| 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 | 31.1 | Very low | 30.1 | Very low | 237 Ų | 237 | 135.4 Ų | 135.4 | 100% | 1.167 | 83% | 0.832 | S | S | * | * | 0 | 115.1 | 0 | -73.3 | 179.5 | -172.4 | 0 | 0 | 107.7 | |||||
| 2 | N | 32.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | 39.6 | 109.3 | 160 | -58.5 | -4.7 | 0 | 0 | 0 | 118.9 | ||||
| 3 | A | 33.7 | Very low | 29.4 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | 72.2 | 135.1 | 87 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 4 | S | 33.7 | Very low | 29.3 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | cis | -177.1 | 148.7 | 9.8 | 39.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | T | 31 | Very low | 29 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 84% | 0.837 | S | S | * | * | trans | 51.4 | 121.5 | 143.9 | 52.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 6 | F | 30.7 | Very low | 28.8 | Very low | 213 Ų | 213 | 136.8 Ų | 136.8 | 93% | 0.934 | 82% | 0.819 | S | S | * | * | -160.9 | 134.8 | 109.4 | -103.8 | -77.6 | 0 | 0 | 0 | 109.7 | |||||
| 7 | G | 26.1 | Very low | 28.6 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | -86.1 | 152.9 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 8 | F | 27.6 | Very low | 28.6 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 95% | 0.947 | 83% | 0.825 | S | S | * | * | trans | -120.3 | 129.7 | 154.2 | -91.6 | -88 | 0 | 0 | 0 | 108.2 | ||||
| 9 | A | 29.2 | Very low | 28.4 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -73.7 | 135.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | S | 30 | Very low | 28.5 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -16.1 | 136.1 | 158.1 | 51.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 11 | G | 25 | Very low | 28.6 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | cis | 84.4 | 91 | 23.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 12 | Q | 27.5 | Very low | 28.4 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -160.4 | 105.5 | 147.9 | -113.7 | 177 | 0.5 | 0 | 0 | 112.1 | ||||
| 13 | T | 24.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 131 Ų | 131 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -62.3 | 134.1 | 154.4 | 29.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | I | 27.5 | Very low | 28.4 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -130.8 | 85.7 | 161.6 | -54.6 | 173.4 | 0 | 0 | 0 | 107.6 | ||||
| 15 | N | 25.6 | Very low | 29.1 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 94% | 0.941 | 79% | 0.794 | S | S | * | * | trans | -94.4 | 104.6 | 145.2 | -90.5 | -13.4 | 0 | 0 | 0 | 104.8 | ||||
| 16 | G | 25.4 | Very low | 30.3 | Very low | 54 Ų | 54 | 132.9 Ų | 132.9 | 56% | 0.557 | 80% | 0.803 | S | S | * | * | trans | -119.4 | 107.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V18 | G16-V18 PolarHBondContact O-N 3.03Š| ||
| 17 | D | 24.4 | Very low | 32 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -48.8 | 114.4 | 166.2 | -84.8 | -43.7 | 0 | 0 | 0 | 110.8 | R19 | D17-R19 VanDerWaalsContact C-N 3.32Å; D17-R19 PolarHBondContact O-N 3.43Å; D17-R19 VanDerWaalsContact O-N 3.16Å | ||
| 18 | V | 28.6 | Very low | 34.6 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -87.1 | 78.4 | 169.3 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | G16 | G16-V18 PolarHBondContact O-N 3.03Š| ||
| 19 | R | 25.3 | Very low | 37.4 | Very low | 230 Ų | 230 | 113.9 Ų | 113.9 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | trans | -99.3 | 98.9 | 148.2 | -79.5 | -175.8 | 175.9 | -178.1 | -1.2 | 106.4 | D17 | D17-R19 VanDerWaalsContact C-N 3.32Å; D17-R19 PolarHBondContact O-N 3.43Å; D17-R19 VanDerWaalsContact O-N 3.16Å | ||
| 20 | N | 31.1 | Very low | 40.3 | Very low | 144 Ų | 144 | 112.5 Ų | 112.5 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -169.2 | 99 | 157.9 | -93.5 | -26.6 | 0 | 0 | 0 | 110.9 | A22 | N20-A22 VanDerWaalsContact C-N 3.31Å; N20-A22 PolarHBondContact O-N 3.31Å | ||
| 21 | G | 29.1 | Very low | 43 | Very low | 93 Ų | 93 | 110.5 Ų | 110.5 | 96% | 0.959 | 67% | 0.673 | S | S | * | * | trans | -66.6 | 92.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 22 | A | 26.8 | Very low | 45.9 | Very low | 80 Ų | 80 | 110.1 Ų | 110.1 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | trans | -148 | 113.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | N20 | N20-A22 VanDerWaalsContact C-N 3.31Å; N20-A22 PolarHBondContact O-N 3.31Å | ||
| 23 | A | 30.1 | Very low | 48.9 | Very low | 104 Ų | 104 | 102.4 Ų | 102.4 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | trans | 53.6 | 60.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 24 | S | 38.3 | Very low | 52.2 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 56% | 0.559 | 58% | 0.576 | S | S | * | * | trans | -65.6 | 139.3 | 153.7 | 68.6 | 0 | 0 | 0 | 0 | 108.9 | Q26 S28 | S24-Q26 PolarHBondContact O-N 3.46Å; S24-S28 VanDerWaalsContact CB-OG 3.28Å; S24-S28 WeakPolarHBondContact CB-OG 3.47Å; S24-S28 PolarHBondContact OG-OG 3.26Å | ||
| 25 | A | 47.8 | Very low | 55.1 | Low | 81 Ų | 81 | 88.8 Ų | 88.8 | 67% | 0.669 | 54% | 0.541 | S | S | * | . | trans | -44.2 | 126.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | G27 S28 | A25-G27 PolarHBondContact O-N 3.34Å; A25-S28 WeakPolarHBondContact O-CB 3.38Å; A25-S28 PolarHBondContact O-N 2.98Å; A25-S28 PolarHBondContact O-OG 2.99Å | ||
| 26 | Q | 55.2 | Low | 58.3 | Low | 196 Ų | 196 | 81.3 Ų | 81.3 | 92% | 0.916 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | 118.5 | -170.6 | -84.4 | -175.5 | -19.3 | 0 | 0 | 111.2 | S24 | S24-Q26 PolarHBondContact O-N 3.46Š|
| 27 | G | 68 | Low | 61.6 | Low | 11 Ų | 11 | 78.8 Ų | 78.8 | 11% | 0.113 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | 2.4 | 178 | 0 | 0 | 0 | 0 | 0 | 116.4 | A25 | A25-G27 PolarHBondContact O-N 3.34Š|
| 28 | S | 80.4 | Confident | 64.8 | Low | 51 Ų | 51 | 71.2 Ų | 71.2 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | trans | -68.9 | 146 | 175.2 | 65 | 0 | 0 | 0 | 0 | 112.8 | S24 A25 R50 | S24-S28 VanDerWaalsContact CB-OG 3.28Å; S24-S28 WeakPolarHBondContact CB-OG 3.47Å; S24-S28 PolarHBondContact OG-OG 3.26Å; A25-S28 WeakPolarHBondContact O-CB 3.38Å; A25-S28 PolarHBondContact O-N 2.98Å; A25-S28 PolarHBondContact O-OG 2.99Å; S28-R50 PolarHBondContact O-NE 3.31Å | ||
| 29 | F | 86.6 | Confident | 67.9 | Low | 39 Ų | 39 | 66.1 Ų | 66.1 | 17% | 0.171 | 40% | 0.398 | C | S | . | . | trans | -142.5 | 162.2 | 173.7 | 58.4 | -92.6 | 0 | 0 | 0 | 110.3 | P31 Y34 I38 E43 M46 R47 R50 | F29-P31 WeakPolarHBondContact O-CD 3.39Å; F29-Y34 HydrophobicContact CB-CD2 3.87Å; F29-Y34 HydrophobicContact CB-CE2 3.95Å; F29-Y34 HydrophobicContact CD2-CD2 4.08Å; F29-Y34 HydrophobicContact CG-CD2 4.37Å; F29-I38 HydrophobicContact CD2-CD1 4.28Å; F29-I38 HydrophobicContact CE2-CD1 3.55Å; F29-I38 HydrophobicContact CE2-CG1 3.95Å; F29-I38 HydrophobicContact CZ-CD1 4.42Å; F29-E43 HydrophobicContact CZ-CB 4.27Å; F29-E43 HydrophobicContact CZ-CG 4.29Å; F29-M46 HydrophobicContact CD1-CB 3.75Å; F29-M46 HydrophobicContact CE1-CB 3.45Å; F29-M46 VanDerWaalsContact CE1-CB 3.45Å; F29-M46 HydrophobicContact CE1-CG 4.5Å; F29-M46 HydrophobicContact CE2-CB 4.31Å; F29-M46 HydrophobicContact CG-CB 4.29Å; F29-M46 HydrophobicContact CZ-CB 3.77Å; F29-M46 HydrophobicContact CZ-CG 4.38Å; F29-R47 HydrophobicContact CD1-CG 4.4Å; F29-R47 HydrophobicContact CE1-CG 3.85Å; F29-R50 HydrophobicContact CB-CG 3.86Å; F29-R50 HydrophobicContact CD1-CG 4.16Å; F29-R50 HydrophobicContact CG-CG 4.48Å | ||
| 30 | D | 89.2 | Confident | 71.1 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | trans | -83.3 | 109.6 | 177.2 | 178.4 | -6.1 | 0 | 0 | 0 | 110.9 | Q32 L33 Y34 | D30-Q32 PolarHBondContact O-N 3.28Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.23Å; D30-Q32 PolarHBondContact OD1-N 3.03Å; D30-L33 HydrophobicContact CB-CB 4.01Å; D30-L33 PolarHBondContact O-N 2.84Å; D30-L33 PolarHBondContact OD1-N 3.23Å; D30-Y34 WeakPolarHBondContact O-CD2 3.47Å; D30-Y34 PolarHBondContact O-N 3.34Å; D30-Y34 VanDerWaalsContact O-N 3.09Å | ||
| 31 | P | 85.9 | Confident | 74.1 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.2 | -178.5 | 28.8 | -34.8 | 0 | 0 | 0 | 113.5 | F29 S35 I38 | F29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-S35 WeakPolarHBondContact O-CA 3.4Å; P31-S35 WeakPolarHBondContact O-CB 3.33Å; P31-S35 PolarHBondContact O-N 2.85Å; P31-I38 HydrophobicContact CB-CD1 4.28Å |
| 32 | Q | 86.1 | Confident | 77 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 29% | 0.29 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -45.9 | 177.4 | -166 | -179.2 | 18.9 | 0 | 0 | 110.5 | D30 V511 D872 | D30-Q32 PolarHBondContact O-N 3.28Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.23Å; D30-Q32 PolarHBondContact OD1-N 3.03Å; Q32-V511 HydrophobicContact CG-CB 4.4Å; Q32-V511 HydrophobicContact CG-CG1 4.25Å; Q32-D872 PolarHBondContact NE2-O 3.41Å; Q32-D872 VanDerWaalsContact NE2-O 3.1Å |
| 33 | L | 91.4 | Very high | 80 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -46.9 | 176.2 | 178.2 | 61 | 0 | 0 | 0 | 111.9 | D30 V511 L514 N515 | D30-L33 HydrophobicContact CB-CB 4.01Å; D30-L33 PolarHBondContact O-N 2.84Å; D30-L33 PolarHBondContact OD1-N 3.23Å; L33-V511 HydrophobicContact CB-CG1 4.47Å; L33-L514 HydrophobicContact CD1-CB 3.78Å; L33-N515 HydrophobicContact CD1-CB 4.33Å; L33-N515 VanDerWaalsContact O-CB 3.28Å; L33-N515 WeakPolarHBondContact O-CB 3.46Å |
| 34 | Y | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 9.2 | -175.6 | -61.1 | -73.1 | 0 | 0 | 0 | 113.9 | F29 D30 R36 Q37 I38 M46 L72 G74 N118 N515 | F29-Y34 HydrophobicContact CB-CD2 3.87Å; F29-Y34 HydrophobicContact CB-CE2 3.95Å; F29-Y34 HydrophobicContact CD2-CD2 4.08Å; F29-Y34 HydrophobicContact CG-CD2 4.37Å; D30-Y34 WeakPolarHBondContact O-CD2 3.47Å; D30-Y34 PolarHBondContact O-N 3.34Å; D30-Y34 VanDerWaalsContact O-N 3.09Å; Y34-R36 PolarHBondContact O-N 3.48Å; Y34-Q37 PolarHBondContact O-N 3.07Å; Y34-I38 VanDerWaalsContact O-CG1 3.3Å; Y34-I38 WeakPolarHBondContact O-CG1 3.42Å; Y34-I38 PolarHBondContact O-N 3.08Å; Y34-M46 HydrophobicContact CD1-CE 3.5Å; Y34-M46 HydrophobicContact CD2-CE 4Å; Y34-M46 HydrophobicContact CE1-CE 3.98Å; Y34-M46 HydrophobicContact CE2-CE 4.45Å; Y34-M46 HydrophobicContact CG-CE 3.53Å; Y34-L72 WeakPolarHBondContact CE1-O 3.41Å; Y34-G74 VanDerWaalsContact OH-CA 3.27Å; Y34-G74 WeakPolarHBondContact OH-CA 3.38Å; Y34-N118 PolarHBondContact OH-ND2 3.42Å; Y34-N515 VanDerWaalsContact CD1-ND2 3.33Å; Y34-N515 WeakPolarHBondContact CD1-ND2 3.35Å |
| 35 | S | 88.6 | Confident | 85.5 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -44.3 | -56 | -172.6 | 170.4 | 0 | 0 | 0 | 0 | 112.9 | P31 Q37 I38 Y39 | P31-S35 WeakPolarHBondContact O-CA 3.4Å; P31-S35 WeakPolarHBondContact O-CB 3.33Å; P31-S35 PolarHBondContact O-N 2.85Å; S35-Q37 VanDerWaalsContact C-N 3.34Å; S35-Q37 PolarHBondContact O-N 3.46Å; S35-I38 PolarHBondContact O-N 3.37Å; S35-Y39 WeakPolarHBondContact O-CD2 3.44Å; S35-Y39 VanDerWaalsContact O-CE2 3.23Å; S35-Y39 WeakPolarHBondContact O-CE2 3.4Å |
| 36 | R | 91.8 | Very high | 87.7 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -31.9 | -177 | -55.2 | -54 | -169.1 | -112.3 | -1 | 113.3 | Y34 R516 D872 A913 | Y34-R36 PolarHBondContact O-N 3.48Å; R36-R516 VanDerWaalsContact CG-NH1 3.29Å; R36-D872 IonicContact CZ-OD2 2.75Å; R36-D872 IonicContact NH1-OD1 3.28Å; R36-D872 PolarHBondContact NH1-OD1 3.19Å; R36-D872 IonicContact NH1-OD2 3.9Å; R36-D872 IonicContact NH2-OD1 2.72Å; R36-D872 IonicContact NH2-OD2 3.38Å; R36-D872 PolarHBondContact NH2-OD2 3.44Å; R36-A913 CarbonylContact C-O 3.59Å; R36-A913 HydrophobicContact CB-CB 4.29Å; R36-A913 PolarHBondContact O-N 3.01Å |
| 37 | Q | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.7 | -32.3 | 179.7 | -175.3 | 174.9 | -62 | 0 | 0 | 112.3 | Y34 S35 Y39 V40 L41 M46 G73 N515 A913 I914 | Y34-Q37 PolarHBondContact O-N 3.07Å; S35-Q37 VanDerWaalsContact C-N 3.34Å; S35-Q37 PolarHBondContact O-N 3.46Å; Q37-Y39 PolarHBondContact O-N 3.01Å; Q37-V40 WeakPolarHBondContact O-CA 3.41Å; Q37-V40 WeakPolarHBondContact O-CB 3.35Å; Q37-V40 PolarHBondContact O-N 3.42Å; Q37-L41 HydrophobicContact CG-CD1 3.88Å; Q37-L41 HydrophobicContact CG-CG 4.28Å; Q37-L41 PolarHBondContact O-N 3.46Å; Q37-M46 HydrophobicContact CG-SD 4.12Å; Q37-M46 PolarHBondContact NE2-SD 3.45Å; Q37-G73 PolarHBondContact NE2-O 3.06Å; Q37-N515 PolarHBondContact OE1-ND2 3.43Å; Q37-N515 PolarHBondContact OE1-OD1 2.8Å; Q37-A913 WeakPolarHBondContact CA-O 3.5Å; Q37-A913 PolarHBondContact N-O 3.33Å; Q37-I914 HydrophobicContact CG-CD1 3.97Å; Q37-I914 HydrophobicContact CG-CG1 4.08Å |
