.7 | -22.2 | 0 | 0 | 0 | 112.7 | M82 F83 L88 A89 F90 I171 A174 V175 | M82-F86 HydrophobicContact CE-CE2 3.75Å; M82-F86 HydrophobicContact CE-CZ 4.48Å; M82-F86 HydrophobicContact CG-CD2 4.13Å; M82-F86 HydrophobicContact CG-CE1 4.3Å; M82-F86 HydrophobicContact CG-CE2 3.47Å; M82-F86 VanDerWaalsContact CG-CE2 3.47Å; M82-F86 HydrophobicContact CG-CZ 3.56Å; M82-F86 WeakPolarHBondContact O-CG 3.31Å; M82-F86 PolarHBondContact O-N 2.69Å; M82-F86 HydrophobicContact SD-CE2 3.78Å; M82-F86 HydrophobicContact SD-CZ 3.93Å; F83-F86 PolarHBondContact O-N 2.7Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 PolarHBondContact O-N 3.23Å; F86-A89 PolarHBondContact O-N 3.49Å; F86-F90 WeakPolarHBondContact O-CD2 3.36Å; F86-F90 PolarHBondContact O-N 2.96Å; F86-I171 HydrophobicContact CB-CD1 4.06Å; F86-I171 HydrophobicContact CB-CG1 4.33Å; F86-I171 HydrophobicContact CD1-CD1 4.3Å; F86-I171 HydrophobicContact CD1-CG1 3.73Å; F86-I171 HydrophobicContact CD2-CG1 4.29Å; F86-I171 HydrophobicContact CD2-CG2 3.79Å; F86-I171 HydrophobicContact CE1-CG1 4.05Å; F86-I171 HydrophobicContact CE2-CG2 3.96Å; F86-I171 HydrophobicContact CG-CD1 4.17Å; F86-I171 HydrophobicContact CG-CG1 3.88Å; F86-I171 HydrophobicContact CG-CG2 4.2Å; F86-I171 HydrophobicContact CZ-CG1 4.46Å; F86-A174 HydrophobicContact CE1-CB 4.49Å; F86-A174 HydrophobicContact CZ-CB 3.75Å; F86-V175 HydrophobicContact CD2-CG2 4.49Å; F86-V175 HydrophobicContact CE2-CG2 3.77Å |
| 87 | C | 94.8 | Very high | 94.1 | Very high | 74 Ų | 74 | 79.8 Ų | 79.8 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 173.2 | -70.1 | 0 | 0 | 0 | 0 | 111.2 | F83 F90 L91 | F83-C87 WeakPolarHBondContact O-CB 3.39Å; F83-C87 PolarHBondContact O-N 2.96Å; F83-C87 PolarHBondContact O-SG 3.36Å; C87-F90 PolarHBondContact O-N 2.99Å; C87-L91 WeakPolarHBondContact O-CB 3.29Å; C87-L91 VanDerWaalsContact O-CG 3.27Å; C87-L91 WeakPolarHBondContact O-CG 3.34Å; C87-L91 PolarHBondContact O-N 3.17Å |
| 88 | L | 95.3 | Very high | 94.5 | Very high | 93 Ų | 93 | 77.7 Ų | 77.7 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.3 | -174.9 | 64.9 | 0 | 0 | 0 | 111.8 | V84 I85 F86 L91 L92 | V84-L88 VanDerWaalsContact O-CB 3.27Å; V84-L88 WeakPolarHBondContact O-CB 3.42Å; V84-L88 PolarHBondContact O-N 3.23Å; I85-L88 PolarHBondContact O-N 3.08Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 PolarHBondContact O-N 3.23Å; L88-L91 PolarHBondContact O-N 2.82Å; L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CD2-CD1 4.39Å; L88-L92 HydrophobicContact CG-CD1 3.8Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 VanDerWaalsContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CB 3.13Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 3.49Å |
| 89 | A | 94.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 71.1 Ų | 71.1 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I85 F86 S93 | I85-A89 WeakPolarHBondContact O-CB 3.48Å; I85-A89 PolarHBondContact O-N 3.42Å; F86-A89 PolarHBondContact O-N 3.49Å; A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.25Å; A89-S93 PolarHBondContact O-OG 3.11Å |
| 90 | F | 95.1 | Very high | 94.9 | Very high | 46 Ų | 46 | 67.3 Ų | 67.3 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 173.3 | -78 | -57.4 | 0 | 0 | 0 | 112.2 | F86 C87 L92 S93 W94 I167 D168 I171 | F86-F90 WeakPolarHBondContact O-CD2 3.36Å; F86-F90 PolarHBondContact O-N 2.96Å; C87-F90 PolarHBondContact O-N 2.99Å; F90-L92 VanDerWaalsContact C-N 3.33Å; F90-L92 PolarHBondContact O-N 3.09Å; F90-S93 WeakPolarHBondContact CA-OG 3.23Å; F90-S93 PolarHBondContact O-N 3.02Å; F90-S93 PolarHBondContact O-OG 2.75Å; F90-W94 HydrophobicContact CB-CD2 4.41Å; F90-W94 HydrophobicContact CB-CH2 4.05Å; F90-W94 HydrophobicContact CB-CZ2 3.84Å; F90-W94 HydrophobicContact CB-CZ3 4.42Å; F90-W94 HydrophobicContact CD1-CZ2 4.13Å; F90-W94 HydrophobicContact CG-CZ2 4.14Å; F90-W94 WeakPolarHBondContact O-CB 3.3Å; F90-W94 VanDerWaalsContact O-CD2 3.32Å; F90-W94 PolarHBondContact O-N 3.3Å; F90-I167 HydrophobicContact CD1-CG2 4.2Å; F90-I167 HydrophobicContact CE1-CG2 3.82Å; F90-I167 HydrophobicContact CZ-CG2 4.23Å; F90-D168 VanDerWaalsContact CE1-OD1 3.28Å; F90-D168 WeakPolarHBondContact CE1-OD1 3.33Å; F90-D168 VanDerWaalsContact CZ-OD1 3.23Å; F90-D168 WeakPolarHBondContact CZ-OD1 3.38Å; F90-I171 HydrophobicContact CD2-CD1 4.01Å; F90-I171 HydrophobicContact CE1-CD1 4.27Å; F90-I171 HydrophobicContact CE2-CD1 3.23Å; F90-I171 HydrophobicContact CZ-CD1 3.39Å |
| 91 | L | 95.9 | Very high | 94.9 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 179.6 | -73.3 | 170.6 | 0 | 0 | 0 | 112.1 | C87 L88 W94 L95 | C87-L91 WeakPolarHBondContact O-CB 3.29Å; C87-L91 VanDerWaalsContact O-CG 3.27Å; C87-L91 WeakPolarHBondContact O-CG 3.34Å; C87-L91 PolarHBondContact O-N 3.17Å; L88-L91 PolarHBondContact O-N 2.82Å; L91-W94 HydrophobicContact CD2-CE3 4.04Å; L91-W94 HydrophobicContact CD2-CZ3 4.12Å; L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 2.73Å |
| 92 | L | 96.4 | Very high | 94.9 | Very high | 99 Ų | 99 | 54.1 Ų | 54.1 | 52% | 0.518 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 178.7 | -71.7 | 175.7 | 0 | 0 | 0 | 112.1 | L88 F90 F96 | L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CD2-CD1 4.39Å; L88-L92 HydrophobicContact CG-CD1 3.8Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 VanDerWaalsContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CB 3.13Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 3.49Å; F90-L92 VanDerWaalsContact C-N 3.33Å; F90-L92 PolarHBondContact O-N 3.09Å; L92-F96 VanDerWaalsContact O-CB 3.25Å; L92-F96 WeakPolarHBondContact O-CB 3.41Å; L92-F96 PolarHBondContact O-N 3.44Å |
| 93 | S | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 175.5 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | A89 F90 L95 F96 F97 Q136 | A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.25Å; A89-S93 PolarHBondContact O-OG 3.11Å; F90-S93 WeakPolarHBondContact CA-OG 3.23Å; F90-S93 PolarHBondContact O-N 3.02Å; F90-S93 PolarHBondContact O-OG 2.75Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 2.95Å; S93-F96 PolarHBondContact O-N 2.92Å; S93-F97 VanDerWaalsContact O-CD2 3.3Å; S93-F97 WeakPolarHBondContact O-CD2 3.48Å; S93-F97 PolarHBondContact O-N 3.12Å; S93-Q136 PolarHBondContact OG-NE2 3.4Å |
| 94 | W | 96.9 | Very high | 94.7 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.5 | -61.1 | -22.9 | 0 | 0 | 0 | 112.5 | F90 L91 G98 F129 S132 I133 T137 | F90-W94 HydrophobicContact CB-CD2 4.41Å; F90-W94 HydrophobicContact CB-CH2 4.05Å; F90-W94 HydrophobicContact CB-CZ2 3.84Å; F90-W94 HydrophobicContact CB-CZ3 4.42Å; F90-W94 HydrophobicContact CD1-CZ2 4.13Å; F90-W94 HydrophobicContact CG-CZ2 4.14Å; F90-W94 WeakPolarHBondContact O-CB 3.3Å; F90-W94 VanDerWaalsContact O-CD2 3.32Å; F90-W94 PolarHBondContact O-N 3.3Å; L91-W94 HydrophobicContact CD2-CE3 4.04Å; L91-W94 HydrophobicContact CD2-CZ3 4.12Å; W94-G98 WeakPolarHBondContact O-CA 3.38Å; W94-G98 PolarHBondContact O-N 2.83Å; W94-F129 HydrophobicContact CB-CD2 4.37Å; W94-F129 HydrophobicContact CB-CE2 3.67Å; W94-F129 HydrophobicContact CB-CZ 4.39Å; W94-S132 PolarHBondContact O-OG 2.94Å; W94-I133 HydrophobicContact CB-CG1 4.01Å; W94-I133 HydrophobicContact CD2-CG1 3.77Å; W94-I133 HydrophobicContact CE3-CD1 4.21Å; W94-I133 HydrophobicContact CE3-CG1 3.92Å; W94-I133 HydrophobicContact CG-CG1 3.81Å; W94-T137 HydrophobicContact CZ2-CG2 3.71Å |
| 95 | L | 96.8 | Very high | 94.4 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.5 | -75.9 | 170.5 | 0 | 0 | 0 | 111.5 | L91 S93 G98 C99 F125 F129 | L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 2.73Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 2.95Å; L95-G98 PolarHBondContact O-N 3.09Å; L95-C99 WeakPolarHBondContact O-CB 3.23Å; L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 PolarHBondContact O-SG 2.94Å; L95-F125 HydrophobicContact CD2-CE1 4.35Å; L95-F125 HydrophobicContact CD2-CZ 4.27Å; L95-F129 HydrophobicContact CD2-CD2 3.87Å; L95-F129 HydrophobicContact CD2-CE2 3.69Å; L95-F129 HydrophobicContact CD2-CZ 4.44Å; L95-F129 HydrophobicContact CG-CD2 4.4Å; L95-F129 HydrophobicContact CG-CE2 3.88Å |
| 96 | F | 96.7 | Very high | 94.2 | Very high | 119 Ų | 119 | 50.3 Ų | 50.3 | 52% | 0.522 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -53.8 | 177.9 | 173.7 | -99.5 | 0 | 0 | 0 | 111.3 | L92 S93 G98 C99 V100 | L92-F96 VanDerWaalsContact O-CB 3.25Å; L92-F96 WeakPolarHBondContact O-CB 3.41Å; L92-F96 PolarHBondContact O-N 3.44Å; S93-F96 PolarHBondContact O-N 2.92Å; F96-G98 PolarHBondContact O-N 3.17Å; F96-C99 WeakPolarHBondContact O-CB 3.5Å; F96-C99 PolarHBondContact O-N 3.09Å; F96-V100 HydrophobicContact CE1-CG2 4.19Å; F96-V100 HydrophobicContact CE2-CG2 4.41Å; F96-V100 HydrophobicContact CZ-CG2 4.11Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å |
| 97 | F | 96.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 178.9 | -76.9 | -70.1 | 0 | 0 | 0 | 112.5 | S93 C99 V100 F101 S132 F159 Q160 V163 | S93-F97 VanDerWaalsContact O-CD2 3.3Å; S93-F97 WeakPolarHBondContact O-CD2 3.48Å; S93-F97 PolarHBondContact O-N 3.12Å; F97-C99 PolarHBondContact O-N 3.44Å; F97-V100 PolarHBondContact O-N 2.98Å; F97-V100 VanDerWaalsContact O-N 3.17Å; F97-F101 HydrophobicContact CB-CE2 4.28Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; F97-F101 PolarHBondContact O-N 2.99Å; F97-S132 VanDerWaalsContact CB-OG 3.29Å; F97-S132 WeakPolarHBondContact CB-OG 3.29Å; F97-F159 AromaticContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CE1 4.2Å; F97-F159 AromaticContact CZ-CD1 3.81Å; F97-F159 HydrophobicContact CZ-CD1 3.81Å; F97-F159 AromaticContact CZ-CE1 3.93Å; F97-F159 HydrophobicContact CZ-CE1 3.93Å; F97-Q160 HydrophobicContact CB-CG 4.37Å; F97-Q160 HydrophobicContact CD1-CB 3.77Å; F97-Q160 HydrophobicContact CD1-CG 3.96Å; F97-Q160 HydrophobicContact CD2-CB 4.29Å; F97-Q160 HydrophobicContact CD2-CG 3.72Å; F97-Q160 HydrophobicContact CE1-CB 3.63Å; F97-Q160 HydrophobicContact CE1-CG 4.14Å; F97-Q160 HydrophobicContact CE2-CB 4.18Å; F97-Q160 HydrophobicContact CE2-CG 3.92Å; F97-Q160 HydrophobicContact CG-CB 4.11Å; F97-Q160 HydrophobicContact CG-CG 3.75Å; F97-Q160 HydrophobicContact CZ-CB 3.86Å; F97-Q160 HydrophobicContact CZ-CG 4.14Å; F97-V163 HydrophobicContact CE2-CB 4.32Å; F97-V163 HydrophobicContact CE2-CG1 4.14Å; F97-V163 HydrophobicContact CZ-CB 4.29Å; F97-V163 HydrophobicContact CZ-CG1 4.49Å; F97-V163 HydrophobicContact CZ-CG2 4.38Å |
| 98 | G | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W94 L95 F96 W102 A128 S132 | W94-G98 WeakPolarHBondContact O-CA 3.38Å; W94-G98 PolarHBondContact O-N 2.83Å; L95-G98 PolarHBondContact O-N 3.09Å; F96-G98 PolarHBondContact O-N 3.17Å; G98-W102 WeakPolarHBondContact O-CB 3.42Å; G98-W102 PolarHBondContact O-N 2.81Å; G98-A128 WeakPolarHBondContact O-CB 3.13Å; G98-S132 PolarHBondContact N-OG 3.16Å |
| 99 | C | 95.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 171.5 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | L95 F96 F97 W102 L103 F125 | L95-C99 WeakPolarHBondContact O-CB 3.23Å; L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 PolarHBondContact O-SG 2.94Å; F96-C99 WeakPolarHBondContact O-CB 3.5Å; F96-C99 PolarHBondContact O-N 3.09Å; F97-C99 PolarHBondContact O-N 3.44Å; C99-W102 PolarHBondContact O-N 3.46Å; C99-L103 WeakPolarHBondContact O-CB 3.47Å; C99-L103 VanDerWaalsContact O-CG 3.28Å; C99-L103 WeakPolarHBondContact O-CG 3.47Å; C99-L103 PolarHBondContact O-N 3.01Å; C99-F125 HydrophobicContact CB-CE2 4.47Å; C99-F125 VanDerWaalsContact SG-CE2 3.56Å |
| 100 | V | 94.5 | Very high | 91.8 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | F96 F97 W102 L103 V104 M156 | F96-V100 HydrophobicContact CE1-CG2 4.19Å; F96-V100 HydrophobicContact CE2-CG2 4.41Å; F96-V100 HydrophobicContact CZ-CG2 4.11Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å; F97-V100 PolarHBondContact O-N 2.98Å; F97-V100 VanDerWaalsContact O-N 3.17Å; V100-W102 PolarHBondContact O-N 3.24Å; V100-L103 PolarHBondContact O-N 2.81Å; V100-V104 HydrophobicContact CG1-CG2 4.5Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 2.8Å; V100-M156 HydrophobicContact CG1-CE 4.24Å; V100-M156 HydrophobicContact CG1-CG 3.97Å; V100-M156 HydrophobicContact CG1-SD 3.89Å |
| 101 | F | 93.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 177.8 | -70.9 | -61.3 | 0 | 0 | 0 | 112.9 | F97 L103 V104 A105 V119 A128 F131 M156 V157 | F97-F101 HydrophobicContact CB-CE2 4.28Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; F97-F101 PolarHBondContact O-N 2.99Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-V104 PolarHBondContact O-N 3.15Å; F101-A105 WeakPolarHBondContact O-CB 3.35Å; F101-A105 PolarHBondContact O-N 2.88Å; F101-V119 HydrophobicContact CD1-CG2 4.4Å; F101-A128 HydrophobicContact CB-CB 4.47Å; F101-F131 HydrophobicContact CB-CD1 4.5Å; F101-F131 HydrophobicContact CD1-CD1 4.26Å; F101-F131 AromaticContact CD1-CE1 3.93Å; F101-F131 HydrophobicContact CD1-CE1 3.93Å; F101-F131 AromaticContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CE1 4.09Å; F101-F131 HydrophobicContact CE1-CD1 4.47Å; F101-F131 AromaticContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE2-CD1 4.08Å; F101-F131 AromaticContact CE2-CE1 3.97Å; F101-F131 HydrophobicContact CE2-CE1 3.97Å; F101-F131 AromaticContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CE1 4.09Å; F101-F131 HydrophobicContact CZ-CD1 4.39Å; F101-F131 AromaticContact CZ-CE1 3.83Å; F101-F131 HydrophobicContact CZ-CE1 3.83Å; F101-M156 HydrophobicContact CE1-CB 3.9Å; F101-M156 HydrophobicContact CZ-CB 4.14Å; F101-V157 HydrophobicContact CE1-CG2 4.01Å; F101-V157 HydrophobicContact CZ-CG2 3.86Å |
| 102 | W | 92.8 | Very high | 89.4 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 31% | 0.307 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 172.5 | 165.9 | -69.9 | 0 | 0 | 0 | 111.4 | G98 C99 V100 A105 I106 S124 F125 A128 | G98-W102 WeakPolarHBondContact O-CB 3.42Å; G98-W102 PolarHBondContact O-N 2.81Å; C99-W102 PolarHBondContact O-N 3.46Å; V100-W102 PolarHBondContact O-N 3.24Å; W102-A105 PolarHBondContact O-N 2.79Å; W102-I106 HydrophobicContact CD2-CD1 4.4Å; W102-I106 HydrophobicContact CG-CD1 4.4Å; W102-I106 HydrophobicContact CZ2-CD1 4.36Å; W102-I106 WeakPolarHBondContact O-CG1 3.48Å; W102-I106 PolarHBondContact O-N 2.88Å; W102-S124 VanDerWaalsContact CE3-C 3.41Å; W102-F125 HydrophobicContact CB-CD2 4.18Å; W102-F125 HydrophobicContact CD2-CB 3.98Å; W102-F125 AromaticContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CG 4.4Å; W102-F125 HydrophobicContact CE3-CB 3.37Å; W102-F125 HydrophobicContact CE3-CD2 4Å; W102-F125 HydrophobicContact CE3-CG 4.2Å; W102-F125 HydrophobicContact CG-CD2 4.04Å; W102-F125 HydrophobicContact CH2-CB 3.62Å; W102-F125 HydrophobicContact CZ2-CB 4.24Å; W102-F125 HydrophobicContact CZ3-CB 3.25Å; W102-F125 HydrophobicContact CZ3-CG 4.43Å; W102-A128 HydrophobicContact CB-CB 3.79Å |
| 103 | L | 91.8 | Very high | 87.9 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 44% | 0.44 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.8 | -73.4 | 174.1 | 0 | 0 | 0 | 111.5 | C99 V100 F101 A105 I106 F107 | C99-L103 WeakPolarHBondContact O-CB 3.47Å; C99-L103 VanDerWaalsContact O-CG 3.28Å; C99-L103 WeakPolarHBondContact O-CG 3.47Å; C99-L103 PolarHBondContact O-N 3.01Å; V100-L103 PolarHBondContact O-N 2.81Å; F101-L103 VanDerWaalsContact C-N 3.34Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 2.83Å; L103-I106 PolarHBondContact O-N 2.93Å; L103-F107 HydrophobicContact CB-CD2 4.29Å; L103-F107 HydrophobicContact CB-CE2 4.24Å; L103-F107 HydrophobicContact CD2-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CB 3.45Å; L103-F107 WeakPolarHBondContact O-CD2 3.31Å; L103-F107 PolarHBondContact O-N 3.12Å |
| 104 | V | 89.9 | Confident | 86.4 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V100 F101 I106 F107 H108 C118 V152 A153 | V100-V104 HydrophobicContact CG1-CG2 4.5Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 2.8Å; F101-V104 PolarHBondContact O-N 3.15Å; V104-I106 PolarHBondContact O-N 3.08Å; V104-F107 PolarHBondContact O-N 2.86Å; V104-H108 WeakPolarHBondContact O-CB 3.21Å; V104-H108 PolarHBondContact O-N 3.15Å; V104-C118 HydrophobicContact CG1-CB 4.3Å; V104-V152 HydrophobicContact CG2-CG1 4.39Å; V104-A153 HydrophobicContact CG1-CB 4.41Å |
| 105 | A | 88.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F101 W102 L103 G109 D110 L111 V122 | F101-A105 WeakPolarHBondContact O-CB 3.35Å; F101-A105 PolarHBondContact O-N 2.88Å; W102-A105 PolarHBondContact O-N 2.79Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 2.83Å; A105-G109 PolarHBondContact O-N 3.22Å; A105-G109 VanDerWaalsContact O-N 3.14Å; A105-D110 HydrophobicContact CB-CB 4.15Å; A105-D110 PolarHBondContact O-N 2.86Å; A105-L111 HydrophobicContact CB-CD1 4.2Å; A105-V122 HydrophobicContact CB-CG1 4.48Å |
| 106 | I | 87.9 | Confident | 83.6 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 41% | 0.41 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 176.4 | -72.2 | -179.9 | 0 | 0 | 0 | 111.6 | W102 L103 V104 H108 G109 | W102-I106 HydrophobicContact CD2-CD1 4.4Å; W102-I106 HydrophobicContact CG-CD1 4.4Å; W102-I106 HydrophobicContact CZ2-CD1 4.36Å; W102-I106 WeakPolarHBondContact O-CG1 3.48Å; W102-I106 PolarHBondContact O-N 2.88Å; L103-I106 PolarHBondContact O-N 2.93Å; V104-I106 PolarHBondContact O-N 3.08Å; I106-H108 VanDerWaalsContact C-N 3.28Å; I106-H108 PolarHBondContact O-N 3.48Å; I106-G109 PolarHBondContact O-N 3.28Å |
| 107 | F | 86.6 | Confident | 82.9 | Confident | 177 Ų | 177 | 68.1 Ų | 68.1 | 78% | 0.776 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.1 | -30.3 | -177.5 | -77.4 | -58.9 | 0 | 0 | 0 | 112.8 | L103 V104 | L103-F107 HydrophobicContact CB-CD2 4.29Å; L103-F107 HydrophobicContact CB-CE2 4.24Å; L103-F107 HydrophobicContact CD2-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CB 3.45Å; L103-F107 WeakPolarHBondContact O-CD2 3.31Å; L103-F107 PolarHBondContact O-N 3.12Å; V104-F107 PolarHBondContact O-N 2.86Å |
| 108 | H | 84 | Confident | 82.4 | Confident | 93 Ų | 93 | 68 Ų | 68 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -78.8 | -23 | 174.9 | -165 | -104.1 | 0 | 0 | 0 | 113 | V104 I106 D110 Q116 C118 | V104-H108 WeakPolarHBondContact O-CB 3.21Å; V104-H108 PolarHBondContact O-N 3.15Å; I106-H108 VanDerWaalsContact C-N 3.28Å; I106-H108 PolarHBondContact O-N 3.48Å; H108-D110 IonicContact CE1-OD1 3.7Å; H108-D110 IonicContact CG-OD1 3.48Å; H108-D110 IonicContact ND1-OD1 3.84Å; H108-D110 PolarHBondContact ND1-OD1 2.93Å; H108-Q116 PolarHBondContact CE1-O 3.05Å; H108-Q116 VanDerWaalsContact CE1-O 3.26Å; H108-C118 VanDerWaalsContact CB-SG 3.58Å; H108-C118 VanDerWaalsContact CD2-SG 3.54Å |
| 109 | G | 81.6 | Confident | 81.8 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 22% | 0.216 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 20 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A105 I106 L111 E112 N113 | A105-G109 PolarHBondContact O-N 3.22Å; A105-G109 VanDerWaalsContact O-N 3.14Å; I106-G109 PolarHBondContact O-N 3.28Å; G109-L111 PolarHBondContact O-N 3.06Å; G109-L111 VanDerWaalsContact O-N 3.08Å; G109-E112 PolarHBondContact O-N 3.17Å; G109-E112 VanDerWaalsContact O-N 3.09Å; G109-N113 PolarHBondContact O-N 3.17Å; G109-N113 VanDerWaalsContact O-N 3.15Å |
| 110 | D | 76.1 | Confident | 81.4 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 6% | 0.059 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.5 | -178.1 | -73.6 | -5.9 | 0 | 0 | 0 | 113.5 | A105 H108 K117 C118 | A105-D110 HydrophobicContact CB-CB 4.15Å; A105-D110 PolarHBondContact O-N 2.86Å; H108-D110 IonicContact CE1-OD1 3.7Å; H108-D110 IonicContact CG-OD1 3.48Å; H108-D110 IonicContact ND1-OD1 3.84Å; H108-D110 PolarHBondContact ND1-OD1 2.93Å; D110-K117 HydrophobicContact CB-CB 4.47Å; D110-K117 HydrophobicContact CB-CG 4.33Å; D110-K117 WeakPolarHBondContact OD1-CA 3.38Å; D110-C118 PolarHBondContact OD1-N 3.13Å; D110-C118 WeakPolarHBondContact OD2-CB 3.42Å; D110-C118 PolarHBondContact OD2-N 3.01Å |
| 111 | L | 71.3 | Confident | 81 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -25.3 | 178.2 | -95.1 | 72.3 | 0 | 0 | 0 | 113.4 | A105 G109 | A105-L111 HydrophobicContact CB-CD1 4.2Å; G109-L111 PolarHBondContact O-N 3.06Å; G109-L111 VanDerWaalsContact O-N 3.08Å |
| 112 | E | 69.3 | Low | 80.7 | Confident | 178 Ų | 178 | 68.6 Ų | 68.6 | 83% | 0.832 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -32 | -172.8 | -65.6 | -177 | 174.9 | 0 | 0 | 112.3 | G109 | G109-E112 PolarHBondContact O-N 3.17Å; G109-E112 VanDerWaalsContact O-N 3.09Å |
| 113 | N | 65.5 | Low | 80.3 | Confident | 107 Ų | 107 | 69.2 Ų | 69.2 | 57% | 0.572 | 37% | 0.372 | S | S | * | . | trans | -106 | 130.7 | -178.1 | -73.1 | -34.1 | 0 | 0 | 0 | 111.9 | G109 A115 K117 | G109-N113 PolarHBondContact O-N 3.17Å; G109-N113 VanDerWaalsContact O-N 3.15Å; N113-A115 VanDerWaalsContact C-N 3.3Å; N113-K117 WeakPolarHBondContact O-CE 3.22Å | ||
| 114 | D | 65 | Low | 80.3 | Confident | 143 Ų | 143 | 67.6 Ų | 67.6 | 77% | 0.765 | 37% | 0.367 | S | S | * | . | trans | -86.1 | -5.3 | 176.8 | -143.1 | 24.3 | 0 | 0 | 0 | 112.8 | K117 | D114-K117 WeakPolarHBondContact OD1-CE 3.37Å; D114-K117 IonicContact OD1-NZ 3.37Å; D114-K117 PolarHBondContact OD1-NZ 3.42Å | ||
| 115 | A | 63.3 | Low | 80.4 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 66% | 0.661 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -92.7 | 121.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N113 | N113-A115 VanDerWaalsContact C-N 3.3Š|
| 116 | Q | 70.3 | Confident | 80.6 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 58% | 0.575 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 52 | 83.9 | 173.5 | -67 | -179.3 | -52 | 0 | 0 | 114.6 | H108 E149 | H108-Q116 PolarHBondContact CE1-O 3.05Å; H108-Q116 VanDerWaalsContact CE1-O 3.26Å; Q116-E149 HydrophobicContact CB-CG 4Å; Q116-E149 HydrophobicContact CG-CG 4.33Å; Q116-E149 WeakPolarHBondContact CG-OE1 3.48Å; Q116-E149 VanDerWaalsContact NE2-CD 3.26Å; Q116-E149 PolarHBondContact NE2-OE1 3.5Å; Q116-E149 PolarHBondContact NE2-OE2 3.16Å |
| 117 | K | 82.6 | Confident | 80.8 | Confident | 51 Ų | 51 | 70.2 Ų | 70.2 | 22% | 0.222 | 38% | 0.382 | C | S | . | . | trans | -89.1 | 143.2 | 177.7 | -63.8 | 176.1 | -176.3 | 164.9 | 0 | 111.3 | D110 N113 D114 T147 | D110-K117 HydrophobicContact CB-CB 4.47Å; D110-K117 HydrophobicContact CB-CG 4.33Å; D110-K117 WeakPolarHBondContact OD1-CA 3.38Å; N113-K117 WeakPolarHBondContact O-CE 3.22Å; D114-K117 WeakPolarHBondContact OD1-CE 3.37Å; D114-K117 IonicContact OD1-NZ 3.37Å; D114-K117 PolarHBondContact OD1-NZ 3.42Å; K117-T147 WeakPolarHBondContact O-CB 3.2Å; K117-T147 VanDerWaalsContact O-CG2 3.25Å; K117-T147 WeakPolarHBondContact O-CG2 3.36Å; K117-T147 PolarHBondContact O-OG1 2.92Å | ||
| 118 | C | 84.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -66.6 | -42.5 | 172.8 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | V104 H108 D110 T147 C150 A153 | V104-C118 HydrophobicContact CG1-CB 4.3Å; H108-C118 VanDerWaalsContact CB-SG 3.58Å; H108-C118 VanDerWaalsContact CD2-SG 3.54Å; D110-C118 PolarHBondContact OD1-N 3.13Å; D110-C118 WeakPolarHBondContact OD2-CB 3.42Å; D110-C118 PolarHBondContact OD2-N 3.01Å; C118-T147 PolarHBondContact O-N 3.14Å; C118-T147 PolarHBondContact O-OG1 2.9Å; C118-C150 WeakPolarHBondContact CA-SG 3.36Å; C118-C150 HydrophobicContact CB-CB 3.53Å; C118-C150 WeakPolarHBondContact CB-SG 3.31Å; C118-C150 WeakPolarHBondContact SG-CB 3.39Å; C118-C150 CovalentContact SG-SG 2.01Å; C118-C150 PolarHBondContact SG-SG 3.32Å; C118-A153 HydrophobicContact CB-CB 4.28Å |
| 119 | V | 84.8 | Confident | 81.7 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 118 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | F101 V122 F131 A153 | F101-V119 HydrophobicContact CD1-CG2 4.4Å; V119-V122 HydrophobicContact CB-CG2 3.95Å; V119-V122 HydrophobicContact CG1-CG2 3.51Å; V119-F131 HydrophobicContact CG1-CD1 3.94Å; V119-F131 HydrophobicContact CG1-CD2 4.14Å; V119-F131 HydrophobicContact CG1-CE1 3.8Å; V119-F131 HydrophobicContact CG1-CE2 4Å; V119-F131 HydrophobicContact CG1-CG 4.1Å; V119-F131 HydrophobicContact CG1-CZ 3.83Å; V119-F131 HydrophobicContact CG2-CE1 4.18Å; V119-A153 HydrophobicContact CG2-CB 4.4Å |
| 120 | S | 86.3 | Confident | 82.4 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 143.6 | -176.9 | -165 | 0 | 0 | 0 | 0 | 111.3 | V122 Y145 | S120-V122 VanDerWaalsContact C-N 3.34Å; S120-V122 PolarHBondContact O-N 3.13Å; S120-Y145 PolarHBondContact N-O 2.99Å |
| 121 | N | 86.2 | Confident | 83.3 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 30.2 | 176.3 | -61.7 | -31.1 | 0 | 0 | 0 | 116 | Y143 R144 | N121-Y143 HydrophobicContact CB-CD1 4.24Å; N121-Y143 HydrophobicContact CB-CE1 3.8Å; N121-Y143 PolarHBondContact ND2-O 3.5Å; N121-R144 HydrophobicContact CB-CG 4.2Å |
| 122 | V | 87.4 | Confident | 84.5 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | trans | -102.2 | 84.6 | 170.4 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | A105 V119 S120 A128 | A105-V122 HydrophobicContact CB-CG1 4.48Å; V119-V122 HydrophobicContact CB-CG2 3.95Å; V119-V122 HydrophobicContact CG1-CG2 3.51Å; S120-V122 VanDerWaalsContact C-N 3.34Å; S120-V122 PolarHBondContact O-N 3.13Å; V122-A128 HydrophobicContact CG1-CB 3.65Å | ||
| 123 | S | 84.9 | Confident | 85.8 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | trans | -99.1 | -13.2 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 124 | S | 90.4 | Very high | 87.2 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -146.9 | 171.7 | -175.8 | 73.6 | 0 | 0 | 0 | 0 | 112.4 | W102 T126 A127 A128 | W102-S124 VanDerWaalsContact CE3-C 3.41Å; S124-T126 VanDerWaalsContact C-N 3.3Å; S124-T126 PolarHBondContact O-N 2.96Å; S124-A127 WeakPolarHBondContact O-CA 3.42Å; S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 2.91Å; S124-A127 PolarHBondContact OG-N 3Å; S124-A128 PolarHBondContact O-N 2.8Å |
| 125 | F | 91.8 | Very high | 88.6 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 31% | 0.307 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.4 | -39.8 | -172.8 | 176.6 | -105 | 0 | 0 | 0 | 108.5 | L95 C99 W102 A127 A128 F129 | L95-F125 HydrophobicContact CD2-CE1 4.35Å; L95-F125 HydrophobicContact CD2-CZ 4.27Å; C99-F125 HydrophobicContact CB-CE2 4.47Å; C99-F125 VanDerWaalsContact SG-CE2 3.56Å; W102-F125 HydrophobicContact CB-CD2 4.18Å; W102-F125 HydrophobicContact CD2-CB 3.98Å; W102-F125 AromaticContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CG 4.4Å; W102-F125 HydrophobicContact CE3-CB 3.37Å; W102-F125 HydrophobicContact CE3-CD2 4Å; W102-F125 HydrophobicContact CE3-CG 4.2Å; W102-F125 HydrophobicContact CG-CD2 4.04Å; W102-F125 HydrophobicContact CH2-CB 3.62Å; W102-F125 HydrophobicContact CZ2-CB 4.24Å; W102-F125 HydrophobicContact CZ3-CB 3.25Å; W102-F125 HydrophobicContact CZ3-CG 4.43Å; F125-A127 PolarHBondContact O-N 2.87Å; F125-A128 PolarHBondContact O-N 2.79Å; F125-F129 VanDerWaalsContact O-CB 3.24Å; F125-F129 WeakPolarHBondContact O-CB 3.46Å; F125-F129 PolarHBondContact O-N 3.3Å |
| 126 | T | 93.9 | Very high | 90.2 | Very high | 88 Ų | 88 | 36.5 Ų | 36.5 | 54% | 0.54 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.1 | -40.7 | 169 | -45.6 | 0 | 0 | 0 | 0 | 111.2 | S124 F129 L130 | S124-T126 VanDerWaalsContact C-N 3.3Å; S124-T126 PolarHBondContact O-N 2.96Å; T126-F129 PolarHBondContact O-N 3.13Å; T126-L130 HydrophobicContact CG2-CD1 4.25Å; T126-L130 WeakPolarHBondContact O-CB 3.49Å; T126-L130 WeakPolarHBondContact O-CG 3.46Å; T126-L130 PolarHBondContact O-N 3.31Å |
| 127 | A | 92.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S124 F125 L130 F131 | S124-A127 WeakPolarHBondContact O-CA 3.42Å; S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 2.91Å; S124-A127 PolarHBondContact OG-N 3Å; F125-A127 PolarHBondContact O-N 2.87Å; A127-L130 PolarHBondContact O-N 2.94Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 3.44Å |
| 128 | A | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G98 F101 W102 V122 S124 F125 F131 S132 | G98-A128 WeakPolarHBondContact O-CB 3.13Å; F101-A128 HydrophobicContact CB-CB 4.47Å; W102-A128 HydrophobicContact CB-CB 3.79Å; V122-A128 HydrophobicContact CG1-CB 3.65Å; S124-A128 PolarHBondContact O-N 2.8Å; F125-A128 PolarHBondContact O-N 2.79Å; A128-F131 PolarHBondContact O-N 3.19Å; A128-S132 WeakPolarHBondContact O-CB 3.3Å; A128-S132 PolarHBondContact O-N 2.78Å |
| 129 | F | 95.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -43.4 | 174.9 | 177.4 | -111.2 | 0 | 0 | 0 | 111.9 | W94 L95 F125 T126 S132 I133 | W94-F129 HydrophobicContact CB-CD2 4.37Å; W94-F129 HydrophobicContact CB-CE2 3.67Å; W94-F129 HydrophobicContact CB-CZ 4.39Å; L95-F129 HydrophobicContact CD2-CD2 3.87Å; L95-F129 HydrophobicContact CD2-CE2 3.69Å; L95-F129 HydrophobicContact CD2-CZ 4.44Å; L95-F129 HydrophobicContact CG-CD2 4.4Å; L95-F129 HydrophobicContact CG-CE2 3.88Å; F125-F129 VanDerWaalsContact O-CB 3.24Å; F125-F129 WeakPolarHBondContact O-CB 3.46Å; F125-F129 PolarHBondContact O-N 3.3Å; T126-F129 PolarHBondContact O-N 3.13Å; F129-S132 WeakPolarHBondContact O-CB 3.45Å; F129-S132 PolarHBondContact O-N 2.81Å; F129-I133 HydrophobicContact CD1-CD1 3.86Å; F129-I133 HydrophobicContact CE1-CD1 3.38Å; F129-I133 HydrophobicContact CE1-CG1 4.42Å; F129-I133 HydrophobicContact CE2-CD1 4.18Å; F129-I133 HydrophobicContact CE2-CG1 4.44Å; F129-I133 HydrophobicContact CG-CD1 4.46Å; F129-I133 HydrophobicContact CZ-CD1 3.56Å; F129-I133 HydrophobicContact CZ-CG1 4.27Å; F129-I133 WeakPolarHBondContact O-CG1 3.32Å; F129-I133 PolarHBondContact O-N 3.19Å |
| 130 | L | 95.4 | Very high | 92.8 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 173.7 | -72.9 | 170.8 | 0 | 0 | 0 | 111.2 | T126 A127 S132 I133 E134 | T126-L130 HydrophobicContact CG2-CD1 4.25Å; T126-L130 WeakPolarHBondContact O-CB 3.49Å; T126-L130 WeakPolarHBondContact O-CG 3.46Å; T126-L130 PolarHBondContact O-N 3.31Å; A127-L130 PolarHBondContact O-N 2.94Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3.32Å; L130-I133 PolarHBondContact O-N 3.35Å; L130-E134 WeakPolarHBondContact O-CB 3.49Å; L130-E134 VanDerWaalsContact O-CG 3.22Å; L130-E134 WeakPolarHBondContact O-CG 3.41Å; L130-E134 PolarHBondContact O-N 3Å |
| 131 | F | 95.1 | Very high | 93 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 174.5 | 178.4 | -111.2 | 0 | 0 | 0 | 112.5 | F101 V119 A127 A128 I133 E134 T135 R144 V146 V157 | F101-F131 HydrophobicContact CB-CD1 4.5Å; F101-F131 HydrophobicContact CD1-CD1 4.26Å; F101-F131 AromaticContact CD1-CE1 3.93Å; F101-F131 HydrophobicContact CD1-CE1 3.93Å; F101-F131 AromaticContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CE1 4.09Å; F101-F131 HydrophobicContact CE1-CD1 4.47Å; F101-F131 AromaticContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE2-CD1 4.08Å; F101-F131 AromaticContact CE2-CE1 3.97Å; F101-F131 HydrophobicContact CE2-CE1 3.97Å; F101-F131 AromaticContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CE1 4.09Å; F101-F131 HydrophobicContact CZ-CD1 4.39Å; F101-F131 AromaticContact CZ-CE1 3.83Å; F101-F131 HydrophobicContact CZ-CE1 3.83Å; V119-F131 HydrophobicContact CG1-CD1 3.94Å; V119-F131 HydrophobicContact CG1-CD2 4.14Å; V119-F131 HydrophobicContact CG1-CE1 3.8Å; V119-F131 HydrophobicContact CG1-CE2 4Å; V119-F131 HydrophobicContact CG1-CG 4.1Å; V119-F131 HydrophobicContact CG1-CZ 3.83Å; V119-F131 HydrophobicContact CG2-CE1 4.18Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 3.44Å; A128-F131 PolarHBondContact O-N 3.19Å; F131-I133 PolarHBondContact O-N 2.74Å; F131-E134 PolarHBondContact O-N 3.33Å; F131-T135 WeakPolarHBondContact O-CB 3.39Å; F131-T135 PolarHBondContact O-N 3.5Å; F131-T135 PolarHBondContact O-OG1 2.8Å; F131-R144 HydrophobicContact CB-CB 4.36Å; F131-R144 HydrophobicContact CD2-CB 3.66Å; F131-R144 HydrophobicContact CE2-CB 4.44Å; F131-R144 HydrophobicContact CG-CB 4.38Å; F131-V146 HydrophobicContact CZ-CB 4.43Å; F131-V157 HydrophobicContact CE1-CG2 4.43Å; F131-V157 HydrophobicContact CZ-CG2 4.27Å |
| 132 | S | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | W94 F97 G98 A128 F129 L130 T135 Q136 Q160 | W94-S132 PolarHBondContact O-OG 2.94Å; F97-S132 VanDerWaalsContact CB-OG 3.29Å; F97-S132 WeakPolarHBondContact CB-OG 3.29Å; G98-S132 PolarHBondContact N-OG 3.16Å; A128-S132 WeakPolarHBondContact O-CB 3.3Å; A128-S132 PolarHBondContact O-N 2.78Å; F129-S132 WeakPolarHBondContact O-CB 3.45Å; F129-S132 PolarHBondContact O-N 2.81Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3.32Å; S132-T135 PolarHBondContact O-N 3.06Å; S132-Q136 WeakPolarHBondContact O-CB 3.49Å; S132-Q136 PolarHBondContact O-N 3.08Å; S132-Q160 PolarHBondContact O-NE2 3.34Å; S132-Q160 PolarHBondContact OG-NE2 2.81Å; S132-Q160 VanDerWaalsContact OG-NE2 3.14Å |
| 133 | I | 96.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 16% | 0.164 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 174.7 | -67.6 | 166 | 0 | 0 | 0 | 110.3 | W94 F129 L130 F131 T135 Q136 T137 | W94-I133 HydrophobicContact CB-CG1 4.01Å; W94-I133 HydrophobicContact CD2-CG1 3.77Å; W94-I133 HydrophobicContact CE3-CD1 4.21Å; W94-I133 HydrophobicContact CE3-CG1 3.92Å; W94-I133 HydrophobicContact CG-CG1 3.81Å; F129-I133 HydrophobicContact CD1-CD1 3.86Å; F129-I133 HydrophobicContact CE1-CD1 3.38Å; F129-I133 HydrophobicContact CE1-CG1 4.42Å; F129-I133 HydrophobicContact CE2-CD1 4.18Å; F129-I133 HydrophobicContact CE2-CG1 4.44Å; F129-I133 HydrophobicContact CG-CD1 4.46Å; F129-I133 HydrophobicContact CZ-CD1 3.56Å; F129-I133 HydrophobicContact CZ-CG1 4.27Å; F129-I133 WeakPolarHBondContact O-CG1 3.32Å; F129-I133 PolarHBondContact O-N 3.19Å; L130-I133 PolarHBondContact O-N 3.35Å; F131-I133 PolarHBondContact O-N 2.74Å; I133-T135 PolarHBondContact O-N 3.36Å; I133-Q136 PolarHBondContact O-N 3.1Å; I133-T137 HydrophobicContact CG2-CG2 4.12Å; I133-T137 WeakPolarHBondContact O-CB 3.48Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 2.76Å; I133-T137 PolarHBondContact O-OG1 3.09Å |
| 134 | E | 95.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.8 | -38.7 | -178.2 | -72.3 | 170.2 | -143.5 | 0 | 0 | 111.8 | L130 F131 T138 I139 G140 Y141 R144 | L130-E134 WeakPolarHBondContact O-CB 3.49Å; L130-E134 VanDerWaalsContact O-CG 3.22Å; L130-E134 WeakPolarHBondContact O-CG 3.41Å; L130-E134 PolarHBondContact O-N 3Å; F131-E134 PolarHBondContact O-N 3.33Å; E134-T138 PolarHBondContact O-N 3.41Å; E134-I139 PolarHBondContact O-N 2.89Å; E134-I139 VanDerWaalsContact O-N 3.12Å; E134-G140 PolarHBondContact O-N 2.79Å; E134-Y141 HydrophobicContact CG-CD2 3.63Å; E134-Y141 HydrophobicContact CG-CE2 4.03Å; E134-R144 IonicContact OE1-CZ 2.65Å; E134-R144 IonicContact OE1-NH1 3.75Å; E134-R144 PolarHBondContact OE1-NH1 3.3Å |
| 135 | T | 94.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.4 | -52.3 | 179.4 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | F131 S132 I133 T138 V157 Q160 | F131-T135 WeakPolarHBondContact O-CB 3.39Å; F131-T135 PolarHBondContact O-N 3.5Å; F131-T135 PolarHBondContact O-OG1 2.8Å; S132-T135 PolarHBondContact O-N 3.06Å; I133-T135 PolarHBondContact O-N 3.36Å; T135-T138 PolarHBondContact O-N 3.11Å; T135-V157 HydrophobicContact CG2-CG1 3.91Å; T135-V157 HydrophobicContact CG2-CG2 4.43Å; T135-Q160 VanDerWaalsContact CG2-OE1 3.29Å |
| 136 | Q | 95.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.8 | -35.9 | -175.6 | -164 | 173 | -46.1 | 0 | 0 | 113.2 | S93 S132 I133 T138 Q160 | S93-Q136 PolarHBondContact OG-NE2 3.4Å; S132-Q136 WeakPolarHBondContact O-CB 3.49Å; S132-Q136 PolarHBondContact O-N 3.08Å; I133-Q136 PolarHBondContact O-N 3.1Å; Q136-T138 VanDerWaalsContact C-N 3.27Å; Q136-Q160 HydrophobicContact CB-CG 4.12Å; Q136-Q160 HydrophobicContact CG-CG 4.31Å |
| 137 | T | 95 | Very high | 93.4 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 29% | 0.288 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.7 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | W94 I133 I139 | W94-T137 HydrophobicContact CZ2-CG2 3.71Å; I133-T137 HydrophobicContact CG2-CG2 4.12Å; I133-T137 WeakPolarHBondContact O-CB 3.48Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 2.76Å; I133-T137 PolarHBondContact O-OG1 3.09Å; T137-I139 PolarHBondContact O-N 3.19Å; T137-I139 VanDerWaalsContact O-N 3.17Å; T137-I139 VanDerWaalsContact OG1-CD1 3.28Å; T137-I139 WeakPolarHBondContact OG1-CD1 3.23Å; T137-I139 VanDerWaalsContact OG1-CG1 3.31Å; T137-I139 WeakPolarHBondContact OG1-CG1 3.34Å |
| 138 | T | 95.1 | Very high | 93.1 | Very high | 125 Ų | 125 | 59.7 Ų | 59.7 | 77% | 0.767 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 22.2 | -179.3 | 70.2 | 0 | 0 | 0 | 0 | 114.4 | E134 T135 Q136 | E134-T138 PolarHBondContact O-N 3.41Å; T135-T138 PolarHBondContact O-N 3.11Å; Q136-T138 VanDerWaalsContact C-N 3.27Å |
| 139 | I | 96.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 43% | 0.431 | 33% | 0.333 | S | S | . | . | trans | -67.6 | -45.8 | 174.4 | -65.3 | 169.6 | 0 | 0 | 0 | 110.1 | E134 T137 Y141 | E134-I139 PolarHBondContact O-N 2.89Å; E134-I139 VanDerWaalsContact O-N 3.12Å; T137-I139 PolarHBondContact O-N 3.19Å; T137-I139 VanDerWaalsContact O-N 3.17Å; T137-I139 VanDerWaalsContact OG1-CD1 3.28Å; T137-I139 WeakPolarHBondContact OG1-CD1 3.23Å; T137-I139 VanDerWaalsContact OG1-CG1 3.31Å; T137-I139 WeakPolarHBondContact OG1-CG1 3.34Å; I139-Y141 HydrophobicContact CG2-CD1 3.77Å; I139-Y141 HydrophobicContact CG2-CD2 4.12Å; I139-Y141 HydrophobicContact CG2-CE1 3.4Å; I139-Y141 HydrophobicContact CG2-CE2 3.76Å; I139-Y141 HydrophobicContact CG2-CG 4.11Å; I139-Y141 PolarHBondContact O-N 3.29Å | ||
| 140 | G | 90.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | trans | 48.8 | 61.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E134 G142 | E134-G140 PolarHBondContact O-N 2.79Å; G140-G142 PolarHBondContact O-N 3.04Å | ||
| 141 | Y | 91.5 | Very high | 92.1 | Very high | 170 Ų | 170 | 63.5 Ų | 63.5 | 67% | 0.667 | 34% | 0.341 | S | S | * | . | trans | -57.6 | -21.4 | -179.1 | -64.7 | -60.2 | 0 | 0 | 0 | 113.9 | E134 I139 Y143 | E134-Y141 HydrophobicContact CG-CD2 3.63Å; E134-Y141 HydrophobicContact CG-CE2 4.03Å; I139-Y141 HydrophobicContact CG2-CD1 3.77Å; I139-Y141 HydrophobicContact CG2-CD2 4.12Å; I139-Y141 HydrophobicContact CG2-CE1 3.4Å; I139-Y141 HydrophobicContact CG2-CE2 3.76Å; I139-Y141 HydrophobicContact CG2-CG 4.11Å; I139-Y141 PolarHBondContact O-N 3.29Å; Y141-Y143 VanDerWaalsContact C-N 3.27Å; Y141-Y143 PolarHBondContact O-N 2.69Å | ||
| 142 | G | 88.4 | Confident | 92 | Very high | 49 Ų | 49 | 67.2 Ų | 67.2 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 83.3 | -6.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G140 R144 | G140-G142 PolarHBondContact O-N 3.04Å; G142-R144 VanDerWaalsContact C-N 3.28Å |
| 143 | Y | 90.7 | Very high | 91.7 | Very high | 143 Ų | 143 | 67.2 Ų | 67.2 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -66.8 | -32.4 | 171.3 | -177.4 | -102.4 | 0 | 0 | 0 | 112.1 | N121 Y141 | N121-Y143 HydrophobicContact CB-CD1 4.24Å; N121-Y143 HydrophobicContact CB-CE1 3.8Å; N121-Y143 PolarHBondContact ND2-O 3.5Å; Y141-Y143 VanDerWaalsContact C-N 3.27Å; Y141-Y143 PolarHBondContact O-N 2.69Å |
| 144 | R | 91 | Very high | 91.5 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -114.5 | 127.4 | 172.6 | -61.9 | 173.2 | -171.4 | 85.2 | 8.4 | 107.8 | N121 F131 E134 G142 | N121-R144 HydrophobicContact CB-CG 4.2Å; F131-R144 HydrophobicContact CB-CB 4.36Å; F131-R144 HydrophobicContact CD2-CB 3.66Å; F131-R144 HydrophobicContact CE2-CB 4.44Å; F131-R144 HydrophobicContact CG-CB 4.38Å; E134-R144 IonicContact OE1-CZ 2.65Å; E134-R144 IonicContact OE1-NH1 3.75Å; E134-R144 PolarHBondContact OE1-NH1 3.3Å; G142-R144 VanDerWaalsContact C-N 3.28Å |
| 145 | Y | 90.6 | Very high | 91.5 | Very high | 125 Ų | 125 | 74.4 Ų | 74.4 | 49% | 0.49 | 40% | 0.4 | S | S | . | . | trans | -145.3 | 150.8 | -178.5 | 61.2 | -91.7 | 0 | 0 | 0 | 110.6 | S120 T147 | S120-Y145 PolarHBondContact N-O 2.99Å; Y145-T147 HydrophobicContact CD2-CG2 4.41Å; Y145-T147 HydrophobicContact CE2-CG2 4.09Å | ||
| 146 | V | 92.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 30% | 0.303 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -80.8 | 141.2 | 175.6 | 64.7 | 0 | 0 | 0 | 0 | 110 | F131 A153 V154 V157 | F131-V146 HydrophobicContact CZ-CB 4.43Å; V146-A153 HydrophobicContact CG2-CB 3.92Å; V146-V154 HydrophobicContact CG2-CG2 4.13Å; V146-V157 HydrophobicContact CB-CG2 4.38Å; V146-V157 HydrophobicContact CG1-CG2 4.4Å; V146-V157 HydrophobicContact CG2-CG2 4.46Å |
| 147 | T | 89.2 | Confident | 91.4 | Very high | 29 Ų | 29 | 76.2 Ų | 76.2 | 18% | 0.178 | 41% | 0.41 | C | S | . | . | trans | -103 | 168.6 | 174.7 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | K117 C118 Y145 E149 | K117-T147 WeakPolarHBondContact O-CB 3.2Å; K117-T147 VanDerWaalsContact O-CG2 3.25Å; K117-T147 WeakPolarHBondContact O-CG2 3.36Å; K117-T147 PolarHBondContact O-OG1 2.92Å; C118-T147 PolarHBondContact O-N 3.14Å; C118-T147 PolarHBondContact O-OG1 2.9Å; Y145-T147 HydrophobicContact CD2-CG2 4.41Å; Y145-T147 HydrophobicContact CE2-CG2 4.09Å; T147-E149 VanDerWaalsContact C-N 3.29Å | ||
| 148 | D | 86.9 | Confident | 91.5 | Very high | 143 Ų | 143 | 77.8 Ų | 77.8 | 77% | 0.765 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -81.7 | -3.6 | 177.3 | 56.8 | -38.4 | 0 | 0 | 0 | 114.1 | C150 | D148-C150 VanDerWaalsContact C-N 3.32Å; D148-C150 PolarHBondContact O-N 2.74Å |
| 149 | E | 85.8 | Confident | 91.5 | Very high | 79 Ų | 79 | 76 Ų | 76 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -64.7 | -35.1 | -179.2 | -61.4 | -65.6 | 168.2 | 0 | 0 | 112.6 | Q116 T147 P151 | Q116-E149 HydrophobicContact CB-CG 4Å; Q116-E149 HydrophobicContact CG-CG 4.33Å; Q116-E149 WeakPolarHBondContact CG-OE1 3.48Å; Q116-E149 VanDerWaalsContact NE2-CD 3.26Å; Q116-E149 PolarHBondContact NE2-OE1 3.5Å; Q116-E149 PolarHBondContact NE2-OE2 3.16Å; T147-E149 VanDerWaalsContact C-N 3.29Å; E149-P151 WeakPolarHBondContact O-CD 3.46Å |
| 150 | C | 87.6 | Confident | 91.6 | Very high | 10 Ų | 10 | 72 Ų | 72 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | trans | -119.9 | 97.9 | -171.9 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | C118 D148 V152 A153 V154 | C118-C150 WeakPolarHBondContact CA-SG 3.36Å; C118-C150 HydrophobicContact CB-CB 3.53Å; C118-C150 WeakPolarHBondContact CB-SG 3.31Å; C118-C150 WeakPolarHBondContact SG-CB 3.39Å; C118-C150 CovalentContact SG-SG 2.01Å; C118-C150 PolarHBondContact SG-SG 3.32Å; D148-C150 VanDerWaalsContact C-N 3.32Å; D148-C150 PolarHBondContact O-N 2.74Å; C150-V152 PolarHBondContact O-N 3.01Å; C150-V152 VanDerWaalsContact O-N 3.11Å; C150-A153 HydrophobicContact CB-CB 4.02Å; C150-A153 WeakPolarHBondContact O-CB 3.29Å; C150-A153 PolarHBondContact O-N 3.26Å; C150-V154 PolarHBondContact O-N 3.07Å | ||
| 151 | P | 90.1 | Very high | 91.8 | Very high | 101 Ų | 101 | 72 Ų | 72 | 66% | 0.656 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.3 | -30.5 | 178.1 | -26.6 | 34.3 | 0 | 0 | 0 | 113.5 | E149 V154 F155 | E149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-V154 PolarHBondContact O-N 2.96Å; P151-F155 WeakPolarHBondContact O-CB 3.46Å; P151-F155 PolarHBondContact O-N 3.44Å |
| 152 | V | 90.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 68.3 Ų | 68.3 | 53% | 0.527 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | V104 C150 F155 M156 | V104-V152 HydrophobicContact CG2-CG1 4.39Å; C150-V152 PolarHBondContact O-N 3.01Å; C150-V152 VanDerWaalsContact O-N 3.11Å; V152-F155 PolarHBondContact O-N 2.74Å; V152-M156 VanDerWaalsContact O-CG 3.3Å; V152-M156 WeakPolarHBondContact O-CG 3.28Å; V152-M156 PolarHBondContact O-N 3.21Å |
| 153 | A | 90.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | V104 C118 V119 V146 C150 F155 M156 V157 | V104-A153 HydrophobicContact CG1-CB 4.41Å; C118-A153 HydrophobicContact CB-CB 4.28Å; V119-A153 HydrophobicContact CG2-CB 4.4Å; V146-A153 HydrophobicContact CG2-CB 3.92Å; C150-A153 HydrophobicContact CB-CB 4.02Å; C150-A153 WeakPolarHBondContact O-CB 3.29Å; C150-A153 PolarHBondContact O-N 3.26Å; A153-F155 PolarHBondContact O-N 2.89Å; A153-M156 PolarHBondContact O-N 3.43Å; A153-V157 WeakPolarHBondContact O-CG2 3.35Å; A153-V157 PolarHBondContact O-N 3.46Å |
| 154 | V | 93.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 38% | 0.382 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.6 | 179 | 0 | 0 | 0 | 0 | 111.1 | V146 C150 P151 M156 V157 V158 | V146-V154 HydrophobicContact CG2-CG2 4.13Å; C150-V154 PolarHBondContact O-N 3.07Å; P151-V154 PolarHBondContact O-N 2.96Å; V154-M156 VanDerWaalsContact C-N 3.34Å; V154-M156 PolarHBondContact O-N 2.95Å; V154-V157 PolarHBondContact O-N 2.99Å; V154-V158 WeakPolarHBondContact O-CG2 3.48Å; V154-V158 PolarHBondContact O-N 3.31Å; V154-V158 VanDerWaalsContact O-N 3.09Å |
| 155 | F | 94.8 | Very high | 92.9 | Very high | 126 Ų | 126 | 62.8 Ų | 62.8 | 55% | 0.553 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.8 | -42.6 | 175.8 | 175.9 | -95.4 | 0 | 0 | 0 | 112.2 | P151 V152 A153 V157 V158 F159 | P151-F155 WeakPolarHBondContact O-CB 3.46Å; P151-F155 PolarHBondContact O-N 3.44Å; V152-F155 PolarHBondContact O-N 2.74Å; A153-F155 PolarHBondContact O-N 2.89Å; F155-V157 PolarHBondContact O-N 2.98Å; F155-V158 PolarHBondContact O-N 2.87Å; F155-F159 HydrophobicContact CE1-CB 4.38Å; F155-F159 WeakPolarHBondContact O-CB 3.49Å; F155-F159 PolarHBondContact O-N 2.92Å |
| 156 | M | 94.4 | Very high | 93.2 | Very high | 44 Ų | 44 | 62 Ų | 62 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 178.3 | -72.9 | -61.8 | 169.8 | 0 | 0 | 112.6 | V100 F101 V152 A153 V154 F159 Q160 | V100-M156 HydrophobicContact CG1-CE 4.24Å; V100-M156 HydrophobicContact CG1-CG 3.97Å; V100-M156 HydrophobicContact CG1-SD 3.89Å; F101-M156 HydrophobicContact CE1-CB 3.9Å; F101-M156 HydrophobicContact CZ-CB 4.14Å; V152-M156 VanDerWaalsContact O-CG 3.3Å; V152-M156 WeakPolarHBondContact O-CG 3.28Å; V152-M156 PolarHBondContact O-N 3.21Å; A153-M156 PolarHBondContact O-N 3.43Å; V154-M156 VanDerWaalsContact C-N 3.34Å; V154-M156 PolarHBondContact O-N 2.95Å; M156-F159 PolarHBondContact O-N 3.29Å; M156-Q160 WeakPolarHBondContact O-CB 3.37Å; M156-Q160 PolarHBondContact O-N 2.85Å |
| 157 | V | 95.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 61 Ų | 61 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -44 | 173.4 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | F101 F131 T135 V146 A153 V154 F155 Q160 S161 | F101-V157 HydrophobicContact CE1-CG2 4.01Å; F101-V157 HydrophobicContact CZ-CG2 3.86Å; F131-V157 HydrophobicContact CE1-CG2 4.43Å; F131-V157 HydrophobicContact CZ-CG2 4.27Å; T135-V157 HydrophobicContact CG2-CG1 3.91Å; T135-V157 HydrophobicContact CG2-CG2 4.43Å; V146-V157 HydrophobicContact CB-CG2 4.38Å; V146-V157 HydrophobicContact CG1-CG2 4.4Å; V146-V157 HydrophobicContact CG2-CG2 4.46Å; A153-V157 WeakPolarHBondContact O-CG2 3.35Å; A153-V157 PolarHBondContact O-N 3.46Å; V154-V157 PolarHBondContact O-N 2.99Å; F155-V157 PolarHBondContact O-N 2.98Å; V157-Q160 PolarHBondContact O-N 3.24Å; V157-S161 WeakPolarHBondContact O-CB 3.48Å; V157-S161 PolarHBondContact O-N 2.72Å; V157-S161 PolarHBondContact O-OG 3.23Å |
| 158 | V | 95.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | V154 F155 Q160 S161 I162 | V154-V158 WeakPolarHBondContact O-CG2 3.48Å; V154-V158 PolarHBondContact O-N 3.31Å; V154-V158 VanDerWaalsContact O-N 3.09Å; F155-V158 PolarHBondContact O-N 2.87Å; V158-Q160 PolarHBondContact O-N 3.4Å; V158-S161 WeakPolarHBondContact O-CB 3.21Å; V158-S161 PolarHBondContact O-N 2.97Å; V158-I162 HydrophobicContact CG1-CD1 4.11Å; V158-I162 WeakPolarHBondContact O-CG1 3.31Å; V158-I162 PolarHBondContact O-N 3.26Å; V158-I162 VanDerWaalsContact O-N 3.08Å |
| 159 | F | 96 | Very high | 93.9 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 179.3 | -178.4 | -112.2 | 0 | 0 | 0 | 111.8 | F97 F155 M156 S161 I162 V163 | F97-F159 AromaticContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CE1 4.2Å; F97-F159 AromaticContact CZ-CD1 3.81Å; F97-F159 HydrophobicContact CZ-CD1 3.81Å; F97-F159 AromaticContact CZ-CE1 3.93Å; F97-F159 HydrophobicContact CZ-CE1 3.93Å; F155-F159 HydrophobicContact CE1-CB 4.38Å; F155-F159 WeakPolarHBondContact O-CB 3.49Å; F155-F159 PolarHBondContact O-N 2.92Å; M156-F159 PolarHBondContact O-N 3.29Å; F159-S161 VanDerWaalsContact C-N 3.32Å; F159-S161 PolarHBondContact O-N 3.04Å; F159-I162 PolarHBondContact O-N 2.85Å; F159-V163 HydrophobicContact CD1-CG2 4.41Å; F159-V163 HydrophobicContact CD2-CG2 4.38Å; F159-V163 HydrophobicContact CE1-CG2 3.99Å; F159-V163 HydrophobicContact CE2-CG2 3.96Å; F159-V163 HydrophobicContact CZ-CG2 3.74Å; F159-V163 WeakPolarHBondContact O-CG2 3.38Å; F159-V163 PolarHBondContact O-N 3.15Å |