| 38 | I | 93.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -37.5 | 175.6 | -65.5 | 156.1 | 0 | 0 | 0 | 110.3 | F29 P31 Y34 S35 V40 G42 E43 M46 L901 | F29-I38 HydrophobicContact CD2-CD1 4.28Å; F29-I38 HydrophobicContact CE2-CD1 3.55Å; F29-I38 HydrophobicContact CE2-CG1 3.95Å; F29-I38 HydrophobicContact CZ-CD1 4.42Å; P31-I38 HydrophobicContact CB-CD1 4.28Å; Y34-I38 VanDerWaalsContact O-CG1 3.3Å; Y34-I38 WeakPolarHBondContact O-CG1 3.42Å; Y34-I38 PolarHBondContact O-N 3.08Å; S35-I38 PolarHBondContact O-N 3.37Å; I38-V40 PolarHBondContact O-N 2.85Å; I38-G42 WeakPolarHBondContact O-CA 3.47Å; I38-G42 PolarHBondContact O-N 2.84Å; I38-E43 HydrophobicContact CG2-CG 3.98Å; I38-M46 HydrophobicContact CG1-CG 3.99Å; I38-L901 HydrophobicContact CG2-CD2 3.87Å |
| 39 | Y | 91.8 | Very high | 91.4 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 13% | 0.129 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70 | -9 | 175.3 | -55 | -51.2 | 0 | 0 | 0 | 114.2 | S35 Q37 L901 Q905 I910 | S35-Y39 WeakPolarHBondContact O-CD2 3.44Å; S35-Y39 VanDerWaalsContact O-CE2 3.23Å; S35-Y39 WeakPolarHBondContact O-CE2 3.4Å; Q37-Y39 PolarHBondContact O-N 3.01Å; Y39-L901 HydrophobicContact CE1-CD1 4.15Å; Y39-L901 HydrophobicContact CE1-CG 4Å; Y39-L901 WeakPolarHBondContact OH-CD1 3.47Å; Y39-L901 PolarHBondContact OH-O 3.41Å; Y39-Q905 HydrophobicContact CD1-CB 4.03Å; Y39-Q905 HydrophobicContact CD1-CG 3.58Å; Y39-Q905 HydrophobicContact CD2-CG 4.1Å; Y39-Q905 HydrophobicContact CE1-CB 3.41Å; Y39-Q905 VanDerWaalsContact CE1-CB 3.41Å; Y39-Q905 HydrophobicContact CE1-CG 3.52Å; Y39-Q905 HydrophobicContact CE2-CB 4.19Å; Y39-Q905 HydrophobicContact CE2-CG 4.05Å; Y39-Q905 HydrophobicContact CG-CG 3.88Å; Y39-Q905 VanDerWaalsContact CZ-CB 3.49Å; Y39-Q905 PolarHBondContact OH-N 3.37Å; Y39-I910 HydrophobicContact CD2-CB 4.47Å; Y39-I910 HydrophobicContact CD2-CG2 3.62Å; Y39-I910 HydrophobicContact CE2-CB 4.16Å; Y39-I910 HydrophobicContact CE2-CD1 3.98Å; Y39-I910 HydrophobicContact CE2-CG2 3.58Å |
| 40 | V | 94.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.085 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -96.7 | -49.7 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | Q37 I38 F415 G603 P912 I914 | Q37-V40 WeakPolarHBondContact O-CA 3.41Å; Q37-V40 WeakPolarHBondContact O-CB 3.35Å; Q37-V40 PolarHBondContact O-N 3.42Å; I38-V40 PolarHBondContact O-N 2.85Å; V40-F415 HydrophobicContact CG1-CE2 4.37Å; V40-F415 HydrophobicContact CG1-CZ 4.02Å; V40-F415 WeakPolarHBondContact O-CZ 3.46Å; V40-G603 VanDerWaalsContact CG2-CA 3.49Å; V40-P912 HydrophobicContact CG2-CB 3.62Å; V40-I914 HydrophobicContact CG1-CB 4.43Å; V40-I914 HydrophobicContact CG1-CG2 4.21Å; V40-I914 HydrophobicContact CG2-CB 4.44Å |
| 41 | L | 92.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -99.3 | -26.2 | -171 | -59 | 179 | 0 | 0 | 0 | 113.6 | Q37 A45 M46 L49 M408 F415 I914 | Q37-L41 HydrophobicContact CG-CD1 3.88Å; Q37-L41 HydrophobicContact CG-CG 4.28Å; Q37-L41 PolarHBondContact O-N 3.46Å; L41-A45 HydrophobicContact CB-CB 3.77Å; L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-M46 HydrophobicContact CD1-SD 4.13Å; L41-L49 HydrophobicContact CD1-CD1 3.86Å; L41-M408 HydrophobicContact CD1-SD 4.35Å; L41-F415 HydrophobicContact CD2-CE2 3.76Å; L41-F415 HydrophobicContact CD2-CZ 4.04Å; L41-I914 HydrophobicContact CD1-CD1 3.97Å; L41-I914 HydrophobicContact CD2-CD1 4.2Å; L41-I914 HydrophobicContact CG-CD1 4.13Å |
| 42 | G | 90.9 | Very high | 92.3 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 32% | 0.32 | 17% | 0.172 | S | C | . | . | trans | 82.6 | 156.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I38 Q44 A45 M46 | I38-G42 WeakPolarHBondContact O-CA 3.47Å; I38-G42 PolarHBondContact O-N 2.84Å; G42-Q44 VanDerWaalsContact C-N 3.33Å; G42-Q44 PolarHBondContact O-N 2.84Å; G42-A45 WeakPolarHBondContact O-CB 3.37Å; G42-A45 PolarHBondContact O-N 3.44Å; G42-M46 PolarHBondContact O-N 3.27Å; G42-M46 VanDerWaalsContact O-N 3.16Å | ||
| 43 | E | 90 | Very high | 92.7 | Very high | 71 Ų | 71 | 33.7 Ų | 33.7 | 33% | 0.332 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.9 | -39.3 | -177.4 | -66.4 | -163 | 161.7 | 0 | 0 | 113.3 | F29 I38 A45 M46 R47 | F29-E43 HydrophobicContact CZ-CB 4.27Å; F29-E43 HydrophobicContact CZ-CG 4.29Å; I38-E43 HydrophobicContact CG2-CG 3.98Å; E43-A45 VanDerWaalsContact C-N 3.28Å; E43-A45 PolarHBondContact O-N 3.08Å; E43-M46 WeakPolarHBondContact O-CB 3.39Å; E43-M46 PolarHBondContact O-N 3.15Å; E43-R47 WeakPolarHBondContact O-CG 3.36Å; E43-R47 PolarHBondContact O-N 3.28Å; E43-R47 IonicContact OE2-CZ 3.91Å; E43-R47 IonicContact OE2-NH2 2.63Å; E43-R47 PolarHBondContact OE2-NH2 3.47Å |
| 44 | Q | 90.1 | Very high | 92.9 | Very high | 146 Ų | 146 | 32.8 Ų | 32.8 | 68% | 0.682 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -62.6 | -38.9 | -179 | -67.3 | -171.6 | 4.2 | 0 | 0 | 111.5 | G42 R47 R48 | G42-Q44 VanDerWaalsContact C-N 3.33Å; G42-Q44 PolarHBondContact O-N 2.84Å; Q44-R47 PolarHBondContact O-N 3.36Å; Q44-R48 WeakPolarHBondContact O-CG 3.36Å; Q44-R48 PolarHBondContact O-N 2.98Å; Q44-R48 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L41 G42 E43 R47 R48 L49 T412 I414 | L41-A45 HydrophobicContact CB-CB 3.77Å; L41-A45 WeakPolarHBondContact O-CB 3.49Å; G42-A45 WeakPolarHBondContact O-CB 3.37Å; G42-A45 PolarHBondContact O-N 3.44Å; E43-A45 VanDerWaalsContact C-N 3.28Å; E43-A45 PolarHBondContact O-N 3.08Å; A45-R47 PolarHBondContact O-N 2.92Å; A45-R48 WeakPolarHBondContact O-CB 3.46Å; A45-R48 PolarHBondContact O-N 3.34Å; A45-R48 VanDerWaalsContact O-N 3.14Å; A45-L49 PolarHBondContact O-N 3.35Å; A45-T412 HydrophobicContact CB-CG2 4.05Å; A45-T412 WeakPolarHBondContact O-CG2 3.16Å; A45-I414 HydrophobicContact CB-CG1 3.8Å |
| 46 | M | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 174.1 | -69.6 | -56.1 | -59.5 | 0 | 0 | 111.8 | F29 Y34 Q37 I38 L41 G42 E43 R48 L49 R50 | F29-M46 HydrophobicContact CD1-CB 3.75Å; F29-M46 HydrophobicContact CE1-CB 3.45Å; F29-M46 VanDerWaalsContact CE1-CB 3.45Å; F29-M46 HydrophobicContact CE1-CG 4.5Å; F29-M46 HydrophobicContact CE2-CB 4.31Å; F29-M46 HydrophobicContact CG-CB 4.29Å; F29-M46 HydrophobicContact CZ-CB 3.77Å; F29-M46 HydrophobicContact CZ-CG 4.38Å; Y34-M46 HydrophobicContact CD1-CE 3.5Å; Y34-M46 HydrophobicContact CD2-CE 4Å; Y34-M46 HydrophobicContact CE1-CE 3.98Å; Y34-M46 HydrophobicContact CE2-CE 4.45Å; Y34-M46 HydrophobicContact CG-CE 3.53Å; Q37-M46 HydrophobicContact CG-SD 4.12Å; Q37-M46 PolarHBondContact NE2-SD 3.45Å; I38-M46 HydrophobicContact CG1-CG 3.99Å; L41-M46 HydrophobicContact CD1-SD 4.13Å; G42-M46 PolarHBondContact O-N 3.27Å; G42-M46 VanDerWaalsContact O-N 3.16Å; E43-M46 WeakPolarHBondContact O-CB 3.39Å; E43-M46 PolarHBondContact O-N 3.15Å; M46-R48 VanDerWaalsContact C-N 3.27Å; M46-R48 PolarHBondContact O-N 3Å; M46-L49 WeakPolarHBondContact O-CB 3.38Å; M46-L49 PolarHBondContact O-N 3.47Å; M46-L49 VanDerWaalsContact O-N 3.1Å; M46-L49 HydrophobicContact SD-CD1 4.06Å; M46-R50 WeakPolarHBondContact O-CG 3.48Å; M46-R50 PolarHBondContact O-N 2.98Å |
| 47 | R | 93.5 | Very high | 93.8 | Very high | 131 Ų | 131 | 32 Ų | 32 | 49% | 0.494 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 176 | -64.9 | -179.6 | -163.8 | 177.9 | 7.2 | 112 | F29 E43 Q44 A45 R50 I51 | F29-R47 HydrophobicContact CD1-CG 4.4Å; F29-R47 HydrophobicContact CE1-CG 3.85Å; E43-R47 WeakPolarHBondContact O-CG 3.36Å; E43-R47 PolarHBondContact O-N 3.28Å; E43-R47 IonicContact OE2-CZ 3.91Å; E43-R47 IonicContact OE2-NH2 2.63Å; E43-R47 PolarHBondContact OE2-NH2 3.47Å; Q44-R47 PolarHBondContact O-N 3.36Å; A45-R47 PolarHBondContact O-N 2.92Å; R47-R50 PolarHBondContact O-N 3.21Å; R47-I51 PolarHBondContact O-N 2.79Å |
| 48 | R | 93.7 | Very high | 93.9 | Very high | 90 Ų | 90 | 32.2 Ų | 32.2 | 34% | 0.34 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 174.4 | -71.7 | 177.9 | -177 | -176 | 2.5 | 112.1 | Q44 A45 M46 R50 I51 S52 N208 T412 | Q44-R48 WeakPolarHBondContact O-CG 3.36Å; Q44-R48 PolarHBondContact O-N 2.98Å; Q44-R48 VanDerWaalsContact O-N 3.08Å; A45-R48 WeakPolarHBondContact O-CB 3.46Å; A45-R48 PolarHBondContact O-N 3.34Å; A45-R48 VanDerWaalsContact O-N 3.14Å; M46-R48 VanDerWaalsContact C-N 3.27Å; M46-R48 PolarHBondContact O-N 3Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3.32Å; R48-I51 VanDerWaalsContact O-CG1 3.24Å; R48-I51 WeakPolarHBondContact O-CG1 3.47Å; R48-I51 PolarHBondContact O-N 3.25Å; R48-S52 WeakPolarHBondContact O-CB 3.46Å; R48-S52 PolarHBondContact O-N 3.4Å; R48-S52 PolarHBondContact O-OG 3.49Å; R48-N208 PolarHBondContact NH1-ND2 3.49Å; R48-T412 HydrophobicContact CB-CG2 4.39Å; R48-T412 WeakPolarHBondContact CD-O 3.33Å; R48-T412 PolarHBondContact NH1-O 2.87Å |
| 49 | L | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.2 | -68.3 | 174.2 | 0 | 0 | 0 | 111.3 | L41 A45 M46 I51 S52 V75 R76 M408 L411 T412 | L41-L49 HydrophobicContact CD1-CD1 3.86Å; A45-L49 PolarHBondContact O-N 3.35Å; M46-L49 WeakPolarHBondContact O-CB 3.38Å; M46-L49 PolarHBondContact O-N 3.47Å; M46-L49 VanDerWaalsContact O-N 3.1Å; M46-L49 HydrophobicContact SD-CD1 4.06Å; L49-I51 PolarHBondContact O-N 2.9Å; L49-I51 VanDerWaalsContact O-N 3.09Å; L49-S52 PolarHBondContact O-N 2.96Å; L49-V75 HydrophobicContact CD2-CG1 3.97Å; L49-V75 CarbonylContact O-C 3.4Å; L49-V75 WeakPolarHBondContact O-CA 3.2Å; L49-R76 PolarHBondContact O-N 3.47Å; L49-M408 HydrophobicContact CD2-CB 4.5Å; L49-M408 HydrophobicContact CD2-CG 4.35Å; L49-L411 HydrophobicContact CD2-CB 4.03Å; L49-L411 HydrophobicContact CD2-CD1 4.26Å; L49-T412 HydrophobicContact CD1-CG2 4.26Å; L49-T412 HydrophobicContact CD2-CG2 3.58Å; L49-T412 HydrophobicContact CG-CG2 3.56Å |
| 50 | R | 93.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.7 | 179.9 | -66.3 | -50.2 | -63.6 | 157.6 | 2.5 | 115.4 | S28 F29 M46 R47 R48 G74 V75 R76 S120 | S28-R50 PolarHBondContact O-NE 3.31Å; F29-R50 HydrophobicContact CB-CG 3.86Å; F29-R50 HydrophobicContact CD1-CG 4.16Å; F29-R50 HydrophobicContact CG-CG 4.48Å; M46-R50 WeakPolarHBondContact O-CG 3.48Å; M46-R50 PolarHBondContact O-N 2.98Å; R47-R50 PolarHBondContact O-N 3.21Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3.32Å; R50-G74 WeakPolarHBondContact CD-O 3.33Å; R50-G74 PolarHBondContact NH1-O 3.5Å; R50-V75 PolarHBondContact NH1-O 3.03Å; R50-R76 VanDerWaalsContact O-CB 3.28Å; R50-R76 WeakPolarHBondContact O-CB 3.24Å; R50-S120 VanDerWaalsContact CZ-O 3.3Å; R50-S120 PolarHBondContact NH1-O 2.99Å; R50-S120 PolarHBondContact NH2-O 3.27Å |
| 51 | I | 92.6 | Very high | 94.5 | Very high | 89 Ų | 89 | 29.9 Ų | 29.9 | 46% | 0.456 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 1.4 | 173.6 | 65.1 | 172.3 | 0 | 0 | 0 | 112.9 | R47 R48 L49 | R47-I51 PolarHBondContact O-N 2.79Å; R48-I51 VanDerWaalsContact O-CG1 3.24Å; R48-I51 WeakPolarHBondContact O-CG1 3.47Å; R48-I51 PolarHBondContact O-N 3.25Å; L49-I51 PolarHBondContact O-N 2.9Å; L49-I51 VanDerWaalsContact O-N 3.09Å |
| 52 | S | 93.2 | Very high | 94.8 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | trans | -102.3 | 141.3 | -175.6 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | R48 L49 R76 Q77 | R48-S52 WeakPolarHBondContact O-CB 3.46Å; R48-S52 PolarHBondContact O-N 3.4Å; R48-S52 PolarHBondContact O-OG 3.49Å; L49-S52 PolarHBondContact O-N 2.96Å; S52-R76 WeakPolarHBondContact O-CA 3.39Å; S52-R76 WeakPolarHBondContact O-CB 3.34Å; S52-R76 PolarHBondContact O-N 2.98Å; S52-Q77 PolarHBondContact O-N 3.47Å | ||
| 53 | S | 94.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.6 | 177.4 | -65 | 0 | 0 | 0 | 0 | 110.9 | R76 Q77 Q159 | S53-R76 PolarHBondContact OG-NE 3.26Å; S53-R76 VanDerWaalsContact OG-NE 3.11Å; S53-R76 PolarHBondContact OG-NH2 2.84Å; S53-Q77 VanDerWaalsContact CA-O 3.3Å; S53-Q77 WeakPolarHBondContact CA-O 3.47Å; S53-Q159 PolarHBondContact O-N 3.06Å; S53-Q159 PolarHBondContact O-OE1 2.93Å |
| 54 | A | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L70 Q77 V78 T79 L160 | A54-L70 HydrophobicContact CB-CD1 4.24Å; A54-Q77 PolarHBondContact N-O 3.07Å; A54-V78 WeakPolarHBondContact O-CA 3.5Å; A54-T79 PolarHBondContact O-N 2.9Å; A54-L160 WeakPolarHBondContact CA-O 3.26Å; A54-L160 HydrophobicContact CB-CB 4.38Å |
| 55 | L | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.6 | 168.7 | 178.5 | 68.5 | 0 | 0 | 0 | 109 | T79 H81 L130 I134 F158 L160 I161 I162 | L55-T79 CarbonylContact C-O 3.49Å; L55-T79 WeakPolarHBondContact CA-O 3.47Å; L55-T79 HydrophobicContact CD1-CG2 3.57Å; L55-T79 WeakPolarHBondContact CD1-O 3.44Å; L55-H81 HydrophobicContact CD1-CB 3.93Å; L55-L130 HydrophobicContact CD2-CD1 3.73Å; L55-I134 HydrophobicContact CD2-CG2 4.1Å; L55-F158 HydrophobicContact CB-CD1 3.93Å; L55-F158 HydrophobicContact CB-CD2 4.2Å; L55-F158 HydrophobicContact CB-CE1 4.13Å; L55-F158 HydrophobicContact CB-CE2 4.38Å; L55-F158 HydrophobicContact CB-CG 3.98Å; L55-F158 HydrophobicContact CB-CZ 4.35Å; L55-F158 HydrophobicContact CD1-CZ 4.22Å; L55-F158 HydrophobicContact CD2-CD2 4.47Å; L55-F158 HydrophobicContact CD2-CE2 4.38Å; L55-L160 PolarHBondContact N-O 2.85Å; L55-I161 HydrophobicContact CB-CD1 3.74Å; L55-I161 HydrophobicContact CD2-CD1 3.96Å; L55-I161 HydrophobicContact CD2-CG2 4.36Å; L55-I161 HydrophobicContact CG-CD1 4.46Å; L55-I162 PolarHBondContact O-N 3.17Å |