| 160 | Q | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.1 | -177.3 | 176.2 | 24.9 | 0 | 0 | 112.1 | F97 S132 T135 Q136 M156 V157 V158 V163 G164 | F97-Q160 HydrophobicContact CB-CG 4.37Å; F97-Q160 HydrophobicContact CD1-CB 3.77Å; F97-Q160 HydrophobicContact CD1-CG 3.96Å; F97-Q160 HydrophobicContact CD2-CB 4.29Å; F97-Q160 HydrophobicContact CD2-CG 3.72Å; F97-Q160 HydrophobicContact CE1-CB 3.63Å; F97-Q160 HydrophobicContact CE1-CG 4.14Å; F97-Q160 HydrophobicContact CE2-CB 4.18Å; F97-Q160 HydrophobicContact CE2-CG 3.92Å; F97-Q160 HydrophobicContact CG-CB 4.11Å; F97-Q160 HydrophobicContact CG-CG 3.75Å; F97-Q160 HydrophobicContact CZ-CB 3.86Å; F97-Q160 HydrophobicContact CZ-CG 4.14Å; S132-Q160 PolarHBondContact O-NE2 3.34Å; S132-Q160 PolarHBondContact OG-NE2 2.81Å; S132-Q160 VanDerWaalsContact OG-NE2 3.14Å; T135-Q160 VanDerWaalsContact CG2-OE1 3.29Å; Q136-Q160 HydrophobicContact CB-CG 4.12Å; Q136-Q160 HydrophobicContact CG-CG 4.31Å; M156-Q160 WeakPolarHBondContact O-CB 3.37Å; M156-Q160 PolarHBondContact O-N 2.85Å; V157-Q160 PolarHBondContact O-N 3.24Å; V158-Q160 PolarHBondContact O-N 3.4Å; Q160-V163 PolarHBondContact O-N 3.21Å; Q160-G164 PolarHBondContact O-N 3.49Å |
| 161 | S | 96.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 60.4 Ų | 60.4 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 178.2 | -58 | 0 | 0 | 0 | 0 | 111.1 | V157 V158 F159 G164 C165 | V157-S161 WeakPolarHBondContact O-CB 3.48Å; V157-S161 PolarHBondContact O-N 2.72Å; V157-S161 PolarHBondContact O-OG 3.23Å; V158-S161 WeakPolarHBondContact O-CB 3.21Å; V158-S161 PolarHBondContact O-N 2.97Å; F159-S161 VanDerWaalsContact C-N 3.32Å; F159-S161 PolarHBondContact O-N 3.04Å; S161-G164 PolarHBondContact O-N 3.45Å; S161-C165 PolarHBondContact O-N 2.65Å; S161-C165 VanDerWaalsContact O-N 3.07Å; S161-C165 PolarHBondContact O-SG 2.97Å |
| 162 | I | 96.9 | Very high | 94.6 | Very high | 93 Ų | 93 | 60.8 Ų | 60.8 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 177.1 | -65.5 | 167.9 | 0 | 0 | 0 | 110.9 | V158 F159 G164 C165 I166 | V158-I162 HydrophobicContact CG1-CD1 4.11Å; V158-I162 WeakPolarHBondContact O-CG1 3.31Å; V158-I162 PolarHBondContact O-N 3.26Å; V158-I162 VanDerWaalsContact O-N 3.08Å; F159-I162 PolarHBondContact O-N 2.85Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 3.4Å; I162-C165 PolarHBondContact O-N 3.14Å; I162-I166 HydrophobicContact CG2-CD1 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.31Å; I162-I166 PolarHBondContact O-N 3.47Å; I162-I166 VanDerWaalsContact O-N 3.09Å |
| 163 | V | 95.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 179.1 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | F97 F159 Q160 I166 I167 | F97-V163 HydrophobicContact CE2-CB 4.32Å; F97-V163 HydrophobicContact CE2-CG1 4.14Å; F97-V163 HydrophobicContact CZ-CB 4.29Å; F97-V163 HydrophobicContact CZ-CG1 4.49Å; F97-V163 HydrophobicContact CZ-CG2 4.38Å; F159-V163 HydrophobicContact CD1-CG2 4.41Å; F159-V163 HydrophobicContact CD2-CG2 4.38Å; F159-V163 HydrophobicContact CE1-CG2 3.99Å; F159-V163 HydrophobicContact CE2-CG2 3.96Å; F159-V163 HydrophobicContact CZ-CG2 3.74Å; F159-V163 WeakPolarHBondContact O-CG2 3.38Å; F159-V163 PolarHBondContact O-N 3.15Å; Q160-V163 PolarHBondContact O-N 3.21Å; V163-I166 PolarHBondContact O-N 3.27Å; V163-I167 HydrophobicContact CG1-CD1 3.89Å; V163-I167 HydrophobicContact CG1-CG1 4.44Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 3.24Å |
| 164 | G | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.5 | -51.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q160 S161 I162 I166 I167 D168 | Q160-G164 PolarHBondContact O-N 3.49Å; S161-G164 PolarHBondContact O-N 3.45Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 3.4Å; G164-I166 VanDerWaalsContact C-N 3.29Å; G164-I166 PolarHBondContact O-N 2.78Å; G164-I167 PolarHBondContact O-N 2.86Å; G164-D168 PolarHBondContact O-N 3.33Å |
| 165 | C | 96.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 57% | 0.574 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.9 | -36.9 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | S161 I162 A169 | S161-C165 PolarHBondContact O-N 2.65Å; S161-C165 VanDerWaalsContact O-N 3.07Å; S161-C165 PolarHBondContact O-SG 2.97Å; I162-C165 PolarHBondContact O-N 3.14Å; C165-A169 VanDerWaalsContact O-CB 3.32Å; C165-A169 WeakPolarHBondContact O-CB 3.3Å; C165-A169 PolarHBondContact O-N 3.43Å |
| 166 | I | 95.6 | Very high | 94.6 | Very high | 108 Ų | 108 | 56.6 Ų | 56.6 | 55% | 0.554 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 177 | -68.9 | 167.2 | 0 | 0 | 0 | 111 | I162 V163 G164 A169 F170 | I162-I166 HydrophobicContact CG2-CD1 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.31Å; I162-I166 PolarHBondContact O-N 3.47Å; I162-I166 VanDerWaalsContact O-N 3.09Å; V163-I166 PolarHBondContact O-N 3.27Å; G164-I166 VanDerWaalsContact C-N 3.29Å; G164-I166 PolarHBondContact O-N 2.78Å; I166-A169 PolarHBondContact O-N 2.85Å; I166-F170 PolarHBondContact O-N 2.9Å |
| 167 | I | 94.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 56 Ų | 56 | 16% | 0.159 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 177.8 | -67.7 | 168.9 | 0 | 0 | 0 | 110.1 | F90 V163 G164 A169 F170 I171 | F90-I167 HydrophobicContact CD1-CG2 4.2Å; F90-I167 HydrophobicContact CE1-CG2 3.82Å; F90-I167 HydrophobicContact CZ-CG2 4.23Å; V163-I167 HydrophobicContact CG1-CD1 3.89Å; V163-I167 HydrophobicContact CG1-CG1 4.44Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 3.24Å; G164-I167 PolarHBondContact O-N 2.86Å; I167-A169 PolarHBondContact O-N 2.81Å; I167-F170 PolarHBondContact O-N 2.86Å; I167-I171 HydrophobicContact CG2-CD1 3.78Å; I167-I171 HydrophobicContact CG2-CG1 4.49Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.84Å |
| 168 | D | 94.5 | Very high | 94.2 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 178.8 | -71 | -19 | 0 | 0 | 0 | 111.8 | F90 G164 F170 I171 I172 | F90-D168 VanDerWaalsContact CE1-OD1 3.28Å; F90-D168 WeakPolarHBondContact CE1-OD1 3.33Å; F90-D168 VanDerWaalsContact CZ-OD1 3.23Å; F90-D168 WeakPolarHBondContact CZ-OD1 3.38Å; G164-D168 PolarHBondContact O-N 3.33Å; D168-F170 VanDerWaalsContact C-N 3.32Å; D168-F170 PolarHBondContact O-N 3.45Å; D168-I171 PolarHBondContact O-N 2.81Å; D168-I172 WeakPolarHBondContact O-CG1 3.43Å; D168-I172 PolarHBondContact O-N 2.93Å |
| 169 | A | 94.5 | Very high | 93.8 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | C165 I166 I167 G173 | C165-A169 VanDerWaalsContact O-CB 3.32Å; C165-A169 WeakPolarHBondContact O-CB 3.3Å; C165-A169 PolarHBondContact O-N 3.43Å; I166-A169 PolarHBondContact O-N 2.85Å; I167-A169 PolarHBondContact O-N 2.81Å; A169-G173 PolarHBondContact O-N 2.91Å |
| 170 | F | 92 | Very high | 93.3 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 43% | 0.425 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 177.4 | -173.9 | -96.2 | 0 | 0 | 0 | 111.9 | F71 I166 I167 D168 G173 A174 | F71-F170 HydrophobicContact CD2-CE2 4.22Å; F71-F170 HydrophobicContact CD2-CZ 4.43Å; I166-F170 PolarHBondContact O-N 2.9Å; I167-F170 PolarHBondContact O-N 2.86Å; D168-F170 VanDerWaalsContact C-N 3.32Å; D168-F170 PolarHBondContact O-N 3.45Å; F170-G173 PolarHBondContact O-N 2.98Å; F170-A174 VanDerWaalsContact O-CB 3.31Å; F170-A174 WeakPolarHBondContact O-CB 3.1Å; F170-A174 PolarHBondContact O-N 3.41Å |
| 171 | I | 92.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 179.5 | -69.6 | 171.7 | 0 | 0 | 0 | 110.6 | F86 F90 I167 D168 G173 A174 V175 | F86-I171 HydrophobicContact CB-CD1 4.06Å; F86-I171 HydrophobicContact CB-CG1 4.33Å; F86-I171 HydrophobicContact CD1-CD1 4.3Å; F86-I171 HydrophobicContact CD1-CG1 3.73Å; F86-I171 HydrophobicContact CD2-CG1 4.29Å; F86-I171 HydrophobicContact CD2-CG2 3.79Å; F86-I171 HydrophobicContact CE1-CG1 4.05Å; F86-I171 HydrophobicContact CE2-CG2 3.96Å; F86-I171 HydrophobicContact CG-CD1 4.17Å; F86-I171 HydrophobicContact CG-CG1 3.88Å; F86-I171 HydrophobicContact CG-CG2 4.2Å; F86-I171 HydrophobicContact CZ-CG1 4.46Å; F90-I171 HydrophobicContact CD2-CD1 4.01Å; F90-I171 HydrophobicContact CE1-CD1 4.27Å; F90-I171 HydrophobicContact CE2-CD1 3.23Å; F90-I171 HydrophobicContact CZ-CD1 3.39Å; I167-I171 HydrophobicContact CG2-CD1 3.78Å; I167-I171 HydrophobicContact CG2-CG1 4.49Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.84Å; D168-I171 PolarHBondContact O-N 2.81Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 2.91Å; I171-A174 PolarHBondContact O-N 2.85Å; I171-V175 HydrophobicContact CG2-CG2 4.26Å; I171-V175 WeakPolarHBondContact O-CB 3.26Å; I171-V175 VanDerWaalsContact O-CG2 3.23Å; I171-V175 WeakPolarHBondContact O-CG2 3.42Å; I171-V175 PolarHBondContact O-N 3.11Å |
| 172 | I | 93.9 | Very high | 91.7 | Very high | 109 Ų | 109 | 58.1 Ų | 58.1 | 56% | 0.559 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.3 | -46 | 177.8 | -66.8 | 168.2 | 0 | 0 | 0 | 110 | D168 A174 V175 M176 | D168-I172 WeakPolarHBondContact O-CG1 3.43Å; D168-I172 PolarHBondContact O-N 2.93Å; I172-A174 PolarHBondContact O-N 3.48Å; I172-V175 PolarHBondContact O-N 3.45Å; I172-M176 HydrophobicContact CG2-CG 4.3Å; I172-M176 VanDerWaalsContact O-CB 3.31Å; I172-M176 WeakPolarHBondContact O-CB 3.18Å; I172-M176 VanDerWaalsContact O-CG 3.26Å; I172-M176 WeakPolarHBondContact O-CG 3.13Å; I172-M176 PolarHBondContact O-N 3.22Å |
| 173 | G | 92.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | A169 F170 I171 M176 A177 | A169-G173 PolarHBondContact O-N 2.91Å; F170-G173 PolarHBondContact O-N 2.98Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 2.91Å; G173-M176 PolarHBondContact O-N 2.81Å; G173-A177 VanDerWaalsContact O-CB 3.3Å; G173-A177 WeakPolarHBondContact O-CB 3.22Å; G173-A177 PolarHBondContact O-N 2.8Å |
| 174 | A | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F86 F170 I171 I172 K178 | F86-A174 HydrophobicContact CE1-CB 4.49Å; F86-A174 HydrophobicContact CZ-CB 3.75Å; F170-A174 VanDerWaalsContact O-CB 3.31Å; F170-A174 WeakPolarHBondContact O-CB 3.1Å; F170-A174 PolarHBondContact O-N 3.41Å; I171-A174 PolarHBondContact O-N 2.85Å; I172-A174 PolarHBondContact O-N 3.48Å; A174-K178 VanDerWaalsContact O-CB 3.29Å; A174-K178 WeakPolarHBondContact O-CB 3.41Å; A174-K178 PolarHBondContact O-N 2.62Å |
| 175 | V | 92.6 | Very high | 88.6 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | W79 M82 F86 I171 I172 K178 M179 | W79-V175 HydrophobicContact CH2-CG1 4.35Å; W79-V175 HydrophobicContact CZ3-CG1 4.48Å; M82-V175 HydrophobicContact CE-CG2 3.9Å; F86-V175 HydrophobicContact CD2-CG2 4.49Å; F86-V175 HydrophobicContact CE2-CG2 3.77Å; I171-V175 HydrophobicContact CG2-CG2 4.26Å; I171-V175 WeakPolarHBondContact O-CB 3.26Å; I171-V175 VanDerWaalsContact O-CG2 3.23Å; I171-V175 WeakPolarHBondContact O-CG2 3.42Å; I171-V175 PolarHBondContact O-N 3.11Å; I172-V175 PolarHBondContact O-N 3.45Å; V175-K178 PolarHBondContact O-N 2.67Å; V175-M179 HydrophobicContact CG1-CG 4.34Å; V175-M179 HydrophobicContact CG1-SD 3.84Å; V175-M179 WeakPolarHBondContact O-CB 3.45Å; V175-M179 VanDerWaalsContact O-CG 3.3Å; V175-M179 WeakPolarHBondContact O-CG 3.47Å; V175-M179 PolarHBondContact O-N 2.86Å |
| 176 | M | 91.5 | Very high | 87.5 | Confident | 119 Ų | 119 | 66.3 Ų | 66.3 | 59% | 0.586 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.5 | -46.1 | 178.4 | -75.7 | -63.2 | -67.8 | 0 | 0 | 111.7 | I172 G173 K178 M179 A180 | I172-M176 HydrophobicContact CG2-CG 4.3Å; I172-M176 VanDerWaalsContact O-CB 3.31Å; I172-M176 WeakPolarHBondContact O-CB 3.18Å; I172-M176 VanDerWaalsContact O-CG 3.26Å; I172-M176 WeakPolarHBondContact O-CG 3.13Å; I172-M176 PolarHBondContact O-N 3.22Å; G173-M176 PolarHBondContact O-N 2.81Å; M176-K178 VanDerWaalsContact C-N 3.31Å; M176-K178 PolarHBondContact O-N 2.67Å; M176-M179 PolarHBondContact O-N 3.02Å; M176-A180 WeakPolarHBondContact O-CB 3.36Å; M176-A180 PolarHBondContact O-N 2.68Å |
| 177 | A | 90.3 | Very high | 86.7 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F71 V75 G173 A180 K181 | F71-A177 HydrophobicContact CZ-CB 3.9Å; V75-A177 HydrophobicContact CG1-CB 4.49Å; V75-A177 HydrophobicContact CG2-CB 4.14Å; G173-A177 VanDerWaalsContact O-CB 3.3Å; G173-A177 WeakPolarHBondContact O-CB 3.22Å; G173-A177 PolarHBondContact O-N 2.8Å; A177-A180 PolarHBondContact O-N 2.79Å; A177-K181 PolarHBondContact O-N 3.27Å |
| 178 | K | 90.9 | Very high | 86.4 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69 | -37 | 177.6 | -170.9 | 172.9 | -172.6 | 61.4 | 0 | 113.1 | V75 I77 W79 M82 A174 V175 M176 K181 | V75-K178 HydrophobicContact CG1-CB 4.02Å; V75-K178 HydrophobicContact CG1-CG 4.46Å; V75-K178 PolarHBondContact O-NZ 3.41Å; I77-K178 VanDerWaalsContact O-CE 3.3Å; I77-K178 WeakPolarHBondContact O-CE 3.34Å; I77-K178 PolarHBondContact O-NZ 3.19Å; W79-K178 HydrophobicContact CD2-CD 3.98Å; W79-K178 HydrophobicContact CE3-CD 4.23Å; W79-K178 HydrophobicContact CH2-CB 4.35Å; W79-K178 HydrophobicContact CH2-CD 4.08Å; W79-K178 HydrophobicContact CH2-CG 4.2Å; W79-K178 HydrophobicContact CZ2-CB 4.29Å; W79-K178 HydrophobicContact CZ2-CD 3.82Å; W79-K178 HydrophobicContact CZ2-CG 3.74Å; W79-K178 HydrophobicContact CZ3-CD 4.29Å; M82-K178 HydrophobicContact CE-CD 3.74Å; M82-K178 HydrophobicContact SD-CB 4.42Å; M82-K178 HydrophobicContact SD-CD 3.34Å; M82-K178 WeakPolarHBondContact SD-CD 3.35Å; A174-K178 VanDerWaalsContact O-CB 3.29Å; A174-K178 WeakPolarHBondContact O-CB 3.41Å; A174-K178 PolarHBondContact O-N 2.62Å; V175-K178 PolarHBondContact O-N 2.67Å; M176-K178 VanDerWaalsContact C-N 3.31Å; M176-K178 PolarHBondContact O-N 2.67Å; K178-K181 PolarHBondContact O-N 3.15Å |
| 179 | M | 88.1 | Confident | 86.3 | Confident | 127 Ų | 127 | 65.1 Ų | 65.1 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.3 | -36.2 | 175.8 | -74.3 | 179.9 | 61.4 | 0 | 0 | 112 | W79 V175 M176 K181 | W79-M179 HydrophobicContact CH2-CG 3.72Å; W79-M179 HydrophobicContact CZ2-CG 4.01Å; V175-M179 HydrophobicContact CG1-CG 4.34Å; V175-M179 HydrophobicContact CG1-SD 3.84Å; V175-M179 WeakPolarHBondContact O-CB 3.45Å; V175-M179 VanDerWaalsContact O-CG 3.3Å; V175-M179 WeakPolarHBondContact O-CG 3.47Å; V175-M179 PolarHBondContact O-N 2.86Å; M176-M179 PolarHBondContact O-N 3.02Å; M179-K181 VanDerWaalsContact C-N 3.29Å; M179-K181 PolarHBondContact O-N 2.87Å |
| 180 | A | 86.6 | Confident | 86.3 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.3 | -26.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | M176 A177 P182 M303 | M176-A180 WeakPolarHBondContact O-CB 3.36Å; M176-A180 PolarHBondContact O-N 2.68Å; A177-A180 PolarHBondContact O-N 2.79Å; A180-P182 WeakPolarHBondContact O-CD 2.89Å; A180-M303 HydrophobicContact CB-SD 3.91Å |
| 181 | K | 82.6 | Confident | 86.6 | Confident | 74 Ų | 74 | 60 Ų | 60 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | trans | -57.5 | 123.5 | -178.7 | -83.5 | -169.6 | 173.3 | 177.2 | 0 | 111.7 | V75 D76 A177 K178 M179 K183 | V75-K181 HydrophobicContact CG1-CD 3.7Å; V75-K181 VanDerWaalsContact CG1-CE 3.4Å; V75-K181 HydrophobicContact CG1-CG 4.39Å; D76-K181 IonicContact OD1-NZ 3.45Å; D76-K181 PolarHBondContact OD1-NZ 3.39Å; D76-K181 IonicContact OD2-NZ 3.6Å; D76-K181 PolarHBondContact OD2-NZ 3.45Å; A177-K181 PolarHBondContact O-N 3.27Å; K178-K181 PolarHBondContact O-N 3.15Å; M179-K181 VanDerWaalsContact C-N 3.29Å; M179-K181 PolarHBondContact O-N 2.87Å; K181-K183 PolarHBondContact O-N 2.92Å | ||
| 182 | P | 75.7 | Confident | 86.8 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | trans | -78 | 33 | -174.2 | 32.6 | -37 | 0 | 0 | 0 | 114.2 | A180 K184 R185 V298 M303 | A180-P182 WeakPolarHBondContact O-CD 2.89Å; P182-K184 VanDerWaalsContact C-N 3.29Å; P182-K184 PolarHBondContact O-N 3.31Å; P182-R185 HydrophobicContact CB-CB 4.15Å; P182-R185 VanDerWaalsContact O-CB 3.22Å; P182-R185 WeakPolarHBondContact O-CB 3.47Å; P182-R185 PolarHBondContact O-N 2.94Å; P182-V298 HydrophobicContact CB-CG2 3.69Å; P182-V298 HydrophobicContact CG-CG2 4.47Å; P182-M303 HydrophobicContact CG-CB 4.17Å | ||
| 183 | K | 72.6 | Confident | 86.9 | Confident | 163 Ų | 163 | 58.9 Ų | 58.9 | 71% | 0.709 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -37.1 | -173.5 | -171.7 | 173.1 | -177.6 | 171.9 | 0 | 113.3 | K181 R185 | K181-K183 PolarHBondContact O-N 2.92Å; K183-R185 VanDerWaalsContact C-N 3.27Å; K183-R185 PolarHBondContact O-N 3.26Å |
| 184 | K | 72.8 | Confident | 87.1 | Confident | 163 Ų | 163 | 59.4 Ų | 59.4 | 71% | 0.709 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.9 | 177.2 | -66.6 | -166.9 | 176.6 | -173 | 0 | 113.4 | P182 | P182-K184 VanDerWaalsContact C-N 3.29Å; P182-K184 PolarHBondContact O-N 3.31Å |
| 185 | R | 77.4 | Confident | 87.4 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -36 | 177.9 | -169.2 | 70.9 | 164.4 | 125 | -7.1 | 111 | P182 K183 E187 T188 L189 N212 S216 H217 V298 T305 | P182-R185 HydrophobicContact CB-CB 4.15Å; P182-R185 VanDerWaalsContact O-CB 3.22Å; P182-R185 WeakPolarHBondContact O-CB 3.47Å; P182-R185 PolarHBondContact O-N 2.94Å; K183-R185 VanDerWaalsContact C-N 3.27Å; K183-R185 PolarHBondContact O-N 3.26Å; R185-E187 PolarHBondContact O-N 3.39Å; R185-T188 PolarHBondContact NH1-OG1 2.92Å; R185-T188 VanDerWaalsContact NH1-OG1 3.13Å; R185-T188 PolarHBondContact O-N 2.68Å; R185-T188 PolarHBondContact O-OG1 3.48Å; R185-L189 PolarHBondContact O-N 2.75Å; R185-N212 PolarHBondContact NH1-OD1 3.42Å; R185-S216 PolarHBondContact NH2-O 3.31Å; R185-S216 PolarHBondContact NH2-OG 2.85Å; R185-S216 VanDerWaalsContact NH2-OG 3.15Å; R185-H217 PolarHBondContact NH2-O 2.87Å; R185-H217 VanDerWaalsContact NH2-O 3.12Å; R185-V298 HydrophobicContact CB-CG2 4.2Å; R185-V298 HydrophobicContact CG-CG2 3.79Å; R185-T305 HydrophobicContact CG-CG2 4.31Å |
| 186 | N | 74.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -53 | -38.5 | 176.3 | -72.3 | 18.4 | 0 | 0 | 0 | 112.3 | T188 L189 T305 Q306 C307 | N186-T188 PolarHBondContact O-N 3.24Å; N186-L189 PolarHBondContact O-N 2.93Å; N186-L189 VanDerWaalsContact O-O 3.14Å; N186-T305 PolarHBondContact OD1-OG1 2.85Å; N186-Q306 PolarHBondContact ND2-O 3.5Å; N186-C307 PolarHBondContact O-SG 3.2Å |
| 187 | E | 79.6 | Confident | 87.9 | Confident | 151 Ų | 151 | 52.5 Ų | 52.5 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -68.3 | -17.5 | 178.6 | -63.3 | 173.2 | -176.8 | 0 | 0 | 113.3 | R185 | R185-E187 PolarHBondContact O-N 3.39Š|
| 188 | T | 87.6 | Confident | 88.2 | Confident | 20 Ų | 20 | 51 Ų | 51 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -98.3 | -6.5 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | R185 N186 L213 R214 | R185-T188 PolarHBondContact NH1-OG1 2.92Å; R185-T188 VanDerWaalsContact NH1-OG1 3.13Å; R185-T188 PolarHBondContact O-N 2.68Å; R185-T188 PolarHBondContact O-OG1 3.48Å; N186-T188 PolarHBondContact O-N 3.24Å; T188-L213 WeakPolarHBondContact O-CB 3.49Å; T188-L213 WeakPolarHBondContact O-CG 3.42Å; T188-L213 PolarHBondContact O-N 2.89Å; T188-R214 HydrophobicContact CG2-CG 4.09Å |
| 189 | L | 92.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.4 | 171.1 | -65.4 | 174.6 | 0 | 0 | 0 | 107.5 | R185 N186 G211 N212 L218 L259 L294 T305 C307 | R185-L189 PolarHBondContact O-N 2.75Å; N186-L189 PolarHBondContact O-N 2.93Å; N186-L189 VanDerWaalsContact O-O 3.14Å; L189-G211 WeakPolarHBondContact CA-O 3.29Å; L189-N212 HydrophobicContact CD2-CB 4.2Å; L189-L218 HydrophobicContact CD1-CD1 4.42Å; L189-L218 HydrophobicContact CD1-CD2 4.04Å; L189-L218 HydrophobicContact CD2-CD2 4.24Å; L189-L259 HydrophobicContact CD2-CD2 4.24Å; L189-L294 HydrophobicContact CB-CD2 4.36Å; L189-L294 HydrophobicContact CD1-CD2 4.06Å; L189-L294 HydrophobicContact CD2-CD2 4.19Å; L189-L294 HydrophobicContact CG-CD2 4.43Å; L189-T305 HydrophobicContact CD1-CG2 4.41Å; L189-C307 HydrophobicContact CB-CB 4.14Å; L189-C307 HydrophobicContact CD1-CB 4.08Å |
| 190 | V | 94.2 | Very high | 88.7 | Confident | 33 Ų | 33 | 50 Ų | 50 | 20% | 0.2 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.3 | -172.6 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | V210 G211 L213 Y337 F340 | V190-V210 CarbonylContact O-C 3.53Å; V190-V210 WeakPolarHBondContact O-CA 3.32Å; V190-G211 PolarHBondContact N-O 3.42Å; V190-G211 PolarHBondContact O-N 3.41Å; V190-L213 HydrophobicContact CG1-CD1 3.58Å; V190-L213 HydrophobicContact CG1-CD2 4.48Å; V190-L213 HydrophobicContact CG1-CG 3.97Å; V190-L213 HydrophobicContact CG2-CD2 4.01Å; V190-L213 HydrophobicContact CG2-CG 4.07Å; V190-Y337 HydrophobicContact CG2-CE1 4.47Å; V190-F340 HydrophobicContact CB-CE1 4.47Å; V190-F340 HydrophobicContact CG2-CE1 4.04Å; V190-F340 HydrophobicContact CG2-CE2 4.21Å; V190-F340 HydrophobicContact CG2-CZ 3.8Å |
| 191 | F | 97.1 | Very high | 89 | Confident | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 152.3 | 172.4 | -67.6 | -90.6 | 0 | 0 | 0 | 110.1 | R209 V210 V292 L294 C307 H341 | F191-R209 CarbonylContact C-O 3.53Å; F191-R209 VanDerWaalsContact CA-O 3.29Å; F191-R209 WeakPolarHBondContact CA-O 3.33Å; F191-V210 HydrophobicContact CD1-CG1 3.62Å; F191-V210 HydrophobicContact CE1-CG1 3.54Å; F191-V210 HydrophobicContact CZ-CG1 4.49Å; F191-V292 HydrophobicContact CD1-CG2 3.62Å; F191-V292 HydrophobicContact CE1-CB 4.24Å; F191-V292 HydrophobicContact CE1-CG2 3.62Å; F191-V292 HydrophobicContact CG-CG2 4.37Å; F191-V292 HydrophobicContact CZ-CG2 4.36Å; F191-L294 HydrophobicContact CE1-CB 4.3Å; F191-L294 HydrophobicContact CZ-CB 3.72Å; F191-C307 HydrophobicContact CE2-CB 4.09Å; F191-H341 PolarHBondContact O-CE1 2.98Å |
| 192 | S | 97.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -60.1 | 149.6 | 169.9 | 55 | 0 | 0 | 0 | 0 | 110.3 | N194 R209 Y311 F322 | S192-N194 VanDerWaalsContact C-N 3.31Å; S192-N194 VanDerWaalsContact CB-O 3.31Å; S192-N194 WeakPolarHBondContact CB-O 3.22Å; S192-N194 PolarHBondContact OG-O 3.23Å; S192-R209 PolarHBondContact N-O 2.87Å; S192-R209 PolarHBondContact OG-N 3.49Å; S192-Y311 WeakPolarHBondContact O-CE1 3.29Å; S192-Y311 PolarHBondContact O-OH 3.35Å; S192-Y311 PolarHBondContact OG-OH 2.74Å; S192-F322 WeakPolarHBondContact OG-CZ 3.49Å | ||
| 193 | H | 95.8 | Very high | 90.2 | Very high | 108 Ų | 108 | 61.4 Ų | 61.4 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -69.1 | -37.2 | 179.6 | -76.8 | -53.2 | 0 | 0 | 0 | 111.4 | K48 Y311 H341 | K48-H193 PolarHBondContact NZ-O 2.95Å; H193-Y311 WeakPolarHBondContact O-CE1 3.37Å; H193-H341 AromaticContact CD2-CD2 3.9Å; H193-H341 AromaticContact CD2-CE1 3.64Å; H193-H341 AromaticContact CD2-CG 3.37Å; H193-H341 AromaticContact CD2-ND1 3.19Å; H193-H341 PolarHBondContact CD2-ND1 3.37Å; H193-H341 AromaticContact CG-ND1 3.63Å; H193-H341 PolarHBondContact N-ND1 2.9Å; H193-H341 AromaticContact NE2-CE1 3.63Å; H193-H341 AromaticContact NE2-CG 3.95Å; H193-H341 AromaticContact NE2-ND1 3.69Å; H193-H341 AromaticContact NE2-NE2 3.87Å |
| 194 | N | 97.4 | Very high | 91.3 | Very high | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -114.3 | 153 | 178.3 | -61.6 | 89.7 | 0 | 0 | 0 | 110.2 | S192 Y311 E315 L317 F322 | S192-N194 VanDerWaalsContact C-N 3.31Å; S192-N194 VanDerWaalsContact CB-O 3.31Å; S192-N194 WeakPolarHBondContact CB-O 3.22Å; S192-N194 PolarHBondContact OG-O 3.23Å; N194-Y311 VanDerWaalsContact C-CE1 3.47Å; N194-E315 WeakPolarHBondContact CA-O 3.41Å; N194-E315 VanDerWaalsContact CB-O 3.31Å; N194-E315 WeakPolarHBondContact CB-O 3.44Å; N194-E315 PolarHBondContact ND2-O 3Å; N194-L317 HydrophobicContact CB-CD1 3.81Å; N194-L317 HydrophobicContact CB-CG 4.02Å; N194-F322 WeakPolarHBondContact O-CZ 3.32Å |
| 195 | A | 97.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 160.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L206 M207 W208 Y311 E315 I316 L317 | A195-L206 HydrophobicContact CB-CD1 4.08Å; A195-M207 CarbonylContact C-O 3.57Å; A195-M207 VanDerWaalsContact CA-O 3.28Å; A195-M207 WeakPolarHBondContact CA-O 3.48Å; A195-M207 WeakPolarHBondContact CB-O 3.45Å; A195-W208 HydrophobicContact CB-CB 4.32Å; A195-Y311 HydrophobicContact CB-CD1 3.97Å; A195-Y311 HydrophobicContact CB-CD2 4.11Å; A195-Y311 HydrophobicContact CB-CE1 4.29Å; A195-Y311 HydrophobicContact CB-CE2 4.38Å; A195-Y311 HydrophobicContact CB-CG 3.9Å; A195-E315 PolarHBondContact N-O 2.72Å; A195-I316 HydrophobicContact CB-CG1 4.27Å; A195-I316 CarbonylContact O-C 3.55Å; A195-I316 WeakPolarHBondContact O-CA 3.45Å; A195-L317 PolarHBondContact O-N 3Å |
| 196 | T | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.5 | -177.1 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | M207 L317 H320 F322 T343 | T196-M207 PolarHBondContact N-O 3.01Å; T196-M207 PolarHBondContact O-N 3.13Å; T196-L317 CarbonylContact C-O 3.5Å; T196-L317 VanDerWaalsContact CA-O 3.3Å; T196-L317 WeakPolarHBondContact CA-O 3.03Å; T196-L317 HydrophobicContact CG2-CB 4.43Å; T196-H320 WeakPolarHBondContact CB-O 3.44Å; T196-H320 HydrophobicContact CG2-CB 3.82Å; T196-F322 HydrophobicContact CG2-CE1 4.36Å; T196-F322 HydrophobicContact CG2-CE2 4.05Å; T196-F322 HydrophobicContact CG2-CZ 3.96Å; T196-F322 WeakPolarHBondContact OG1-CE2 3.46Å; T196-T343 HydrophobicContact CG2-CG2 3.71Å |
| 197 | V | 97.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.9 | 170.5 | 177 | 0 | 0 | 0 | 0 | 108.4 | L204 C205 L206 I269 I316 L317 W318 G319 | V197-L204 HydrophobicContact CG1-CD1 3.79Å; V197-L204 HydrophobicContact CG1-CD2 4.23Å; V197-L204 HydrophobicContact CG1-CG 3.9Å; V197-C205 WeakPolarHBondContact CA-O 3.49Å; V197-L206 HydrophobicContact CG2-CB 4.46Å; V197-L206 HydrophobicContact CG2-CD1 3.75Å; V197-I269 HydrophobicContact CG1-CD1 4.33Å; V197-I316 HydrophobicContact CG2-CG2 3.73Å; V197-L317 PolarHBondContact N-O 3.47Å; V197-W318 HydrophobicContact CB-CD2 4.25Å; V197-W318 HydrophobicContact CB-CE3 4.06Å; V197-W318 HydrophobicContact CG1-CD2 4.07Å; V197-W318 HydrophobicContact CG1-CE3 3.9Å; V197-W318 HydrophobicContact CG1-CH2 4.18Å; V197-W318 HydrophobicContact CG1-CZ2 4.32Å; V197-W318 HydrophobicContact CG1-CZ3 3.97Å; V197-W318 HydrophobicContact CG2-CE3 4.37Å; V197-G319 WeakPolarHBondContact O-CA 3.46Å; V197-G319 PolarHBondContact O-N 3.37Å |
| 198 | A | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 167.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C205 M207 H320 R321 | A198-C205 PolarHBondContact N-O 2.84Å; A198-C205 VanDerWaalsContact N-O 3.11Å; A198-C205 PolarHBondContact O-N 2.76Å; A198-M207 HydrophobicContact CB-CE 3.81Å; A198-H320 VanDerWaalsContact CB-O 3.31Å; A198-H320 WeakPolarHBondContact CB-O 2.98Å; A198-R321 HydrophobicContact CB-CG 3.85Å |
| 199 | M | 95.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 36.7 Ų | 36.7 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.5 | 175.1 | -64.6 | -63.6 | -70.7 | 0 | 0 | 111 | N202 K203 L204 T349 P350 L357 | M199-N202 VanDerWaalsContact CE-C 3.44Å; M199-N202 WeakPolarHBondContact CE-O 3.01Å; M199-K203 CarbonylContact C-O 3.5Å; M199-K203 VanDerWaalsContact CA-O 3.31Å; M199-K203 WeakPolarHBondContact CA-O 3.43Å; M199-L204 HydrophobicContact SD-CB 4.05Å; M199-L204 HydrophobicContact SD-CD1 3.85Å; M199-T349 HydrophobicContact CG-CG2 4.43Å; M199-P350 VanDerWaalsContact CG-CD 3.49Å; M199-P350 HydrophobicContact CG-CG 4.31Å; M199-P350 HydrophobicContact SD-CG 4.33Å; M199-L357 HydrophobicContact CE-CD1 4.2Å; M199-L357 HydrophobicContact CE-CD2 4.47Å; M199-L357 HydrophobicContact SD-CD1 4.11Å |
| 200 | R | 94.3 | Very high | 96.1 | Very high | 82 Ų | 82 | 36.4 Ų | 36.4 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 127 | 169.5 | -177.2 | 176.2 | -67.3 | -163.3 | 0.9 | 108.2 | N202 K203 M207 | R200-N202 PolarHBondContact O-N 2.77Å; R200-K203 PolarHBondContact N-O 3.42Å; R200-K203 PolarHBondContact O-N 3.32Å; R200-K203 VanDerWaalsContact O-O 3.11Å; R200-M207 VanDerWaalsContact CZ-SD 3.53Å; R200-M207 PolarHBondContact NH2-SD 3.02Å |
| 201 | D | 92.8 | Very high | 96.1 | Very high | 144 Ų | 144 | 34.9 Ų | 34.9 | 77% | 0.77 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 44.3 | 179.6 | -52.2 | -39.2 | 0 | 0 | 0 | 113.6 | K203 | D201-K203 PolarHBondContact O-N 2.96Š|
| 202 | N | 90.7 | Very high | 96 | Very high | 139 Ų | 139 | 34.3 Ų | 34.3 | 74% | 0.743 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 17 | -177 | -60.7 | -34.2 | 0 | 0 | 0 | 116 | M199 R200 | M199-N202 VanDerWaalsContact CE-C 3.44Å; M199-N202 WeakPolarHBondContact CE-O 3.01Å; R200-N202 PolarHBondContact O-N 2.77Å |
| 203 | K | 93.1 | Very high | 95.7 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.3 | 175 | -52.8 | -167 | -175.3 | -175.5 | 0 | 110.8 | M199 R200 D201 E268 | M199-K203 CarbonylContact C-O 3.5Å; M199-K203 VanDerWaalsContact CA-O 3.31Å; M199-K203 WeakPolarHBondContact CA-O 3.43Å; R200-K203 PolarHBondContact N-O 3.42Å; R200-K203 PolarHBondContact O-N 3.32Å; R200-K203 VanDerWaalsContact O-O 3.11Å; D201-K203 PolarHBondContact O-N 2.96Å; K203-E268 HydrophobicContact CB-CG 4.39Å; K203-E268 HydrophobicContact CD-CG 3.85Å; K203-E268 WeakPolarHBondContact CD-OE1 3.48Å; K203-E268 VanDerWaalsContact CD-OE2 3.23Å; K203-E268 WeakPolarHBondContact CD-OE2 3.39Å; K203-E268 WeakPolarHBondContact CE-OE1 3.41Å; K203-E268 IonicContact NZ-OE1 2.69Å; K203-E268 PolarHBondContact NZ-OE1 2.87Å; K203-E268 IonicContact NZ-OE2 2.7Å; K203-E268 PolarHBondContact NZ-OE2 2.96Å |
| 204 | L | 95.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.7 | 174.9 | -168.2 | 69.6 | 0 | 0 | 0 | 108.4 | V197 M199 I269 W318 T349 A354 | V197-L204 HydrophobicContact CG1-CD1 3.79Å; V197-L204 HydrophobicContact CG1-CD2 4.23Å; V197-L204 HydrophobicContact CG1-CG 3.9Å; M199-L204 HydrophobicContact SD-CB 4.05Å; M199-L204 HydrophobicContact SD-CD1 3.85Å; L204-I269 HydrophobicContact CD2-CD1 4.1Å; L204-I269 HydrophobicContact CG-CD1 4.13Å; L204-I269 WeakPolarHBondContact O-CB 3.39Å; L204-I269 PolarHBondContact O-N 3.18Å; L204-W318 HydrophobicContact CD1-CZ2 4.39Å; L204-W318 HydrophobicContact CD2-CH2 3.77Å; L204-W318 HydrophobicContact CD2-CZ2 3.9Å; L204-T349 HydrophobicContact CD1-CG2 4.37Å; L204-A354 HydrophobicContact CD2-CB 4.22Å |
| 205 | C | 96.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.4 | -175.8 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | V197 A198 M207 V266 H267 | V197-C205 WeakPolarHBondContact CA-O 3.49Å; A198-C205 PolarHBondContact N-O 2.84Å; A198-C205 VanDerWaalsContact N-O 3.11Å; A198-C205 PolarHBondContact O-N 2.76Å; C205-M207 HydrophobicContact CB-CG 4.21Å; C205-V266 HydrophobicContact CB-CG1 3.61Å; C205-H267 CarbonylContact C-O 3.55Å; C205-H267 WeakPolarHBondContact CA-O 3.33Å; C205-H267 WeakPolarHBondContact CB-O 3.43Å |
| 206 | L | 97.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 133.2 | 163.5 | 174.4 | 69.3 | 0 | 0 | 0 | 108.9 | A195 V197 W208 H267 F275 I290 I316 | A195-L206 HydrophobicContact CB-CD1 4.08Å; V197-L206 HydrophobicContact CG2-CB 4.46Å; V197-L206 HydrophobicContact CG2-CD1 3.75Å; L206-W208 HydrophobicContact CD2-CZ3 4.17Å; L206-W208 HydrophobicContact CG-CE3 4.37Å; L206-W208 HydrophobicContact CG-CZ3 4.24Å; L206-H267 HydrophobicContact CB-CB 4.26Å; L206-H267 PolarHBondContact N-O 3.33Å; L206-H267 PolarHBondContact O-N 2.84Å; L206-F275 HydrophobicContact CD2-CE2 4.08Å; L206-I290 HydrophobicContact CD2-CD1 3.49Å; L206-I290 VanDerWaalsContact CD2-CD1 3.49Å; L206-I316 HydrophobicContact CD1-CG2 3.96Å |
| 207 | M | 97.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.3 | -173.1 | -63.5 | 174.7 | -79.5 | 0 | 0 | 112.2 | A195 T196 A198 R200 C205 T264 I265 V266 F322 | A195-M207 CarbonylContact C-O 3.57Å; A195-M207 VanDerWaalsContact CA-O 3.28Å; A195-M207 WeakPolarHBondContact CA-O 3.48Å; A195-M207 WeakPolarHBondContact CB-O 3.45Å; T196-M207 PolarHBondContact N-O 3.01Å; T196-M207 PolarHBondContact O-N 3.13Å; A198-M207 HydrophobicContact CB-CE 3.81Å; R200-M207 VanDerWaalsContact CZ-SD 3.53Å; R200-M207 PolarHBondContact NH2-SD 3.02Å; C205-M207 HydrophobicContact CB-CG 4.21Å; M207-T264 HydrophobicContact CB-CG2 3.76Å; M207-T264 HydrophobicContact CG-CG2 4.14Å; M207-T264 HydrophobicContact SD-CG2 4.2Å; M207-I265 VanDerWaalsContact CA-O 3.23Å; M207-I265 WeakPolarHBondContact CA-O 3.41Å; M207-V266 HydrophobicContact CG-CG1 4.29Å; M207-V266 HydrophobicContact CG-CG2 4.25Å; M207-F322 HydrophobicContact CB-CE2 4.35Å |
| 208 | W | 98.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163.5 | 168.2 | 61.2 | 95.9 | 0 | 0 | 0 | 109.7 | A195 L206 A225 V248 T264 I265 H267 V292 Y311 | A195-W208 HydrophobicContact CB-CB 4.32Å; L206-W208 HydrophobicContact CD2-CZ3 4.17Å; L206-W208 HydrophobicContact CG-CE3 4.37Å; L206-W208 HydrophobicContact CG-CZ3 4.24Å; W208-A225 HydrophobicContact CH2-CB 3.58Å; W208-A225 HydrophobicContact CZ2-CB 3.81Å; W208-V248 HydrophobicContact CH2-CG1 3.53Å; W208-V248 HydrophobicContact CZ2-CG1 3.92Å; W208-T264 CarbonylContact O-C 3.49Å; W208-T264 WeakPolarHBondContact O-CA 3.3Å; W208-I265 HydrophobicContact CD2-CB 4.09Å; W208-I265 HydrophobicContact CD2-CG2 4.41Å; W208-I265 HydrophobicContact CG-CB 4.42Å; W208-I265 HydrophobicContact CH2-CG2 3.9Å; W208-I265 HydrophobicContact CZ2-CB 3.92Å; W208-I265 HydrophobicContact CZ2-CG2 3.37Å; W208-I265 PolarHBondContact N-O 3.33Å; W208-I265 PolarHBondContact O-N 3.42Å; W208-H267 HydrophobicContact CZ3-CB 4.32Å; W208-V292 HydrophobicContact CD2-CG1 3.9Å; W208-V292 HydrophobicContact CE3-CG1 4.44Å; W208-V292 HydrophobicContact CG-CG1 4.28Å; W208-V292 HydrophobicContact CH2-CG1 4.38Å; W208-V292 HydrophobicContact CZ2-CG1 3.82Å; W208-Y311 HydrophobicContact CB-CE2 3.83Å; W208-Y311 HydrophobicContact CG-CE2 4.08Å |
| 209 | R | 97.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.4 | -177.1 | -149.3 | 179.1 | -151 | 150.8 | 9.8 | 111.2 | F191 S192 P262 I263 F322 D323 F340 | F191-R209 CarbonylContact C-O 3.53Å; F191-R209 VanDerWaalsContact CA-O 3.29Å; F191-R209 WeakPolarHBondContact CA-O 3.33Å; S192-R209 PolarHBondContact N-O 2.87Å; S192-R209 PolarHBondContact OG-N 3.49Å; R209-P262 HydrophobicContact CG-CB 4.24Å; R209-I263 WeakPolarHBondContact CA-O 3.49Å; R209-I263 WeakPolarHBondContact CG-O 3.37Å; R209-F322 HydrophobicContact CB-CE1 4.43Å; R209-F322 HydrophobicContact CB-CZ 4.38Å; R209-D323 PolarHBondContact NH1-O 3.48Å; R209-D323 PolarHBondContact NH2-O 3.48Å; R209-F340 HydrophobicContact CB-CE2 4.38Å; R209-F340 HydrophobicContact CB-CZ 4.09Å; R209-F340 HydrophobicContact CG-CE2 3.96Å; R209-F340 HydrophobicContact CG-CZ 4.18Å; R209-F340 PolarHBondContact NH1-O 3.31Å |
| 210 | V | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.1 | 170.3 | -63.4 | 0 | 0 | 0 | 0 | 109.5 | V190 F191 I257 L259 P262 I263 I265 | V190-V210 CarbonylContact O-C 3.53Å; V190-V210 WeakPolarHBondContact O-CA 3.32Å; F191-V210 HydrophobicContact CD1-CG1 3.62Å; F191-V210 HydrophobicContact CE1-CG1 3.54Å; F191-V210 HydrophobicContact CZ-CG1 4.49Å; V210-I257 HydrophobicContact CG2-CD1 3.99Å; V210-L259 HydrophobicContact CG2-CD1 3.95Å; V210-P262 CarbonylContact O-C 3.59Å; V210-P262 VanDerWaalsContact O-CA 3.22Å; V210-P262 WeakPolarHBondContact O-CA 3.08Å; V210-I263 HydrophobicContact CG2-CB 4.28Å; V210-I263 PolarHBondContact N-O 3.13Å; V210-I263 PolarHBondContact O-N 2.86Å; V210-I265 HydrophobicContact CG1-CG1 4.15Å; V210-I265 HydrophobicContact CG2-CD1 3.84Å; V210-I265 HydrophobicContact CG2-CG1 3.96Å |
| 211 | G | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 151.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L189 V190 | L189-G211 WeakPolarHBondContact CA-O 3.29Å; V190-G211 PolarHBondContact N-O 3.42Å; V190-G211 PolarHBondContact O-N 3.41Å |
| 212 | N | 94.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.1 | 174.9 | 178.6 | 16.6 | 0 | 0 | 0 | 108.8 | R185 L189 R214 S216 L259 Y337 | R185-N212 PolarHBondContact NH1-OD1 3.42Å; L189-N212 HydrophobicContact CD2-CB 4.2Å; N212-R214 VanDerWaalsContact C-N 3.26Å; N212-R214 VanDerWaalsContact CG-O 3.28Å; N212-R214 PolarHBondContact ND2-O 2.67Å; N212-R214 PolarHBondContact O-N 2.94Å; N212-R214 PolarHBondContact OD1-N 3.47Å; N212-R214 VanDerWaalsContact OD1-N 3.13Å; N212-R214 PolarHBondContact OD1-O 2.93Å; N212-S216 PolarHBondContact ND2-O 2.93Å; N212-L259 HydrophobicContact CB-CD2 4.06Å; N212-L259 HydrophobicContact CB-CG 4.12Å; N212-Y337 PolarHBondContact O-OH 3.12Å |
| 213 | L | 90.6 | Very high | 94.1 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 48% | 0.482 | 22% | 0.218 | S | C | . | . | trans | -76.2 | -11.9 | 179.7 | -62 | -179.5 | 0 | 0 | 0 | 113.4 | T188 V190 Y337 | T188-L213 WeakPolarHBondContact O-CB 3.49Å; T188-L213 WeakPolarHBondContact O-CG 3.42Å; T188-L213 PolarHBondContact O-N 2.89Å; V190-L213 HydrophobicContact CG1-CD1 3.58Å; V190-L213 HydrophobicContact CG1-CD2 4.48Å; V190-L213 HydrophobicContact CG1-CG 3.97Å; V190-L213 HydrophobicContact CG2-CD2 4.01Å; V190-L213 HydrophobicContact CG2-CG 4.07Å; L213-Y337 HydrophobicContact CD2-CD1 3.79Å; L213-Y337 HydrophobicContact CD2-CE1 3.63Å; L213-Y337 HydrophobicContact CD2-CE2 4.45Å; L213-Y337 HydrophobicContact CD2-CG 4.29Å | ||
| 214 | R | 89 | Confident | 94.3 | Very high | 141 Ų | 141 | 46.7 Ų | 46.7 | 53% | 0.532 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -102.4 | 156.3 | 176.6 | -63.2 | -169.6 | 175.5 | -112.2 | -6.8 | 111.3 | T188 N212 | T188-R214 HydrophobicContact CG2-CG 4.09Å; N212-R214 VanDerWaalsContact C-N 3.26Å; N212-R214 VanDerWaalsContact CG-O 3.28Å; N212-R214 PolarHBondContact ND2-O 2.67Å; N212-R214 PolarHBondContact O-N 2.94Å; N212-R214 PolarHBondContact OD1-N 3.47Å; N212-R214 VanDerWaalsContact OD1-N 3.13Å; N212-R214 PolarHBondContact OD1-O 2.93Å |
| 215 | K | 85.6 | Confident | 94.4 | Very high | 207 Ų | 207 | 46.3 Ų | 46.3 | 90% | 0.9 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -70.8 | -29.6 | 170.7 | -65.3 | -173.2 | 176.6 | -174.7 | 0 | 113.5 | ||
| 216 | S | 90.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -65 | 140.3 | 176.3 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | R185 N212 E299 | R185-S216 PolarHBondContact NH2-O 3.31Å; R185-S216 PolarHBondContact NH2-OG 2.85Å; R185-S216 VanDerWaalsContact NH2-OG 3.15Å; N212-S216 PolarHBondContact ND2-O 2.93Å; S216-E299 WeakPolarHBondContact CA-OE2 3.2Å; S216-E299 WeakPolarHBondContact CB-OE2 3.46Å |
| 217 | H | 90.3 | Very high | 94.3 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | trans | -75.8 | 161 | -174.2 | -66.9 | -100.2 | 0 | 0 | 0 | 111.8 | R185 F258 E299 | R185-H217 PolarHBondContact NH2-O 2.87Å; R185-H217 VanDerWaalsContact NH2-O 3.12Å; H217-F258 AromaticContact ND1-CE2 3.97Å; H217-E299 IonicContact CD2-OE2 3.87Å; H217-E299 PolarHBondContact N-OE2 3.15Å | ||
| 218 | L | 92.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 108.1 | 164 | -173.9 | 71.7 | 0 | 0 | 0 | 105.9 | L189 A221 L294 T305 | L189-L218 HydrophobicContact CD1-CD1 4.42Å; L189-L218 HydrophobicContact CD1-CD2 4.04Å; L189-L218 HydrophobicContact CD2-CD2 4.24Å; L218-A221 HydrophobicContact CB-CB 4.29Å; L218-A221 HydrophobicContact CD2-CB 3.69Å; L218-A221 HydrophobicContact CG-CB 3.92Å; L218-L294 HydrophobicContact CD2-CD1 4.25Å; L218-L294 HydrophobicContact CD2-CD2 4.15Å; L218-L294 HydrophobicContact CD2-CG 4.11Å; L218-T305 HydrophobicContact CD1-CG2 3.78Å |
| 219 | V | 93.1 | Very high | 94 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 143.6 | -174.2 | -178 | 0 | 0 | 0 | 0 | 109 | A221 G296 M297 E299 | V219-A221 PolarHBondContact O-N 2.88Å; V219-G296 CarbonylContact O-C 3.54Å; V219-M297 HydrophobicContact CB-CB 4.22Å; V219-M297 HydrophobicContact CG1-CE 4.16Å; V219-M297 PolarHBondContact N-O 3.46Å; V219-M297 PolarHBondContact O-N 3.4Å; V219-E299 HydrophobicContact CG2-CB 4.36Å |
| 220 | E | 93.1 | Very high | 93.7 | Very high | 146 Ų | 146 | 55.7 Ų | 55.7 | 68% | 0.682 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 40.8 | -176.5 | -65.7 | -179 | -178.2 | 0 | 0 | 113.2 | H222 M297 | E220-H222 PolarHBondContact O-N 2.6Å; E220-H222 PolarHBondContact O-ND1 3.27Å; E220-H222 VanDerWaalsContact O-ND1 3.09Å; E220-M297 HydrophobicContact CB-CE 3.91Å; E220-M297 HydrophobicContact CG-CE 3.78Å; E220-M297 WeakPolarHBondContact OE2-CE 3.35Å |
| 221 | A | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 129.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L218 V219 R256 I257 L294 E295 | L218-A221 HydrophobicContact CB-CB 4.29Å; L218-A221 HydrophobicContact CD2-CB 3.69Å; L218-A221 HydrophobicContact CG-CB 3.92Å; V219-A221 PolarHBondContact O-N 2.88Å; A221-R256 CarbonylContact O-C 3.6Å; A221-R256 WeakPolarHBondContact O-CA 3.27Å; A221-I257 HydrophobicContact CB-CG1 3.95Å; A221-I257 PolarHBondContact O-N 3.13Å; A221-L294 HydrophobicContact CB-CD1 4.5Å; A221-E295 CarbonylContact C-O 3.56Å; A221-E295 VanDerWaalsContact CA-O 3.22Å; A221-E295 WeakPolarHBondContact CA-O 3.07Å |
| 222 | H | 96.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 154.6 | 175.8 | 58.7 | -79.1 | 0 | 0 | 0 | 110.9 | E220 D255 R256 E295 | E220-H222 PolarHBondContact O-N 2.6Å; E220-H222 PolarHBondContact O-ND1 3.27Å; E220-H222 VanDerWaalsContact O-ND1 3.09Å; H222-D255 VanDerWaalsContact CA-O 3.26Å; H222-D255 WeakPolarHBondContact CA-O 3.49Å; H222-R256 HydrophobicContact CB-CG 4.36Å; H222-E295 IonicContact CD2-OE2 2.87Å; H222-E295 VanDerWaalsContact CE1-CB 3.43Å; H222-E295 WeakPolarHBondContact CE1-CB 3.47Å; H222-E295 PolarHBondContact N-O 2.66Å; H222-E295 WeakPolarHBondContact NE2-CB 3.46Å; H222-E295 IonicContact NE2-OE2 3.99Å; H222-E295 PolarHBondContact NE2-OE2 3.15Å; H222-E295 PolarHBondContact O-N 2.8Å |
| 223 | V | 97.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.6 | -174.7 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | V248 D255 I257 I265 I293 L294 | V223-V248 HydrophobicContact CG2-CB 4.43Å; V223-V248 HydrophobicContact CG2-CG2 3.96Å; V223-V248 WeakPolarHBondContact O-CG2 3.21Å; V223-D255 WeakPolarHBondContact CG2-O 2.98Å; V223-D255 PolarHBondContact N-O 2.96Å; V223-D255 VanDerWaalsContact N-O 3.11Å; V223-I257 HydrophobicContact CG1-CD1 3.86Å; V223-I265 HydrophobicContact CG1-CD1 3.94Å; V223-I265 HydrophobicContact CG1-CG1 4.2Å; V223-I265 HydrophobicContact CG2-CD1 4.01Å; V223-I265 HydrophobicContact CG2-CG1 4.42Å; V223-I265 HydrophobicContact CG2-CG2 3.96Å; V223-I293 WeakPolarHBondContact CA-O 3.23Å; V223-L294 HydrophobicContact CG1-CD1 3.67Å |
| 224 | R | 96.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.4 | 174.8 | -58.6 | 174.9 | 62.2 | -171.2 | 0.7 | 109.4 | I293 E295 | R224-I293 HydrophobicContact CB-CB 4.28Å; R224-I293 PolarHBondContact N-O 2.97Å; R224-I293 PolarHBondContact O-N 2.86Å; R224-E295 IonicContact NH1-OE2 3.68Å |
| 225 | A | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | W208 I246 V248 V291 V292 | W208-A225 HydrophobicContact CH2-CB 3.58Å; W208-A225 HydrophobicContact CZ2-CB 3.81Å; A225-I246 HydrophobicContact CB-CB 3.86Å; A225-I246 HydrophobicContact CB-CD1 4.3Å; A225-I246 HydrophobicContact CB-CG2 4.24Å; A225-I246 PolarHBondContact O-N 3.32Å; A225-V248 HydrophobicContact CB-CG1 4.4Å; A225-V291 CarbonylContact C-O 3.42Å; A225-V291 WeakPolarHBondContact CA-O 3.27Å; A225-V292 HydrophobicContact CB-CG1 4.3Å |
| 226 | Q | 96.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 134.1 | -179.4 | -64.9 | -176.2 | -43.4 | 0 | 0 | 109.9 | V244 I290 V291 | Q226-V244 CarbonylContact C-O 3.56Å; Q226-V244 WeakPolarHBondContact CA-O 3.35Å; Q226-I290 CarbonylContact O-C 3.5Å; Q226-I290 WeakPolarHBondContact O-CA 3.4Å; Q226-V291 PolarHBondContact N-O 3.12Å; Q226-V291 PolarHBondContact O-N 3.36Å |
| 227 | L | 96.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.9 | 168.4 | 177.8 | 62.8 | 0 | 0 | 0 | 109.2 | Q243 V244 I246 P274 F275 F288 I290 | L227-Q243 WeakPolarHBondContact O-CA 3.48Å; L227-V244 HydrophobicContact CB-CB 4.34Å; L227-V244 PolarHBondContact N-O 3.04Å; L227-V244 PolarHBondContact O-N 3.47Å; L227-I246 HydrophobicContact CB-CD1 4.02Å; L227-I246 HydrophobicContact CB-CG1 4.18Å; L227-P274 HydrophobicContact CD2-CB 3.66Å; L227-P274 HydrophobicContact CD2-CG 3.94Å; L227-F275 HydrophobicContact CD1-CE1 4.03Å; L227-F275 HydrophobicContact CD1-CZ 3.88Å; L227-F275 HydrophobicContact CD2-CE1 4.28Å; L227-F275 HydrophobicContact CD2-CZ 4.21Å; L227-F275 HydrophobicContact CG-CZ 4.43Å; L227-F288 HydrophobicContact CD1-CB 3.71Å; L227-F288 HydrophobicContact CD1-CD2 3.36Å; L227-F288 HydrophobicContact CD1-CE2 4.14Å; L227-F288 HydrophobicContact CD1-CG 3.68Å; L227-I290 HydrophobicContact CD1-CG1 4.22Å |
| 228 | L | 95.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.1 | 173.1 | -57 | -172.5 | 0 | 0 | 0 | 109.6 | F45 L241 D242 Q243 E289 V291 | F45-L228 HydrophobicContact CB-CD1 3.85Å; F45-L228 HydrophobicContact CD1-CD1 3.49Å; F45-L228 VanDerWaalsContact CD1-CD1 3.49Å; F45-L228 HydrophobicContact CE1-CD1 4.32Å; F45-L228 HydrophobicContact CG-CD1 3.88Å; L228-L241 HydrophobicContact CB-CD2 4.22Å; L228-D242 WeakPolarHBondContact CA-O 3.01Å; L228-Q243 HydrophobicContact CD2-CB 4Å; L228-Q243 HydrophobicContact CD2-CG 3.57Å; L228-E289 WeakPolarHBondContact CA-O 3.37Å; L228-E289 HydrophobicContact CB-CB 4.3Å; L228-E289 WeakPolarHBondContact CB-O 3.11Å; L228-E289 PolarHBondContact N-O 2.64Å; L228-E289 PolarHBondContact O-N 3.09Å; L228-V291 HydrophobicContact CD1-CG2 3.41Å; L228-V291 VanDerWaalsContact CD1-CG2 3.41Å; L228-V291 HydrophobicContact CG-CG2 3.94Å |
| 229 | K | 92.8 | Very high | 94.7 | Very high | 106 Ų | 106 | 68.1 Ų | 68.1 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 148.6 | 177.9 | -169.6 | -176.2 | 171 | -179.3 | 0 | 110.5 | D242 F288 | K229-D242 PolarHBondContact N-O 3.25Å; K229-D242 WeakPolarHBondContact O-CB 3.31Å; K229-D242 PolarHBondContact O-N 2.97Å; K229-F288 HydrophobicContact CB-CB 4.21Å; K229-F288 HydrophobicContact CG-CB 4.28Å |
| 230 | S | 91.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.9 | 167.2 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | P240 | S230-P240 WeakPolarHBondContact CA-O 3.3Å; S230-P240 VanDerWaalsContact CB-O 3.28Å; S230-P240 WeakPolarHBondContact CB-O 3.26Å |
| 231 | R | 90.3 | Very high | 94.5 | Very high | 110 Ų | 110 | 66.3 Ų | 66.3 | 42% | 0.415 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.3 | 173.4 | 71.7 | 169.7 | 170.6 | 106.9 | 7.3 | 111.8 | I239 D242 | R231-I239 HydrophobicContact CG-CB 4.33Å; R231-I239 HydrophobicContact CG-CD1 4.43Å; R231-I239 PolarHBondContact N-O 2.78Å; R231-I239 VanDerWaalsContact N-O 3.12Å; R231-I239 PolarHBondContact O-N 2.81Å; R231-D242 WeakPolarHBondContact CD-OD2 3.43Å; R231-D242 HydrophobicContact CG-CB 3.84Å; R231-D242 IonicContact CZ-OD1 3.71Å; R231-D242 IonicContact CZ-OD2 2.93Å; R231-D242 IonicContact NE-OD1 3.57Å; R231-D242 PolarHBondContact NE-OD1 3.05Å; R231-D242 IonicContact NE-OD2 2.68Å; R231-D242 PolarHBondContact NE-OD2 3.26Å; R231-D242 IonicContact NH2-OD1 2.7Å; R231-D242 PolarHBondContact NH2-OD1 3.4Å; R231-D242 IonicContact NH2-OD2 3.57Å; R231-D242 PolarHBondContact NH2-OD2 3.45Å |
| 232 | T | 93.6 | Very high | 94.4 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.5 | 166.3 | -52 | 0 | 0 | 0 | 0 | 107.8 | E237 | T232-E237 CarbonylContact C-O 3.48Å; T232-E237 VanDerWaalsContact CA-O 3.27Å; T232-E237 WeakPolarHBondContact CA-O 3.2Å |
| 233 | T | 94.2 | Very high | 94.3 | Very high | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | trans | -72 | 167.8 | 178.2 | 78.1 | 0 | 0 | 0 | 0 | 111.3 | E235 G236 E237 I239 | T233-E235 WeakPolarHBondContact CB-OE2 3.41Å; T233-E235 PolarHBondContact O-N 2.98Å; T233-E235 PolarHBondContact OG1-N 3.15Å; T233-E235 PolarHBondContact OG1-OE2 3.07Å; T233-G236 PolarHBondContact O-N 3.19Å; T233-G236 PolarHBondContact OG1-N 3.35Å; T233-E237 HydrophobicContact CG2-CB 4.02Å; T233-E237 PolarHBondContact N-O 3.11Å; T233-E237 PolarHBondContact OG1-N 2.95Å; T233-I239 HydrophobicContact CG2-CD1 3.9Å; T233-I239 HydrophobicContact CG2-CG1 4.49Å | ||
| 234 | A | 93.4 | Very high | 94.2 | Very high | 105 Ų | 105 | 72.2 Ų | 72.2 | 87% | 0.868 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G236 | A234-G236 PolarHBondContact O-N 3.09Š|
| 235 | E | 95.4 | Very high | 94.2 | Very high | 163 Ų | 163 | 71.4 Ų | 71.4 | 76% | 0.762 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6 | 176.7 | -53.5 | 73.6 | -158.8 | 0 | 0 | 112.8 | T233 | T233-E235 WeakPolarHBondContact CB-OE2 3.41Å; T233-E235 PolarHBondContact O-N 2.98Å; T233-E235 PolarHBondContact OG1-N 3.15Å; T233-E235 PolarHBondContact OG1-OE2 3.07Å |
| 236 | G | 93.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 71.4 Ų | 71.4 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 91.5 | 9.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T233 A234 | T233-G236 PolarHBondContact O-N 3.19Å; T233-G236 PolarHBondContact OG1-N 3.35Å; A234-G236 PolarHBondContact O-N 3.09Å |