| 56 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114.2 | 175 | -53.7 | 167.9 | 0 | 0 | 0 | 108.2 | I59 I66 A67 L70 V78 T79 H81 I162 | I56-I59 HydrophobicContact CB-CD1 4.28Å; I56-I59 HydrophobicContact CG2-CD1 3.97Å; I56-I66 HydrophobicContact CD1-CB 4.47Å; I56-I66 HydrophobicContact CD1-CG2 3.91Å; I56-I66 HydrophobicContact CG1-CG2 4.39Å; I56-A67 VanDerWaalsContact CD1-CA 3.46Å; I56-A67 HydrophobicContact CD1-CB 3.64Å; I56-L70 HydrophobicContact CD1-CD1 4.24Å; I56-V78 HydrophobicContact CD1-CG1 3.67Å; I56-V78 HydrophobicContact CG1-CG1 4.28Å; I56-T79 PolarHBondContact N-O 2.89Å; I56-H81 PolarHBondContact O-N 3.22Å; I56-I162 CarbonylContact C-O 3.54Å; I56-I162 WeakPolarHBondContact CA-O 3.4Å; I56-I162 HydrophobicContact CG1-CB 4.4Å; I56-I162 HydrophobicContact CG1-CD1 4.11Å |
| 57 | S | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 4% | 0.035 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.3 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | H81 I162 T164 | S57-H81 CarbonylContact C-O 3.58Å; S57-H81 WeakPolarHBondContact CA-O 3.37Å; S57-H81 WeakPolarHBondContact CB-ND1 3.46Å; S57-H81 PolarHBondContact OG-CE1 2.75Å; S57-H81 PolarHBondContact OG-ND1 3.18Å; S57-I162 PolarHBondContact N-O 3.02Å; S57-T164 PolarHBondContact O-N 3.19Å; S57-T164 PolarHBondContact O-OG1 3.38Å |
| 58 | G | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 4% | 0.041 | 6% | 0.056 | C | C | . | . | trans | 91.7 | 110.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G63 H81 T164 | G58-G63 WeakPolarHBondContact O-CA 3.32Å; G58-H81 PolarHBondContact N-O 2.95Å; G58-T164 WeakPolarHBondContact CA-OG1 3.41Å; G58-T164 PolarHBondContact O-OG1 3.07Å | ||
| 59 | I | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | trans | -113.5 | 44.7 | -177.5 | -51 | -64.2 | 0 | 0 | 0 | 109.7 | I56 V64 I80 D82 A107 | I56-I59 HydrophobicContact CB-CD1 4.28Å; I56-I59 HydrophobicContact CG2-CD1 3.97Å; I59-V64 HydrophobicContact CG2-CB 4.32Å; I59-I80 HydrophobicContact CD1-CB 3.58Å; I59-I80 HydrophobicContact CD1-CG2 3.63Å; I59-I80 HydrophobicContact CG1-CB 3.91Å; I59-I80 HydrophobicContact CG1-CG2 4.42Å; I59-D82 HydrophobicContact CB-CB 4.36Å; I59-D82 HydrophobicContact CG1-CB 4.16Å; I59-D82 PolarHBondContact N-OD2 3.23Å; I59-A107 HydrophobicContact CG1-CB 4.34Å | ||
| 60 | G | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.01 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -73.3 | -161 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A62 G63 V64 E165 | G60-A62 PolarHBondContact O-N 2.89Å; G60-G63 PolarHBondContact O-N 3.13Å; G60-V64 WeakPolarHBondContact O-CG1 3.22Å; G60-V64 PolarHBondContact O-N 2.93Å; G60-E165 PolarHBondContact N-OE2 2.97Å |
| 61 | G | 97.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 5.8 Ų | 5.8 | 4% | 0.041 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V64 E65 | G61-V64 WeakPolarHBondContact O-CG1 3.42Å; G61-E65 WeakPolarHBondContact O-CB 3.38Å; G61-E65 PolarHBondContact O-N 2.97Å |
| 62 | A | 98 | Very high | 97.6 | Very high | 9 Ų | 9 | 1.6 Ų | 1.6 | 7% | 0.074 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -68.4 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G60 E65 I66 I188 | G60-A62 PolarHBondContact O-N 2.89Å; A62-E65 PolarHBondContact O-N 3.17Å; A62-I66 WeakPolarHBondContact O-CD1 3.22Å; A62-I66 VanDerWaalsContact O-CG1 3.23Å; A62-I66 WeakPolarHBondContact O-CG1 3.47Å; A62-I66 PolarHBondContact O-N 2.97Å; A62-I188 HydrophobicContact CB-CG2 4.4Å |
| 63 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G58 G60 E65 I66 A67 | G58-G63 WeakPolarHBondContact O-CA 3.32Å; G60-G63 PolarHBondContact O-N 3.13Å; G63-E65 VanDerWaalsContact C-N 3.34Å; G63-I66 PolarHBondContact O-N 3.13Å; G63-A67 WeakPolarHBondContact O-CB 3.41Å; G63-A67 PolarHBondContact O-N 2.83Å |
| 64 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -67.2 | -35.7 | 177 | 72.6 | 0 | 0 | 0 | 0 | 112 | I59 G60 G61 A67 K68 Q94 Y95 Y96 L114 | I59-V64 HydrophobicContact CG2-CB 4.32Å; G60-V64 WeakPolarHBondContact O-CG1 3.22Å; G60-V64 PolarHBondContact O-N 2.93Å; G61-V64 WeakPolarHBondContact O-CG1 3.42Å; V64-A67 PolarHBondContact O-N 2.82Å; V64-K68 WeakPolarHBondContact O-CB 3.26Å; V64-K68 PolarHBondContact O-N 2.91Å; V64-Q94 HydrophobicContact CB-CG 4.2Å; V64-Q94 HydrophobicContact CG1-CG 3.83Å; V64-Y95 HydrophobicContact CG1-CD1 4.37Å; V64-Y95 HydrophobicContact CG1-CE1 3.79Å; V64-Y95 HydrophobicContact CG2-CE2 4.12Å; V64-Y95 PolarHBondContact O-OH 3.43Å; V64-Y96 HydrophobicContact CG2-CD2 3.61Å; V64-Y96 HydrophobicContact CG2-CE2 4.22Å; V64-Y96 HydrophobicContact CG2-CG 4.43Å; V64-L114 HydrophobicContact CG2-CD2 4.4Å |
| 65 | E | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 176.1 | -167.9 | 69.7 | -135.8 | 0 | 0 | 111.4 | G61 A62 G63 K68 N69 Y95 K486 Y487 A919 | G61-E65 WeakPolarHBondContact O-CB 3.38Å; G61-E65 PolarHBondContact O-N 2.97Å; A62-E65 PolarHBondContact O-N 3.17Å; G63-E65 VanDerWaalsContact C-N 3.34Å; E65-K68 WeakPolarHBondContact OE1-CE 3.49Å; E65-K68 IonicContact OE1-NZ 3.37Å; E65-N69 PolarHBondContact O-N 2.97Å; E65-N69 VanDerWaalsContact O-N 3.16Å; E65-N69 PolarHBondContact O-ND2 2.84Å; E65-N69 PolarHBondContact OE1-ND2 3.14Å; E65-Y95 WeakPolarHBondContact CA-OH 3.3Å; E65-Y95 WeakPolarHBondContact OE2-CE1 3.33Å; E65-K486 IonicContact OE1-NZ 2.84Å; E65-K486 PolarHBondContact OE1-NZ 3.44Å; E65-K486 IonicContact OE2-NZ 3.54Å; E65-K486 PolarHBondContact OE2-NZ 3.45Å; E65-Y487 PolarHBondContact OE1-OH 3.14Å; E65-Y487 PolarHBondContact OE2-OH 3.37Å; E65-A919 WeakPolarHBondContact OE1-CB 3.36Å |
| 66 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 175.2 | -65.6 | 163.6 | 0 | 0 | 0 | 110.4 | I56 A62 G63 N69 L70 I162 T164 I188 A403 | I56-I66 HydrophobicContact CD1-CB 4.47Å; I56-I66 HydrophobicContact CD1-CG2 3.91Å; I56-I66 HydrophobicContact CG1-CG2 4.39Å; A62-I66 WeakPolarHBondContact O-CD1 3.22Å; A62-I66 VanDerWaalsContact O-CG1 3.23Å; A62-I66 WeakPolarHBondContact O-CG1 3.47Å; A62-I66 PolarHBondContact O-N 2.97Å; G63-I66 PolarHBondContact O-N 3.13Å; I66-N69 PolarHBondContact O-N 2.67Å; I66-L70 HydrophobicContact CG2-CD1 3.97Å; I66-L70 HydrophobicContact CG2-CG 4.39Å; I66-L70 WeakPolarHBondContact O-CG 3.34Å; I66-L70 PolarHBondContact O-N 2.78Å; I66-I162 HydrophobicContact CD1-CG2 4.18Å; I66-I162 HydrophobicContact CG2-CD1 3.91Å; I66-T164 HydrophobicContact CD1-CG2 4.28Å; I66-I188 HydrophobicContact CD1-CD1 4.08Å; I66-I188 HydrophobicContact CD1-CG1 4.32Å; I66-A403 HydrophobicContact CD1-CB 3.71Å; I66-A403 HydrophobicContact CG1-CB 3.84Å |
| 67 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I56 G63 V64 N69 L70 I71 I80 L114 | I56-A67 VanDerWaalsContact CD1-CA 3.46Å; I56-A67 HydrophobicContact CD1-CB 3.64Å; G63-A67 WeakPolarHBondContact O-CB 3.41Å; G63-A67 PolarHBondContact O-N 2.83Å; V64-A67 PolarHBondContact O-N 2.82Å; A67-N69 VanDerWaalsContact C-N 3.33Å; A67-N69 PolarHBondContact O-N 3.18Å; A67-L70 PolarHBondContact O-N 3.07Å; A67-I71 WeakPolarHBondContact O-CB 3.16Å; A67-I71 WeakPolarHBondContact O-CD1 3.07Å; A67-I71 WeakPolarHBondContact O-CG1 3.47Å; A67-I71 PolarHBondContact O-N 3.12Å; A67-I80 HydrophobicContact CB-CG2 4.21Å; A67-L114 HydrophobicContact CB-CD1 4.25Å; A67-L114 HydrophobicContact CB-CD2 3.93Å |
| 68 | K | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -50.7 | -53.8 | 176 | 178.6 | -159.3 | 69.9 | 89.8 | 0 | 110.8 | V64 E65 L70 I71 L72 Y95 L117 E483 F518 | V64-K68 WeakPolarHBondContact O-CB 3.26Å; V64-K68 PolarHBondContact O-N 2.91Å; E65-K68 WeakPolarHBondContact OE1-CE 3.49Å; E65-K68 IonicContact OE1-NZ 3.37Å; K68-L70 PolarHBondContact O-N 3.43Å; K68-I71 PolarHBondContact O-N 3.32Å; K68-L72 HydrophobicContact CD-CD1 4.31Å; K68-L72 HydrophobicContact CG-CD1 3.79Å; K68-L72 HydrophobicContact CG-CG 4.49Å; K68-L72 WeakPolarHBondContact O-CB 3.38Å; K68-L72 VanDerWaalsContact O-CG 3.23Å; K68-L72 WeakPolarHBondContact O-CG 3.44Å; K68-L72 PolarHBondContact O-N 3.12Å; K68-Y95 WeakPolarHBondContact CB-OH 3.25Å; K68-Y95 WeakPolarHBondContact CD-OH 3.33Å; K68-L117 HydrophobicContact CB-CD1 4.11Å; K68-L117 HydrophobicContact CG-CD1 3.81Å; K68-E483 IonicContact NZ-OE1 2.81Å; K68-E483 PolarHBondContact NZ-OE1 2.93Å; K68-F518 HydrophobicContact CD-CB 4.28Å; K68-F518 HydrophobicContact CD-CD1 4.11Å; K68-F518 HydrophobicContact CD-CD2 3.84Å; K68-F518 HydrophobicContact CD-CE2 4.23Å; K68-F518 HydrophobicContact CD-CG 3.79Å; K68-F518 HydrophobicContact CG-CB 4.47Å; K68-F518 HydrophobicContact CG-CD2 4.34Å; K68-F518 HydrophobicContact CG-CG 4.4Å |
| 69 | N | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -69 | -34.3 | -174.7 | -73 | -57.8 | 0 | 0 | 0 | 113 | E65 I66 A67 G73 A404 M408 A915 T916 | E65-N69 PolarHBondContact O-N 2.97Å; E65-N69 VanDerWaalsContact O-N 3.16Å; E65-N69 PolarHBondContact O-ND2 2.84Å; E65-N69 PolarHBondContact OE1-ND2 3.14Å; I66-N69 PolarHBondContact O-N 2.67Å; A67-N69 VanDerWaalsContact C-N 3.33Å; A67-N69 PolarHBondContact O-N 3.18Å; N69-G73 PolarHBondContact O-N 2.97Å; N69-A404 HydrophobicContact CB-CB 3.37Å; N69-M408 VanDerWaalsContact O-CE 3.24Å; N69-M408 WeakPolarHBondContact O-CE 3.35Å; N69-A915 WeakPolarHBondContact OD1-CB 3.37Å; N69-A915 PolarHBondContact OD1-O 3.36Å; N69-T916 HydrophobicContact CB-CG2 4.1Å |
| 70 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -70.6 | -39.7 | 174.8 | -74.1 | -179.4 | 0 | 0 | 0 | 112.8 | A54 I56 I66 A67 K68 G73 G74 V75 V78 I162 A407 M408 | A54-L70 HydrophobicContact CB-CD1 4.24Å; I56-L70 HydrophobicContact CD1-CD1 4.24Å; I66-L70 HydrophobicContact CG2-CD1 3.97Å; I66-L70 HydrophobicContact CG2-CG 4.39Å; I66-L70 WeakPolarHBondContact O-CG 3.34Å; I66-L70 PolarHBondContact O-N 2.78Å; A67-L70 PolarHBondContact O-N 3.07Å; K68-L70 PolarHBondContact O-N 3.43Å; L70-G73 PolarHBondContact O-N 2.95Å; L70-G74 PolarHBondContact O-N 3.39Å; L70-V75 HydrophobicContact CB-CG1 4.48Å; L70-V75 HydrophobicContact CB-CG2 4.37Å; L70-V75 HydrophobicContact CD2-CG1 4.23Å; L70-V75 WeakPolarHBondContact O-CG2 3.42Å; L70-V75 PolarHBondContact O-N 3.45Å; L70-V78 HydrophobicContact CB-CG2 4.13Å; L70-I162 HydrophobicContact CD1-CD1 3.91Å; L70-A407 HydrophobicContact CD1-CB 4.04Å; L70-A407 HydrophobicContact CD2-CB 3.84Å; L70-A407 HydrophobicContact CG-CB 4.4Å; L70-M408 HydrophobicContact CD2-CE 4.33Å; L70-M408 HydrophobicContact CD2-CG 3.96Å |
| 71 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.4 | -48.5 | 176.5 | -67 | 164.4 | 0 | 0 | 0 | 110.2 | A67 K68 G73 G74 V78 L114 L117 N118 V121 V123 | A67-I71 WeakPolarHBondContact O-CB 3.16Å; A67-I71 WeakPolarHBondContact O-CD1 3.07Å; A67-I71 WeakPolarHBondContact O-CG1 3.47Å; A67-I71 PolarHBondContact O-N 3.12Å; K68-I71 PolarHBondContact O-N 3.32Å; I71-G73 VanDerWaalsContact C-N 3.25Å; I71-G73 PolarHBondContact O-N 3.22Å; I71-G74 PolarHBondContact O-N 3.38Å; I71-V78 HydrophobicContact CG1-CB 4.11Å; I71-V78 HydrophobicContact CG1-CG2 3.74Å; I71-L114 HydrophobicContact CD1-CB 3.8Å; I71-L114 HydrophobicContact CD1-CD2 3.79Å; I71-L114 HydrophobicContact CD1-CG 4.31Å; I71-L117 HydrophobicContact CG2-CB 3.76Å; I71-L117 HydrophobicContact CG2-CD1 4.44Å; I71-N118 HydrophobicContact CG2-CB 3.73Å; I71-N118 PolarHBondContact O-ND2 3.4Å; I71-V121 HydrophobicContact CG1-CG1 4.22Å; I71-V121 HydrophobicContact CG2-CB 4.14Å; I71-V121 HydrophobicContact CG2-CG1 4.33Å; I71-V121 HydrophobicContact CG2-CG2 4.37Å; I71-V121 WeakPolarHBondContact O-CG2 3.36Å; I71-V123 HydrophobicContact CD1-CG1 4.4Å; I71-V123 HydrophobicContact CD1-CG2 3.73Å; I71-V123 HydrophobicContact CG1-CG2 4.13Å |
| 72 | L | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.2 | -38.9 | 173.4 | -72.6 | 173.6 | 0 | 0 | 0 | 111.9 | Y34 K68 G74 L117 L514 N515 F518 A915 | Y34-L72 WeakPolarHBondContact CE1-O 3.41Å; K68-L72 HydrophobicContact CD-CD1 4.31Å; K68-L72 HydrophobicContact CG-CD1 3.79Å; K68-L72 HydrophobicContact CG-CG 4.49Å; K68-L72 WeakPolarHBondContact O-CB 3.38Å; K68-L72 VanDerWaalsContact O-CG 3.23Å; K68-L72 WeakPolarHBondContact O-CG 3.44Å; K68-L72 PolarHBondContact O-N 3.12Å; L72-G74 PolarHBondContact O-N 2.73Å; L72-G74 VanDerWaalsContact O-N 3.17Å; L72-L117 HydrophobicContact CD2-CB 4.28Å; L72-L117 HydrophobicContact CD2-CD2 4.45Å; L72-L514 WeakPolarHBondContact CD2-O 3.31Å; L72-N515 WeakPolarHBondContact CB-O 3.43Å; L72-N515 PolarHBondContact O-ND2 3.3Å; L72-F518 HydrophobicContact CD1-CB 3.69Å; L72-F518 HydrophobicContact CD2-CB 4.3Å; L72-A915 HydrophobicContact CB-CB 4.34Å; L72-A915 HydrophobicContact CD1-CB 4.02Å |
| 73 | G | 96.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q37 N69 L70 I71 | Q37-G73 PolarHBondContact NE2-O 3.06Å; N69-G73 PolarHBondContact O-N 2.97Å; L70-G73 PolarHBondContact O-N 2.95Å; I71-G73 VanDerWaalsContact C-N 3.25Å; I71-G73 PolarHBondContact O-N 3.22Å |
| 74 | G | 95.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 32.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y34 R50 L70 I71 L72 | Y34-G74 VanDerWaalsContact OH-CA 3.27Å; Y34-G74 WeakPolarHBondContact OH-CA 3.38Å; R50-G74 WeakPolarHBondContact CD-O 3.33Å; R50-G74 PolarHBondContact NH1-O 3.5Å; L70-G74 PolarHBondContact O-N 3.39Å; I71-G74 PolarHBondContact O-N 3.38Å; L72-G74 PolarHBondContact O-N 2.73Å; L72-G74 VanDerWaalsContact O-N 3.17Å |
| 75 | V | 94.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -58.1 | 158.5 | 168.6 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | L49 R50 L70 Q77 V78 V121 L411 | L49-V75 HydrophobicContact CD2-CG1 3.97Å; L49-V75 CarbonylContact O-C 3.4Å; L49-V75 WeakPolarHBondContact O-CA 3.2Å; R50-V75 PolarHBondContact NH1-O 3.03Å; L70-V75 HydrophobicContact CB-CG1 4.48Å; L70-V75 HydrophobicContact CB-CG2 4.37Å; L70-V75 HydrophobicContact CD2-CG1 4.23Å; L70-V75 WeakPolarHBondContact O-CG2 3.42Å; L70-V75 PolarHBondContact O-N 3.45Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 3.19Å; V75-V78 HydrophobicContact CG2-CG2 3.31Å; V75-V121 HydrophobicContact CG2-CG1 4.09Å; V75-V121 WeakPolarHBondContact O-CG1 3.02Å; V75-V121 WeakPolarHBondContact O-CG2 3.49Å; V75-L411 HydrophobicContact CG1-CD1 3.87Å | ||
| 76 | R | 94.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 17.5 Ų | 17.5 | 36% | 0.355 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -58.7 | -49.5 | 177.4 | -171.8 | 179.5 | 62 | 156.3 | -1.3 | 111.3 | L49 R50 S52 S53 T122 | L49-R76 PolarHBondContact O-N 3.47Å; R50-R76 VanDerWaalsContact O-CB 3.28Å; R50-R76 WeakPolarHBondContact O-CB 3.24Å; S52-R76 WeakPolarHBondContact O-CA 3.39Å; S52-R76 WeakPolarHBondContact O-CB 3.34Å; S52-R76 PolarHBondContact O-N 2.98Å; S53-R76 PolarHBondContact OG-NE 3.26Å; S53-R76 VanDerWaalsContact OG-NE 3.11Å; S53-R76 PolarHBondContact OG-NH2 2.84Å; R76-T122 PolarHBondContact O-N 3.2Å; R76-T122 VanDerWaalsContact O-N 3.12Å |
| 77 | Q | 94 | Very high | 96.7 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.047 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 139 | -173.9 | -179.4 | -171.1 | -20.4 | 0 | 0 | 111.3 | S52 S53 A54 V75 T79 T122 N124 M156 | S52-Q77 PolarHBondContact O-N 3.47Å; S53-Q77 VanDerWaalsContact CA-O 3.3Å; S53-Q77 WeakPolarHBondContact CA-O 3.47Å; A54-Q77 PolarHBondContact N-O 3.07Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 3.19Å; Q77-T79 PolarHBondContact NE2-OG1 3.34Å; Q77-T122 CarbonylContact C-O 3.48Å; Q77-T122 WeakPolarHBondContact CA-O 3.23Å; Q77-T122 HydrophobicContact CG-CG2 4.32Å; Q77-T122 VanDerWaalsContact CG-O 3.3Å; Q77-T122 WeakPolarHBondContact CG-O 3.18Å; Q77-N124 PolarHBondContact NE2-ND2 3.44Å; Q77-M156 PolarHBondContact NE2-SD 3.35Å |
| 78 | V | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.2 | 165.7 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | A54 I56 L70 I71 V75 I80 V121 T122 V123 N124 | A54-V78 WeakPolarHBondContact O-CA 3.5Å; I56-V78 HydrophobicContact CD1-CG1 3.67Å; I56-V78 HydrophobicContact CG1-CG1 4.28Å; L70-V78 HydrophobicContact CB-CG2 4.13Å; I71-V78 HydrophobicContact CG1-CB 4.11Å; I71-V78 HydrophobicContact CG1-CG2 3.74Å; V75-V78 HydrophobicContact CG2-CG2 3.31Å; V78-I80 HydrophobicContact CG1-CG2 4.15Å; V78-V121 HydrophobicContact CG2-CG1 4.4Å; V78-T122 PolarHBondContact N-O 2.87Å; V78-V123 CarbonylContact O-C 3.5Å; V78-V123 VanDerWaalsContact O-CA 3.28Å; V78-V123 WeakPolarHBondContact O-CA 3.4Å; V78-N124 PolarHBondContact O-N 2.97Å |
| 79 | T | 95.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.1 | 166.5 | -61.7 | 0 | 0 | 0 | 0 | 108.6 | A54 L55 I56 Q77 N124 F158 | A54-T79 PolarHBondContact O-N 2.9Å; L55-T79 CarbonylContact C-O 3.49Å; L55-T79 WeakPolarHBondContact CA-O 3.47Å; L55-T79 HydrophobicContact CD1-CG2 3.57Å; L55-T79 WeakPolarHBondContact CD1-O 3.44Å; I56-T79 PolarHBondContact N-O 2.89Å; Q77-T79 PolarHBondContact NE2-OG1 3.34Å; T79-N124 CarbonylContact C-O 3.59Å; T79-N124 VanDerWaalsContact CA-O 3.31Å; T79-N124 WeakPolarHBondContact CA-O 3.47Å; T79-N124 HydrophobicContact CG2-CB 4.28Å; T79-F158 HydrophobicContact CG2-CE1 4.48Å; T79-F158 HydrophobicContact CG2-CZ 4.19Å; T79-F158 VanDerWaalsContact OG1-CE1 3.3Å; T79-F158 WeakPolarHBondContact OG1-CE1 3Å |
| 80 | I | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.2 | 173.9 | 57.3 | 171.5 | 0 | 0 | 0 | 109.9 | I59 A67 V78 A107 L111 L114 N124 Y125 S126 | I59-I80 HydrophobicContact CD1-CB 3.58Å; I59-I80 HydrophobicContact CD1-CG2 3.63Å; I59-I80 HydrophobicContact CG1-CB 3.91Å; I59-I80 HydrophobicContact CG1-CG2 4.42Å; A67-I80 HydrophobicContact CB-CG2 4.21Å; V78-I80 HydrophobicContact CG1-CG2 4.15Å; I80-A107 HydrophobicContact CD1-CB 4.2Å; I80-A107 VanDerWaalsContact CD1-O 3.32Å; I80-A107 WeakPolarHBondContact CD1-O 3.16Å; I80-A107 HydrophobicContact CG1-CB 4.26Å; I80-L111 HydrophobicContact CD1-CD1 4.49Å; I80-L114 HydrophobicContact CD1-CD1 3.82Å; I80-L114 HydrophobicContact CG2-CD1 4.15Å; I80-N124 VanDerWaalsContact CG1-O 3.31Å; I80-N124 WeakPolarHBondContact CG1-O 3.45Å; I80-N124 PolarHBondContact N-O 3.5Å; I80-Y125 CarbonylContact O-C 3.54Å; I80-Y125 WeakPolarHBondContact O-CA 3.39Å; I80-S126 PolarHBondContact O-N 3.32Å |
| 81 | H | 96.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128 | -178.9 | 162.2 | -89.7 | 0 | 0 | 0 | 109.8 | L55 I56 S57 G58 S126 R128 L130 | L55-H81 HydrophobicContact CD1-CB 3.93Å; I56-H81 PolarHBondContact O-N 3.22Å; S57-H81 CarbonylContact C-O 3.58Å; S57-H81 WeakPolarHBondContact CA-O 3.37Å; S57-H81 WeakPolarHBondContact CB-ND1 3.46Å; S57-H81 PolarHBondContact OG-CE1 2.75Å; S57-H81 PolarHBondContact OG-ND1 3.18Å; G58-H81 PolarHBondContact N-O 2.95Å; H81-S126 VanDerWaalsContact CA-O 3.27Å; H81-S126 WeakPolarHBondContact CA-O 3.29Å; H81-S126 PolarHBondContact CD2-O 3.44Å; H81-R128 PolarHBondContact CD2-O 3Å; H81-R128 VanDerWaalsContact CD2-O 3.24Å; H81-R128 PolarHBondContact NE2-O 3.23Å; H81-L130 PolarHBondContact NE2-N 3.09Å |
| 82 | D | 96.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | -155.6 | 133 | 171.4 | -153.6 | -26 | 0 | 0 | 0 | 111.7 | I59 K84 N105 R106 A107 S126 | I59-D82 HydrophobicContact CB-CB 4.36Å; I59-D82 HydrophobicContact CG1-CB 4.16Å; I59-D82 PolarHBondContact N-OD2 3.23Å; D82-K84 WeakPolarHBondContact OD1-CB 3.4Å; D82-K84 PolarHBondContact OD1-N 2.98Å; D82-N105 PolarHBondContact O-ND2 2.89Å; D82-R106 IonicContact OD1-NE 3.72Å; D82-R106 IonicContact OD1-NH2 2.67Å; D82-R106 PolarHBondContact OD1-NH2 3.39Å; D82-R106 IonicContact OD2-CZ 3.08Å; D82-R106 IonicContact OD2-NE 3.65Å; D82-R106 PolarHBondContact OD2-NE 3.27Å; D82-R106 IonicContact OD2-NH2 2.74Å; D82-R106 PolarHBondContact OD2-NH2 2.96Å; D82-A107 HydrophobicContact CB-CB 3.82Å; D82-S126 PolarHBondContact N-O 3.41Å; D82-S126 VanDerWaalsContact N-O 3.1Å | ||
| 83 | C | 95.2 | Very high | 96.5 | Very high | 65 Ų | 65 | 30 Ų | 30 | 44% | 0.439 | 14% | 0.141 | S | C | . | . | trans | -97.2 | -6.8 | 173.9 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | I127 | C83-I127 PolarHBondContact SG-O 3.08Å; C83-I127 VanDerWaalsContact SG-O 3.4Å | ||
| 84 | K | 96.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 30 Ų | 30 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -91.7 | 146.2 | -174.9 | -57 | -179.8 | -165.5 | 160.7 | 0 | 111.5 | D82 N105 R106 E165 | D82-K84 WeakPolarHBondContact OD1-CB 3.4Å; D82-K84 PolarHBondContact OD1-N 2.98Å; K84-N105 PolarHBondContact O-ND2 3.46Å; K84-R106 PolarHBondContact O-N 3.12Å; K84-E165 PolarHBondContact NZ-O 3.25Å |
| 85 | N | 97.9 | Very high | 96.6 | Very high | 87 Ų | 87 | 30.3 Ų | 30.3 | 47% | 0.465 | 14% | 0.142 | S | C | . | . | B | Isolated β-bridge | trans | -87.8 | 148.2 | 169.5 | -69.4 | -15.4 | 0 | 0 | 0 | 110.5 | G103 K104 N105 | N85-G103 PolarHBondContact ND2-O 3.44Å; N85-G103 VanDerWaalsContact ND2-O 3.14Å; N85-K104 CarbonylContact C-O 3.58Å; N85-K104 WeakPolarHBondContact CA-O 3.31Å; N85-N105 WeakPolarHBondContact OD1-CA 3.34Å; N85-N105 PolarHBondContact OD1-N 3.3Å |
| 86 | A | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 133.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D90 L97 S101 G103 K104 R106 | A86-D90 WeakPolarHBondContact CA-OD2 3.5Å; A86-L97 HydrophobicContact CB-CD1 3.85Å; A86-S101 WeakPolarHBondContact CB-O 3.25Å; A86-G103 PolarHBondContact O-N 3.14Å; A86-K104 PolarHBondContact N-O 3.48Å; A86-R106 HydrophobicContact CB-CG 4.05Å |
| 87 | Q | 97.5 | Very high | 96.9 | Very high | 127 Ų | 127 | 26.5 Ų | 26.5 | 59% | 0.593 | 13% | 0.128 | S | C | * | . | trans | -119 | 163.2 | 174 | -58.7 | -168.8 | -19.9 | 0 | 0 | 110.2 | R89 D90 L91 I102 | Q87-R89 PolarHBondContact O-N 3.48Å; Q87-R89 VanDerWaalsContact O-N 3.14Å; Q87-D90 PolarHBondContact N-OD2 3.13Å; Q87-D90 WeakPolarHBondContact O-CB 3.48Å; Q87-D90 PolarHBondContact O-N 3.06Å; Q87-L91 WeakPolarHBondContact O-CD1 3.42Å; Q87-I102 VanDerWaalsContact C-CD1 3.43Å | ||
| 88 | W | 97.7 | Very high | 96.9 | Very high | 74 Ų | 74 | 29.3 Ų | 29.3 | 28% | 0.28 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -37.1 | 179.3 | -75.8 | 111.5 | 0 | 0 | 0 | 114 | D90 L91 E99 I102 Q449 N450 | W88-D90 VanDerWaalsContact C-N 3.28Å; W88-D90 PolarHBondContact O-N 2.77Å; W88-L91 HydrophobicContact CE3-CD2 4.34Å; W88-L91 HydrophobicContact CZ3-CD2 4.38Å; W88-L91 PolarHBondContact O-N 3.41Å; W88-E99 HydrophobicContact CH2-CB 4.39Å; W88-E99 HydrophobicContact CH2-CG 4.04Å; W88-E99 HydrophobicContact CZ3-CG 3.84Å; W88-I102 HydrophobicContact CD2-CD1 4.09Å; W88-I102 HydrophobicContact CD2-CG1 4.32Å; W88-I102 HydrophobicContact CE3-CD1 4.27Å; W88-I102 HydrophobicContact CE3-CG1 4.5Å; W88-I102 HydrophobicContact CG-CD1 4.29Å; W88-I102 HydrophobicContact CZ2-CG1 4.42Å; W88-Q449 HydrophobicContact CD2-CB 4.48Å; W88-Q449 HydrophobicContact CG-CB 4.35Å; W88-N450 VanDerWaalsContact CE3-C 3.41Å |
| 89 | R | 96.7 | Very high | 96.9 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 18% | 0.177 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22.7 | 178.2 | -63.8 | -178.5 | -175.1 | -78.1 | 2.2 | 113.8 | Q87 N391 D453 | Q87-R89 PolarHBondContact O-N 3.48Å; Q87-R89 VanDerWaalsContact O-N 3.14Å; R89-N391 PolarHBondContact O-ND2 2.74Å; R89-D453 HydrophobicContact CG-CB 3.86Å; R89-D453 PolarHBondContact NH1-O 2.74Å |
| 90 | D | 97.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -68.3 | -38.7 | 178.9 | -66 | -53.8 | 0 | 0 | 0 | 110.7 | A86 Q87 W88 S92 A93 Q94 L97 R106 N391 | A86-D90 WeakPolarHBondContact CA-OD2 3.5Å; Q87-D90 PolarHBondContact N-OD2 3.13Å; Q87-D90 WeakPolarHBondContact O-CB 3.48Å; Q87-D90 PolarHBondContact O-N 3.06Å; W88-D90 VanDerWaalsContact C-N 3.28Å; W88-D90 PolarHBondContact O-N 2.77Å; D90-S92 PolarHBondContact O-N 3.21Å; D90-A93 PolarHBondContact O-N 3.1Å; D90-A93 VanDerWaalsContact O-N 3.12Å; D90-Q94 VanDerWaalsContact O-CB 3.24Å; D90-Q94 WeakPolarHBondContact O-CB 3.47Å; D90-Q94 PolarHBondContact O-N 3.25Å; D90-L97 HydrophobicContact CB-CD1 4.01Å; D90-R106 IonicContact OD1-NH1 2.76Å; D90-R106 PolarHBondContact OD1-NH1 3.08Å; D90-N391 PolarHBondContact O-ND2 3.01Å |
| 91 | L | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.3 | -12.2 | -177.8 | -79.4 | 62.2 | 0 | 0 | 0 | 113.8 | Q87 W88 A93 L97 E99 I102 R451 | Q87-L91 WeakPolarHBondContact O-CD1 3.42Å; W88-L91 HydrophobicContact CE3-CD2 4.34Å; W88-L91 HydrophobicContact CZ3-CD2 4.38Å; W88-L91 PolarHBondContact O-N 3.41Å; L91-A93 PolarHBondContact O-N 3.34Å; L91-L97 HydrophobicContact CD1-CB 4Å; L91-L97 HydrophobicContact CG-CB 4.37Å; L91-E99 HydrophobicContact CD2-CG 4.21Å; L91-I102 HydrophobicContact CD1-CD1 3.58Å; L91-I102 HydrophobicContact CD2-CD1 4.35Å; L91-R451 CarbonylContact C-O 3.6Å; L91-R451 HydrophobicContact CB-CB 3.79Å; L91-R451 HydrophobicContact CD2-CB 3.91Å |
| 92 | S | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -73.4 | -15.5 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 113.3 | D90 N391 R451 Y452 G454 Q455 | D90-S92 PolarHBondContact O-N 3.21Å; S92-N391 WeakPolarHBondContact CB-O 3.47Å; S92-R451 VanDerWaalsContact CA-O 3.25Å; S92-R451 WeakPolarHBondContact CA-O 3.05Å; S92-R451 PolarHBondContact N-O 2.86Å; S92-R451 VanDerWaalsContact N-O 3.08Å; S92-R451 PolarHBondContact OG-O 3.4Å; S92-Y452 WeakPolarHBondContact OG-CA 3.45Å; S92-G454 VanDerWaalsContact OG-CA 3.31Å; S92-G454 WeakPolarHBondContact OG-CA 3.43Å; S92-G454 PolarHBondContact OG-N 2.94Å; S92-Q455 PolarHBondContact OG-N 3.36Å |