| 237 | E | 95.6 | Very high | 94.1 | Very high | 129 Ų | 129 | 73.2 Ų | 73.2 | 60% | 0.603 | 40% | 0.403 | S | S | * | . | trans | -75.2 | 126.6 | 174.3 | -177.6 | -179.2 | -170.5 | 0 | 0 | 110.3 | T232 T233 I239 | T232-E237 CarbonylContact C-O 3.48Å; T232-E237 VanDerWaalsContact CA-O 3.27Å; T232-E237 WeakPolarHBondContact CA-O 3.2Å; T233-E237 HydrophobicContact CG2-CB 4.02Å; T233-E237 PolarHBondContact N-O 3.11Å; T233-E237 PolarHBondContact OG1-N 2.95Å; E237-I239 HydrophobicContact CG-CG1 4.47Å | ||
| 238 | F | 94.6 | Very high | 94 | Very high | 123 Ų | 123 | 73.4 Ų | 73.4 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.1 | 175.5 | 178 | -104.4 | 0 | 0 | 0 | 110.8 | P240 | F238-P240 HydrophobicContact CD1-CG 4.19Å; F238-P240 HydrophobicContact CE1-CB 4.15Å; F238-P240 HydrophobicContact CE1-CG 3.91Å |
| 239 | I | 94.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 73.6 Ų | 73.6 | 16% | 0.164 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 110.5 | 176.1 | -58.4 | 170.6 | 0 | 0 | 0 | 107.9 | R231 T233 E237 L241 D242 | R231-I239 HydrophobicContact CG-CB 4.33Å; R231-I239 HydrophobicContact CG-CD1 4.43Å; R231-I239 PolarHBondContact N-O 2.78Å; R231-I239 VanDerWaalsContact N-O 3.12Å; R231-I239 PolarHBondContact O-N 2.81Å; T233-I239 HydrophobicContact CG2-CD1 3.9Å; T233-I239 HydrophobicContact CG2-CG1 4.49Å; E237-I239 HydrophobicContact CG-CG1 4.47Å; I239-L241 VanDerWaalsContact C-N 3.32Å; I239-L241 PolarHBondContact O-N 3.3Å; I239-D242 HydrophobicContact CB-CB 4.49Å; I239-D242 HydrophobicContact CG2-CB 3.85Å |
| 240 | P | 90.6 | Very high | 93.9 | Very high | 90 Ų | 90 | 75.1 Ų | 75.1 | 58% | 0.584 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | -38.2 | -174.8 | -25.8 | 34 | 0 | 0 | 0 | 114.2 | S230 F238 | S230-P240 WeakPolarHBondContact CA-O 3.3Å; S230-P240 VanDerWaalsContact CB-O 3.28Å; S230-P240 WeakPolarHBondContact CB-O 3.26Å; F238-P240 HydrophobicContact CD1-CG 4.19Å; F238-P240 HydrophobicContact CE1-CB 4.15Å; F238-P240 HydrophobicContact CE1-CG 3.91Å |
| 241 | L | 91.2 | Very high | 93.8 | Very high | 82 Ų | 82 | 79.3 Ų | 79.3 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 96.2 | 178.1 | -85.3 | 168.6 | 0 | 0 | 0 | 108.2 | F45 L228 I239 | F45-L241 HydrophobicContact CD2-CD1 3.64Å; F45-L241 HydrophobicContact CE2-CD1 3.9Å; F45-L241 HydrophobicContact CG-CD1 4.44Å; L228-L241 HydrophobicContact CB-CD2 4.22Å; I239-L241 VanDerWaalsContact C-N 3.32Å; I239-L241 PolarHBondContact O-N 3.3Å |
| 242 | D | 94.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 78 Ų | 78 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 142 | 171.5 | -169.4 | 60.5 | 0 | 0 | 0 | 109.8 | L228 K229 R231 I239 V244 | L228-D242 WeakPolarHBondContact CA-O 3.01Å; K229-D242 PolarHBondContact N-O 3.25Å; K229-D242 WeakPolarHBondContact O-CB 3.31Å; K229-D242 PolarHBondContact O-N 2.97Å; R231-D242 WeakPolarHBondContact CD-OD2 3.43Å; R231-D242 HydrophobicContact CG-CB 3.84Å; R231-D242 IonicContact CZ-OD1 3.71Å; R231-D242 IonicContact CZ-OD2 2.93Å; R231-D242 IonicContact NE-OD1 3.57Å; R231-D242 PolarHBondContact NE-OD1 3.05Å; R231-D242 IonicContact NE-OD2 2.68Å; R231-D242 PolarHBondContact NE-OD2 3.26Å; R231-D242 IonicContact NH2-OD1 2.7Å; R231-D242 PolarHBondContact NH2-OD1 3.4Å; R231-D242 IonicContact NH2-OD2 3.57Å; R231-D242 PolarHBondContact NH2-OD2 3.45Å; I239-D242 HydrophobicContact CB-CB 4.49Å; I239-D242 HydrophobicContact CG2-CB 3.85Å; D242-V244 VanDerWaalsContact OD2-CG2 3.26Å; D242-V244 WeakPolarHBondContact OD2-CG2 3.26Å |
| 243 | Q | 94.4 | Very high | 93.7 | Very high | 104 Ų | 104 | 74.3 Ų | 74.3 | 49% | 0.486 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 105.2 | -178.4 | -47.2 | -170.5 | 2 | 0 | 0 | 108.2 | L227 L228 | L227-Q243 WeakPolarHBondContact O-CA 3.48Å; L228-Q243 HydrophobicContact CD2-CB 4Å; L228-Q243 HydrophobicContact CD2-CG 3.57Å |
| 244 | V | 95.1 | Very high | 93.6 | Very high | 56 Ų | 56 | 78 Ų | 78 | 34% | 0.339 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.4 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | Q226 L227 D242 P274 | Q226-V244 CarbonylContact C-O 3.56Å; Q226-V244 WeakPolarHBondContact CA-O 3.35Å; L227-V244 HydrophobicContact CB-CB 4.34Å; L227-V244 PolarHBondContact N-O 3.04Å; L227-V244 PolarHBondContact O-N 3.47Å; D242-V244 VanDerWaalsContact OD2-CG2 3.26Å; D242-V244 WeakPolarHBondContact OD2-CG2 3.26Å; V244-P274 HydrophobicContact CG1-CB 4.4Å; V244-P274 HydrophobicContact CG1-CG 4.46Å |
| 245 | D | 95.7 | Very high | 93.6 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144.1 | 178.7 | -164 | 70.8 | 0 | 0 | 0 | 111.2 | ||
| 246 | I | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | trans | -113.9 | 110.4 | 175.2 | -63.9 | 168.2 | 0 | 0 | 0 | 106.8 | A225 L227 V248 H267 P274 F275 I290 | A225-I246 HydrophobicContact CB-CB 3.86Å; A225-I246 HydrophobicContact CB-CD1 4.3Å; A225-I246 HydrophobicContact CB-CG2 4.24Å; A225-I246 PolarHBondContact O-N 3.32Å; L227-I246 HydrophobicContact CB-CD1 4.02Å; L227-I246 HydrophobicContact CB-CG1 4.18Å; I246-V248 PolarHBondContact O-N 3.45Å; I246-H267 HydrophobicContact CG2-CB 3.8Å; I246-H267 VanDerWaalsContact CG2-ND1 3.34Å; I246-H267 WeakPolarHBondContact CG2-ND1 3.23Å; I246-P274 HydrophobicContact CG1-CG 4.39Å; I246-F275 HydrophobicContact CD1-CE2 3.7Å; I246-F275 HydrophobicContact CD1-CZ 3.98Å; I246-F275 HydrophobicContact CG1-CE2 4.01Å; I246-I290 HydrophobicContact CD1-CD1 4.36Å; I246-I290 HydrophobicContact CD1-CG1 4.29Å; I246-I290 HydrophobicContact CD1-CG2 3.68Å | ||
| 247 | D | 96.1 | Very high | 93.7 | Very high | 76 Ų | 76 | 72.6 Ų | 72.6 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | trans | -65.8 | 124 | -175.8 | -179 | 31 | 0 | 0 | 0 | 112.1 | G249 F250 H267 | D247-G249 WeakPolarHBondContact OD1-CA 3.3Å; D247-G249 PolarHBondContact OD1-N 3.37Å; D247-F250 PolarHBondContact OD1-N 3.18Å; D247-H267 PolarHBondContact O-ND1 2.57Å | ||
| 248 | V | 95.8 | Very high | 93.7 | Very high | 16 Ų | 16 | 73.8 Ų | 73.8 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -113.7 | 18.8 | 175.5 | -69 | 0 | 0 | 0 | 0 | 111.5 | W208 V223 A225 I246 D255 I265 | W208-V248 HydrophobicContact CH2-CG1 3.53Å; W208-V248 HydrophobicContact CZ2-CG1 3.92Å; V223-V248 HydrophobicContact CG2-CB 4.43Å; V223-V248 HydrophobicContact CG2-CG2 3.96Å; V223-V248 WeakPolarHBondContact O-CG2 3.21Å; A225-V248 HydrophobicContact CB-CG1 4.4Å; I246-V248 PolarHBondContact O-N 3.45Å; V248-D255 HydrophobicContact CG2-CB 4.14Å; V248-I265 HydrophobicContact CB-CG2 4.26Å; V248-I265 HydrophobicContact CG1-CG2 3.92Å |
| 249 | G | 92.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 93.7 | 37.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D247 S252 G253 V254 D255 | D247-G249 WeakPolarHBondContact OD1-CA 3.3Å; D247-G249 PolarHBondContact OD1-N 3.37Å; G249-S252 PolarHBondContact O-N 3.05Å; G249-S252 PolarHBondContact O-OG 3.45Å; G249-G253 PolarHBondContact O-N 3.29Å; G249-V254 PolarHBondContact O-N 3.17Å; G249-D255 PolarHBondContact O-N 3.31Å |
| 250 | F | 91.8 | Very high | 93.5 | Very high | 139 Ų | 139 | 70.2 Ų | 70.2 | 61% | 0.61 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -45.9 | 178.4 | 178.3 | -99.2 | 0 | 0 | 0 | 111.5 | D247 S252 G253 | D247-F250 PolarHBondContact OD1-N 3.18Å; F250-S252 VanDerWaalsContact C-N 3.29Å; F250-S252 PolarHBondContact O-N 3.48Å; F250-G253 WeakPolarHBondContact O-CA 3.46Å; F250-G253 PolarHBondContact O-N 3.27Å |
| 251 | D | 90.5 | Very high | 93.7 | Very high | 151 Ų | 151 | 67.7 Ų | 67.7 | 81% | 0.807 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.5 | -177.9 | -66.5 | -35 | 0 | 0 | 0 | 113.2 | G253 | D251-G253 VanDerWaalsContact C-N 3.34Š|
| 252 | S | 90.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 57% | 0.573 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.7 | 173.9 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | G249 F250 V254 | G249-S252 PolarHBondContact O-N 3.05Å; G249-S252 PolarHBondContact O-OG 3.45Å; F250-S252 VanDerWaalsContact C-N 3.29Å; F250-S252 PolarHBondContact O-N 3.48Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.84Å; S252-V254 VanDerWaalsContact OG-CG2 3.29Å; S252-V254 WeakPolarHBondContact OG-CG2 3.42Å |
| 253 | G | 90.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 65.1 Ų | 65.1 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 23.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G249 F250 D251 D255 R256 | G249-G253 PolarHBondContact O-N 3.29Å; F250-G253 WeakPolarHBondContact O-CA 3.46Å; F250-G253 PolarHBondContact O-N 3.27Å; D251-G253 VanDerWaalsContact C-N 3.34Å; G253-D255 VanDerWaalsContact C-N 3.32Å; G253-D255 VanDerWaalsContact C-OD1 3.28Å; G253-D255 VanDerWaalsContact CA-OD1 3.32Å; G253-D255 WeakPolarHBondContact CA-OD1 3.42Å; G253-R256 PolarHBondContact O-NE 3.01Å; G253-R256 PolarHBondContact O-NH2 3.45Å; G253-R256 VanDerWaalsContact O-NH2 3.09Å |
| 254 | V | 92.4 | Very high | 94.2 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | trans | -80.3 | -17.4 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | G249 S252 R256 | G249-V254 PolarHBondContact O-N 3.17Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.84Å; S252-V254 VanDerWaalsContact OG-CG2 3.29Å; S252-V254 WeakPolarHBondContact OG-CG2 3.42Å; V254-R256 PolarHBondContact O-N 3.26Å | ||
| 255 | D | 93.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -57.8 | -27.6 | 170.7 | 71.4 | -52 | 0 | 0 | 0 | 112.8 | H222 V223 V248 G249 G253 I257 | H222-D255 VanDerWaalsContact CA-O 3.26Å; H222-D255 WeakPolarHBondContact CA-O 3.49Å; V223-D255 WeakPolarHBondContact CG2-O 2.98Å; V223-D255 PolarHBondContact N-O 2.96Å; V223-D255 VanDerWaalsContact N-O 3.11Å; V248-D255 HydrophobicContact CG2-CB 4.14Å; G249-D255 PolarHBondContact O-N 3.31Å; G253-D255 VanDerWaalsContact C-N 3.32Å; G253-D255 VanDerWaalsContact C-OD1 3.28Å; G253-D255 VanDerWaalsContact CA-OD1 3.32Å; G253-D255 WeakPolarHBondContact CA-OD1 3.42Å; D255-I257 PolarHBondContact O-N 3.01Å |
| 256 | R | 95.4 | Very high | 94.4 | Very high | 174 Ų | 174 | 57.3 Ų | 57.3 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | B | Isolated β-bridge | trans | -77.3 | 114.9 | 174.7 | -60.2 | 169.5 | -60 | -178.3 | 2.9 | 110 | A221 H222 G253 V254 | A221-R256 CarbonylContact O-C 3.6Å; A221-R256 WeakPolarHBondContact O-CA 3.27Å; H222-R256 HydrophobicContact CB-CG 4.36Å; G253-R256 PolarHBondContact O-NE 3.01Å; G253-R256 PolarHBondContact O-NH2 3.45Å; G253-R256 VanDerWaalsContact O-NH2 3.09Å; V254-R256 PolarHBondContact O-N 3.26Å |
| 257 | I | 95.6 | Very high | 94.4 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | trans | -115.7 | 145.6 | -172.4 | 60.3 | 170.7 | 0 | 0 | 0 | 112.5 | V210 A221 V223 D255 L259 I263 I265 L294 | V210-I257 HydrophobicContact CG2-CD1 3.99Å; A221-I257 HydrophobicContact CB-CG1 3.95Å; A221-I257 PolarHBondContact O-N 3.13Å; V223-I257 HydrophobicContact CG1-CD1 3.86Å; D255-I257 PolarHBondContact O-N 3.01Å; I257-L259 HydrophobicContact CD1-CB 4.33Å; I257-L259 HydrophobicContact CD1-CD1 4.41Å; I257-I263 HydrophobicContact CB-CD1 4.03Å; I257-I263 HydrophobicContact CD1-CD1 4.5Å; I257-I265 HydrophobicContact CD1-CD1 4.21Å; I257-I265 HydrophobicContact CG2-CD1 4.26Å; I257-L294 HydrophobicContact CD1-CD1 3.97Å | ||
| 258 | F | 94.6 | Very high | 94.4 | Very high | 155 Ų | 155 | 57.8 Ų | 57.8 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | trans | -96.5 | 88.2 | 169.1 | -179 | -120.3 | 0 | 0 | 0 | 110.6 | H217 V260 I263 | H217-F258 AromaticContact ND1-CE2 3.97Å; F258-V260 HydrophobicContact CD1-CG2 3.89Å; F258-V260 HydrophobicContact CD2-CG2 4.44Å; F258-V260 HydrophobicContact CE1-CB 4.37Å; F258-V260 HydrophobicContact CE1-CG2 3.3Å; F258-V260 HydrophobicContact CE2-CG2 3.92Å; F258-V260 HydrophobicContact CG-CG2 4.44Å; F258-V260 HydrophobicContact CZ-CG2 3.32Å; F258-V260 PolarHBondContact O-N 3.41Å; F258-V260 VanDerWaalsContact O-N 3.08Å; F258-I263 WeakPolarHBondContact O-CD1 3.35Å | ||
| 259 | L | 94.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | trans | -83.2 | 83.6 | -169.9 | -171.1 | 65.4 | 0 | 0 | 0 | 113.4 | L189 V210 N212 I257 I263 L294 | L189-L259 HydrophobicContact CD2-CD2 4.24Å; V210-L259 HydrophobicContact CG2-CD1 3.95Å; N212-L259 HydrophobicContact CB-CD2 4.06Å; N212-L259 HydrophobicContact CB-CG 4.12Å; I257-L259 HydrophobicContact CD1-CB 4.33Å; I257-L259 HydrophobicContact CD1-CD1 4.41Å; L259-I263 HydrophobicContact CD1-CB 4.36Å; L259-I263 HydrophobicContact CD1-CD1 4.13Å; L259-I263 HydrophobicContact CD1-CG1 4.1Å; L259-L294 HydrophobicContact CD2-CD2 3.99Å | ||
| 260 | V | 92 | Very high | 94.4 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -101.9 | -59.8 | 171 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | F258 | F258-V260 HydrophobicContact CD1-CG2 3.89Å; F258-V260 HydrophobicContact CD2-CG2 4.44Å; F258-V260 HydrophobicContact CE1-CB 4.37Å; F258-V260 HydrophobicContact CE1-CG2 3.3Å; F258-V260 HydrophobicContact CE2-CG2 3.92Å; F258-V260 HydrophobicContact CG-CG2 4.44Å; F258-V260 HydrophobicContact CZ-CG2 3.32Å; F258-V260 PolarHBondContact O-N 3.41Å; F258-V260 VanDerWaalsContact O-N 3.08Å |
| 261 | S | 93.9 | Very high | 94.5 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -94.5 | 161.1 | 168.9 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | I263 | S261-I263 WeakPolarHBondContact O-CG1 2.96Å; S261-I263 PolarHBondContact O-N 3.29Å |
| 262 | P | 96.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | trans | -51.1 | 125.8 | 172.4 | -32.6 | 39.5 | 0 | 0 | 0 | 113.4 | R209 V210 V325 V335 Y337 F340 | R209-P262 HydrophobicContact CG-CB 4.24Å; V210-P262 CarbonylContact O-C 3.59Å; V210-P262 VanDerWaalsContact O-CA 3.22Å; V210-P262 WeakPolarHBondContact O-CA 3.08Å; P262-V325 HydrophobicContact CB-CG2 3.89Å; P262-V325 HydrophobicContact CG-CG2 3.9Å; P262-V335 HydrophobicContact CG-CG1 3.9Å; P262-Y337 HydrophobicContact CG-CE1 3.78Å; P262-F340 HydrophobicContact CB-CD2 3.85Å; P262-F340 HydrophobicContact CB-CE2 3.71Å; P262-F340 HydrophobicContact CG-CD2 3.76Å; P262-F340 HydrophobicContact CG-CE2 3.91Å | ||
| 263 | I | 96.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137 | 178.6 | -62.4 | 175.8 | 0 | 0 | 0 | 108.6 | R209 V210 I257 F258 L259 S261 I265 | R209-I263 WeakPolarHBondContact CA-O 3.49Å; R209-I263 WeakPolarHBondContact CG-O 3.37Å; V210-I263 HydrophobicContact CG2-CB 4.28Å; V210-I263 PolarHBondContact N-O 3.13Å; V210-I263 PolarHBondContact O-N 2.86Å; I257-I263 HydrophobicContact CB-CD1 4.03Å; I257-I263 HydrophobicContact CD1-CD1 4.5Å; F258-I263 WeakPolarHBondContact O-CD1 3.35Å; L259-I263 HydrophobicContact CD1-CB 4.36Å; L259-I263 HydrophobicContact CD1-CD1 4.13Å; L259-I263 HydrophobicContact CD1-CG1 4.1Å; S261-I263 WeakPolarHBondContact O-CG1 2.96Å; S261-I263 PolarHBondContact O-N 3.29Å; I263-I265 HydrophobicContact CG2-CD1 4Å |
| 264 | T | 97.3 | Very high | 94.8 | Very high | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.1 | 168.1 | -60.5 | 0 | 0 | 0 | 0 | 108.3 | M207 W208 F322 | M207-T264 HydrophobicContact CB-CG2 3.76Å; M207-T264 HydrophobicContact CG-CG2 4.14Å; M207-T264 HydrophobicContact SD-CG2 4.2Å; W208-T264 CarbonylContact O-C 3.49Å; W208-T264 WeakPolarHBondContact O-CA 3.3Å; T264-F322 HydrophobicContact CG2-CD2 4.03Å; T264-F322 HydrophobicContact CG2-CE2 4.35Å |
| 265 | I | 97.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 140.6 | 172.5 | -50.4 | -53.6 | 0 | 0 | 0 | 108.2 | M207 W208 V210 V223 V248 I257 I263 | M207-I265 VanDerWaalsContact CA-O 3.23Å; M207-I265 WeakPolarHBondContact CA-O 3.41Å; W208-I265 HydrophobicContact CD2-CB 4.09Å; W208-I265 HydrophobicContact CD2-CG2 4.41Å; W208-I265 HydrophobicContact CG-CB 4.42Å; W208-I265 HydrophobicContact CH2-CG2 3.9Å; W208-I265 HydrophobicContact CZ2-CB 3.92Å; W208-I265 HydrophobicContact CZ2-CG2 3.37Å; W208-I265 PolarHBondContact N-O 3.33Å; W208-I265 PolarHBondContact O-N 3.42Å; V210-I265 HydrophobicContact CG1-CG1 4.15Å; V210-I265 HydrophobicContact CG2-CD1 3.84Å; V210-I265 HydrophobicContact CG2-CG1 3.96Å; V223-I265 HydrophobicContact CG1-CD1 3.94Å; V223-I265 HydrophobicContact CG1-CG1 4.2Å; V223-I265 HydrophobicContact CG2-CD1 4.01Å; V223-I265 HydrophobicContact CG2-CG1 4.42Å; V223-I265 HydrophobicContact CG2-CG2 3.96Å; V248-I265 HydrophobicContact CB-CG2 4.26Å; V248-I265 HydrophobicContact CG1-CG2 3.92Å; I257-I265 HydrophobicContact CD1-CD1 4.21Å; I257-I265 HydrophobicContact CG2-CD1 4.26Å; I263-I265 HydrophobicContact CG2-CD1 4Å |
| 266 | V | 96.9 | Very high | 95 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.9 | -173.5 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | C205 M207 | C205-V266 HydrophobicContact CB-CG1 3.61Å; M207-V266 HydrophobicContact CG-CG1 4.29Å; M207-V266 HydrophobicContact CG-CG2 4.25Å |
| 267 | H | 97.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.9 | 162.8 | 167.6 | 63.4 | 0 | 0 | 0 | 107.8 | C205 L206 W208 I246 D247 S273 F275 | C205-H267 CarbonylContact C-O 3.55Å; C205-H267 WeakPolarHBondContact CA-O 3.33Å; C205-H267 WeakPolarHBondContact CB-O 3.43Å; L206-H267 HydrophobicContact CB-CB 4.26Å; L206-H267 PolarHBondContact N-O 3.33Å; L206-H267 PolarHBondContact O-N 2.84Å; W208-H267 HydrophobicContact CZ3-CB 4.32Å; I246-H267 HydrophobicContact CG2-CB 3.8Å; I246-H267 VanDerWaalsContact CG2-ND1 3.34Å; I246-H267 WeakPolarHBondContact CG2-ND1 3.23Å; D247-H267 PolarHBondContact O-ND1 2.57Å; H267-S273 PolarHBondContact CE1-OG 2.99Å; H267-S273 PolarHBondContact NE2-OG 3.45Å; H267-F275 AromaticContact NE2-CD2 3.89Å |
| 268 | E | 95.9 | Very high | 94.7 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.5 | 172.1 | -179.5 | 178.7 | 148.8 | 0 | 0 | 109.4 | K203 S270 | K203-E268 HydrophobicContact CB-CG 4.39Å; K203-E268 HydrophobicContact CD-CG 3.85Å; K203-E268 WeakPolarHBondContact CD-OE1 3.48Å; K203-E268 VanDerWaalsContact CD-OE2 3.23Å; K203-E268 WeakPolarHBondContact CD-OE2 3.39Å; K203-E268 WeakPolarHBondContact CE-OE1 3.41Å; K203-E268 IonicContact NZ-OE1 2.69Å; K203-E268 PolarHBondContact NZ-OE1 2.87Å; K203-E268 IonicContact NZ-OE2 2.7Å; K203-E268 PolarHBondContact NZ-OE2 2.96Å; E268-S270 VanDerWaalsContact C-N 3.28Å; E268-S270 PolarHBondContact O-N 3.12Å |
| 269 | I | 96.1 | Very high | 94.7 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | trans | -83.2 | 81 | 175.4 | -54.3 | 177.1 | 0 | 0 | 0 | 107.8 | V197 L204 F275 A354 | V197-I269 HydrophobicContact CG1-CD1 4.33Å; L204-I269 HydrophobicContact CD2-CD1 4.1Å; L204-I269 HydrophobicContact CG-CD1 4.13Å; L204-I269 WeakPolarHBondContact O-CB 3.39Å; L204-I269 PolarHBondContact O-N 3.18Å; I269-F275 HydrophobicContact CD1-CB 4.17Å; I269-F275 HydrophobicContact CG1-CB 4.34Å; I269-F275 HydrophobicContact CG2-CB 3.94Å; I269-F275 WeakPolarHBondContact CG2-O 3.29Å; I269-A354 HydrophobicContact CB-CB 4.19Å; I269-A354 HydrophobicContact CG2-CB 3.58Å | ||
| 270 | S | 92.3 | Very high | 94.7 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | trans | -90.1 | -178.3 | 174.4 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | E268 D272 S273 Y276 | E268-S270 VanDerWaalsContact C-N 3.28Å; E268-S270 PolarHBondContact O-N 3.12Å; S270-D272 PolarHBondContact O-N 2.59Å; S270-S273 WeakPolarHBondContact O-CB 3.33Å; S270-S273 PolarHBondContact O-N 2.9Å; S270-Y276 VanDerWaalsContact C-CD2 3.47Å; S270-Y276 WeakPolarHBondContact O-CB 3.47Å; S270-Y276 WeakPolarHBondContact O-CD2 3.3Å | ||
| 271 | E | 93.1 | Very high | 94.7 | Very high | 145 Ų | 145 | 51.4 Ų | 51.4 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.7 | 178.2 | -67.8 | 178.1 | -172.1 | 0 | 0 | 113.3 | S273 Y276 | E271-S273 VanDerWaalsContact C-N 3.29Å; E271-S273 PolarHBondContact O-N 3.04Å; E271-Y276 HydrophobicContact CB-CE1 4.43Å; E271-Y276 HydrophobicContact CG-CE1 3.98Å; E271-Y276 HydrophobicContact CG-CE2 3.92Å |
| 272 | D | 91.9 | Very high | 94.6 | Very high | 155 Ų | 155 | 54 Ų | 54 | 83% | 0.829 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.9 | 178.5 | -57.4 | -51 | 0 | 0 | 0 | 112.9 | S270 | S270-D272 PolarHBondContact O-N 2.59Š|
| 273 | S | 94.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -73.3 | 138.4 | -178.9 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | H267 S270 E271 F275 Y276 | H267-S273 PolarHBondContact CE1-OG 2.99Å; H267-S273 PolarHBondContact NE2-OG 3.45Å; S270-S273 WeakPolarHBondContact O-CB 3.33Å; S270-S273 PolarHBondContact O-N 2.9Å; E271-S273 VanDerWaalsContact C-N 3.29Å; E271-S273 PolarHBondContact O-N 3.04Å; S273-F275 PolarHBondContact O-N 3.21Å; S273-F275 PolarHBondContact OG-N 3.39Å; S273-F275 VanDerWaalsContact OG-N 3.16Å; S273-Y276 WeakPolarHBondContact O-CB 3.28Å; S273-Y276 PolarHBondContact O-N 3.31Å; S273-Y276 VanDerWaalsContact O-N 3.07Å |
| 274 | P | 93.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 58 Ų | 58 | 34% | 0.338 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10 | 172.6 | 29.4 | -36.2 | 0 | 0 | 0 | 113.3 | L227 V244 I246 | L227-P274 HydrophobicContact CD2-CB 3.66Å; L227-P274 HydrophobicContact CD2-CG 3.94Å; V244-P274 HydrophobicContact CG1-CB 4.4Å; V244-P274 HydrophobicContact CG1-CG 4.46Å; I246-P274 HydrophobicContact CG1-CG 4.39Å |
| 275 | F | 94.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.3 | 177.7 | -54.5 | -70.9 | 0 | 0 | 0 | 113.5 | L206 L227 I246 H267 I269 S273 D277 M278 F288 I290 | L206-F275 HydrophobicContact CD2-CE2 4.08Å; L227-F275 HydrophobicContact CD1-CE1 4.03Å; L227-F275 HydrophobicContact CD1-CZ 3.88Å; L227-F275 HydrophobicContact CD2-CE1 4.28Å; L227-F275 HydrophobicContact CD2-CZ 4.21Å; L227-F275 HydrophobicContact CG-CZ 4.43Å; I246-F275 HydrophobicContact CD1-CE2 3.7Å; I246-F275 HydrophobicContact CD1-CZ 3.98Å; I246-F275 HydrophobicContact CG1-CE2 4.01Å; H267-F275 AromaticContact NE2-CD2 3.89Å; I269-F275 HydrophobicContact CD1-CB 4.17Å; I269-F275 HydrophobicContact CG1-CB 4.34Å; I269-F275 HydrophobicContact CG2-CB 3.94Å; I269-F275 WeakPolarHBondContact CG2-O 3.29Å; S273-F275 PolarHBondContact O-N 3.21Å; S273-F275 PolarHBondContact OG-N 3.39Å; S273-F275 VanDerWaalsContact OG-N 3.16Å; F275-D277 PolarHBondContact O-N 3.25Å; F275-M278 HydrophobicContact CB-CB 4.41Å; F275-M278 HydrophobicContact CD1-CE 3.74Å; F275-M278 HydrophobicContact CD1-SD 3.82Å; F275-M278 HydrophobicContact CE1-CE 4.25Å; F275-M278 HydrophobicContact CE1-SD 4.47Å; F275-M278 VanDerWaalsContact O-CB 3.29Å; F275-M278 WeakPolarHBondContact O-CB 3.34Å; F275-M278 PolarHBondContact O-N 3.02Å; F275-F288 HydrophobicContact CD1-CZ 4.46Å; F275-F288 HydrophobicContact CE1-CD2 4.37Å; F275-F288 HydrophobicContact CE1-CE1 4.48Å; F275-F288 AromaticContact CE1-CE2 3.75Å; F275-F288 HydrophobicContact CE1-CE2 3.75Å; F275-F288 AromaticContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CZ-CE2 4.35Å; F275-I290 HydrophobicContact CE1-CD1 4.11Å; F275-I290 HydrophobicContact CE2-CD1 4.12Å; F275-I290 HydrophobicContact CZ-CD1 3.42Å; F275-I290 VanDerWaalsContact CZ-CD1 3.42Å; F275-I290 HydrophobicContact CZ-CG1 3.94Å |
| 276 | Y | 94.7 | Very high | 93.5 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -44.6 | -172.5 | -172.6 | -123.1 | 0 | 0 | 0 | 113.9 | S270 E271 S273 M278 A354 R355 A358 | S270-Y276 VanDerWaalsContact C-CD2 3.47Å; S270-Y276 WeakPolarHBondContact O-CB 3.47Å; S270-Y276 WeakPolarHBondContact O-CD2 3.3Å; E271-Y276 HydrophobicContact CB-CE1 4.43Å; E271-Y276 HydrophobicContact CG-CE1 3.98Å; E271-Y276 HydrophobicContact CG-CE2 3.92Å; S273-Y276 WeakPolarHBondContact O-CB 3.28Å; S273-Y276 PolarHBondContact O-N 3.31Å; S273-Y276 VanDerWaalsContact O-N 3.07Å; Y276-M278 VanDerWaalsContact C-N 3.29Å; Y276-M278 PolarHBondContact O-N 3.27Å; Y276-A354 HydrophobicContact CD2-CB 3.8Å; Y276-A354 HydrophobicContact CE2-CB 4.11Å; Y276-A354 PolarHBondContact O-N 3.47Å; Y276-R355 HydrophobicContact CD1-CB 3.88Å; Y276-R355 HydrophobicContact CD1-CG 4.4Å; Y276-R355 HydrophobicContact CE1-CB 3.55Å; Y276-R355 HydrophobicContact CE1-CG 3.76Å; Y276-R355 HydrophobicContact CE2-CB 4.23Å; Y276-R355 HydrophobicContact CG-CB 4.37Å; Y276-R355 PolarHBondContact O-N 3.42Å; Y276-R355 VanDerWaalsContact O-N 3.08Å; Y276-A358 WeakPolarHBondContact OH-CB 3.43Å |
| 277 | D | 92.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 67.4 Ų | 67.4 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.2 | 178.2 | -67.1 | -50.8 | 0 | 0 | 0 | 113.5 | F275 Q282 S353 R355 | F275-D277 PolarHBondContact O-N 3.25Å; D277-Q282 PolarHBondContact O-OE1 2.87Å; D277-S353 VanDerWaalsContact C-CB 3.48Å; D277-R355 WeakPolarHBondContact OD1-CD 3.3Å; D277-R355 IonicContact OD1-CZ 3.8Å; D277-R355 IonicContact OD1-NE 3.8Å; D277-R355 IonicContact OD1-NH1 3.47Å; D277-R355 PolarHBondContact OD1-NH1 3.44Å |