| 93 | A | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.9 | -13.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D90 L91 Y95 N391 A393 T396 | D90-A93 PolarHBondContact O-N 3.1Å; D90-A93 VanDerWaalsContact O-N 3.12Å; L91-A93 PolarHBondContact O-N 3.34Å; A93-Y95 PolarHBondContact O-N 2.92Å; A93-N391 WeakPolarHBondContact CB-OD1 3.41Å; A93-A393 HydrophobicContact CB-CB 4.02Å; A93-T396 HydrophobicContact CB-CG2 4.02Å |
| 94 | Q | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -91.9 | 91.1 | 176.3 | -143.5 | -62.7 | 34.6 | 0 | 0 | 109.1 | V64 D90 Y96 L97 S110 | V64-Q94 HydrophobicContact CB-CG 4.2Å; V64-Q94 HydrophobicContact CG1-CG 3.83Å; D90-Q94 VanDerWaalsContact O-CB 3.24Å; D90-Q94 WeakPolarHBondContact O-CB 3.47Å; D90-Q94 PolarHBondContact O-N 3.25Å; Q94-Y96 PolarHBondContact O-N 3.26Å; Q94-L97 HydrophobicContact CB-CD1 3.92Å; Q94-L97 HydrophobicContact CB-CG 4.19Å; Q94-L97 HydrophobicContact CG-CD1 3.78Å; Q94-L97 HydrophobicContact CG-CG 3.99Å; Q94-L97 PolarHBondContact O-N 2.84Å; Q94-S110 PolarHBondContact NE2-OG 3.37Å | ||
| 95 | Y | 96.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.2 | -173.6 | 47.4 | -96.2 | 0 | 0 | 0 | 115.6 | V64 E65 K68 A93 K486 F518 F540 | V64-Y95 HydrophobicContact CG1-CD1 4.37Å; V64-Y95 HydrophobicContact CG1-CE1 3.79Å; V64-Y95 HydrophobicContact CG2-CE2 4.12Å; V64-Y95 PolarHBondContact O-OH 3.43Å; E65-Y95 WeakPolarHBondContact CA-OH 3.3Å; E65-Y95 WeakPolarHBondContact OE2-CE1 3.33Å; K68-Y95 WeakPolarHBondContact CB-OH 3.25Å; K68-Y95 WeakPolarHBondContact CD-OH 3.33Å; A93-Y95 PolarHBondContact O-N 2.92Å; Y95-K486 HydrophobicContact CD1-CD 3.6Å; Y95-K486 HydrophobicContact CD1-CG 3.96Å; Y95-K486 HydrophobicContact CD2-CD 4.24Å; Y95-K486 HydrophobicContact CE1-CD 3.68Å; Y95-K486 HydrophobicContact CE2-CD 4.32Å; Y95-K486 HydrophobicContact CG-CD 3.9Å; Y95-K486 HydrophobicContact CG-CG 3.96Å; Y95-F518 HydrophobicContact CD2-CE2 4.49Å; Y95-F518 HydrophobicContact CE2-CE2 4.33Å; Y95-F540 HydrophobicContact CD2-CE1 4.5Å; Y95-F540 HydrophobicContact CD2-CZ 4.49Å; Y95-F540 WeakPolarHBondContact O-CD1 3.48Å |
| 96 | Y | 97.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 3.8 | 171.8 | -68.2 | -29.8 | 0 | 0 | 0 | 113.7 | V64 Q94 L113 L114 L117 F540 | V64-Y96 HydrophobicContact CG2-CD2 3.61Å; V64-Y96 HydrophobicContact CG2-CE2 4.22Å; V64-Y96 HydrophobicContact CG2-CG 4.43Å; Q94-Y96 PolarHBondContact O-N 3.26Å; Y96-L113 HydrophobicContact CD1-CB 3.78Å; Y96-L113 HydrophobicContact CD1-CD1 3.65Å; Y96-L113 HydrophobicContact CD1-CG 4.23Å; Y96-L113 HydrophobicContact CD2-CB 4.05Å; Y96-L113 HydrophobicContact CE1-CB 3.95Å; Y96-L113 HydrophobicContact CE1-CD1 4.45Å; Y96-L113 HydrophobicContact CE2-CB 4.23Å; Y96-L113 HydrophobicContact CG-CB 3.83Å; Y96-L113 HydrophobicContact CG-CD1 3.87Å; Y96-L113 HydrophobicContact CG-CG 4.49Å; Y96-L114 HydrophobicContact CD2-CD2 4.11Å; Y96-L114 HydrophobicContact CD2-CG 4.02Å; Y96-L114 HydrophobicContact CE2-CD2 3.68Å; Y96-L114 HydrophobicContact CE2-CG 3.94Å; Y96-L117 WeakPolarHBondContact OH-CD2 3.45Å; Y96-F540 HydrophobicContact CD1-CE1 4.19Å; Y96-F540 HydrophobicContact CE1-CE1 4.03Å |
| 97 | L | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -102.9 | 140.7 | 167.4 | -58.9 | 176.2 | 0 | 0 | 0 | 109.9 | A86 D90 L91 Q94 R106 Q109 | A86-L97 HydrophobicContact CB-CD1 3.85Å; D90-L97 HydrophobicContact CB-CD1 4.01Å; L91-L97 HydrophobicContact CD1-CB 4Å; L91-L97 HydrophobicContact CG-CB 4.37Å; Q94-L97 HydrophobicContact CB-CD1 3.92Å; Q94-L97 HydrophobicContact CB-CG 4.19Å; Q94-L97 HydrophobicContact CG-CD1 3.78Å; Q94-L97 HydrophobicContact CG-CG 3.99Å; Q94-L97 PolarHBondContact O-N 2.84Å; L97-R106 HydrophobicContact CD1-CB 4.43Å; L97-R106 HydrophobicContact CD1-CG 3.96Å; L97-Q109 HydrophobicContact CD2-CB 3.7Å | ||
| 98 | D | 95.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 32 Ų | 32 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | trans | -119 | -180 | 174.7 | 69.8 | -8.7 | 0 | 0 | 0 | 110.7 | S100 S101 | D98-S100 PolarHBondContact O-N 3.46Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.02Å; D98-S100 WeakPolarHBondContact OD2-CB 3.35Å; D98-S100 PolarHBondContact OD2-OG 3.44Å; D98-S101 PolarHBondContact N-OG 3.37Å; D98-S101 VanDerWaalsContact O-CB 3.29Å; D98-S101 WeakPolarHBondContact O-CB 3.42Å; D98-S101 PolarHBondContact O-N 2.77Å; D98-S101 VanDerWaalsContact O-N 3.08Å; D98-S101 WeakPolarHBondContact OD1-CB 3.4Å; D98-S101 PolarHBondContact OD1-N 2.79Å; D98-S101 PolarHBondContact OD1-OG 2.87Å | ||
| 99 | E | 95.7 | Very high | 97.3 | Very high | 108 Ų | 108 | 31.4 Ų | 31.4 | 51% | 0.505 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -62.4 | -28 | 178.1 | -68.6 | 155.4 | -173.6 | 0 | 0 | 112 | W88 L91 S101 I102 | W88-E99 HydrophobicContact CH2-CB 4.39Å; W88-E99 HydrophobicContact CH2-CG 4.04Å; W88-E99 HydrophobicContact CZ3-CG 3.84Å; L91-E99 HydrophobicContact CD2-CG 4.21Å; E99-S101 VanDerWaalsContact C-N 3.26Å; E99-S101 PolarHBondContact O-N 3.33Å; E99-I102 WeakPolarHBondContact O-CG1 3.16Å |
| 100 | S | 96.2 | Very high | 97.3 | Very high | 68 Ų | 68 | 29.1 Ų | 29.1 | 48% | 0.476 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -75.2 | -16.1 | 177.5 | 90.5 | 0 | 0 | 0 | 0 | 113.3 | D98 K104 | D98-S100 PolarHBondContact O-N 3.46Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.02Å; D98-S100 WeakPolarHBondContact OD2-CB 3.35Å; D98-S100 PolarHBondContact OD2-OG 3.44Å; S100-K104 VanDerWaalsContact O-CE 3.26Å; S100-K104 WeakPolarHBondContact O-CE 3.4Å; S100-K104 PolarHBondContact O-NZ 3.45Å |
| 101 | S | 97.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -80.2 | -18.9 | 179.1 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | A86 D98 E99 G103 K104 | A86-S101 WeakPolarHBondContact CB-O 3.25Å; D98-S101 PolarHBondContact N-OG 3.37Å; D98-S101 VanDerWaalsContact O-CB 3.29Å; D98-S101 WeakPolarHBondContact O-CB 3.42Å; D98-S101 PolarHBondContact O-N 2.77Å; D98-S101 VanDerWaalsContact O-N 3.08Å; D98-S101 WeakPolarHBondContact OD1-CB 3.4Å; D98-S101 PolarHBondContact OD1-N 2.79Å; D98-S101 PolarHBondContact OD1-OG 2.87Å; E99-S101 VanDerWaalsContact C-N 3.26Å; E99-S101 PolarHBondContact O-N 3.33Å; S101-G103 PolarHBondContact O-N 3.17Å; S101-K104 VanDerWaalsContact O-CB 3.3Å; S101-K104 WeakPolarHBondContact O-CB 3.49Å; S101-K104 PolarHBondContact O-N 3.48Å |
| 102 | I | 97.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 31.5 Ų | 31.5 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127.3 | -176.8 | -59.2 | -63.5 | 0 | 0 | 0 | 111 | Q87 W88 L91 E99 K104 | Q87-I102 VanDerWaalsContact C-CD1 3.43Å; W88-I102 HydrophobicContact CD2-CD1 4.09Å; W88-I102 HydrophobicContact CD2-CG1 4.32Å; W88-I102 HydrophobicContact CE3-CD1 4.27Å; W88-I102 HydrophobicContact CE3-CG1 4.5Å; W88-I102 HydrophobicContact CG-CD1 4.29Å; W88-I102 HydrophobicContact CZ2-CG1 4.42Å; L91-I102 HydrophobicContact CD1-CD1 3.58Å; L91-I102 HydrophobicContact CD2-CD1 4.35Å; E99-I102 WeakPolarHBondContact O-CG1 3.16Å; I102-K104 VanDerWaalsContact C-N 3.31Å; I102-K104 PolarHBondContact O-N 2.99Å |
| 103 | G | 97.8 | Very high | 97 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 50% | 0.495 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -5.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | N85 A86 S101 | N85-G103 PolarHBondContact ND2-O 3.44Å; N85-G103 VanDerWaalsContact ND2-O 3.14Å; A86-G103 PolarHBondContact O-N 3.14Å; S101-G103 PolarHBondContact O-N 3.17Å |
| 104 | K | 98.3 | Very high | 97 | Very high | 91 Ų | 91 | 34.1 Ų | 34.1 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -99.1 | 160.3 | 173.2 | -56.2 | 173.4 | -175.5 | 157.3 | 0 | 111.1 | N85 A86 S100 S101 I102 Q109 | N85-K104 CarbonylContact C-O 3.58Å; N85-K104 WeakPolarHBondContact CA-O 3.31Å; A86-K104 PolarHBondContact N-O 3.48Å; S100-K104 VanDerWaalsContact O-CE 3.26Å; S100-K104 WeakPolarHBondContact O-CE 3.4Å; S100-K104 PolarHBondContact O-NZ 3.45Å; S101-K104 VanDerWaalsContact O-CB 3.3Å; S101-K104 WeakPolarHBondContact O-CB 3.49Å; S101-K104 PolarHBondContact O-N 3.48Å; I102-K104 VanDerWaalsContact C-N 3.31Å; I102-K104 PolarHBondContact O-N 2.99Å; K104-Q109 HydrophobicContact CB-CG 3.83Å; K104-Q109 HydrophobicContact CD-CG 4.28Å |
| 105 | N | 98.2 | Very high | 96.9 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 132.1 | -177.9 | -179.3 | -85.8 | 0 | 0 | 0 | 112.4 | D82 K84 N85 A107 V108 Q109 I127 | D82-N105 PolarHBondContact O-ND2 2.89Å; K84-N105 PolarHBondContact O-ND2 3.46Å; N85-N105 WeakPolarHBondContact OD1-CA 3.34Å; N85-N105 PolarHBondContact OD1-N 3.3Å; N105-A107 PolarHBondContact O-N 3.44Å; N105-A107 WeakPolarHBondContact OD1-CB 3.46Å; N105-A107 PolarHBondContact OD1-N 3.24Å; N105-V108 HydrophobicContact CB-CB 4.22Å; N105-V108 HydrophobicContact CB-CG2 3.95Å; N105-V108 PolarHBondContact O-N 2.93Å; N105-V108 PolarHBondContact OD1-N 2.7Å; N105-V108 VanDerWaalsContact OD1-N 3.14Å; N105-Q109 WeakPolarHBondContact O-CG 3.44Å; N105-Q109 PolarHBondContact O-N 3.42Å; N105-Q109 VanDerWaalsContact O-N 3.08Å; N105-I127 HydrophobicContact CB-CG2 4.49Å; N105-I127 WeakPolarHBondContact OD1-CG2 3.43Å |
| 106 | R | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.011 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | -174.9 | -62.9 | -172.2 | -62.1 | -178.3 | 10.3 | 113.3 | D82 K84 A86 D90 L97 Q109 S110 E165 | D82-R106 IonicContact OD1-NE 3.72Å; D82-R106 IonicContact OD1-NH2 2.67Å; D82-R106 PolarHBondContact OD1-NH2 3.39Å; D82-R106 IonicContact OD2-CZ 3.08Å; D82-R106 IonicContact OD2-NE 3.65Å; D82-R106 PolarHBondContact OD2-NE 3.27Å; D82-R106 IonicContact OD2-NH2 2.74Å; D82-R106 PolarHBondContact OD2-NH2 2.96Å; K84-R106 PolarHBondContact O-N 3.12Å; A86-R106 HydrophobicContact CB-CG 4.05Å; D90-R106 IonicContact OD1-NH1 2.76Å; D90-R106 PolarHBondContact OD1-NH1 3.08Å; L97-R106 HydrophobicContact CD1-CB 4.43Å; L97-R106 HydrophobicContact CD1-CG 3.96Å; R106-Q109 PolarHBondContact O-N 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.29Å; R106-S110 PolarHBondContact O-N 3.04Å; R106-S110 VanDerWaalsContact O-N 3.13Å; R106-S110 PolarHBondContact O-OG 3.34Å; R106-E165 IonicContact CZ-OE1 2.64Å; R106-E165 IonicContact CZ-OE2 3.77Å; R106-E165 IonicContact NH1-OE1 2.77Å; R106-E165 PolarHBondContact NH1-OE1 2.99Å; R106-E165 IonicContact NH1-OE2 2.98Å; R106-E165 PolarHBondContact NH1-OE2 3.01Å; R106-E165 IonicContact NH2-OE1 3.9Å; R106-E165 IonicContact NH2-OE2 2.87Å; R106-E165 PolarHBondContact NH2-OE2 3.27Å |
| 107 | A | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I59 I80 D82 N105 Q109 S110 L111 | I59-A107 HydrophobicContact CG1-CB 4.34Å; I80-A107 HydrophobicContact CD1-CB 4.2Å; I80-A107 VanDerWaalsContact CD1-O 3.32Å; I80-A107 WeakPolarHBondContact CD1-O 3.16Å; I80-A107 HydrophobicContact CG1-CB 4.26Å; D82-A107 HydrophobicContact CB-CB 3.82Å; N105-A107 PolarHBondContact O-N 3.44Å; N105-A107 WeakPolarHBondContact OD1-CB 3.46Å; N105-A107 PolarHBondContact OD1-N 3.24Å; A107-Q109 PolarHBondContact O-N 3.28Å; A107-S110 PolarHBondContact O-N 3.2Å; A107-L111 PolarHBondContact O-N 2.78Å |
| 108 | V | 97.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 33% | 0.333 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | N105 S110 Y125 I127 | N105-V108 HydrophobicContact CB-CB 4.22Å; N105-V108 HydrophobicContact CB-CG2 3.95Å; N105-V108 PolarHBondContact O-N 2.93Å; N105-V108 PolarHBondContact OD1-N 2.7Å; N105-V108 VanDerWaalsContact OD1-N 3.14Å; V108-S110 VanDerWaalsContact C-N 3.28Å; V108-S110 PolarHBondContact O-N 3.06Å; V108-Y125 HydrophobicContact CG2-CD2 3.91Å; V108-Y125 HydrophobicContact CG2-CE2 3.62Å; V108-I127 HydrophobicContact CG2-CG2 3.9Å |
| 109 | Q | 97.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 46 Ų | 46 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.2 | -26.2 | 180 | -65 | -53 | -95.5 | 0 | 0 | 113.1 | L97 K104 N105 R106 A107 | L97-Q109 HydrophobicContact CD2-CB 3.7Å; K104-Q109 HydrophobicContact CB-CG 3.83Å; K104-Q109 HydrophobicContact CD-CG 4.28Å; N105-Q109 WeakPolarHBondContact O-CG 3.44Å; N105-Q109 PolarHBondContact O-N 3.42Å; N105-Q109 VanDerWaalsContact O-N 3.08Å; R106-Q109 PolarHBondContact O-N 3.24Å; A107-Q109 PolarHBondContact O-N 3.28Å |
| 110 | S | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -87.5 | -15.2 | -177.8 | -51.5 | 0 | 0 | 0 | 0 | 114.1 | Q94 R106 A107 V108 G112 L113 L114 | Q94-S110 PolarHBondContact NE2-OG 3.37Å; R106-S110 WeakPolarHBondContact O-CB 3.29Å; R106-S110 PolarHBondContact O-N 3.04Å; R106-S110 VanDerWaalsContact O-N 3.13Å; R106-S110 PolarHBondContact O-OG 3.34Å; A107-S110 PolarHBondContact O-N 3.2Å; V108-S110 VanDerWaalsContact C-N 3.28Å; V108-S110 PolarHBondContact O-N 3.06Å; S110-G112 PolarHBondContact O-N 3.05Å; S110-L113 PolarHBondContact O-N 2.82Å; S110-L114 WeakPolarHBondContact O-CB 3.43Å; S110-L114 WeakPolarHBondContact O-CG 3.42Å; S110-L114 PolarHBondContact O-N 3.18Å; S110-L114 VanDerWaalsContact O-N 3.1Å |