| 278 | M | 93.1 | Very high | 93.1 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 14% | 0.143 | 35% | 0.346 | C | S | . | . | trans | -89.4 | 120 | -171 | -167.9 | 173.3 | -66.6 | 0 | 0 | 112.6 | F275 Y276 Q282 L283 F288 W318 S353 | F275-M278 HydrophobicContact CB-CB 4.41Å; F275-M278 HydrophobicContact CD1-CE 3.74Å; F275-M278 HydrophobicContact CD1-SD 3.82Å; F275-M278 HydrophobicContact CE1-CE 4.25Å; F275-M278 HydrophobicContact CE1-SD 4.47Å; F275-M278 VanDerWaalsContact O-CB 3.29Å; F275-M278 WeakPolarHBondContact O-CB 3.34Å; F275-M278 PolarHBondContact O-N 3.02Å; Y276-M278 VanDerWaalsContact C-N 3.29Å; Y276-M278 PolarHBondContact O-N 3.27Å; M278-Q282 HydrophobicContact CG-CB 4.28Å; M278-L283 HydrophobicContact CG-CB 4.48Å; M278-L283 HydrophobicContact SD-CB 4.27Å; M278-L283 HydrophobicContact SD-CD1 3.89Å; M278-F288 HydrophobicContact CE-CD1 4.17Å; M278-F288 HydrophobicContact CE-CE1 3.48Å; M278-F288 VanDerWaalsContact CE-CE1 3.48Å; M278-F288 HydrophobicContact CE-CZ 4.06Å; M278-F288 HydrophobicContact SD-CE1 3.71Å; M278-F288 HydrophobicContact SD-CZ 3.89Å; M278-W318 WeakPolarHBondContact O-CH2 3.1Å; M278-S353 WeakPolarHBondContact O-CA 3.45Å | ||
| 279 | S | 94.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | trans | -94.8 | 170 | 171.6 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | Q281 Q282 L283 | S279-Q281 VanDerWaalsContact C-N 3.32Å; S279-Q281 PolarHBondContact O-N 2.94Å; S279-Q282 PolarHBondContact O-N 3.38Å; S279-Q282 WeakPolarHBondContact OG-CG 3.29Å; S279-Q282 PolarHBondContact OG-N 3.27Å; S279-Q282 PolarHBondContact OG-OE1 3.07Å; S279-L283 PolarHBondContact O-N 3.39Å | ||
| 280 | K | 93.5 | Very high | 93.1 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 30% | 0.296 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 175.7 | -178.8 | 179.1 | 177.2 | 179.9 | 0 | 112.8 | Q282 L283 E284 W318 L351 | K280-Q282 VanDerWaalsContact C-N 3.33Å; K280-Q282 PolarHBondContact O-N 3.42Å; K280-L283 WeakPolarHBondContact O-CB 3.15Å; K280-L283 PolarHBondContact O-N 3.44Å; K280-E284 WeakPolarHBondContact CE-OE1 3.32Å; K280-E284 PolarHBondContact O-N 2.82Å; K280-W318 HydrophobicContact CB-CB 4.42Å; K280-W318 HydrophobicContact CB-CD2 3.75Å; K280-W318 HydrophobicContact CB-CE3 4.22Å; K280-W318 HydrophobicContact CB-CG 3.82Å; K280-W318 HydrophobicContact CD-CB 4.11Å; K280-W318 HydrophobicContact CD-CG 4.02Å; K280-W318 HydrophobicContact CG-CB 3.87Å; K280-W318 HydrophobicContact CG-CD2 4.2Å; K280-W318 HydrophobicContact CG-CG 3.77Å; K280-L351 HydrophobicContact CB-CB 4.49Å; K280-L351 HydrophobicContact CD-CD2 3.7Å; K280-L351 PolarHBondContact N-O 2.85Å; K280-L351 VanDerWaalsContact N-O 3.16Å |
| 281 | Q | 92.8 | Very high | 93.4 | Very high | 153 Ų | 153 | 62.1 Ų | 62.1 | 72% | 0.715 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.4 | -36.2 | -178.8 | -68.4 | 179.6 | -11.2 | 0 | 0 | 111.9 | S279 T285 | S279-Q281 VanDerWaalsContact C-N 3.32Å; S279-Q281 PolarHBondContact O-N 2.94Å; Q281-T285 PolarHBondContact O-N 3.29Å; Q281-T285 PolarHBondContact O-OG1 3.11Å; Q281-T285 VanDerWaalsContact O-OG1 3.14Å |
| 282 | Q | 91.9 | Very high | 93.6 | Very high | 90 Ų | 90 | 55.2 Ų | 55.2 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 174.8 | -74.3 | 164.4 | -43.5 | 0 | 0 | 111.3 | D277 M278 S279 K280 E284 T285 S286 | D277-Q282 PolarHBondContact O-OE1 2.87Å; M278-Q282 HydrophobicContact CG-CB 4.28Å; S279-Q282 PolarHBondContact O-N 3.38Å; S279-Q282 WeakPolarHBondContact OG-CG 3.29Å; S279-Q282 PolarHBondContact OG-N 3.27Å; S279-Q282 PolarHBondContact OG-OE1 3.07Å; K280-Q282 VanDerWaalsContact C-N 3.33Å; K280-Q282 PolarHBondContact O-N 3.42Å; Q282-E284 VanDerWaalsContact C-N 3.3Å; Q282-E284 PolarHBondContact O-N 3.34Å; Q282-T285 PolarHBondContact O-N 2.76Å; Q282-T285 PolarHBondContact O-OG1 3.31Å; Q282-S286 WeakPolarHBondContact O-CB 3.31Å; Q282-S286 PolarHBondContact O-N 3.08Å; Q282-S286 PolarHBondContact O-OG 3.39Å |
| 283 | L | 92.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | 176 | 179.1 | 65.4 | 0 | 0 | 0 | 111.7 | M278 S279 K280 T285 S286 F288 A313 I316 W318 | M278-L283 HydrophobicContact CG-CB 4.48Å; M278-L283 HydrophobicContact SD-CB 4.27Å; M278-L283 HydrophobicContact SD-CD1 3.89Å; S279-L283 PolarHBondContact O-N 3.39Å; K280-L283 WeakPolarHBondContact O-CB 3.15Å; K280-L283 PolarHBondContact O-N 3.44Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 3.24Å; L283-S286 PolarHBondContact O-N 2.96Å; L283-F288 HydrophobicContact CD1-CE1 3.97Å; L283-F288 HydrophobicContact CD1-CZ 3.47Å; L283-F288 VanDerWaalsContact CD1-CZ 3.47Å; L283-A313 HydrophobicContact CD1-CB 4.26Å; L283-I316 HydrophobicContact CD1-CB 4.34Å; L283-I316 HydrophobicContact CD1-CD1 4.19Å; L283-I316 HydrophobicContact CD2-CB 4.07Å; L283-I316 HydrophobicContact CD2-CG2 3.86Å; L283-W318 HydrophobicContact CD2-CB 4.46Å; L283-W318 HydrophobicContact CD2-CE3 3.84Å |
| 284 | E | 90.4 | Very high | 93.9 | Very high | 136 Ų | 136 | 48.2 Ų | 48.2 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66 | -26.5 | -180 | -69.9 | 173 | -174 | 0 | 0 | 113.5 | K280 Q282 | K280-E284 WeakPolarHBondContact CE-OE1 3.32Å; K280-E284 PolarHBondContact O-N 2.82Å; Q282-E284 VanDerWaalsContact C-N 3.3Å; Q282-E284 PolarHBondContact O-N 3.34Å |
| 285 | T | 90.7 | Very high | 93.9 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 71% | 0.706 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -101 | -11.2 | -179.4 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | Q281 Q282 L283 | Q281-T285 PolarHBondContact O-N 3.29Å; Q281-T285 PolarHBondContact O-OG1 3.11Å; Q281-T285 VanDerWaalsContact O-OG1 3.14Å; Q282-T285 PolarHBondContact O-N 2.76Å; Q282-T285 PolarHBondContact O-OG1 3.31Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 3.24Å |
| 286 | S | 90 | Very high | 93.9 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 20% | 0.203 | 24% | 0.237 | C | C | . | . | trans | -79.6 | 146.1 | -175.2 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | Q282 L283 A313 | Q282-S286 WeakPolarHBondContact O-CB 3.31Å; Q282-S286 PolarHBondContact O-N 3.08Å; Q282-S286 PolarHBondContact O-OG 3.39Å; L283-S286 PolarHBondContact O-N 2.96Å; S286-A313 VanDerWaalsContact O-CB 3.3Å; S286-A313 WeakPolarHBondContact O-CB 3.3Å | ||
| 287 | E | 91.5 | Very high | 93.8 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | trans | -111.3 | 101.4 | 173.7 | -51 | -156.4 | 121.4 | 0 | 0 | 109.4 | Q42 | Q42-E287 PolarHBondContact NE2-OE1 2.95Š| ||
| 288 | F | 93.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | trans | -156 | 165.6 | 172.1 | 64 | -98.5 | 0 | 0 | 0 | 110.7 | L227 K229 F275 M278 L283 I290 A313 I316 | L227-F288 HydrophobicContact CD1-CB 3.71Å; L227-F288 HydrophobicContact CD1-CD2 3.36Å; L227-F288 HydrophobicContact CD1-CE2 4.14Å; L227-F288 HydrophobicContact CD1-CG 3.68Å; K229-F288 HydrophobicContact CB-CB 4.21Å; K229-F288 HydrophobicContact CG-CB 4.28Å; F275-F288 HydrophobicContact CD1-CZ 4.46Å; F275-F288 HydrophobicContact CE1-CD2 4.37Å; F275-F288 HydrophobicContact CE1-CE1 4.48Å; F275-F288 AromaticContact CE1-CE2 3.75Å; F275-F288 HydrophobicContact CE1-CE2 3.75Å; F275-F288 AromaticContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CZ-CE2 4.35Å; M278-F288 HydrophobicContact CE-CD1 4.17Å; M278-F288 HydrophobicContact CE-CE1 3.48Å; M278-F288 VanDerWaalsContact CE-CE1 3.48Å; M278-F288 HydrophobicContact CE-CZ 4.06Å; M278-F288 HydrophobicContact SD-CE1 3.71Å; M278-F288 HydrophobicContact SD-CZ 3.89Å; L283-F288 HydrophobicContact CD1-CE1 3.97Å; L283-F288 HydrophobicContact CD1-CZ 3.47Å; L283-F288 VanDerWaalsContact CD1-CZ 3.47Å; F288-I290 HydrophobicContact CD2-CG1 4.02Å; F288-I290 HydrophobicContact CE2-CD1 3.97Å; F288-I290 HydrophobicContact CE2-CG1 3.84Å; F288-A313 HydrophobicContact CD1-CB 4.21Å; F288-A313 HydrophobicContact CE1-CB 3.89Å; F288-A313 HydrophobicContact CE2-CB 4.28Å; F288-A313 HydrophobicContact CZ-CB 3.94Å; F288-A313 PolarHBondContact O-N 3.24Å; F288-I316 HydrophobicContact CE2-CD1 3.73Å; F288-I316 HydrophobicContact CZ-CD1 4.06Å | ||
| 289 | E | 96.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.2 | 175.7 | 178.7 | 177.1 | 179.1 | 0 | 0 | 110 | R44 F45 V46 L228 V291 S310 L312 | R44-E289 WeakPolarHBondContact CG-OE1 3.24Å; F45-E289 WeakPolarHBondContact CB-OE2 3.21Å; F45-E289 PolarHBondContact N-OE2 3.3Å; V46-E289 PolarHBondContact N-OE1 3.35Å; L228-E289 WeakPolarHBondContact CA-O 3.37Å; L228-E289 HydrophobicContact CB-CB 4.3Å; L228-E289 WeakPolarHBondContact CB-O 3.11Å; L228-E289 PolarHBondContact N-O 2.64Å; L228-E289 PolarHBondContact O-N 3.09Å; E289-V291 HydrophobicContact CG-CG2 4.34Å; E289-S310 WeakPolarHBondContact OE1-CB 3.4Å; E289-S310 PolarHBondContact OE1-OG 3.33Å; E289-L312 HydrophobicContact CB-CD2 4.06Å; E289-L312 HydrophobicContact CG-CD2 4.13Å |
| 290 | I | 97.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.5 | 171.8 | -58.1 | -177.7 | 0 | 0 | 0 | 108 | L206 Q226 L227 I246 F275 F288 V292 S310 Y311 I316 | L206-I290 HydrophobicContact CD2-CD1 3.49Å; L206-I290 VanDerWaalsContact CD2-CD1 3.49Å; Q226-I290 CarbonylContact O-C 3.5Å; Q226-I290 WeakPolarHBondContact O-CA 3.4Å; L227-I290 HydrophobicContact CD1-CG1 4.22Å; I246-I290 HydrophobicContact CD1-CD1 4.36Å; I246-I290 HydrophobicContact CD1-CG1 4.29Å; I246-I290 HydrophobicContact CD1-CG2 3.68Å; F275-I290 HydrophobicContact CE1-CD1 4.11Å; F275-I290 HydrophobicContact CE2-CD1 4.12Å; F275-I290 HydrophobicContact CZ-CD1 3.42Å; F275-I290 VanDerWaalsContact CZ-CD1 3.42Å; F275-I290 HydrophobicContact CZ-CG1 3.94Å; F288-I290 HydrophobicContact CD2-CG1 4.02Å; F288-I290 HydrophobicContact CE2-CD1 3.97Å; F288-I290 HydrophobicContact CE2-CG1 3.84Å; I290-V292 HydrophobicContact CG2-CG1 4.15Å; I290-S310 CarbonylContact O-C 3.51Å; I290-S310 WeakPolarHBondContact O-CA 3.36Å; I290-S310 WeakPolarHBondContact O-CB 3.29Å; I290-Y311 PolarHBondContact N-O 2.85Å; I290-Y311 PolarHBondContact O-N 3.47Å; I290-I316 HydrophobicContact CD1-CD1 3.6Å; I290-I316 HydrophobicContact CG1-CD1 4.34Å |
| 291 | V | 97.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.5 | 172.3 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | V46 A225 Q226 L228 E289 I293 | V46-V291 HydrophobicContact CB-CG2 4.22Å; V46-V291 HydrophobicContact CG2-CG1 4.1Å; V46-V291 HydrophobicContact CG2-CG2 3.82Å; A225-V291 CarbonylContact C-O 3.42Å; A225-V291 WeakPolarHBondContact CA-O 3.27Å; Q226-V291 PolarHBondContact N-O 3.12Å; Q226-V291 PolarHBondContact O-N 3.36Å; L228-V291 HydrophobicContact CD1-CG2 3.41Å; L228-V291 VanDerWaalsContact CD1-CG2 3.41Å; L228-V291 HydrophobicContact CG-CG2 3.94Å; E289-V291 HydrophobicContact CG-CG2 4.34Å; V291-I293 HydrophobicContact CG1-CG1 4.19Å |
| 292 | V | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.5 | 176.4 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | F191 W208 A225 I290 R308 S309 Y311 | F191-V292 HydrophobicContact CD1-CG2 3.62Å; F191-V292 HydrophobicContact CE1-CB 4.24Å; F191-V292 HydrophobicContact CE1-CG2 3.62Å; F191-V292 HydrophobicContact CG-CG2 4.37Å; F191-V292 HydrophobicContact CZ-CG2 4.36Å; W208-V292 HydrophobicContact CD2-CG1 3.9Å; W208-V292 HydrophobicContact CE3-CG1 4.44Å; W208-V292 HydrophobicContact CG-CG1 4.28Å; W208-V292 HydrophobicContact CH2-CG1 4.38Å; W208-V292 HydrophobicContact CZ2-CG1 3.82Å; A225-V292 HydrophobicContact CB-CG1 4.3Å; I290-V292 HydrophobicContact CG2-CG1 4.15Å; V292-R308 VanDerWaalsContact O-CA 3.29Å; V292-R308 WeakPolarHBondContact O-CA 3.5Å; V292-S309 PolarHBondContact N-O 3.47Å; V292-S309 PolarHBondContact O-N 3Å; V292-Y311 HydrophobicContact CB-CE2 4.45Å; V292-Y311 HydrophobicContact CG1-CD2 4.08Å; V292-Y311 HydrophobicContact CG1-CE2 3.86Å; V292-Y311 HydrophobicContact CG2-CD2 4.37Å; V292-Y311 HydrophobicContact CG2-CE2 3.7Å |
| 293 | I | 96.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.7 | -174.1 | -49.2 | -177.8 | 0 | 0 | 0 | 108.1 | V223 R224 V291 E295 Q306 C307 R308 | V223-I293 WeakPolarHBondContact CA-O 3.23Å; R224-I293 HydrophobicContact CB-CB 4.28Å; R224-I293 PolarHBondContact N-O 2.97Å; R224-I293 PolarHBondContact O-N 2.86Å; V291-I293 HydrophobicContact CG1-CG1 4.19Å; I293-E295 HydrophobicContact CG2-CG 3.97Å; I293-Q306 HydrophobicContact CG2-CG 3.5Å; I293-C307 WeakPolarHBondContact CA-O 3.31Å; I293-R308 HydrophobicContact CG1-CG 4.19Å; I293-R308 HydrophobicContact CG2-CG 4.18Å |
| 294 | L | 96 | Very high | 92.7 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.8 | 170.8 | 174.2 | 65.7 | 0 | 0 | 0 | 107.8 | L189 F191 L218 A221 V223 I257 L259 Q306 C307 | L189-L294 HydrophobicContact CB-CD2 4.36Å; L189-L294 HydrophobicContact CD1-CD2 4.06Å; L189-L294 HydrophobicContact CD2-CD2 4.19Å; L189-L294 HydrophobicContact CG-CD2 4.43Å; F191-L294 HydrophobicContact CE1-CB 4.3Å; F191-L294 HydrophobicContact CZ-CB 3.72Å; L218-L294 HydrophobicContact CD2-CD1 4.25Å; L218-L294 HydrophobicContact CD2-CD2 4.15Å; L218-L294 HydrophobicContact CD2-CG 4.11Å; A221-L294 HydrophobicContact CB-CD1 4.5Å; V223-L294 HydrophobicContact CG1-CD1 3.67Å; I257-L294 HydrophobicContact CD1-CD1 3.97Å; L259-L294 HydrophobicContact CD2-CD2 3.99Å; L294-Q306 WeakPolarHBondContact O-CA 3.28Å; L294-C307 PolarHBondContact N-O 3.17Å; L294-C307 PolarHBondContact O-N 3.39Å |
| 295 | E | 94.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 45 Ų | 45 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 150 | 178.5 | -72.9 | 179.5 | 134.5 | 0 | 0 | 109.7 | A221 H222 R224 I293 T305 Q306 | A221-E295 CarbonylContact C-O 3.56Å; A221-E295 VanDerWaalsContact CA-O 3.22Å; A221-E295 WeakPolarHBondContact CA-O 3.07Å; H222-E295 IonicContact CD2-OE2 2.87Å; H222-E295 VanDerWaalsContact CE1-CB 3.43Å; H222-E295 WeakPolarHBondContact CE1-CB 3.47Å; H222-E295 PolarHBondContact N-O 2.66Å; H222-E295 WeakPolarHBondContact NE2-CB 3.46Å; H222-E295 IonicContact NE2-OE2 3.99Å; H222-E295 PolarHBondContact NE2-OE2 3.15Å; H222-E295 PolarHBondContact O-N 2.8Å; R224-E295 IonicContact NH1-OE2 3.68Å; I293-E295 HydrophobicContact CG2-CG 3.97Å; E295-T305 WeakPolarHBondContact CA-O 3.27Å; E295-Q306 HydrophobicContact CG-CB 4.06Å; E295-Q306 HydrophobicContact CG-CG 3.69Å; E295-Q306 PolarHBondContact OE1-NE2 2.97Å |
| 296 | G | 94 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V219 T304 T305 | V219-G296 CarbonylContact O-C 3.54Å; G296-T304 CarbonylContact O-C 3.55Å; G296-T304 WeakPolarHBondContact O-CA 3.42Å; G296-T305 PolarHBondContact N-O 3.39Å; G296-T305 VanDerWaalsContact N-O 3.14Å; G296-T305 PolarHBondContact O-N 3.34Å |
| 297 | M | 92.6 | Very high | 93 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.8 | -178.7 | -70.2 | -174.5 | -71.1 | 0 | 0 | 112.2 | V219 E220 E299 M303 T304 | V219-M297 HydrophobicContact CB-CB 4.22Å; V219-M297 HydrophobicContact CG1-CE 4.16Å; V219-M297 PolarHBondContact N-O 3.46Å; V219-M297 PolarHBondContact O-N 3.4Å; E220-M297 HydrophobicContact CB-CE 3.91Å; E220-M297 HydrophobicContact CG-CE 3.78Å; E220-M297 WeakPolarHBondContact OE2-CE 3.35Å; M297-E299 PolarHBondContact O-N 2.8Å; M297-M303 WeakPolarHBondContact CA-O 3.28Å; M297-T304 HydrophobicContact CG-CG2 3.77Å |
| 298 | V | 91.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 38 Ų | 38 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.3 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | P182 R185 A300 T301 A302 M303 T305 | P182-V298 HydrophobicContact CB-CG2 3.69Å; P182-V298 HydrophobicContact CG-CG2 4.47Å; R185-V298 HydrophobicContact CB-CG2 4.2Å; R185-V298 HydrophobicContact CG-CG2 3.79Å; V298-A300 VanDerWaalsContact C-N 3.27Å; V298-A300 PolarHBondContact O-N 2.99Å; V298-A300 VanDerWaalsContact O-N 3.1Å; V298-T301 PolarHBondContact O-N 2.96Å; V298-T301 VanDerWaalsContact O-N 3.08Å; V298-A302 WeakPolarHBondContact O-CA 3.01Å; V298-A302 PolarHBondContact O-N 2.92Å; V298-M303 PolarHBondContact N-O 3.34Å; V298-T305 HydrophobicContact CG2-CG2 4Å |
| 299 | E | 88.5 | Confident | 93.3 | Very high | 104 Ų | 104 | 37.7 Ų | 37.7 | 49% | 0.486 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -43.6 | -176 | -176 | 178.2 | -164.9 | 0 | 0 | 114.5 | S216 H217 V219 M297 | S216-E299 WeakPolarHBondContact CA-OE2 3.2Å; S216-E299 WeakPolarHBondContact CB-OE2 3.46Å; H217-E299 IonicContact CD2-OE2 3.87Å; H217-E299 PolarHBondContact N-OE2 3.15Å; V219-E299 HydrophobicContact CG2-CB 4.36Å; M297-E299 PolarHBondContact O-N 2.8Å |
| 300 | A | 87.6 | Confident | 93.3 | Very high | 97 Ų | 97 | 37.2 Ų | 37.2 | 80% | 0.802 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -26.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V298 | V298-A300 VanDerWaalsContact C-N 3.27Å; V298-A300 PolarHBondContact O-N 2.99Å; V298-A300 VanDerWaalsContact O-N 3.1Å |
| 301 | T | 88.5 | Confident | 93.3 | Very high | 62 Ų | 62 | 37.1 Ų | 37.1 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -9.7 | -174 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | V298 M303 | V298-T301 PolarHBondContact O-N 2.96Å; V298-T301 VanDerWaalsContact O-N 3.08Å; T301-M303 PolarHBondContact O-N 3.25Å; T301-M303 PolarHBondContact OG1-N 3.49Å |
| 302 | A | 90.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 58% | 0.579 | 22% | 0.22 | S | C | * | . | trans | 50.6 | 19.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V298 | V298-A302 WeakPolarHBondContact O-CA 3.01Å; V298-A302 PolarHBondContact O-N 2.92Å | ||
| 303 | M | 90.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | trans | -86.2 | 136.3 | 177 | -66.5 | -176.9 | 72.7 | 0 | 0 | 109.6 | A180 P182 M297 V298 T301 | A180-M303 HydrophobicContact CB-SD 3.91Å; P182-M303 HydrophobicContact CG-CB 4.17Å; M297-M303 WeakPolarHBondContact CA-O 3.28Å; V298-M303 PolarHBondContact N-O 3.34Å; T301-M303 PolarHBondContact O-N 3.25Å; T301-M303 PolarHBondContact OG1-N 3.49Å | ||
| 304 | T | 91.7 | Very high | 93 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 69% | 0.693 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139.6 | 174.5 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | G296 M297 | G296-T304 CarbonylContact O-C 3.55Å; G296-T304 WeakPolarHBondContact O-CA 3.42Å; M297-T304 HydrophobicContact CG-CG2 3.77Å |
| 305 | T | 91.6 | Very high | 93 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.9 | 178.1 | -164.4 | 0 | 0 | 0 | 0 | 108.6 | R185 N186 L189 L218 E295 G296 V298 | R185-T305 HydrophobicContact CG-CG2 4.31Å; N186-T305 PolarHBondContact OD1-OG1 2.85Å; L189-T305 HydrophobicContact CD1-CG2 4.41Å; L218-T305 HydrophobicContact CD1-CG2 3.78Å; E295-T305 WeakPolarHBondContact CA-O 3.27Å; G296-T305 PolarHBondContact N-O 3.39Å; G296-T305 VanDerWaalsContact N-O 3.14Å; G296-T305 PolarHBondContact O-N 3.34Å; V298-T305 HydrophobicContact CG2-CG2 4Å |
| 306 | Q | 92.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.7 | 179.8 | -174.5 | -171.5 | 79.7 | 0 | 0 | 108.1 | N186 I293 L294 E295 R308 | N186-Q306 PolarHBondContact ND2-O 3.5Å; I293-Q306 HydrophobicContact CG2-CG 3.5Å; L294-Q306 WeakPolarHBondContact O-CA 3.28Å; E295-Q306 HydrophobicContact CG-CB 4.06Å; E295-Q306 HydrophobicContact CG-CG 3.69Å; E295-Q306 PolarHBondContact OE1-NE2 2.97Å; Q306-R308 HydrophobicContact CG-CG 4.22Å |
| 307 | C | 93.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141.3 | 171.7 | -162.6 | 0 | 0 | 0 | 0 | 109.2 | N186 L189 F191 I293 L294 | N186-C307 PolarHBondContact O-SG 3.2Å; L189-C307 HydrophobicContact CB-CB 4.14Å; L189-C307 HydrophobicContact CD1-CB 4.08Å; F191-C307 HydrophobicContact CE2-CB 4.09Å; I293-C307 WeakPolarHBondContact CA-O 3.31Å; L294-C307 PolarHBondContact N-O 3.17Å; L294-C307 PolarHBondContact O-N 3.39Å |
| 308 | R | 95.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 22% | 0.219 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.2 | -174.9 | -61.9 | 174.3 | -62.8 | -74.2 | -14.3 | 109.4 | V46 G50 V292 I293 Q306 | V46-R308 HydrophobicContact CG1-CB 4.32Å; G50-R308 WeakPolarHBondContact CA-O 3.36Å; G50-R308 PolarHBondContact N-O 2.88Å; G50-R308 PolarHBondContact O-NE 2.9Å; G50-R308 PolarHBondContact O-NH2 2.9Å; V292-R308 VanDerWaalsContact O-CA 3.29Å; V292-R308 WeakPolarHBondContact O-CA 3.5Å; I293-R308 HydrophobicContact CG1-CG 4.19Å; I293-R308 HydrophobicContact CG2-CG 4.18Å; Q306-R308 HydrophobicContact CG-CG 4.22Å |
| 309 | S | 96.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 177.7 | 165 | -158.6 | 0 | 0 | 0 | 0 | 108.9 | K48 V292 | K48-S309 PolarHBondContact O-OG 3.27Å; V292-S309 PolarHBondContact N-O 3.47Å; V292-S309 PolarHBondContact O-N 3Å |
| 310 | S | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.2 | 174.2 | 83.3 | 0 | 0 | 0 | 0 | 113.6 | R44 V46 K48 E289 I290 | R44-S310 WeakPolarHBondContact CD-OG 3.43Å; R44-S310 PolarHBondContact NH1-O 3.37Å; R44-S310 PolarHBondContact NH1-OG 3.03Å; V46-S310 WeakPolarHBondContact O-CB 3.37Å; V46-S310 PolarHBondContact O-OG 2.89Å; K48-S310 VanDerWaalsContact CD-O 3.27Å; K48-S310 WeakPolarHBondContact CD-O 3.43Å; K48-S310 WeakPolarHBondContact CE-O 3.49Å; K48-S310 PolarHBondContact NZ-O 3.45Å; E289-S310 WeakPolarHBondContact OE1-CB 3.4Å; E289-S310 PolarHBondContact OE1-OG 3.33Å; I290-S310 CarbonylContact O-C 3.51Å; I290-S310 WeakPolarHBondContact O-CA 3.36Å; I290-S310 WeakPolarHBondContact O-CB 3.29Å |
| 311 | Y | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.7 | 176.1 | -57 | -77.3 | 0 | 0 | 0 | 109.2 | S192 H193 N194 A195 W208 I290 V292 E315 | S192-Y311 WeakPolarHBondContact O-CE1 3.29Å; S192-Y311 PolarHBondContact O-OH 3.35Å; S192-Y311 PolarHBondContact OG-OH 2.74Å; H193-Y311 WeakPolarHBondContact O-CE1 3.37Å; N194-Y311 VanDerWaalsContact C-CE1 3.47Å; A195-Y311 HydrophobicContact CB-CD1 3.97Å; A195-Y311 HydrophobicContact CB-CD2 4.11Å; A195-Y311 HydrophobicContact CB-CE1 4.29Å; A195-Y311 HydrophobicContact CB-CE2 4.38Å; A195-Y311 HydrophobicContact CB-CG 3.9Å; W208-Y311 HydrophobicContact CB-CE2 3.83Å; W208-Y311 HydrophobicContact CG-CE2 4.08Å; I290-Y311 PolarHBondContact N-O 2.85Å; I290-Y311 PolarHBondContact O-N 3.47Å; V292-Y311 HydrophobicContact CB-CE2 4.45Å; V292-Y311 HydrophobicContact CG1-CD2 4.08Å; V292-Y311 HydrophobicContact CG1-CE2 3.86Å; V292-Y311 HydrophobicContact CG2-CD2 4.37Å; V292-Y311 HydrophobicContact CG2-CE2 3.7Å; Y311-E315 WeakPolarHBondContact CA-OE2 3.35Å |
| 312 | L | 95.6 | Very high | 95 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 158.5 | 166 | -60 | 175.5 | 0 | 0 | 0 | 109.5 | R44 E289 S314 E315 | R44-L312 HydrophobicContact CB-CD2 4.35Å; R44-L312 HydrophobicContact CG-CD2 4.24Å; E289-L312 HydrophobicContact CB-CD2 4.06Å; E289-L312 HydrophobicContact CG-CD2 4.13Å; L312-S314 PolarHBondContact O-N 2.87Å; L312-S314 VanDerWaalsContact O-N 3.15Å; L312-E315 HydrophobicContact CB-CG 4.2Å; L312-E315 PolarHBondContact N-OE2 3.32Å; L312-E315 WeakPolarHBondContact O-CA 3.36Å; L312-E315 WeakPolarHBondContact O-CB 3.46Å; L312-E315 PolarHBondContact O-N 3.38Å |
| 313 | A | 94.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -50.7 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L283 S286 F288 E315 I316 | L283-A313 HydrophobicContact CD1-CB 4.26Å; S286-A313 VanDerWaalsContact O-CB 3.3Å; S286-A313 WeakPolarHBondContact O-CB 3.3Å; F288-A313 HydrophobicContact CD1-CB 4.21Å; F288-A313 HydrophobicContact CE1-CB 3.89Å; F288-A313 HydrophobicContact CE2-CB 4.28Å; F288-A313 HydrophobicContact CZ-CB 3.94Å; F288-A313 PolarHBondContact O-N 3.24Å; A313-E315 PolarHBondContact O-N 2.93Å; A313-I316 PolarHBondContact O-N 3.21Å |
| 314 | S | 93.8 | Very high | 95.5 | Very high | 94 Ų | 94 | 36.7 Ų | 36.7 | 66% | 0.657 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -68.9 | -13.3 | 176.7 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | L312 | L312-S314 PolarHBondContact O-N 2.87Å; L312-S314 VanDerWaalsContact O-N 3.15Å |