| 111 | L | 96.5 | Very high | 96.3 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -56.1 | -168 | 179.1 | 67 | 0 | 0 | 0 | 112.8 | I80 A107 L113 L114 E115 V123 Y125 | I80-L111 HydrophobicContact CD1-CD1 4.49Å; A107-L111 PolarHBondContact O-N 2.78Å; L111-L113 PolarHBondContact O-N 2.97Å; L111-L114 PolarHBondContact O-N 3.18Å; L111-E115 HydrophobicContact CD1-CG 4.2Å; L111-E115 HydrophobicContact CG-CG 4.41Å; L111-E115 WeakPolarHBondContact O-CG 3.37Å; L111-E115 PolarHBondContact O-N 3.25Å; L111-V123 HydrophobicContact CD1-CB 4.26Å; L111-V123 HydrophobicContact CD1-CG1 3.88Å; L111-Y125 HydrophobicContact CD1-CD1 4.33Å; L111-Y125 HydrophobicContact CD2-CD1 3.54Å; L111-Y125 HydrophobicContact CD2-CE1 3.87Å; L111-Y125 HydrophobicContact CG-CD1 4.45Å |
| 112 | G | 95 | Very high | 96.1 | Very high | 34 Ų | 34 | 44 Ų | 44 | 35% | 0.351 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61 | -43.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S110 L114 E115 E116 | S110-G112 PolarHBondContact O-N 3.05Å; G112-L114 VanDerWaalsContact C-N 3.31Å; G112-L114 PolarHBondContact O-N 2.94Å; G112-E115 PolarHBondContact O-N 2.65Å; G112-E116 WeakPolarHBondContact O-CG 3.39Å; G112-E116 PolarHBondContact O-N 3.35Å; G112-E116 VanDerWaalsContact O-N 3.1Å |
| 113 | L | 96.1 | Very high | 96 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.7 | -32.4 | 179.5 | -67.7 | 169.6 | 0 | 0 | 0 | 112.7 | Y96 S110 L111 | Y96-L113 HydrophobicContact CD1-CB 3.78Å; Y96-L113 HydrophobicContact CD1-CD1 3.65Å; Y96-L113 HydrophobicContact CD1-CG 4.23Å; Y96-L113 HydrophobicContact CD2-CB 4.05Å; Y96-L113 HydrophobicContact CE1-CB 3.95Å; Y96-L113 HydrophobicContact CE1-CD1 4.45Å; Y96-L113 HydrophobicContact CE2-CB 4.23Å; Y96-L113 HydrophobicContact CG-CB 3.83Å; Y96-L113 HydrophobicContact CG-CD1 3.87Å; Y96-L113 HydrophobicContact CG-CG 4.49Å; S110-L113 PolarHBondContact O-N 2.82Å; L111-L113 PolarHBondContact O-N 2.97Å |
| 114 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.3 | -38.4 | 174 | -75.5 | 166.8 | 0 | 0 | 0 | 112 | V64 A67 I71 I80 Y96 S110 L111 G112 E116 L117 V123 | V64-L114 HydrophobicContact CG2-CD2 4.4Å; A67-L114 HydrophobicContact CB-CD1 4.25Å; A67-L114 HydrophobicContact CB-CD2 3.93Å; I71-L114 HydrophobicContact CD1-CB 3.8Å; I71-L114 HydrophobicContact CD1-CD2 3.79Å; I71-L114 HydrophobicContact CD1-CG 4.31Å; I80-L114 HydrophobicContact CD1-CD1 3.82Å; I80-L114 HydrophobicContact CG2-CD1 4.15Å; Y96-L114 HydrophobicContact CD2-CD2 4.11Å; Y96-L114 HydrophobicContact CD2-CG 4.02Å; Y96-L114 HydrophobicContact CE2-CD2 3.68Å; Y96-L114 HydrophobicContact CE2-CG 3.94Å; S110-L114 WeakPolarHBondContact O-CB 3.43Å; S110-L114 WeakPolarHBondContact O-CG 3.42Å; S110-L114 PolarHBondContact O-N 3.18Å; S110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 PolarHBondContact O-N 3.18Å; G112-L114 VanDerWaalsContact C-N 3.31Å; G112-L114 PolarHBondContact O-N 2.94Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.95Å; L114-L117 HydrophobicContact CD2-CD1 4.1Å; L114-L117 WeakPolarHBondContact O-CB 3.16Å; L114-L117 PolarHBondContact O-N 3.36Å; L114-V123 HydrophobicContact CB-CG1 4.35Å |
| 115 | E | 96.2 | Very high | 95.6 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.8 | -76.8 | 176.4 | 160.3 | 0 | 0 | 111.9 | L111 G112 L117 N118 V123 | L111-E115 HydrophobicContact CD1-CG 4.2Å; L111-E115 HydrophobicContact CG-CG 4.41Å; L111-E115 WeakPolarHBondContact O-CG 3.37Å; L111-E115 PolarHBondContact O-N 3.25Å; G112-E115 PolarHBondContact O-N 2.65Å; E115-L117 PolarHBondContact O-N 2.78Å; E115-N118 PolarHBondContact O-N 3.44Å; E115-V123 HydrophobicContact CG-CB 3.64Å; E115-V123 HydrophobicContact CG-CG2 4Å |
| 116 | E | 95.7 | Very high | 95.2 | Very high | 100 Ų | 100 | 41.2 Ų | 41.2 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.2 | -179 | -73.3 | 175.6 | -164.5 | 0 | 0 | 114.9 | G112 L114 N118 R521 | G112-E116 WeakPolarHBondContact O-CG 3.39Å; G112-E116 PolarHBondContact O-N 3.35Å; G112-E116 VanDerWaalsContact O-N 3.1Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.95Å; E116-N118 VanDerWaalsContact C-N 3.29Å; E116-N118 PolarHBondContact O-N 2.8Å; E116-R521 WeakPolarHBondContact O-CD 3.27Å; E116-R521 IonicContact OE2-NE 3.77Å; E116-R521 PolarHBondContact OE2-NE 3.08Å; E116-R521 IonicContact OE2-NH2 3.38Å |
| 117 | L | 96.1 | Very high | 95 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -34.7 | -179.2 | -71.1 | 178.5 | 0 | 0 | 0 | 112.3 | K68 I71 L72 Y96 L114 E115 F518 | K68-L117 HydrophobicContact CB-CD1 4.11Å; K68-L117 HydrophobicContact CG-CD1 3.81Å; I71-L117 HydrophobicContact CG2-CB 3.76Å; I71-L117 HydrophobicContact CG2-CD1 4.44Å; L72-L117 HydrophobicContact CD2-CB 4.28Å; L72-L117 HydrophobicContact CD2-CD2 4.45Å; Y96-L117 WeakPolarHBondContact OH-CD2 3.45Å; L114-L117 HydrophobicContact CD2-CD1 4.1Å; L114-L117 WeakPolarHBondContact O-CB 3.16Å; L114-L117 PolarHBondContact O-N 3.36Å; E115-L117 PolarHBondContact O-N 2.78Å; L117-F518 HydrophobicContact CD2-CB 3.95Å; L117-F518 HydrophobicContact CD2-CD2 4.17Å |
| 118 | N | 94.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | trans | -159.9 | 100.9 | -175 | -167.5 | -17.5 | 0 | 0 | 0 | 112.1 | Y34 I71 E115 E116 S120 V121 | Y34-N118 PolarHBondContact OH-ND2 3.42Å; I71-N118 HydrophobicContact CG2-CB 3.73Å; I71-N118 PolarHBondContact O-ND2 3.4Å; E115-N118 PolarHBondContact O-N 3.44Å; E116-N118 VanDerWaalsContact C-N 3.29Å; E116-N118 PolarHBondContact O-N 2.8Å; N118-S120 PolarHBondContact O-N 3.45Å; N118-S120 VanDerWaalsContact OD1-CB 3.3Å; N118-S120 WeakPolarHBondContact OD1-CB 3.49Å; N118-S120 PolarHBondContact OD1-N 2.98Å; N118-S120 VanDerWaalsContact OD1-N 3.1Å; N118-V121 HydrophobicContact CB-CB 4.45Å; N118-V121 HydrophobicContact CB-CG2 4.02Å; N118-V121 PolarHBondContact O-N 3.18Å | ||
| 119 | D | 92 | Very high | 94.3 | Very high | 128 Ų | 128 | 52.1 Ų | 52.1 | 68% | 0.684 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -19.9 | 178.1 | -58.4 | -26.3 | 0 | 0 | 0 | 114 | V121 | D119-V121 VanDerWaalsContact C-N 3.33Š|
| 120 | S | 91.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 51 Ų | 51 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.1 | 178 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | R50 N118 | R50-S120 VanDerWaalsContact CZ-O 3.3Å; R50-S120 PolarHBondContact NH1-O 2.99Å; R50-S120 PolarHBondContact NH2-O 3.27Å; N118-S120 PolarHBondContact O-N 3.45Å; N118-S120 VanDerWaalsContact OD1-CB 3.3Å; N118-S120 WeakPolarHBondContact OD1-CB 3.49Å; N118-S120 PolarHBondContact OD1-N 2.98Å; N118-S120 VanDerWaalsContact OD1-N 3.1Å |
| 121 | V | 94.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -111.7 | 127.3 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | I71 V75 V78 N118 D119 V123 | I71-V121 HydrophobicContact CG1-CG1 4.22Å; I71-V121 HydrophobicContact CG2-CB 4.14Å; I71-V121 HydrophobicContact CG2-CG1 4.33Å; I71-V121 HydrophobicContact CG2-CG2 4.37Å; I71-V121 WeakPolarHBondContact O-CG2 3.36Å; V75-V121 HydrophobicContact CG2-CG1 4.09Å; V75-V121 WeakPolarHBondContact O-CG1 3.02Å; V75-V121 WeakPolarHBondContact O-CG2 3.49Å; V78-V121 HydrophobicContact CG2-CG1 4.4Å; N118-V121 HydrophobicContact CB-CB 4.45Å; N118-V121 HydrophobicContact CB-CG2 4.02Å; N118-V121 PolarHBondContact O-N 3.18Å; D119-V121 VanDerWaalsContact C-N 3.33Å; V121-V123 PolarHBondContact O-N 2.99Å |
| 122 | T | 94.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122 | 171.6 | -55.7 | 0 | 0 | 0 | 0 | 109.4 | R76 Q77 V78 | R76-T122 PolarHBondContact O-N 3.2Å; R76-T122 VanDerWaalsContact O-N 3.12Å; Q77-T122 CarbonylContact C-O 3.48Å; Q77-T122 WeakPolarHBondContact CA-O 3.23Å; Q77-T122 HydrophobicContact CG-CG2 4.32Å; Q77-T122 VanDerWaalsContact CG-O 3.3Å; Q77-T122 WeakPolarHBondContact CG-O 3.18Å; V78-T122 PolarHBondContact N-O 2.87Å |
| 123 | V | 95.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.1 | 171.1 | -167.1 | 0 | 0 | 0 | 0 | 108.3 | I71 V78 L111 L114 E115 V121 | I71-V123 HydrophobicContact CD1-CG1 4.4Å; I71-V123 HydrophobicContact CD1-CG2 3.73Å; I71-V123 HydrophobicContact CG1-CG2 4.13Å; V78-V123 CarbonylContact O-C 3.5Å; V78-V123 VanDerWaalsContact O-CA 3.28Å; V78-V123 WeakPolarHBondContact O-CA 3.4Å; L111-V123 HydrophobicContact CD1-CB 4.26Å; L111-V123 HydrophobicContact CD1-CG1 3.88Å; L114-V123 HydrophobicContact CB-CG1 4.35Å; E115-V123 HydrophobicContact CG-CB 3.64Å; E115-V123 HydrophobicContact CG-CG2 4Å; V121-V123 PolarHBondContact O-N 2.99Å |
| 124 | N | 93.4 | Very high | 91.2 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 165.1 | 175.5 | -74.4 | -52.7 | 0 | 0 | 0 | 109.2 | Q77 V78 T79 I80 M156 | Q77-N124 PolarHBondContact NE2-ND2 3.44Å; V78-N124 PolarHBondContact O-N 2.97Å; T79-N124 CarbonylContact C-O 3.59Å; T79-N124 VanDerWaalsContact CA-O 3.31Å; T79-N124 WeakPolarHBondContact CA-O 3.47Å; T79-N124 HydrophobicContact CG2-CB 4.28Å; I80-N124 VanDerWaalsContact CG1-O 3.31Å; I80-N124 WeakPolarHBondContact CG1-O 3.45Å; I80-N124 PolarHBondContact N-O 3.5Å; N124-M156 HydrophobicContact CB-CE 3.88Å; N124-M156 HydrophobicContact CB-SD 4.41Å; N124-M156 VanDerWaalsContact ND2-CE 3.29Å; N124-M156 WeakPolarHBondContact ND2-CE 3.34Å |
| 125 | Y | 93 | Very high | 90.4 | Very high | 94 Ų | 94 | 55.8 Ų | 55.8 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 157.8 | 174.1 | 78.2 | -80 | 0 | 0 | 0 | 113.7 | I80 V108 L111 I127 | I80-Y125 CarbonylContact O-C 3.54Å; I80-Y125 WeakPolarHBondContact O-CA 3.39Å; V108-Y125 HydrophobicContact CG2-CD2 3.91Å; V108-Y125 HydrophobicContact CG2-CE2 3.62Å; L111-Y125 HydrophobicContact CD1-CD1 4.33Å; L111-Y125 HydrophobicContact CD2-CD1 3.54Å; L111-Y125 HydrophobicContact CD2-CE1 3.87Å; L111-Y125 HydrophobicContact CG-CD1 4.45Å; Y125-I127 HydrophobicContact CD2-CG2 4.06Å; Y125-I127 HydrophobicContact CE2-CG2 4.16Å |
| 126 | S | 91.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137 | 168.4 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | I80 H81 D82 R128 | I80-S126 PolarHBondContact O-N 3.32Å; H81-S126 VanDerWaalsContact CA-O 3.27Å; H81-S126 WeakPolarHBondContact CA-O 3.29Å; H81-S126 PolarHBondContact CD2-O 3.44Å; D82-S126 PolarHBondContact N-O 3.41Å; D82-S126 VanDerWaalsContact N-O 3.1Å; S126-R128 PolarHBondContact OG-N 3.34Å |
| 127 | I | 93.2 | Very high | 87.8 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 45% | 0.451 | 27% | 0.27 | S | S | . | . | trans | -110.5 | -1 | 172.6 | 64 | 172.9 | 0 | 0 | 0 | 112.6 | C83 N105 V108 Y125 | C83-I127 PolarHBondContact SG-O 3.08Å; C83-I127 VanDerWaalsContact SG-O 3.4Å; N105-I127 HydrophobicContact CB-CG2 4.49Å; N105-I127 WeakPolarHBondContact OD1-CG2 3.43Å; V108-I127 HydrophobicContact CG2-CG2 3.9Å; Y125-I127 HydrophobicContact CD2-CG2 4.06Å; Y125-I127 HydrophobicContact CE2-CG2 4.16Å | ||
| 128 | R | 90.1 | Very high | 85.5 | Confident | 103 Ų | 103 | 56.6 Ų | 56.6 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -73.5 | 141.6 | 178.8 | -66.7 | -176.7 | -64.9 | 166.4 | -0.2 | 109.4 | H81 S126 L130 I134 E137 Y153 | H81-R128 PolarHBondContact CD2-O 3Å; H81-R128 VanDerWaalsContact CD2-O 3.24Å; H81-R128 PolarHBondContact NE2-O 3.23Å; S126-R128 PolarHBondContact OG-N 3.34Å; R128-L130 PolarHBondContact O-N 3.39Å; R128-I134 HydrophobicContact CB-CD1 3.76Å; R128-I134 WeakPolarHBondContact O-CD1 3.31Å; R128-E137 IonicContact CZ-OE1 3.19Å; R128-E137 IonicContact NH2-OE1 2.83Å; R128-E137 PolarHBondContact NH2-OE1 3.34Å; R128-Y153 PolarHBondContact NH2-OH 3.09Å |
| 129 | P | 89.2 | Confident | 82.9 | Confident | 96 Ų | 96 | 60 Ų | 60 | 62% | 0.623 | 31% | 0.307 | S | S | * | . | trans | -49.4 | 132.2 | 177.2 | -26.9 | 34.2 | 0 | 0 | 0 | 112.3 | N131 I134 | P129-N131 PolarHBondContact O-N 2.62Å; P129-I134 VanDerWaalsContact O-CD1 3.27Å; P129-I134 WeakPolarHBondContact O-CD1 3.47Å | ||
| 130 | L | 88.4 | Confident | 80.3 | Confident | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | trans | -61.2 | 111.2 | 179 | -169.6 | 67.8 | 0 | 0 | 0 | 110 | L55 H81 R128 I134 I135 V163 M166 V174 | L55-L130 HydrophobicContact CD2-CD1 3.73Å; H81-L130 PolarHBondContact NE2-N 3.09Å; R128-L130 PolarHBondContact O-N 3.39Å; L130-I134 HydrophobicContact CD1-CB 4.46Å; L130-I134 HydrophobicContact CD1-CG2 4.07Å; L130-I135 HydrophobicContact CD1-CG1 4.23Å; L130-V163 HydrophobicContact CD2-CG1 4.23Å; L130-M166 HydrophobicContact CD2-CE 3.96Å; L130-V174 HydrophobicContact CD2-CG1 4.22Å; L130-V174 HydrophobicContact CD2-CG2 3.79Å | ||
| 131 | N | 85.4 | Confident | 77.8 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | trans | -135.7 | 177.7 | -179 | 69.1 | 10.8 | 0 | 0 | 0 | 110.5 | P129 D133 I134 I135 | P129-N131 PolarHBondContact O-N 2.62Å; N131-D133 PolarHBondContact O-N 2.89Å; N131-D133 WeakPolarHBondContact OD1-CB 3.24Å; N131-D133 PolarHBondContact OD1-N 3.03Å; N131-D133 VanDerWaalsContact OD1-N 3.14Å; N131-I134 PolarHBondContact O-N 2.88Å; N131-I134 PolarHBondContact OD1-N 3.01Å; N131-I135 WeakPolarHBondContact O-CG1 3.19Å; N131-I135 PolarHBondContact O-N 2.91Å; N131-I135 VanDerWaalsContact O-N 3.1Å | ||
| 132 | E | 81.8 | Confident | 74.9 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -30.3 | -178.5 | -172.1 | 163.8 | -158.8 | 0 | 0 | 112.8 | I135 R136 M177 R180 | E132-I135 PolarHBondContact O-N 2.82Å; E132-R136 VanDerWaalsContact CD-CZ 3.47Å; E132-R136 HydrophobicContact CG-CG 4.07Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.31Å; E132-R136 WeakPolarHBondContact O-CG 3.3Å; E132-R136 PolarHBondContact O-N 3.08Å; E132-R136 IonicContact OE1-CZ 2.76Å; E132-R136 IonicContact OE1-NE 2.68Å; E132-R136 PolarHBondContact OE1-NE 3.21Å; E132-R136 IonicContact OE1-NH1 2.87Å; E132-R136 PolarHBondContact OE1-NH1 3.25Å; E132-R136 IonicContact OE1-NH2 2.87Å; E132-R136 PolarHBondContact OE1-NH2 3.29Å; E132-R136 IonicContact OE2-NH1 2.82Å; E132-M177 HydrophobicContact CB-SD 4.13Å; E132-R180 IonicContact OE1-CZ 3.02Å; E132-R180 IonicContact OE1-NE 3.53Å; E132-R180 PolarHBondContact OE1-NE 2.8Å; E132-R180 IonicContact OE1-NH2 2.64Å; E132-R180 PolarHBondContact OE1-NH2 3.18Å; E132-R180 IonicContact OE2-NH2 3.65Å; E132-R180 PolarHBondContact OE2-NH2 3.29Å |
| 133 | D | 80.2 | Confident | 72.1 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 57% | 0.572 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66 | -46.2 | 178.8 | -60.1 | -36.3 | 0 | 0 | 0 | 111.7 | N131 I135 R136 E137 | N131-D133 PolarHBondContact O-N 2.89Å; N131-D133 WeakPolarHBondContact OD1-CB 3.24Å; N131-D133 PolarHBondContact OD1-N 3.03Å; N131-D133 VanDerWaalsContact OD1-N 3.14Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.22Å; D133-R136 PolarHBondContact O-N 2.74Å; D133-E137 PolarHBondContact O-N 3.2Å |
| 134 | I | 81.9 | Confident | 69.4 | Low | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.8 | -62.9 | 172.6 | 0 | 0 | 0 | 110.2 | L55 R128 P129 L130 N131 R136 F158 | L55-I134 HydrophobicContact CD2-CG2 4.1Å; R128-I134 HydrophobicContact CB-CD1 3.76Å; R128-I134 WeakPolarHBondContact O-CD1 3.31Å; P129-I134 VanDerWaalsContact O-CD1 3.27Å; P129-I134 WeakPolarHBondContact O-CD1 3.47Å; L130-I134 HydrophobicContact CD1-CB 4.46Å; L130-I134 HydrophobicContact CD1-CG2 4.07Å; N131-I134 PolarHBondContact O-N 2.88Å; N131-I134 PolarHBondContact OD1-N 3.01Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-F158 WeakPolarHBondContact O-CE2 3.37Å |
| 135 | I | 81.1 | Confident | 66.6 | Low | 1 Ų | 1 | 87 Ų | 87 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.6 | -66 | 168.2 | 0 | 0 | 0 | 110 | L130 N131 E132 D133 V174 M177 T178 K183 | L130-I135 HydrophobicContact CD1-CG1 4.23Å; N131-I135 WeakPolarHBondContact O-CG1 3.19Å; N131-I135 PolarHBondContact O-N 2.91Å; N131-I135 VanDerWaalsContact O-N 3.1Å; E132-I135 PolarHBondContact O-N 2.82Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.22Å; I135-V174 HydrophobicContact CD1-CG1 3.97Å; I135-M177 HydrophobicContact CD1-CB 4.1Å; I135-M177 HydrophobicContact CD1-SD 3.83Å; I135-T178 HydrophobicContact CG2-CG2 4.4Å; I135-K183 HydrophobicContact CG2-CD 4.26Å; I135-K183 PolarHBondContact O-NZ 2.89Å |
| 136 | R | 74 | Confident | 63.8 | Low | 81 Ų | 81 | 90 Ų | 90 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.6 | -42.2 | -176 | -84.9 | -173.6 | 169.6 | 147.4 | 7 | 113.8 | E132 D133 I134 H138 E181 | E132-R136 VanDerWaalsContact CD-CZ 3.47Å; E132-R136 HydrophobicContact CG-CG 4.07Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.31Å; E132-R136 WeakPolarHBondContact O-CG 3.3Å; E132-R136 PolarHBondContact O-N 3.08Å; E132-R136 IonicContact OE1-CZ 2.76Å; E132-R136 IonicContact OE1-NE 2.68Å; E132-R136 PolarHBondContact OE1-NE 3.21Å; E132-R136 IonicContact OE1-NH1 2.87Å; E132-R136 PolarHBondContact OE1-NH1 3.25Å; E132-R136 IonicContact OE1-NH2 2.87Å; E132-R136 PolarHBondContact OE1-NH2 3.29Å; E132-R136 IonicContact OE2-NH1 2.82Å; D133-R136 PolarHBondContact O-N 2.74Å; I134-R136 VanDerWaalsContact C-N 3.33Å; R136-H138 PolarHBondContact O-N 2.67Å; R136-H138 PolarHBondContact O-ND1 3Å; R136-E181 HydrophobicContact CG-CG 4.24Å; R136-E181 IonicContact CZ-OE1 3.99Å; R136-E181 VanDerWaalsContact CZ-OE1 3.26Å; R136-E181 IonicContact NE-OE1 2.94Å; R136-E181 PolarHBondContact NE-OE1 2.85Å; R136-E181 IonicContact NE-OE2 3.15Å; R136-E181 IonicContact NH2-OE1 3.34Å; R136-E181 PolarHBondContact NH2-OE1 3.1Å |
| 137 | E | 62.5 | Low | 60.9 | Low | 35 Ų | 35 | 100.6 Ų | 100.6 | 16% | 0.164 | 48% | 0.483 | C | S | . | . | trans | -7.1 | 85.7 | -169.7 | -97.9 | 177.5 | -161.2 | 0 | 0 | 113.5 | R128 D133 Y153 M156 | R128-E137 IonicContact CZ-OE1 3.19Å; R128-E137 IonicContact NH2-OE1 2.83Å; R128-E137 PolarHBondContact NH2-OE1 3.34Å; D133-E137 PolarHBondContact O-N 3.2Å; E137-Y153 WeakPolarHBondContact OE1-CE1 3.3Å; E137-M156 CarbonylContact O-C 3.18Å; E137-M156 VanDerWaalsContact O-C 3.32Å; E137-M156 VanDerWaalsContact O-O 3.06Å | ||
| 138 | H | 47.8 | Very low | 57.9 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | trans | -81.9 | 171.7 | -174 | -66.6 | -72.4 | 0 | 0 | 0 | 111.8 | R136 V140 S155 E181 | R136-H138 PolarHBondContact O-N 2.67Å; R136-H138 PolarHBondContact O-ND1 3Å; H138-V140 VanDerWaalsContact C-N 3.35Å; H138-V140 PolarHBondContact O-N 3.13Å; H138-S155 PolarHBondContact O-OG 2.84Å; H138-E181 IonicContact CE1-OE2 2.81Å | ||
| 139 | D | 39.9 | Very low | 55.1 | Low | 82 Ų | 82 | 111.4 Ų | 111.4 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | trans | -58.8 | 85.6 | 173 | -157.9 | 6.4 | 0 | 0 | 0 | 111.8 | R141 S155 I157 | D139-R141 VanDerWaalsContact C-N 3.27Å; D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 WeakPolarHBondContact OD1-CG 3.32Å; D139-R141 IonicContact OD1-NE 2.96Å; D139-R141 IonicContact OD2-CZ 3.26Å; D139-R141 IonicContact OD2-NE 3.95Å; D139-R141 PolarHBondContact OD2-NE 3.35Å; D139-R141 IonicContact OD2-NH2 3.61Å; D139-S155 WeakPolarHBondContact CA-OG 3.49Å; D139-S155 PolarHBondContact N-OG 3.19Å; D139-S155 VanDerWaalsContact N-OG 3.16Å; D139-I157 HydrophobicContact CB-CD1 4.26Å | ||
| 140 | V | 37.7 | Very low | 52.5 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | trans | -79.8 | 82.7 | 169.2 | -170 | 0 | 0 | 0 | 0 | 107.9 | H138 D142 | H138-V140 VanDerWaalsContact C-N 3.35Å; H138-V140 PolarHBondContact O-N 3.13Å; V140-D142 PolarHBondContact O-N 2.87Å | ||
| 141 | R | 38.5 | Very low | 49.9 | Very low | 214 Ų | 214 | 116.4 Ų | 116.4 | 81% | 0.808 | 55% | 0.552 | S | S | * | * | trans | -71.5 | 2.7 | 168.4 | -69.5 | -169.4 | -176.2 | -169.8 | -3 | 113.9 | D139 | D139-R141 VanDerWaalsContact C-N 3.27Å; D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 WeakPolarHBondContact OD1-CG 3.32Å; D139-R141 IonicContact OD1-NE 2.96Å; D139-R141 IonicContact OD2-CZ 3.26Å; D139-R141 IonicContact OD2-NE 3.95Å; D139-R141 PolarHBondContact OD2-NE 3.35Å; D139-R141 IonicContact OD2-NH2 3.61Å | ||
| 142 | D | 33.7 | Very low | 47.5 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | trans | -119.8 | 81.7 | 179.5 | -150.9 | -8.5 | 0 | 0 | 0 | 112.2 | V140 R144 | V140-D142 PolarHBondContact O-N 2.87Å; D142-R144 PolarHBondContact O-N 3.24Å | ||
| 143 | V | 36.6 | Very low | 45.5 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 75% | 0.745 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 52.3 | 178.5 | -168.7 | 0 | 0 | 0 | 0 | 111 | ||
| 144 | R | 36.6 | Very low | 43.6 | Very low | 222 Ų | 222 | 122.3 Ų | 122.3 | 84% | 0.838 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -10.8 | 174.7 | -69.8 | -172.7 | -174.8 | -170.4 | 4.4 | 114.9 | D142 | D142-R144 PolarHBondContact O-N 3.24Š|
| 145 | T | 34.6 | Very low | 41.8 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 78% | 0.779 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -117.4 | -6.7 | -169.9 | -11 | 0 | 0 | 0 | 0 | 116.3 | ||
| 146 | L | 36 | Very low | 40.6 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 82% | 0.822 | 60% | 0.602 | S | S | * | * | trans | -104.1 | 77.6 | 176.3 | -76.1 | 162.2 | 0 | 0 | 0 | 110.8 | ||||
| 147 | R | 29.7 | Very low | 40.5 | Very low | 235 Ų | 235 | 124.1 Ų | 124.1 | 89% | 0.887 | 61% | 0.605 | S | S | * | * | trans | -97.2 | 120.2 | 164.9 | -85.3 | -167.9 | 179.9 | -162.7 | 0.7 | 109.9 | ||||
| 148 | R | 29.3 | Very low | 41.7 | Very low | 221 Ų | 221 | 122.5 Ų | 122.5 | 83% | 0.834 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 106.4 | 116.7 | 157.5 | -65.3 | 177.3 | 169.8 | 163.3 | -3.4 | 115.6 | ||
| 149 | F | 32.1 | Very low | 43.8 | Very low | 197 Ų | 197 | 120.6 Ų | 120.6 | 86% | 0.864 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 99.8 | 102.7 | 166.2 | -55.4 | -73.2 | 0 | 0 | 0 | 116.2 | ||
| 150 | D | 34.6 | Very low | 46.5 | Very low | 142 Ų | 142 | 116.7 Ų | 116.7 | 76% | 0.759 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 62.5 | 118.9 | 166.5 | -78.5 | -28.2 | 0 | 0 | 0 | 122.8 | ||
| 151 | C | 34.8 | Very low | 49.4 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 61.8 | 143.5 | 161.7 | -71.3 | 0 | 0 | 0 | 0 | 120.3 | Y153 | C151-Y153 WeakPolarHBondContact O-CD2 3.48Å; C151-Y153 PolarHBondContact O-N 3.3Å |
| 152 | S | 34.3 | Very low | 52.2 | Low | 108 Ų | 108 | 102.4 Ų | 102.4 | 76% | 0.755 | 51% | 0.505 | S | S | * | . | trans | -56.9 | 97.5 | -176 | 44.4 | 0 | 0 | 0 | 0 | 113.5 | V154 | S152-V154 PolarHBondContact O-N 2.85Š| ||
| 153 | Y | 38.9 | Very low | 55.3 | Low | 126 Ų | 126 | 97.3 Ų | 97.3 | 49% | 0.494 | 48% | 0.478 | S | S | . | . | trans | -75.4 | 100.1 | 176.4 | -94 | -97.1 | 0 | 0 | 0 | 111.9 | R128 E137 C151 | R128-Y153 PolarHBondContact NH2-OH 3.09Å; E137-Y153 WeakPolarHBondContact OE1-CE1 3.3Å; C151-Y153 WeakPolarHBondContact O-CD2 3.48Å; C151-Y153 PolarHBondContact O-N 3.3Å | ||
| 154 | V | 40.4 | Very low | 58.2 | Low | 105 Ų | 105 | 91.7 Ų | 91.7 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | trans | -88.4 | 133.5 | 153.3 | 179 | 0 | 0 | 0 | 0 | 106.7 | S152 M156 | S152-V154 PolarHBondContact O-N 2.85Å; V154-M156 VanDerWaalsContact O-CG 3.29Å; V154-M156 WeakPolarHBondContact O-CG 3.34Å; V154-M156 PolarHBondContact O-N 3.48Å | ||
| 155 | S | 45.1 | Very low | 61 | Low | 32 Ų | 32 | 83 Ų | 83 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | trans | -53.2 | 133.3 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 112.7 | H138 D139 | H138-S155 PolarHBondContact O-OG 2.84Å; D139-S155 WeakPolarHBondContact CA-OG 3.49Å; D139-S155 PolarHBondContact N-OG 3.19Å; D139-S155 VanDerWaalsContact N-OG 3.16Å | ||
| 156 | M | 55.8 | Low | 63.8 | Low | 20 Ų | 20 | 78 Ų | 78 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | trans | -115.6 | 76.9 | -173.8 | -55.5 | -165.9 | -173.5 | 0 | 0 | 112.7 | Q77 N124 E137 V154 F158 | Q77-M156 PolarHBondContact NE2-SD 3.35Å; N124-M156 HydrophobicContact CB-CE 3.88Å; N124-M156 HydrophobicContact CB-SD 4.41Å; N124-M156 VanDerWaalsContact ND2-CE 3.29Å; N124-M156 WeakPolarHBondContact ND2-CE 3.34Å; E137-M156 CarbonylContact O-C 3.18Å; E137-M156 VanDerWaalsContact O-C 3.32Å; E137-M156 VanDerWaalsContact O-O 3.06Å; V154-M156 VanDerWaalsContact O-CG 3.29Å; V154-M156 WeakPolarHBondContact O-CG 3.34Å; V154-M156 PolarHBondContact O-N 3.48Å; M156-F158 HydrophobicContact CB-CE1 4Å; M156-F158 HydrophobicContact CB-CE2 4.07Å; M156-F158 HydrophobicContact CB-CZ 3.62Å; M156-F158 HydrophobicContact CG-CZ 4.39Å; M156-F158 PolarHBondContact O-N 3.08Å; M156-F158 HydrophobicContact SD-CE1 4.42Å; M156-F158 HydrophobicContact SD-CZ 3.93Å | ||
| 157 | I | 71.6 | Confident | 66.4 | Low | 72 Ų | 72 | 72.3 Ų | 72.3 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | trans | -74.1 | 98.1 | 170 | -55.2 | 176.4 | 0 | 0 | 0 | 109.3 | D139 Q159 | D139-I157 HydrophobicContact CB-CD1 4.26Å; I157-Q159 PolarHBondContact O-NE2 3.07Å; I157-Q159 PolarHBondContact O-OE1 2.92Å | ||
| 158 | F | 87.3 | Confident | 69.4 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | trans | -73.4 | 130.8 | 170.1 | -53.3 | -61.9 | 0 | 0 | 0 | 111.4 | L55 T79 I134 M156 I161 K183 | L55-F158 HydrophobicContact CB-CD1 3.93Å; L55-F158 HydrophobicContact CB-CD2 4.2Å; L55-F158 HydrophobicContact CB-CE1 4.13Å; L55-F158 HydrophobicContact CB-CE2 4.38Å; L55-F158 HydrophobicContact CB-CG 3.98Å; L55-F158 HydrophobicContact CB-CZ 4.35Å; L55-F158 HydrophobicContact CD1-CZ 4.22Å; L55-F158 HydrophobicContact CD2-CD2 4.47Å; L55-F158 HydrophobicContact CD2-CE2 4.38Å; T79-F158 HydrophobicContact CG2-CE1 4.48Å; T79-F158 HydrophobicContact CG2-CZ 4.19Å; T79-F158 VanDerWaalsContact OG1-CE1 3.3Å; T79-F158 WeakPolarHBondContact OG1-CE1 3Å; I134-F158 WeakPolarHBondContact O-CE2 3.37Å; M156-F158 HydrophobicContact CB-CE1 4Å; M156-F158 HydrophobicContact CB-CE2 4.07Å; M156-F158 HydrophobicContact CB-CZ 3.62Å; M156-F158 HydrophobicContact CG-CZ 4.39Å; M156-F158 PolarHBondContact O-N 3.08Å; M156-F158 HydrophobicContact SD-CE1 4.42Å; M156-F158 HydrophobicContact SD-CZ 3.93Å; F158-I161 HydrophobicContact CB-CD1 3.64Å; F158-I161 HydrophobicContact CD2-CD1 4.17Å; F158-I161 HydrophobicContact CG-CD1 4.09Å; F158-K183 WeakPolarHBondContact O-CD 3.43Å; F158-K183 WeakPolarHBondContact O-CE 3.26Å; F158-K183 PolarHBondContact O-NZ 3.18Å | ||