| 315 | E | 96.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 31.4 Ų | 31.4 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -98 | -0.8 | 178.2 | -59.5 | 178.8 | 139.7 | 0 | 0 | 112.5 | R44 K48 N194 A195 Y311 L312 A313 | R44-E315 IonicContact CZ-OE1 2.6Å; R44-E315 IonicContact CZ-OE2 2.93Å; R44-E315 IonicContact NH1-OE2 3.31Å; R44-E315 PolarHBondContact NH1-OE2 2.91Å; R44-E315 IonicContact NH2-OE1 3.46Å; R44-E315 PolarHBondContact NH2-OE1 2.86Å; R44-E315 IonicContact NH2-OE2 3.57Å; R44-E315 PolarHBondContact NH2-OE2 3.34Å; K48-E315 WeakPolarHBondContact CE-OE1 3.37Å; K48-E315 WeakPolarHBondContact CE-OE2 3.46Å; K48-E315 VanDerWaalsContact NZ-CD 3.29Å; K48-E315 IonicContact NZ-OE1 3.89Å; K48-E315 IonicContact NZ-OE2 2.95Å; K48-E315 PolarHBondContact NZ-OE2 3.03Å; N194-E315 WeakPolarHBondContact CA-O 3.41Å; N194-E315 VanDerWaalsContact CB-O 3.31Å; N194-E315 WeakPolarHBondContact CB-O 3.44Å; N194-E315 PolarHBondContact ND2-O 3Å; A195-E315 PolarHBondContact N-O 2.72Å; Y311-E315 WeakPolarHBondContact CA-OE2 3.35Å; L312-E315 HydrophobicContact CB-CG 4.2Å; L312-E315 PolarHBondContact N-OE2 3.32Å; L312-E315 WeakPolarHBondContact O-CA 3.36Å; L312-E315 WeakPolarHBondContact O-CB 3.46Å; L312-E315 PolarHBondContact O-N 3.38Å; A313-E315 PolarHBondContact O-N 2.93Å |
| 316 | I | 97 | Very high | 95.9 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.4 | 177 | -55.7 | 175.4 | 0 | 0 | 0 | 108.4 | A195 V197 L206 L283 F288 I290 A313 | A195-I316 HydrophobicContact CB-CG1 4.27Å; A195-I316 CarbonylContact O-C 3.55Å; A195-I316 WeakPolarHBondContact O-CA 3.45Å; V197-I316 HydrophobicContact CG2-CG2 3.73Å; L206-I316 HydrophobicContact CD1-CG2 3.96Å; L283-I316 HydrophobicContact CD1-CB 4.34Å; L283-I316 HydrophobicContact CD1-CD1 4.19Å; L283-I316 HydrophobicContact CD2-CB 4.07Å; L283-I316 HydrophobicContact CD2-CG2 3.86Å; F288-I316 HydrophobicContact CE2-CD1 3.73Å; F288-I316 HydrophobicContact CZ-CD1 4.06Å; I290-I316 HydrophobicContact CD1-CD1 3.6Å; I290-I316 HydrophobicContact CG1-CD1 4.34Å; A313-I316 PolarHBondContact O-N 3.21Å |
| 317 | L | 97.1 | Very high | 96 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 109.4 | -176.8 | -57.5 | 177.1 | 0 | 0 | 0 | 110.4 | N194 A195 T196 V197 H320 | N194-L317 HydrophobicContact CB-CD1 3.81Å; N194-L317 HydrophobicContact CB-CG 4.02Å; A195-L317 PolarHBondContact O-N 3Å; T196-L317 CarbonylContact C-O 3.5Å; T196-L317 VanDerWaalsContact CA-O 3.3Å; T196-L317 WeakPolarHBondContact CA-O 3.03Å; T196-L317 HydrophobicContact CG2-CB 4.43Å; V197-L317 PolarHBondContact N-O 3.47Å; L317-H320 HydrophobicContact CB-CB 3.86Å |
| 318 | W | 97 | Very high | 96.1 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 8% | 0.076 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132 | 176.5 | -166.1 | -72.4 | 0 | 0 | 0 | 111.8 | V197 L204 M278 K280 L283 H320 P350 C352 | V197-W318 HydrophobicContact CB-CD2 4.25Å; V197-W318 HydrophobicContact CB-CE3 4.06Å; V197-W318 HydrophobicContact CG1-CD2 4.07Å; V197-W318 HydrophobicContact CG1-CE3 3.9Å; V197-W318 HydrophobicContact CG1-CH2 4.18Å; V197-W318 HydrophobicContact CG1-CZ2 4.32Å; V197-W318 HydrophobicContact CG1-CZ3 3.97Å; V197-W318 HydrophobicContact CG2-CE3 4.37Å; L204-W318 HydrophobicContact CD1-CZ2 4.39Å; L204-W318 HydrophobicContact CD2-CH2 3.77Å; L204-W318 HydrophobicContact CD2-CZ2 3.9Å; M278-W318 WeakPolarHBondContact O-CH2 3.1Å; K280-W318 HydrophobicContact CB-CB 4.42Å; K280-W318 HydrophobicContact CB-CD2 3.75Å; K280-W318 HydrophobicContact CB-CE3 4.22Å; K280-W318 HydrophobicContact CB-CG 3.82Å; K280-W318 HydrophobicContact CD-CB 4.11Å; K280-W318 HydrophobicContact CD-CG 4.02Å; K280-W318 HydrophobicContact CG-CB 3.87Å; K280-W318 HydrophobicContact CG-CD2 4.2Å; K280-W318 HydrophobicContact CG-CG 3.77Å; L283-W318 HydrophobicContact CD2-CB 4.46Å; L283-W318 HydrophobicContact CD2-CE3 3.84Å; W318-H320 PolarHBondContact O-CD2 3.48Å; W318-P350 PolarHBondContact NE1-O 3.09Å; W318-C352 WeakPolarHBondContact CZ2-O 3.4Å |
| 319 | G | 96 | Very high | 96 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 24.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V197 V346 | V197-G319 WeakPolarHBondContact O-CA 3.46Å; V197-G319 PolarHBondContact O-N 3.37Å; G319-V346 PolarHBondContact O-N 3.26Å |
| 320 | H | 97.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 153.6 | 175.7 | -77.5 | -119.2 | 0 | 0 | 0 | 111.4 | T196 A198 L317 W318 T343 Y344 E345 | T196-H320 WeakPolarHBondContact CB-O 3.44Å; T196-H320 HydrophobicContact CG2-CB 3.82Å; A198-H320 VanDerWaalsContact CB-O 3.31Å; A198-H320 WeakPolarHBondContact CB-O 2.98Å; L317-H320 HydrophobicContact CB-CB 3.86Å; W318-H320 PolarHBondContact O-CD2 3.48Å; H320-T343 PolarHBondContact ND1-OG1 2.91Å; H320-T343 VanDerWaalsContact ND1-OG1 3.17Å; H320-Y344 CarbonylContact C-O 3.59Å; H320-Y344 VanDerWaalsContact CA-O 3.3Å; H320-Y344 WeakPolarHBondContact CA-O 3.22Å; H320-E345 WeakPolarHBondContact CE1-CG 3.28Å; H320-E345 IonicContact CE1-OE1 3.96Å; H320-E345 WeakPolarHBondContact NE2-CG 3.46Å; H320-E345 IonicContact NE2-OE1 3.95Å |
| 321 | R | 96.9 | Very high | 95.5 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 152.8 | 168.8 | -74.5 | 174.9 | 69.9 | -176.3 | -1.5 | 110.2 | A198 T343 Y344 V346 | A198-R321 HydrophobicContact CB-CG 3.85Å; R321-T343 CarbonylContact O-C 3.5Å; R321-T343 WeakPolarHBondContact O-CA 3.48Å; R321-T343 WeakPolarHBondContact O-CB 3.45Å; R321-Y344 HydrophobicContact CB-CD1 4.46Å; R321-Y344 HydrophobicContact CB-CE1 3.82Å; R321-Y344 HydrophobicContact CB-CE2 3.96Å; R321-Y344 PolarHBondContact N-O 3.28Å; R321-Y344 PolarHBondContact NE-OH 3Å; R321-Y344 WeakPolarHBondContact O-CD1 3.32Å; R321-Y344 PolarHBondContact O-N 3.47Å; R321-V346 HydrophobicContact CB-CG2 4.09Å; R321-V346 HydrophobicContact CG-CG2 3.77Å |
| 322 | F | 97.7 | Very high | 95.3 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 141.9 | 175.6 | -71 | -71.8 | 0 | 0 | 0 | 112.1 | S192 N194 T196 M207 R209 T264 T343 Y344 | S192-F322 WeakPolarHBondContact OG-CZ 3.49Å; N194-F322 WeakPolarHBondContact O-CZ 3.32Å; T196-F322 HydrophobicContact CG2-CE1 4.36Å; T196-F322 HydrophobicContact CG2-CE2 4.05Å; T196-F322 HydrophobicContact CG2-CZ 3.96Å; T196-F322 WeakPolarHBondContact OG1-CE2 3.46Å; M207-F322 HydrophobicContact CB-CE2 4.35Å; R209-F322 HydrophobicContact CB-CE1 4.43Å; R209-F322 HydrophobicContact CB-CZ 4.38Å; T264-F322 HydrophobicContact CG2-CD2 4.03Å; T264-F322 HydrophobicContact CG2-CE2 4.35Å; F322-T343 HydrophobicContact CD1-CG2 3.7Å; F322-T343 HydrophobicContact CE1-CG2 3.8Å; F322-T343 HydrophobicContact CG-CG2 4.45Å; F322-Y344 WeakPolarHBondContact O-CE1 3.3Å |
| 323 | D | 96.7 | Very high | 95.3 | Very high | 36 Ų | 36 | 71.3 Ų | 71.3 | 19% | 0.193 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 140 | 170.1 | -85.3 | -7.3 | 0 | 0 | 0 | 110.8 | R209 V325 R339 K342 Y344 | R209-D323 PolarHBondContact NH1-O 3.48Å; R209-D323 PolarHBondContact NH2-O 3.48Å; D323-V325 PolarHBondContact O-N 2.81Å; D323-R339 HydrophobicContact CB-CB 4.1Å; D323-K342 HydrophobicContact CB-CB 4.27Å; D323-K342 PolarHBondContact N-O 3.43Å; D323-K342 VanDerWaalsContact OD2-CB 3.3Å; D323-K342 WeakPolarHBondContact OD2-CB 3.18Å; D323-Y344 VanDerWaalsContact OD1-CD1 3.29Å; D323-Y344 WeakPolarHBondContact OD1-CD1 3.18Å |
| 324 | P | 95.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 76.9 Ų | 76.9 | 51% | 0.506 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 132.6 | 166 | -21.4 | 32.9 | 0 | 0 | 0 | 110.4 | F327 | P324-F327 VanDerWaalsContact O-CZ 3.29Å; P324-F327 WeakPolarHBondContact O-CZ 3.41Å |
| 325 | V | 95.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | trans | -113.4 | -19.7 | 178.4 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | P262 D323 F327 V335 D336 R339 | P262-V325 HydrophobicContact CB-CG2 3.89Å; P262-V325 HydrophobicContact CG-CG2 3.9Å; D323-V325 PolarHBondContact O-N 2.81Å; V325-F327 WeakPolarHBondContact O-CD2 3.43Å; V325-F327 WeakPolarHBondContact O-CE2 3.27Å; V325-V335 HydrophobicContact CB-CG1 4.3Å; V325-V335 HydrophobicContact CG2-CG1 4.14Å; V325-V335 CarbonylContact O-C 3.56Å; V325-V335 VanDerWaalsContact O-CA 3.29Å; V325-V335 WeakPolarHBondContact O-CA 3.34Å; V325-D336 PolarHBondContact O-N 3.45Å; V325-R339 HydrophobicContact CG1-CB 4.1Å | ||
| 326 | L | 95.2 | Very high | 95.2 | Very high | 77 Ų | 77 | 75.1 Ų | 75.1 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.6 | -178.2 | -173.5 | 70.4 | 0 | 0 | 0 | 108.5 | Y333 V335 | L326-Y333 HydrophobicContact CD1-CD1 4.48Å; L326-Y333 HydrophobicContact CD1-CG 4.42Å; L326-Y333 HydrophobicContact CG-CD1 4.39Å; L326-V335 HydrophobicContact CD1-CG2 3.66Å |
| 327 | F | 94.6 | Very high | 95.1 | Very high | 81 Ų | 81 | 78.1 Ų | 78.1 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.2 | 177.6 | -55.4 | -77.6 | 0 | 0 | 0 | 109.3 | P324 V325 Y333 K334 D336 | P324-F327 VanDerWaalsContact O-CZ 3.29Å; P324-F327 WeakPolarHBondContact O-CZ 3.41Å; V325-F327 WeakPolarHBondContact O-CD2 3.43Å; V325-F327 WeakPolarHBondContact O-CE2 3.27Å; F327-Y333 WeakPolarHBondContact O-CA 3.47Å; F327-K334 PolarHBondContact N-O 3.02Å; F327-K334 PolarHBondContact O-N 2.93Å; F327-D336 HydrophobicContact CD2-CB 4.48Å; F327-D336 HydrophobicContact CE2-CB 4.02Å |
| 328 | E | 94.9 | Very high | 95 | Very high | 152 Ų | 152 | 79.6 Ų | 79.6 | 71% | 0.71 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.7 | 174.3 | -172.7 | 174 | -169.7 | 0 | 0 | 109.8 | Y333 | E328-Y333 HydrophobicContact CB-CD1 4.08Å; E328-Y333 HydrophobicContact CB-CE1 3.9Å; E328-Y333 HydrophobicContact CG-CD1 4.3Å; E328-Y333 HydrophobicContact CG-CE1 3.86Å |
| 329 | E | 92.5 | Very high | 94.9 | Very high | 85 Ų | 85 | 83.5 Ų | 83.5 | 40% | 0.397 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 156.5 | 169 | -160.5 | 162.5 | -171.8 | 0 | 0 | 107.5 | S331 Y332 | E329-S331 PolarHBondContact O-N 2.85Å; E329-Y332 CarbonylContact C-O 3.51Å; E329-Y332 WeakPolarHBondContact CA-O 3.22Å; E329-Y332 HydrophobicContact CB-CD2 4.46Å; E329-Y332 HydrophobicContact CB-CE2 4.14Å; E329-Y332 WeakPolarHBondContact CB-O 3.27Å; E329-Y332 PolarHBondContact N-O 2.89Å; E329-Y332 PolarHBondContact O-N 3.37Å; E329-Y332 VanDerWaalsContact OE2-CE2 3.28Å; E329-Y332 WeakPolarHBondContact OE2-CE2 3.16Å; E329-Y332 PolarHBondContact OE2-OH 3.28Å |
| 330 | K | 91.5 | Very high | 94.9 | Very high | 221 Ų | 221 | 83.1 Ų | 83.1 | 96% | 0.961 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.1 | -30.3 | -163.3 | -65.1 | -179.5 | 180 | 178.1 | 0 | 117.4 | ||
| 331 | S | 93 | Very high | 94.9 | Very high | 110 Ų | 110 | 85 Ų | 85 | 77% | 0.769 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.5 | 0.2 | -179.5 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | E329 | E329-S331 PolarHBondContact O-N 2.85Š|
| 332 | Y | 92.3 | Very high | 94.9 | Very high | 119 Ų | 119 | 85.2 Ų | 85.2 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 161.9 | -177.1 | 65 | -95.2 | 0 | 0 | 0 | 111.6 | E329 K334 | E329-Y332 CarbonylContact C-O 3.51Å; E329-Y332 WeakPolarHBondContact CA-O 3.22Å; E329-Y332 HydrophobicContact CB-CD2 4.46Å; E329-Y332 HydrophobicContact CB-CE2 4.14Å; E329-Y332 WeakPolarHBondContact CB-O 3.27Å; E329-Y332 PolarHBondContact N-O 2.89Å; E329-Y332 PolarHBondContact O-N 3.37Å; E329-Y332 VanDerWaalsContact OE2-CE2 3.28Å; E329-Y332 WeakPolarHBondContact OE2-CE2 3.16Å; E329-Y332 PolarHBondContact OE2-OH 3.28Å; Y332-K334 HydrophobicContact CE2-CB 4.33Å |
| 333 | Y | 94.4 | Very high | 94.9 | Very high | 155 Ų | 155 | 86.2 Ų | 86.2 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 138.7 | 174.7 | -62.2 | -83.1 | 0 | 0 | 0 | 111.7 | L326 F327 E328 | L326-Y333 HydrophobicContact CD1-CD1 4.48Å; L326-Y333 HydrophobicContact CD1-CG 4.42Å; L326-Y333 HydrophobicContact CG-CD1 4.39Å; F327-Y333 WeakPolarHBondContact O-CA 3.47Å; E328-Y333 HydrophobicContact CB-CD1 4.08Å; E328-Y333 HydrophobicContact CB-CE1 3.9Å; E328-Y333 HydrophobicContact CG-CD1 4.3Å; E328-Y333 HydrophobicContact CG-CE1 3.86Å |
| 334 | K | 93.6 | Very high | 94.9 | Very high | 122 Ų | 122 | 88.5 Ų | 88.5 | 53% | 0.53 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.2 | 177.4 | -168.4 | 174.3 | -178 | 176.2 | 0 | 110.3 | F327 Y332 | F327-K334 PolarHBondContact N-O 3.02Å; F327-K334 PolarHBondContact O-N 2.93Å; Y332-K334 HydrophobicContact CE2-CB 4.33Å |
| 335 | V | 95 | Very high | 94.9 | Very high | 46 Ų | 46 | 91.7 Ų | 91.7 | 28% | 0.279 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.5 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | P262 V325 L326 Y337 | P262-V335 HydrophobicContact CG-CG1 3.9Å; V325-V335 HydrophobicContact CB-CG1 4.3Å; V325-V335 HydrophobicContact CG2-CG1 4.14Å; V325-V335 CarbonylContact O-C 3.56Å; V325-V335 VanDerWaalsContact O-CA 3.29Å; V325-V335 WeakPolarHBondContact O-CA 3.34Å; L326-V335 HydrophobicContact CD1-CG2 3.66Å; V335-Y337 HydrophobicContact CB-CE2 4.37Å; V335-Y337 HydrophobicContact CG1-CD2 3.91Å; V335-Y337 HydrophobicContact CG1-CE2 3.72Å |
| 336 | D | 95.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 92.7 Ų | 92.7 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | trans | -94.4 | 96 | 174.4 | -176.3 | 3.2 | 0 | 0 | 0 | 111 | V325 F327 S338 R339 | V325-D336 PolarHBondContact O-N 3.45Å; F327-D336 HydrophobicContact CD2-CB 4.48Å; F327-D336 HydrophobicContact CE2-CB 4.02Å; D336-S338 PolarHBondContact O-N 3.14Å; D336-S338 VanDerWaalsContact OD1-CB 3.23Å; D336-S338 WeakPolarHBondContact OD1-CB 3.37Å; D336-S338 PolarHBondContact OD1-N 3.05Å; D336-S338 PolarHBondContact OD1-OG 3.5Å; D336-S338 PolarHBondContact OD2-OG 3.22Å; D336-R339 PolarHBondContact O-N 2.93Å; D336-R339 IonicContact OD2-NE 3.17Å; D336-R339 PolarHBondContact OD2-NE 3.15Å; D336-R339 VanDerWaalsContact OD2-NE 3.17Å | ||
| 337 | Y | 94 | Very high | 94.7 | Very high | 74 Ų | 74 | 95 Ų | 95 | 29% | 0.29 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -68.2 | -13.8 | 178 | -85.9 | -82.3 | 0 | 0 | 0 | 113.9 | V190 N212 L213 P262 V335 R339 F340 | V190-Y337 HydrophobicContact CG2-CE1 4.47Å; N212-Y337 PolarHBondContact O-OH 3.12Å; L213-Y337 HydrophobicContact CD2-CD1 3.79Å; L213-Y337 HydrophobicContact CD2-CE1 3.63Å; L213-Y337 HydrophobicContact CD2-CE2 4.45Å; L213-Y337 HydrophobicContact CD2-CG 4.29Å; P262-Y337 HydrophobicContact CG-CE1 3.78Å; V335-Y337 HydrophobicContact CB-CE2 4.37Å; V335-Y337 HydrophobicContact CG1-CD2 3.91Å; V335-Y337 HydrophobicContact CG1-CE2 3.72Å; Y337-R339 PolarHBondContact O-N 3.48Å; Y337-F340 HydrophobicContact CD1-CB 4.04Å; Y337-F340 AromaticContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CG 4.08Å; Y337-F340 AromaticContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CE2 4.18Å; Y337-F340 HydrophobicContact CE1-CG 4.45Å; Y337-F340 WeakPolarHBondContact O-CB 3.39Å; Y337-F340 PolarHBondContact O-N 3.2Å; Y337-F340 VanDerWaalsContact O-N 3.09Å |
| 338 | S | 94.9 | Very high | 94.6 | Very high | 77 Ų | 77 | 96.1 Ų | 96.1 | 54% | 0.538 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -66.1 | -22.3 | 175.3 | 76.6 | 0 | 0 | 0 | 0 | 112.7 | D336 | D336-S338 PolarHBondContact O-N 3.14Å; D336-S338 VanDerWaalsContact OD1-CB 3.23Å; D336-S338 WeakPolarHBondContact OD1-CB 3.37Å; D336-S338 PolarHBondContact OD1-N 3.05Å; D336-S338 PolarHBondContact OD1-OG 3.5Å; D336-S338 PolarHBondContact OD2-OG 3.22Å |
| 339 | R | 94.9 | Very high | 94.5 | Very high | 102 Ų | 102 | 89.3 Ų | 89.3 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -97.5 | 1.1 | 176 | -55 | -178.1 | -166.2 | -153.1 | -2.5 | 113 | D323 V325 D336 Y337 H341 K342 | D323-R339 HydrophobicContact CB-CB 4.1Å; V325-R339 HydrophobicContact CG1-CB 4.1Å; D336-R339 PolarHBondContact O-N 2.93Å; D336-R339 IonicContact OD2-NE 3.17Å; D336-R339 PolarHBondContact OD2-NE 3.15Å; D336-R339 VanDerWaalsContact OD2-NE 3.17Å; Y337-R339 PolarHBondContact O-N 3.48Å; R339-H341 VanDerWaalsContact C-N 3.3Å; R339-H341 PolarHBondContact O-N 3.18Å; R339-K342 HydrophobicContact CG-CD 4.44Å; R339-K342 PolarHBondContact O-N 3.2Å; R339-K342 VanDerWaalsContact O-N 3.08Å |
| 340 | F | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 87.1 Ų | 87.1 | 0% | 0.004 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -43.4 | -173.2 | 179 | -89.4 | 0 | 0 | 0 | 112.8 | V190 R209 P262 Y337 | V190-F340 HydrophobicContact CB-CE1 4.47Å; V190-F340 HydrophobicContact CG2-CE1 4.04Å; V190-F340 HydrophobicContact CG2-CE2 4.21Å; V190-F340 HydrophobicContact CG2-CZ 3.8Å; R209-F340 HydrophobicContact CB-CE2 4.38Å; R209-F340 HydrophobicContact CB-CZ 4.09Å; R209-F340 HydrophobicContact CG-CE2 3.96Å; R209-F340 HydrophobicContact CG-CZ 4.18Å; R209-F340 PolarHBondContact NH1-O 3.31Å; P262-F340 HydrophobicContact CB-CD2 3.85Å; P262-F340 HydrophobicContact CB-CE2 3.71Å; P262-F340 HydrophobicContact CG-CD2 3.76Å; P262-F340 HydrophobicContact CG-CE2 3.91Å; Y337-F340 HydrophobicContact CD1-CB 4.04Å; Y337-F340 AromaticContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CG 4.08Å; Y337-F340 AromaticContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CE2 4.18Å; Y337-F340 HydrophobicContact CE1-CG 4.45Å; Y337-F340 WeakPolarHBondContact O-CB 3.39Å; Y337-F340 PolarHBondContact O-N 3.2Å; Y337-F340 VanDerWaalsContact O-N 3.09Å |
| 341 | H | 97 | Very high | 94.6 | Very high | 70 Ų | 70 | 81.8 Ų | 81.8 | 32% | 0.324 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.1 | 179.7 | -53.3 | -80.4 | 0 | 0 | 0 | 113.6 | F191 H193 R339 | F191-H341 PolarHBondContact O-CE1 2.98Å; H193-H341 AromaticContact CD2-CD2 3.9Å; H193-H341 AromaticContact CD2-CE1 3.64Å; H193-H341 AromaticContact CD2-CG 3.37Å; H193-H341 AromaticContact CD2-ND1 3.19Å; H193-H341 PolarHBondContact CD2-ND1 3.37Å; H193-H341 AromaticContact CG-ND1 3.63Å; H193-H341 PolarHBondContact N-ND1 2.9Å; H193-H341 AromaticContact NE2-CE1 3.63Å; H193-H341 AromaticContact NE2-CG 3.95Å; H193-H341 AromaticContact NE2-ND1 3.69Å; H193-H341 AromaticContact NE2-NE2 3.87Å; R339-H341 VanDerWaalsContact C-N 3.3Å; R339-H341 PolarHBondContact O-N 3.18Å |
| 342 | K | 97 | Very high | 94.5 | Very high | 113 Ų | 113 | 77.8 Ų | 77.8 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | trans | -75.7 | 140 | -174.7 | -67.6 | -171.9 | -177.1 | -179.7 | 0 | 110.9 | D323 R339 | D323-K342 HydrophobicContact CB-CB 4.27Å; D323-K342 PolarHBondContact N-O 3.43Å; D323-K342 VanDerWaalsContact OD2-CB 3.3Å; D323-K342 WeakPolarHBondContact OD2-CB 3.18Å; R339-K342 HydrophobicContact CG-CD 4.44Å; R339-K342 PolarHBondContact O-N 3.2Å; R339-K342 VanDerWaalsContact O-N 3.08Å | ||
| 343 | T | 97.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 72.3 Ų | 72.3 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.4 | 176.1 | 64.2 | 0 | 0 | 0 | 0 | 109.7 | T196 H320 R321 F322 | T196-T343 HydrophobicContact CG2-CG2 3.71Å; H320-T343 PolarHBondContact ND1-OG1 2.91Å; H320-T343 VanDerWaalsContact ND1-OG1 3.17Å; R321-T343 CarbonylContact O-C 3.5Å; R321-T343 WeakPolarHBondContact O-CA 3.48Å; R321-T343 WeakPolarHBondContact O-CB 3.45Å; F322-T343 HydrophobicContact CD1-CG2 3.7Å; F322-T343 HydrophobicContact CE1-CG2 3.8Å; F322-T343 HydrophobicContact CG-CG2 4.45Å |
| 344 | Y | 96.8 | Very high | 94.5 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149 | 173.3 | 63.2 | -87.5 | 0 | 0 | 0 | 110.2 | H320 R321 F322 D323 V346 | H320-Y344 CarbonylContact C-O 3.59Å; H320-Y344 VanDerWaalsContact CA-O 3.3Å; H320-Y344 WeakPolarHBondContact CA-O 3.22Å; R321-Y344 HydrophobicContact CB-CD1 4.46Å; R321-Y344 HydrophobicContact CB-CE1 3.82Å; R321-Y344 HydrophobicContact CB-CE2 3.96Å; R321-Y344 PolarHBondContact N-O 3.28Å; R321-Y344 PolarHBondContact NE-OH 3Å; R321-Y344 WeakPolarHBondContact O-CD1 3.32Å; R321-Y344 PolarHBondContact O-N 3.47Å; F322-Y344 WeakPolarHBondContact O-CE1 3.3Å; D323-Y344 VanDerWaalsContact OD1-CD1 3.29Å; D323-Y344 WeakPolarHBondContact OD1-CD1 3.18Å; Y344-V346 HydrophobicContact CD2-CG2 3.96Å; Y344-V346 HydrophobicContact CE2-CG2 3.67Å |
| 345 | E | 96.4 | Very high | 94.4 | Very high | 145 Ų | 145 | 64.5 Ų | 64.5 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 142.8 | 178.5 | -73.3 | 178.3 | -160.2 | 0 | 0 | 111.5 | H320 | H320-E345 WeakPolarHBondContact CE1-CG 3.28Å; H320-E345 IonicContact CE1-OE1 3.96Å; H320-E345 WeakPolarHBondContact NE2-CG 3.46Å; H320-E345 IonicContact NE2-OE1 3.95Å |
| 346 | V | 95.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | trans | -125.6 | 89.5 | 178.8 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | G319 R321 Y344 S348 T349 | G319-V346 PolarHBondContact O-N 3.26Å; R321-V346 HydrophobicContact CB-CG2 4.09Å; R321-V346 HydrophobicContact CG-CG2 3.77Å; Y344-V346 HydrophobicContact CD2-CG2 3.96Å; Y344-V346 HydrophobicContact CE2-CG2 3.67Å; V346-S348 VanDerWaalsContact CG1-OG 3.31Å; V346-S348 WeakPolarHBondContact CG1-OG 3.06Å; V346-S348 PolarHBondContact O-N 3.42Å; V346-S348 VanDerWaalsContact O-N 3.08Å; V346-T349 WeakPolarHBondContact O-CB 3.49Å; V346-T349 PolarHBondContact O-N 3.28Å; V346-T349 PolarHBondContact O-OG1 2.81Å | ||
| 347 | P | 91.8 | Very high | 94 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.6 | -175.5 | -25.4 | 34.9 | 0 | 0 | 0 | 114.1 | T349 | P347-T349 PolarHBondContact O-N 3.31Š|
| 348 | S | 92.3 | Very high | 93.8 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -3.9 | 177.6 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | V346 P350 | V346-S348 VanDerWaalsContact CG1-OG 3.31Å; V346-S348 WeakPolarHBondContact CG1-OG 3.06Å; V346-S348 PolarHBondContact O-N 3.42Å; V346-S348 VanDerWaalsContact O-N 3.08Å; S348-P350 WeakPolarHBondContact O-CD 3.29Å |
| 349 | T | 93.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -73.1 | 124.6 | -179.9 | -51.6 | 0 | 0 | 0 | 0 | 110 | M199 L204 V346 P347 | M199-T349 HydrophobicContact CG-CG2 4.43Å; L204-T349 HydrophobicContact CD1-CG2 4.37Å; V346-T349 WeakPolarHBondContact O-CB 3.49Å; V346-T349 PolarHBondContact O-N 3.28Å; V346-T349 PolarHBondContact O-OG1 2.81Å; P347-T349 PolarHBondContact O-N 3.31Å |
| 350 | P | 92.9 | Very high | 93 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | trans | -57.5 | 142.7 | 175 | -25.8 | 37.5 | 0 | 0 | 0 | 111.7 | M199 W318 S348 L357 | M199-P350 VanDerWaalsContact CG-CD 3.49Å; M199-P350 HydrophobicContact CG-CG 4.31Å; M199-P350 HydrophobicContact SD-CG 4.33Å; W318-P350 PolarHBondContact NE1-O 3.09Å; S348-P350 WeakPolarHBondContact O-CD 3.29Å; P350-L357 HydrophobicContact CB-CD1 3.79Å; P350-L357 HydrophobicContact CG-CD1 3.56Å | ||
| 351 | L | 92.4 | Very high | 92.3 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 57% | 0.571 | 37% | 0.367 | S | S | * | . | trans | -93.9 | -10.7 | -179.8 | -53.2 | 179.5 | 0 | 0 | 0 | 113 | K280 | K280-L351 HydrophobicContact CB-CB 4.49Å; K280-L351 HydrophobicContact CD-CD2 3.7Å; K280-L351 PolarHBondContact N-O 2.85Å; K280-L351 VanDerWaalsContact N-O 3.16Å | ||
| 352 | C | 92.1 | Very high | 91.5 | Very high | 26 Ų | 26 | 76.3 Ų | 76.3 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -81.3 | 170 | 178.6 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | W318 D356 | W318-C352 WeakPolarHBondContact CZ2-O 3.4Å; C352-D356 HydrophobicContact CB-CB 3.79Å; C352-D356 WeakPolarHBondContact CB-OD2 3.33Å |
| 353 | S | 93.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | trans | -68 | 166.1 | 177.4 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | D277 M278 R355 D356 L357 | D277-S353 VanDerWaalsContact C-CB 3.48Å; M278-S353 WeakPolarHBondContact O-CA 3.45Å; S353-R355 VanDerWaalsContact C-N 3.25Å; S353-R355 PolarHBondContact O-N 2.97Å; S353-D356 PolarHBondContact N-OD2 3.47Å; S353-D356 PolarHBondContact O-N 3.26Å; S353-D356 PolarHBondContact OG-N 3.39Å; S353-D356 PolarHBondContact OG-OD1 2.95Å; S353-D356 PolarHBondContact OG-OD2 3.45Å; S353-D356 VanDerWaalsContact OG-OD2 3.13Å; S353-L357 WeakPolarHBondContact O-CB 3.44Å; S353-L357 PolarHBondContact O-N 2.85Å; S353-L357 VanDerWaalsContact O-N 3.17Å | ||
| 354 | A | 92.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 7% | 0.066 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L204 I269 Y276 L357 A358 | L204-A354 HydrophobicContact CD2-CB 4.22Å; I269-A354 HydrophobicContact CB-CB 4.19Å; I269-A354 HydrophobicContact CG2-CB 3.58Å; Y276-A354 HydrophobicContact CD2-CB 3.8Å; Y276-A354 HydrophobicContact CE2-CB 4.11Å; Y276-A354 PolarHBondContact O-N 3.47Å; A354-L357 WeakPolarHBondContact O-CB 3.24Å; A354-L357 PolarHBondContact O-N 3.4Å; A354-A358 PolarHBondContact O-N 3.25Å |
| 355 | R | 92.4 | Very high | 88.3 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -52.2 | 172.6 | -179.6 | 176.2 | 176.5 | 166.4 | 5.3 | 113.3 | Y276 D277 S353 L357 A358 E359 | Y276-R355 HydrophobicContact CD1-CB 3.88Å; Y276-R355 HydrophobicContact CD1-CG 4.4Å; Y276-R355 HydrophobicContact CE1-CB 3.55Å; Y276-R355 HydrophobicContact CE1-CG 3.76Å; Y276-R355 HydrophobicContact CE2-CB 4.23Å; Y276-R355 HydrophobicContact CG-CB 4.37Å; Y276-R355 PolarHBondContact O-N 3.42Å; Y276-R355 VanDerWaalsContact O-N 3.08Å; D277-R355 WeakPolarHBondContact OD1-CD 3.3Å; D277-R355 IonicContact OD1-CZ 3.8Å; D277-R355 IonicContact OD1-NE 3.8Å; D277-R355 IonicContact OD1-NH1 3.47Å; D277-R355 PolarHBondContact OD1-NH1 3.44Å; S353-R355 VanDerWaalsContact C-N 3.25Å; S353-R355 PolarHBondContact O-N 2.97Å; R355-L357 PolarHBondContact O-N 2.78Å; R355-L357 VanDerWaalsContact O-N 3.17Å; R355-A358 WeakPolarHBondContact O-CB 3.21Å; R355-A358 PolarHBondContact O-N 3.47Å; R355-E359 HydrophobicContact CG-CG 4.36Å; R355-E359 WeakPolarHBondContact CG-OE1 3.25Å; R355-E359 IonicContact CZ-OE1 3.88Å; R355-E359 IonicContact NE-OE1 2.96Å; R355-E359 PolarHBondContact NE-OE1 2.88Å; R355-E359 IonicContact NH2-OE1 2.67Å; R355-E359 WeakPolarHBondContact O-CG 3.5Å; R355-E359 PolarHBondContact O-N 3.23Å |
| 356 | D | 91.5 | Very high | 86.8 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59 | -33.5 | 179.6 | -61.7 | -23.2 | 0 | 0 | 0 | 111 | C352 S353 K360 | C352-D356 HydrophobicContact CB-CB 3.79Å; C352-D356 WeakPolarHBondContact CB-OD2 3.33Å; S353-D356 PolarHBondContact N-OD2 3.47Å; S353-D356 PolarHBondContact O-N 3.26Å; S353-D356 PolarHBondContact OG-N 3.39Å; S353-D356 PolarHBondContact OG-OD1 2.95Å; S353-D356 PolarHBondContact OG-OD2 3.45Å; S353-D356 VanDerWaalsContact OG-OD2 3.13Å; D356-K360 WeakPolarHBondContact O-CB 3.29Å; D356-K360 WeakPolarHBondContact O-CG 3.44Å; D356-K360 PolarHBondContact O-N 3.44Å |
| 357 | L | 89.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 22% | 0.22 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 178 | -167.2 | 143.7 | 0 | 0 | 0 | 111.7 | M199 P350 S353 A354 R355 K361 | M199-L357 HydrophobicContact CE-CD1 4.2Å; M199-L357 HydrophobicContact CE-CD2 4.47Å; M199-L357 HydrophobicContact SD-CD1 4.11Å; P350-L357 HydrophobicContact CB-CD1 3.79Å; P350-L357 HydrophobicContact CG-CD1 3.56Å; S353-L357 WeakPolarHBondContact O-CB 3.44Å; S353-L357 PolarHBondContact O-N 2.85Å; S353-L357 VanDerWaalsContact O-N 3.17Å; A354-L357 WeakPolarHBondContact O-CB 3.24Å; A354-L357 PolarHBondContact O-N 3.4Å; R355-L357 PolarHBondContact O-N 2.78Å; R355-L357 VanDerWaalsContact O-N 3.17Å; L357-K361 WeakPolarHBondContact O-CB 3.48Å; L357-K361 PolarHBondContact O-N 3.28Å; L357-K361 VanDerWaalsContact O-N 3.09Å |
| 358 | A | 88.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y276 A354 R355 K360 K361 Y362 | Y276-A358 WeakPolarHBondContact OH-CB 3.43Å; A354-A358 PolarHBondContact O-N 3.25Å; R355-A358 WeakPolarHBondContact O-CB 3.21Å; R355-A358 PolarHBondContact O-N 3.47Å; A358-K360 PolarHBondContact O-N 3.22Å; A358-K361 WeakPolarHBondContact O-CB 3.43Å; A358-K361 PolarHBondContact O-N 2.98Å; A358-Y362 PolarHBondContact O-N 2.92Å |
| 359 | E | 88.5 | Confident | 82.2 | Confident | 90 Ų | 90 | 74.8 Ų | 74.8 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 177.5 | -71.7 | 179.9 | -171.8 | 0 | 0 | 111.6 | R355 K361 Y362 I363 | R355-E359 HydrophobicContact CG-CG 4.36Å; R355-E359 WeakPolarHBondContact CG-OE1 3.25Å; R355-E359 IonicContact CZ-OE1 3.88Å; R355-E359 IonicContact NE-OE1 2.96Å; R355-E359 PolarHBondContact NE-OE1 2.88Å; R355-E359 IonicContact NH2-OE1 2.67Å; R355-E359 WeakPolarHBondContact O-CG 3.5Å; R355-E359 PolarHBondContact O-N 3.23Å; E359-K361 VanDerWaalsContact C-N 3.34Å; E359-K361 PolarHBondContact O-N 3.4Å; E359-Y362 WeakPolarHBondContact O-CB 3.3Å; E359-Y362 PolarHBondContact O-N 2.98Å; E359-I363 WeakPolarHBondContact O-CG1 3.43Å; E359-I363 PolarHBondContact O-N 3.11Å |
| 360 | K | 85.3 | Confident | 80.4 | Confident | 116 Ų | 116 | 80.3 Ų | 80.3 | 50% | 0.504 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 175.2 | -77.2 | 171.4 | -172.9 | 172.1 | 0 | 112.4 | D356 A358 Y362 I363 L364 | D356-K360 WeakPolarHBondContact O-CB 3.29Å; D356-K360 WeakPolarHBondContact O-CG 3.44Å; D356-K360 PolarHBondContact O-N 3.44Å; A358-K360 PolarHBondContact O-N 3.22Å; K360-Y362 VanDerWaalsContact C-N 3.31Å; K360-Y362 PolarHBondContact O-N 2.93Å; K360-I363 PolarHBondContact O-N 3.23Å; K360-L364 WeakPolarHBondContact O-CB 3.25Å; K360-L364 WeakPolarHBondContact O-CD1 3.45Å; K360-L364 PolarHBondContact O-N 2.95Å |
| 361 | K | 82.8 | Confident | 78.8 | Confident | 146 Ų | 146 | 81.9 Ų | 81.9 | 64% | 0.635 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 177.4 | -173.2 | -179.5 | 178.2 | -174.8 | 0 | 111.2 | L357 A358 E359 S365 | L357-K361 WeakPolarHBondContact O-CB 3.48Å; L357-K361 PolarHBondContact O-N 3.28Å; L357-K361 VanDerWaalsContact O-N 3.09Å; A358-K361 WeakPolarHBondContact O-CB 3.43Å; A358-K361 PolarHBondContact O-N 2.98Å; E359-K361 VanDerWaalsContact C-N 3.34Å; E359-K361 PolarHBondContact O-N 3.4Å; K361-S365 WeakPolarHBondContact O-CB 3.45Å; K361-S365 PolarHBondContact O-N 2.73Å |
| 362 | Y | 78.3 | Confident | 77.1 | Confident | 174 Ų | 174 | 84.5 Ų | 84.5 | 68% | 0.682 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.9 | -46.3 | 175.5 | -174.8 | -95.7 | 0 | 0 | 0 | 111.9 | A358 E359 K360 L364 S365 S366 | A358-Y362 PolarHBondContact O-N 2.92Å; E359-Y362 WeakPolarHBondContact O-CB 3.3Å; E359-Y362 PolarHBondContact O-N 2.98Å; K360-Y362 VanDerWaalsContact C-N 3.31Å; K360-Y362 PolarHBondContact O-N 2.93Å; Y362-L364 PolarHBondContact O-N 3.5Å; Y362-S365 PolarHBondContact O-N 2.59Å; Y362-S366 WeakPolarHBondContact O-CB 3.35Å; Y362-S366 PolarHBondContact O-N 3.47Å |
| 363 | I | 79.4 | Confident | 75.5 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.7 | -66.4 | 165.4 | 0 | 0 | 0 | 111 | E359 K360 S365 S366 S367 | E359-I363 WeakPolarHBondContact O-CG1 3.43Å; E359-I363 PolarHBondContact O-N 3.11Å; K360-I363 PolarHBondContact O-N 3.23Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.16Å; I363-S366 PolarHBondContact O-N 3.41Å; I363-S367 PolarHBondContact O-N 2.98Å; I363-S367 PolarHBondContact O-OG 2.93Å; I363-S367 VanDerWaalsContact O-OG 3.13Å |
| 364 | L | 74.9 | Confident | 74 | Confident | 114 Ų | 114 | 92.7 Ų | 92.7 | 60% | 0.597 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.1 | -40.8 | 177 | -91.5 | 141.9 | 0 | 0 | 0 | 112.4 | K360 Y362 N368 | K360-L364 WeakPolarHBondContact O-CB 3.25Å; K360-L364 WeakPolarHBondContact O-CD1 3.45Å; K360-L364 PolarHBondContact O-N 2.95Å; Y362-L364 PolarHBondContact O-N 3.5Å; L364-N368 VanDerWaalsContact O-CG 3.32Å; L364-N368 PolarHBondContact O-N 3.43Å; L364-N368 VanDerWaalsContact O-N 3.14Å |
| 365 | S | 70.9 | Confident | 72.4 | Confident | 79 Ų | 79 | 98.5 Ų | 98.5 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 175.6 | -169.5 | 0 | 0 | 0 | 0 | 112 | K361 Y362 I363 N368 S369 | K361-S365 WeakPolarHBondContact O-CB 3.45Å; K361-S365 PolarHBondContact O-N 2.73Å; Y362-S365 PolarHBondContact O-N 2.59Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.16Å; S365-N368 PolarHBondContact O-N 3.32Å; S365-S369 PolarHBondContact O-N 2.92Å |
| 366 | S | 64.6 | Low | 70.9 | Confident | 60 Ų | 60 | 96.1 Ų | 96.1 | 42% | 0.42 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 179 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | Y362 I363 S369 F370 | Y362-S366 WeakPolarHBondContact O-CB 3.35Å; Y362-S366 PolarHBondContact O-N 3.47Å; I363-S366 PolarHBondContact O-N 3.41Å; S366-S369 PolarHBondContact O-N 2.88Å; S366-F370 WeakPolarHBondContact O-CB 3.05Å; S366-F370 PolarHBondContact O-N 2.97Å |
| 367 | S | 63.3 | Low | 69.5 | Low | 62 Ų | 62 | 95.7 Ų | 95.7 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 174.7 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | I363 S369 F370 C371 | I363-S367 PolarHBondContact O-N 2.98Å; I363-S367 PolarHBondContact O-OG 2.93Å; I363-S367 VanDerWaalsContact O-OG 3.13Å; S367-S369 VanDerWaalsContact C-N 3.34Å; S367-F370 PolarHBondContact O-N 3.48Å; S367-C371 PolarHBondContact O-N 3.28Å; S367-C371 PolarHBondContact O-SG 3.39Å; S367-C371 VanDerWaalsContact O-SG 3.34Å |
| 368 | N | 60 | Low | 67.9 | Low | 113 Ų | 113 | 98.8 Ų | 98.8 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -36.8 | 175.2 | -71.4 | -11.5 | 0 | 0 | 0 | 112 | L364 S365 Y372 | L364-N368 VanDerWaalsContact O-CG 3.32Å; L364-N368 PolarHBondContact O-N 3.43Å; L364-N368 VanDerWaalsContact O-N 3.14Å; S365-N368 PolarHBondContact O-N 3.32Å; N368-Y372 WeakPolarHBondContact O-CB 3.37Å; N368-Y372 PolarHBondContact O-N 2.85Å |
| 369 | S | 59.1 | Low | 66.4 | Low | 72 Ų | 72 | 100.7 Ų | 100.7 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 174 | -167.7 | 0 | 0 | 0 | 0 | 112 | S365 S366 S367 Y372 E373 | S365-S369 PolarHBondContact O-N 2.92Å; S366-S369 PolarHBondContact O-N 2.88Å; S367-S369 VanDerWaalsContact C-N 3.34Å; S369-Y372 PolarHBondContact O-N 3.17Å; S369-E373 WeakPolarHBondContact O-CB 3.37Å; S369-E373 PolarHBondContact O-N 3.37Å |
| 370 | F | 56.7 | Low | 64.6 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.8 | -36 | 178.9 | -171.9 | -105.7 | 0 | 0 | 0 | 112.6 | S366 S367 N374 | S366-F370 WeakPolarHBondContact O-CB 3.05Å; S366-F370 PolarHBondContact O-N 2.97Å; S367-F370 PolarHBondContact O-N 3.48Å; F370-N374 VanDerWaalsContact CD1-ND2 3.32Å; F370-N374 WeakPolarHBondContact CD1-ND2 3.37Å; F370-N374 WeakPolarHBondContact CE1-ND2 3.48Å; F370-N374 WeakPolarHBondContact CZ-ND2 3.41Å; F370-N374 WeakPolarHBondContact O-CB 3.43Å; F370-N374 VanDerWaalsContact O-CG 3.32Å; F370-N374 PolarHBondContact O-N 3.49Å; F370-N374 PolarHBondContact O-ND2 2.01Å; F370-N374 VanDerWaalsContact O-ND2 3.08Å |
| 371 | C | 58.2 | Low | 63.1 | Low | 72 Ų | 72 | 103 Ų | 103 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 172.4 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | S367 N374 E375 | S367-C371 PolarHBondContact O-N 3.28Å; S367-C371 PolarHBondContact O-SG 3.39Å; S367-C371 VanDerWaalsContact O-SG 3.34Å; C371-N374 PolarHBondContact O-N 3Å; C371-E375 WeakPolarHBondContact O-CB 3Å; C371-E375 WeakPolarHBondContact O-CG 3.35Å; C371-E375 PolarHBondContact O-N 3.26Å |
| 372 | Y | 57 | Low | 61.6 | Low | 164 Ų | 164 | 103.4 Ų | 103.4 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 176.5 | -170.9 | -99 | 0 | 0 | 0 | 112.1 | N368 S369 N374 E375 V376 | N368-Y372 WeakPolarHBondContact O-CB 3.37Å; N368-Y372 PolarHBondContact O-N 2.85Å; S369-Y372 PolarHBondContact O-N 3.17Å; Y372-N374 VanDerWaalsContact C-N 3.33Å; Y372-N374 PolarHBondContact O-N 2.68Å; Y372-E375 PolarHBondContact O-N 2.7Å; Y372-V376 HydrophobicContact CD1-CG2 4.03Å; Y372-V376 HydrophobicContact CE1-CG2 3.72Å; Y372-V376 HydrophobicContact CE2-CG2 4.48Å; Y372-V376 WeakPolarHBondContact O-CB 3.33Å; Y372-V376 VanDerWaalsContact O-CG2 3.25Å; Y372-V376 WeakPolarHBondContact O-CG2 3.48Å; Y372-V376 PolarHBondContact O-N 2.97Å |
| 373 | E | 59.7 | Low | 60.2 | Low | 130 Ų | 130 | 103.2 Ų | 103.2 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 177.8 | -146.2 | 172.4 | -161.5 | 0 | 0 | 111.7 | S369 A377 | S369-E373 WeakPolarHBondContact O-CB 3.37Å; S369-E373 PolarHBondContact O-N 3.37Å; E373-A377 VanDerWaalsContact O-CB 3.23Å; E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.14Å |
| 374 | N | 60.4 | Low | 58.8 | Low | 71 Ų | 71 | 103.7 Ų | 103.7 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.1 | -38.1 | 173.4 | -74.8 | -36.3 | 0 | 0 | 0 | 113.1 | F370 C371 Y372 A377 L378 | F370-N374 VanDerWaalsContact CD1-ND2 3.32Å; F370-N374 WeakPolarHBondContact CD1-ND2 3.37Å; F370-N374 WeakPolarHBondContact CE1-ND2 3.48Å; F370-N374 WeakPolarHBondContact CZ-ND2 3.41Å; F370-N374 WeakPolarHBondContact O-CB 3.43Å; F370-N374 VanDerWaalsContact O-CG 3.32Å; F370-N374 PolarHBondContact O-N 3.49Å; F370-N374 PolarHBondContact O-ND2 2.01Å; F370-N374 VanDerWaalsContact O-ND2 3.08Å; C371-N374 PolarHBondContact O-N 3Å; Y372-N374 VanDerWaalsContact C-N 3.33Å; Y372-N374 PolarHBondContact O-N 2.68Å; N374-A377 PolarHBondContact O-N 3.21Å; N374-L378 WeakPolarHBondContact O-CB 3.37Å; N374-L378 WeakPolarHBondContact O-CD1 3.32Å; N374-L378 WeakPolarHBondContact O-CG 3.49Å; N374-L378 PolarHBondContact O-N 3.21Å |
| 375 | E | 59.3 | Low | 57.3 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 61% | 0.612 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | 175 | -79.4 | -171.2 | 175.3 | 0 | 0 | 111.9 | C371 Y372 L378 T379 | C371-E375 WeakPolarHBondContact O-CB 3Å; C371-E375 WeakPolarHBondContact O-CG 3.35Å; C371-E375 PolarHBondContact O-N 3.26Å; Y372-E375 PolarHBondContact O-N 2.7Å; E375-L378 PolarHBondContact O-N 2.97Å; E375-T379 PolarHBondContact O-N 3.45Å; E375-T379 PolarHBondContact O-OG1 3.47Å |
| 376 | V | 61.8 | Low | 55.9 | Low | 55 Ų | 55 | 110.7 Ų | 110.7 | 33% | 0.333 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.4 | -38 | 173.2 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | Y372 T379 N380 | Y372-V376 HydrophobicContact CD1-CG2 4.03Å; Y372-V376 HydrophobicContact CE1-CG2 3.72Å; Y372-V376 HydrophobicContact CE2-CG2 4.48Å; Y372-V376 WeakPolarHBondContact O-CB 3.33Å; Y372-V376 VanDerWaalsContact O-CG2 3.25Å; Y372-V376 WeakPolarHBondContact O-CG2 3.48Å; Y372-V376 PolarHBondContact O-N 2.97Å; V376-T379 VanDerWaalsContact CA-OG1 3.29Å; V376-T379 WeakPolarHBondContact CA-OG1 3.46Å; V376-T379 PolarHBondContact O-OG1 2.99Å; V376-N380 WeakPolarHBondContact O-CB 3.08Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 3.28Å; V376-N380 PolarHBondContact O-ND2 3.4Å; V376-N380 VanDerWaalsContact O-ND2 3.15Å |
| 377 | A | 60.6 | Low | 54.5 | Low | 54 Ų | 54 | 111.5 Ų | 111.5 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.4 | -32.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E373 N374 K381 | E373-A377 VanDerWaalsContact O-CB 3.23Å; E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.14Å; N374-A377 PolarHBondContact O-N 3.21Å; A377-K381 WeakPolarHBondContact O-CB 3.28Å; A377-K381 PolarHBondContact O-N 2.9Å |
| 378 | L | 57.5 | Low | 53.1 | Low | 106 Ų | 106 | 116.4 Ų | 116.4 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.7 | -43.1 | 176 | -74.5 | 165.9 | 0 | 0 | 0 | 111.9 | N374 E375 K381 E382 | N374-L378 WeakPolarHBondContact O-CB 3.37Å; N374-L378 WeakPolarHBondContact O-CD1 3.32Å; N374-L378 WeakPolarHBondContact O-CG 3.49Å; N374-L378 PolarHBondContact O-N 3.21Å; E375-L378 PolarHBondContact O-N 2.97Å; L378-K381 WeakPolarHBondContact O-CB 3.41Å; L378-K381 PolarHBondContact O-N 2.88Å; L378-K381 VanDerWaalsContact O-N 3.08Å; L378-E382 PolarHBondContact O-N 3.19Å |
| 379 | T | 55.9 | Low | 51.7 | Low | 77 Ų | 77 | 113.9 Ų | 113.9 | 47% | 0.472 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.8 | -40.3 | 175.5 | 36.2 | 0 | 0 | 0 | 0 | 112.4 | E375 V376 K381 E382 E383 | E375-T379 PolarHBondContact O-N 3.45Å; E375-T379 PolarHBondContact O-OG1 3.47Å; V376-T379 VanDerWaalsContact CA-OG1 3.29Å; V376-T379 WeakPolarHBondContact CA-OG1 3.46Å; V376-T379 PolarHBondContact O-OG1 2.99Å; T379-K381 PolarHBondContact O-N 3.36Å; T379-E382 PolarHBondContact O-N 2.89Å; T379-E383 PolarHBondContact O-N 3.09Å |
| 380 | N | 52 | Low | 50.3 | Low | 99 Ų | 99 | 114 Ų | 114 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66 | -21.4 | 173.1 | -75 | -29.6 | 0 | 0 | 0 | 113.7 | V376 T384 | V376-N380 WeakPolarHBondContact O-CB 3.08Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 3.28Å; V376-N380 PolarHBondContact O-ND2 3.4Å; V376-N380 VanDerWaalsContact O-ND2 3.15Å; N380-T384 PolarHBondContact O-OG1 3.4Å |
| 381 | K | 52.7 | Low | 49 | Very low | 155 Ų | 155 | 113.8 Ų | 113.8 | 67% | 0.674 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -85.8 | -34.8 | 178.2 | -134 | 173.7 | -176.7 | 173.5 | 0 | 112 | A377 L378 T379 E383 T384 | A377-K381 WeakPolarHBondContact O-CB 3.28Å; A377-K381 PolarHBondContact O-N 2.9Å; L378-K381 WeakPolarHBondContact O-CB 3.41Å; L378-K381 PolarHBondContact O-N 2.88Å; L378-K381 VanDerWaalsContact O-N 3.08Å; T379-K381 PolarHBondContact O-N 3.36Å; K381-E383 VanDerWaalsContact C-N 3.31Å; K381-T384 PolarHBondContact O-N 3.08Å; K381-T384 PolarHBondContact O-OG1 3.15Å |
| 382 | E | 51.2 | Low | 47.8 | Very low | 156 Ų | 156 | 117.6 Ų | 117.6 | 73% | 0.729 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.7 | -27.1 | 175.1 | -73.6 | -179.2 | 171.5 | 0 | 0 | 112.5 | L378 T379 T384 | L378-E382 PolarHBondContact O-N 3.19Å; T379-E382 PolarHBondContact O-N 2.89Å; E382-T384 VanDerWaalsContact C-N 3.31Å; E382-T384 PolarHBondContact O-N 3.17Å |
| 383 | E | 49.6 | Very low | 46.5 | Very low | 170 Ų | 170 | 113 Ų | 113 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -8.6 | 173.7 | -71.8 | -168.3 | 167.1 | 0 | 0 | 114.5 | T379 K381 | T379-E383 PolarHBondContact O-N 3.09Å; K381-E383 VanDerWaalsContact C-N 3.31Å |
| 384 | T | 49.5 | Very low | 46.2 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 1.7 | -177.7 | 38.8 | 0 | 0 | 0 | 0 | 116 | N380 K381 E382 | N380-T384 PolarHBondContact O-OG1 3.4Å; K381-T384 PolarHBondContact O-N 3.08Å; K381-T384 PolarHBondContact O-OG1 3.15Å; E382-T384 VanDerWaalsContact C-N 3.31Å; E382-T384 PolarHBondContact O-N 3.17Å |
| 385 | D | 43.9 | Very low | 44.7 | Very low | 148 Ų | 148 | 117 Ų | 117 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -118.8 | 28.4 | -175.2 | -144.6 | 16.8 | 0 | 0 | 0 | 114.8 | ||
| 386 | E | 41.8 | Very low | 43.4 | Very low | 192 Ų | 192 | 116.4 Ų | 116.4 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -125.7 | 103.1 | 162.7 | -74.3 | -155.9 | 161.9 | 0 | 0 | 112.6 | ||
| 387 | G | 34.8 | Very low | 41.9 | Very low | 77 Ų | 77 | 120.5 Ų | 120.5 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | 95.6 | 109.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 388 | N | 33.3 | Very low | 40.4 | Very low | 166 Ų | 166 | 126 Ų | 126 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | 165.8 | 140.9 | 87.1 | -163.8 | 23.2 | 0 | 0 | 0 | 111.8 | |||||
| 389 | G | 30.3 | Very low | 39.2 | Very low | 60 Ų | 60 | 127.1 Ų | 127.1 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | trans | -84.7 | 143.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 390 | G | 29.5 | Very low | 37.9 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 61.1 | 112.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 391 | S | 29.8 | Very low | 36.8 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | 174 | 119.9 | 104.5 | 41.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 392 | V | 32.9 | Very low | 35.8 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 92% | 0.915 | 78% | 0.78 | S | S | * | * | trans | 21.9 | 120.3 | 143.5 | -169.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 393 | G | 29.9 | Very low | 34.8 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | 109.9 | 153 | 119.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 394 | P | 53 | Low | 33.8 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -124.2 | 159.8 | -117.2 | 38.6 | -26.9 | 0 | 0 | 0 | 115.1 | |||||
| 395 | D | 28.9 | Very low | 32.7 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -159.8 | 148.9 | 133.9 | -119.2 | -22.3 | 0 | 0 | 0 | 113.9 | ||||
| 396 | V | 32.7 | Very low | 32 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | -90.2 | 135.7 | -166 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 397 | T | 29.9 | Very low | 31.4 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -168.7 | 124 | 130.6 | 12 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 398 | H | 30.4 | Very low | 31 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | trans | -67.2 | 138.2 | 168.9 | -100.6 | -95.2 | 0 | 0 | 0 | 111.1 | ||||
| 399 | T | 30.7 | Very low | 30.7 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | -176.8 | 114.5 | 120.1 | 21.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 400 | D | 28.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | trans | 41.1 | 115.1 | 140.9 | -57.8 | -16.7 | 0 | 0 | 0 | 122.6 | ||||
| 401 | N | 29.5 | Very low | 30.7 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 77.8 | 109.2 | 126.1 | -72.1 | -17.3 | 0 | 0 | 0 | 122 | |||||
| 402 | I | 32 | Very low | 31 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | 84.7 | 89.8 | 127.6 | -58.4 | 169.7 | 0 | 0 | 0 | 117 | |||||
| 403 | S | 30.1 | Very low | 31.1 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 50.8 | 102.6 | 133.2 | 68.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 404 | D | 28.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | 25.7 | 121.5 | 123.6 | -73.6 | -36.4 | 0 | 0 | 0 | 119.6 | |||||
| 405 | S | 26.6 | Very low | 30.4 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 57.8 | 97.4 | 79.3 | -88.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 406 | A | 28.5 | Very low | 30.6 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | 80.7 | 116.1 | 84.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 407 | R | 28.8 | Very low | 30.7 | Very low | 215 Ų | 215 | 145.3 Ų | 145.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 162.9 | 137.3 | 104.9 | -91 | 179.5 | 170.4 | 170.1 | 1 | 111.9 | |||||
| 408 | H | 27.7 | Very low | 30.9 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | 52.4 | 134.9 | 138.8 | -60.2 | -42.8 | 0 | 0 | 0 | 118.5 | ||||
| 409 | Q | 27.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | cis | -176.1 | 132 | 29.5 | -131 | 166.8 | 7.8 | 0 | 0 | 106.9 | ||||
| 410 | A | 29.1 | Very low | 31.2 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -174.6 | 107.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 411 | T | 30.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 155 Ų | 155 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | -143.8 | 105.4 | 169.2 | -37.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 412 | V | 35.6 | Very low | 31.7 | Very low | 138 Ų | 138 | 156.7 Ų | 156.7 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -105 | 120.5 | 163.7 | 176.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 413 | P | 35.2 | Very low | 31.7 | Very low | 117 Ų | 117 | 155.6 Ų | 155.6 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86 | 129 | 174.7 | 3.8 | 13.9 | 0 | 0 | 0 | 110.5 | ||
| 414 | L | 34.1 | Very low | 32 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 122.4 | 168.2 | -80.9 | 155.9 | 0 | 0 | 0 | 109.7 | ||
| 415 | E | 34.8 | Very low | 32.6 | Very low | 187 Ų | 187 | 164.3 Ų | 164.3 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 140.1 | 170.1 | -107.1 | -175.6 | 153.1 | 0 | 0 | 111.7 | ||
| 416 | P | 32.8 | Very low | 32.9 | Very low | 122 Ų | 122 | 167.2 Ų | 167.2 | 79% | 0.792 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 120.3 | 175.4 | 31.5 | -29.9 | 0 | 0 | 0 | 111.8 | ||
| 417 | R | 33.8 | Very low | 33.2 | Very low | 243 Ų | 243 | 171.5 Ų | 171.5 | 92% | 0.917 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 133.5 | 168.3 | -83.7 | -176.6 | 172.7 | 177.3 | -1.4 | 111 | ||
| 418 | P | 35.3 | Very low | 33.4 | Very low | 122 Ų | 122 | 169.1 Ų | 169.1 | 79% | 0.792 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 144.7 | -179.6 | 32.3 | -32.4 | 0 | 0 | 0 | 113.1 | ||
| 419 | L | 33.4 | Very low | 33.7 | Very low | 183 Ų | 183 | 170.2 Ų | 170.2 | 96% | 0.958 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.4 | 168.7 | -76.9 | 142.4 | 0 | 0 | 0 | 111.2 | ||
| 420 | R | 32.7 | Very low | 34.1 | Very low | 250 Ų | 250 | 169.4 Ų | 169.4 | 94% | 0.943 | 88% | 0.876 | S | S | * | * | trans | -122.1 | 124.4 | 164.6 | -160.5 | 174.3 | -174.8 | 167.3 | 1.5 | 109.9 | ||||
| 421 | R | 34.6 | Very low | 34.5 | Very low | 217 Ų | 217 | 174.1 Ų | 174.1 | 82% | 0.819 | 88% | 0.88 | S | S | * | * | trans | -83.2 | 156.8 | 176.4 | -144.2 | -174.8 | -164.2 | 171.8 | 1.9 | 110.1 | ||||
| 422 | E | 34.1 | Very low | 34.8 | Very low | 170 Ų | 170 | 176.9 Ų | 176.9 | 79% | 0.794 | 88% | 0.884 | S | S | * | * | trans | 79.5 | 119.5 | 161.3 | -68.5 | 169.1 | -174.5 | 0 | 0 | 119.4 | ||||
| 423 | S | 33 | Very low | 34.7 | Very low | 120 Ų | 120 | 179.9 Ų | 179.9 | 84% | 0.839 | 89% | 0.888 | S | S | * | * | -171.2 | 133.8 | 105.1 | 53.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 424 | E | 36.5 | Very low | 34.7 | Very low | 188 Ų | 188 | 185.2 Ų | 185.2 | 88% | 0.879 | 90% | 0.898 | S | S | * | * | trans | -53.5 | 144.3 | 163.8 | -63 | 164.6 | 140.8 | 0 | 0 | 112.3 | ||||
| 425 | I | 40.8 | Very low | 34.7 | Very low | 245 Ų | 245 | 186.1 Ų | 186.1 | 100% | 1.256 | 90% | 0.897 | S | S | * | * | -167.4 | 0 | 123.5 | -85.4 | 155.3 | 0 | 0 | 0 | 107.1 |
Retrieved 425 of 425 residues in 107.9 ms
(Link to these results)