| 159 | Q | 92.9 | Very high | 72.3 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -90.8 | -25.1 | 170.3 | -69.4 | 72.1 | 39.7 | 0 | 0 | 112 | S53 I157 K184 L411 | S53-Q159 PolarHBondContact O-N 3.06Å; S53-Q159 PolarHBondContact O-OE1 2.93Å; I157-Q159 PolarHBondContact O-NE2 3.07Å; I157-Q159 PolarHBondContact O-OE1 2.92Å; Q159-K184 PolarHBondContact O-N 3.04Å; Q159-L411 HydrophobicContact CB-CD2 3.94Å |
| 160 | L | 96.6 | Very high | 75.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.3 | -176.6 | 175.1 | 63.8 | 0 | 0 | 0 | 110.7 | A54 L55 I162 K184 M186 A407 A410 L411 | A54-L160 WeakPolarHBondContact CA-O 3.26Å; A54-L160 HydrophobicContact CB-CB 4.38Å; L55-L160 PolarHBondContact N-O 2.85Å; L160-I162 HydrophobicContact CD1-CG1 4.34Å; L160-I162 HydrophobicContact CD2-CD1 3.83Å; L160-I162 HydrophobicContact CD2-CG1 4Å; L160-I162 HydrophobicContact CG-CD1 4.23Å; L160-I162 HydrophobicContact CG-CG1 3.9Å; L160-K184 WeakPolarHBondContact CA-O 3.42Å; L160-K184 HydrophobicContact CD1-CB 3.72Å; L160-M186 HydrophobicContact CD1-CG 3.98Å; L160-M186 HydrophobicContact CD1-SD 3.96Å; L160-M186 HydrophobicContact CD2-SD 4.13Å; L160-A407 HydrophobicContact CD2-CB 3.47Å; L160-A407 VanDerWaalsContact CD2-CB 3.47Å; L160-A410 HydrophobicContact CD1-CB 4.19Å; L160-A410 HydrophobicContact CD2-CB 4.18Å; L160-L411 HydrophobicContact CB-CD2 3.77Å; L160-L411 HydrophobicContact CB-CG 4.47Å; L160-L411 HydrophobicContact CD2-CD2 4.43Å; L160-L411 HydrophobicContact CD2-CG 4.25Å |
| 161 | I | 97.4 | Very high | 78.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.5 | 171.9 | -49.8 | -57 | 0 | 0 | 0 | 108.8 | L55 F158 V163 V174 T178 K184 F185 M186 | L55-I161 HydrophobicContact CB-CD1 3.74Å; L55-I161 HydrophobicContact CD2-CD1 3.96Å; L55-I161 HydrophobicContact CD2-CG2 4.36Å; L55-I161 HydrophobicContact CG-CD1 4.46Å; F158-I161 HydrophobicContact CB-CD1 3.64Å; F158-I161 HydrophobicContact CD2-CD1 4.17Å; F158-I161 HydrophobicContact CG-CD1 4.09Å; I161-V163 HydrophobicContact CG2-CG1 4.34Å; I161-V174 HydrophobicContact CG2-CG1 4.12Å; I161-T178 HydrophobicContact CB-CG2 3.87Å; I161-T178 HydrophobicContact CG1-CG2 3.54Å; I161-T178 HydrophobicContact CG2-CG2 4.48Å; I161-K184 PolarHBondContact N-O 3.46Å; I161-F185 CarbonylContact O-C 3.53Å; I161-F185 WeakPolarHBondContact O-CA 3.25Å; I161-M186 PolarHBondContact O-N 3.41Å |
| 162 | I | 98.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.7 | 178.9 | -59 | 165.3 | 0 | 0 | 0 | 107.4 | L55 I56 S57 I66 L70 L160 M186 I188 A407 | L55-I162 PolarHBondContact O-N 3.17Å; I56-I162 CarbonylContact C-O 3.54Å; I56-I162 WeakPolarHBondContact CA-O 3.4Å; I56-I162 HydrophobicContact CG1-CB 4.4Å; I56-I162 HydrophobicContact CG1-CD1 4.11Å; S57-I162 PolarHBondContact N-O 3.02Å; I66-I162 HydrophobicContact CD1-CG2 4.18Å; I66-I162 HydrophobicContact CG2-CD1 3.91Å; L70-I162 HydrophobicContact CD1-CD1 3.91Å; L160-I162 HydrophobicContact CD1-CG1 4.34Å; L160-I162 HydrophobicContact CD2-CD1 3.83Å; L160-I162 HydrophobicContact CD2-CG1 4Å; L160-I162 HydrophobicContact CG-CD1 4.23Å; L160-I162 HydrophobicContact CG-CG1 3.9Å; I162-M186 WeakPolarHBondContact CA-O 3.48Å; I162-M186 HydrophobicContact CG1-CB 4.25Å; I162-M186 HydrophobicContact CG1-SD 4.24Å; I162-M186 HydrophobicContact CG2-CB 4.47Å; I162-I188 HydrophobicContact CG2-CD1 3.43Å; I162-I188 VanDerWaalsContact CG2-CD1 3.43Å; I162-A407 HydrophobicContact CD1-CB 3.87Å |
| 163 | V | 98.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.9 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 111 | L130 I161 M166 Q171 V174 F185 M186 S187 I188 | L130-V163 HydrophobicContact CD2-CG1 4.23Å; I161-V163 HydrophobicContact CG2-CG1 4.34Å; V163-M166 HydrophobicContact CB-CE 4.34Å; V163-M166 HydrophobicContact CB-SD 4.16Å; V163-M166 HydrophobicContact CG1-CE 4.17Å; V163-M166 HydrophobicContact CG1-SD 4.17Å; V163-M166 HydrophobicContact CG2-SD 4.42Å; V163-Q171 HydrophobicContact CG2-CG 3.95Å; V163-V174 HydrophobicContact CG1-CG1 4.05Å; V163-F185 HydrophobicContact CG1-CE2 3.99Å; V163-F185 HydrophobicContact CG2-CE2 3.67Å; V163-F185 HydrophobicContact CG2-CZ 3.5Å; V163-M186 PolarHBondContact N-O 3.47Å; V163-S187 WeakPolarHBondContact O-CA 3.41Å; V163-I188 PolarHBondContact O-N 3.38Å |
| 164 | T | 97.9 | Very high | 86.8 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.5 | 173.5 | 80.3 | 0 | 0 | 0 | 0 | 110.9 | S57 G58 I66 M166 I188 | S57-T164 PolarHBondContact O-N 3.19Å; S57-T164 PolarHBondContact O-OG1 3.38Å; G58-T164 WeakPolarHBondContact CA-OG1 3.41Å; G58-T164 PolarHBondContact O-OG1 3.07Å; I66-T164 HydrophobicContact CD1-CG2 4.28Å; T164-M166 VanDerWaalsContact C-N 3.25Å; T164-M166 PolarHBondContact O-N 2.93Å; T164-M166 VanDerWaalsContact O-N 3.16Å; T164-I188 WeakPolarHBondContact CA-O 3.26Å; T164-I188 WeakPolarHBondContact CB-O 3.5Å; T164-I188 HydrophobicContact CG2-CB 4.26Å |
| 165 | E | 94.5 | Very high | 89.5 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 53.5 | 37.4 | 175 | -50.7 | 171.7 | 91.5 | 0 | 0 | 114.8 | G60 K84 R106 D189 | G60-E165 PolarHBondContact N-OE2 2.97Å; K84-E165 PolarHBondContact NZ-O 3.25Å; R106-E165 IonicContact CZ-OE1 2.64Å; R106-E165 IonicContact CZ-OE2 3.77Å; R106-E165 IonicContact NH1-OE1 2.77Å; R106-E165 PolarHBondContact NH1-OE1 2.99Å; R106-E165 IonicContact NH1-OE2 2.98Å; R106-E165 PolarHBondContact NH1-OE2 3.01Å; R106-E165 IonicContact NH2-OE1 3.9Å; R106-E165 IonicContact NH2-OE2 2.87Å; R106-E165 PolarHBondContact NH2-OE2 3.27Å; E165-D189 WeakPolarHBondContact CA-OD2 3.34Å |
| 166 | M | 93.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | trans | -121.3 | 148.5 | -174.5 | -178.1 | 176.8 | -72.1 | 0 | 0 | 110.2 | L130 V163 T164 E170 Q171 V174 Y335 | L130-M166 HydrophobicContact CD2-CE 3.96Å; V163-M166 HydrophobicContact CB-CE 4.34Å; V163-M166 HydrophobicContact CB-SD 4.16Å; V163-M166 HydrophobicContact CG1-CE 4.17Å; V163-M166 HydrophobicContact CG1-SD 4.17Å; V163-M166 HydrophobicContact CG2-SD 4.42Å; T164-M166 VanDerWaalsContact C-N 3.25Å; T164-M166 PolarHBondContact O-N 2.93Å; T164-M166 VanDerWaalsContact O-N 3.16Å; M166-E170 HydrophobicContact CG-CB 3.42Å; M166-E170 VanDerWaalsContact CG-CB 3.42Å; M166-E170 HydrophobicContact CG-CG 4.41Å; M166-E170 HydrophobicContact SD-CB 3.66Å; M166-Q171 HydrophobicContact CB-CG 4.05Å; M166-Q171 HydrophobicContact CG-CG 3.93Å; M166-Q171 PolarHBondContact O-NE2 3.04Å; M166-Q171 HydrophobicContact SD-CG 4.11Å; M166-V174 HydrophobicContact SD-CG2 4.09Å; M166-Y335 WeakPolarHBondContact O-CE1 3.31Å | ||
| 167 | S | 91.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 36 Ų | 36 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | trans | -71.6 | 152.7 | 177.8 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | D169 E170 Q171 | S167-D169 PolarHBondContact O-N 2.93Å; S167-E170 PolarHBondContact N-OE2 3.5Å; S167-E170 VanDerWaalsContact N-OE2 3.14Å; S167-E170 PolarHBondContact O-N 3.32Å; S167-E170 VanDerWaalsContact O-N 3.11Å; S167-E170 VanDerWaalsContact OG-CD 3.31Å; S167-E170 VanDerWaalsContact OG-CG 3.3Å; S167-E170 WeakPolarHBondContact OG-CG 3.5Å; S167-E170 PolarHBondContact OG-N 3.3Å; S167-E170 PolarHBondContact OG-OE2 2.81Å; S167-Q171 VanDerWaalsContact O-CG 3.25Å; S167-Q171 WeakPolarHBondContact O-CG 3.49Å; S167-Q171 PolarHBondContact O-N 3.25Å | ||
| 168 | F | 91.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.7 | -32.7 | 178.2 | -79.5 | -39.3 | 0 | 0 | 0 | 113.9 | Q171 C172 Y196 I308 W331 R332 Y335 W421 | F168-Q171 VanDerWaalsContact CD1-OE1 3.24Å; F168-Q171 PolarHBondContact O-N 3.13Å; F168-C172 WeakPolarHBondContact O-CB 3.38Å; F168-C172 PolarHBondContact O-N 3.48Å; F168-C172 PolarHBondContact O-SG 3Å; F168-Y196 HydrophobicContact CZ-CE1 4.46Å; F168-I308 HydrophobicContact CB-CD1 4.24Å; F168-I308 HydrophobicContact CD1-CD1 4.1Å; F168-I308 HydrophobicContact CG-CD1 4.12Å; F168-W331 HydrophobicContact CE2-CB 4.11Å; F168-W331 HydrophobicContact CZ-CB 4.22Å; F168-R332 HydrophobicContact CD2-CG 3.98Å; F168-R332 HydrophobicContact CE2-CB 4.44Å; F168-R332 HydrophobicContact CE2-CG 3.73Å; F168-Y335 HydrophobicContact CD1-CD2 4.39Å; F168-Y335 HydrophobicContact CD1-CE2 4.34Å; F168-Y335 AromaticContact CD2-CD2 3.45Å; F168-Y335 HydrophobicContact CD2-CD2 3.45Å; F168-Y335 VanDerWaalsContact CD2-CD2 3.45Å; F168-Y335 HydrophobicContact CD2-CE2 4.08Å; F168-Y335 HydrophobicContact CD2-CG 4.35Å; F168-Y335 HydrophobicContact CE1-CD2 4.46Å; F168-Y335 HydrophobicContact CE1-CE2 4.13Å; F168-Y335 AromaticContact CE2-CD2 3.57Å; F168-Y335 HydrophobicContact CE2-CD2 3.57Å; F168-Y335 AromaticContact CE2-CE2 3.88Å; F168-Y335 HydrophobicContact CE2-CE2 3.88Å; F168-Y335 AromaticContact CG-CD2 3.88Å; F168-Y335 HydrophobicContact CG-CD2 3.88Å; F168-Y335 HydrophobicContact CG-CE2 4.28Å; F168-Y335 HydrophobicContact CZ-CD2 4.07Å; F168-Y335 AromaticContact CZ-CE2 3.9Å; F168-Y335 HydrophobicContact CZ-CE2 3.9Å; F168-W421 AromaticContact CE1-CH2 3.85Å; F168-W421 HydrophobicContact CE1-CH2 3.85Å; F168-W421 HydrophobicContact CE1-CZ3 4.21Å; F168-W421 HydrophobicContact CZ-CH2 4.18Å; F168-W421 HydrophobicContact CZ-CZ3 4.33Å |
| 169 | D | 91.7 | Very high | 95 | Very high | 82 Ų | 82 | 35.5 Ų | 35.5 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66 | -41.7 | 177.1 | -76.3 | -7.4 | 0 | 0 | 0 | 111.8 | S167 K173 Q339 | S167-D169 PolarHBondContact O-N 2.93Å; D169-K173 WeakPolarHBondContact O-CG 3.18Å; D169-K173 PolarHBondContact O-N 3.38Å; D169-Q339 PolarHBondContact OD2-NE2 2.97Å |
| 170 | E | 93.3 | Very high | 95 | Very high | 96 Ų | 96 | 39.1 Ų | 39.1 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.7 | -42 | 175 | -68.8 | 167.8 | 133.2 | 0 | 0 | 111.2 | M166 S167 C172 K173 V174 | M166-E170 HydrophobicContact CG-CB 3.42Å; M166-E170 VanDerWaalsContact CG-CB 3.42Å; M166-E170 HydrophobicContact CG-CG 4.41Å; M166-E170 HydrophobicContact SD-CB 3.66Å; S167-E170 PolarHBondContact N-OE2 3.5Å; S167-E170 VanDerWaalsContact N-OE2 3.14Å; S167-E170 PolarHBondContact O-N 3.32Å; S167-E170 VanDerWaalsContact O-N 3.11Å; S167-E170 VanDerWaalsContact OG-CD 3.31Å; S167-E170 VanDerWaalsContact OG-CG 3.3Å; S167-E170 WeakPolarHBondContact OG-CG 3.5Å; S167-E170 PolarHBondContact OG-N 3.3Å; S167-E170 PolarHBondContact OG-OE2 2.81Å; E170-C172 VanDerWaalsContact C-N 3.29Å; E170-C172 PolarHBondContact O-N 3.37Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 2.98Å; E170-K173 VanDerWaalsContact O-N 3.15Å; E170-V174 WeakPolarHBondContact O-CG2 3.42Å; E170-V174 PolarHBondContact O-N 2.81Å |
| 171 | Q | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.2 | -41.9 | 175.1 | -65.5 | 175.1 | 29.7 | 0 | 0 | 111.4 | V163 M166 S167 F168 K173 V174 N175 F185 S187 Y196 L304 | V163-Q171 HydrophobicContact CG2-CG 3.95Å; M166-Q171 HydrophobicContact CB-CG 4.05Å; M166-Q171 HydrophobicContact CG-CG 3.93Å; M166-Q171 PolarHBondContact O-NE2 3.04Å; M166-Q171 HydrophobicContact SD-CG 4.11Å; S167-Q171 VanDerWaalsContact O-CG 3.25Å; S167-Q171 WeakPolarHBondContact O-CG 3.49Å; S167-Q171 PolarHBondContact O-N 3.25Å; F168-Q171 VanDerWaalsContact CD1-OE1 3.24Å; F168-Q171 PolarHBondContact O-N 3.13Å; Q171-K173 PolarHBondContact O-N 3.27Å; Q171-V174 PolarHBondContact O-N 2.83Å; Q171-N175 VanDerWaalsContact O-CB 3.29Å; Q171-N175 WeakPolarHBondContact O-CB 3.27Å; Q171-N175 PolarHBondContact O-N 3.03Å; Q171-F185 HydrophobicContact CB-CZ 4.31Å; Q171-S187 PolarHBondContact NE2-OG 3.14Å; Q171-S187 PolarHBondContact OE1-OG 3.01Å; Q171-Y196 PolarHBondContact NE2-OH 3.24Å; Q171-Y196 PolarHBondContact OE1-OH 3.02Å; Q171-L304 HydrophobicContact CB-CD2 3.57Å |
| 172 | C | 96.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 45 Ų | 45 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 176 | -72.6 | 0 | 0 | 0 | 0 | 111.7 | F168 E170 N175 E176 | F168-C172 WeakPolarHBondContact O-CB 3.38Å; F168-C172 PolarHBondContact O-N 3.48Å; F168-C172 PolarHBondContact O-SG 3Å; E170-C172 VanDerWaalsContact C-N 3.29Å; E170-C172 PolarHBondContact O-N 3.37Å; C172-N175 PolarHBondContact O-N 3.19Å; C172-E176 WeakPolarHBondContact O-CB 3.42Å; C172-E176 PolarHBondContact O-N 2.99Å |
| 173 | K | 95.6 | Very high | 94 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 54% | 0.543 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 177.7 | -68.6 | 168.9 | -172.8 | 172.4 | 0 | 111.5 | D169 E170 Q171 E176 M177 | D169-K173 WeakPolarHBondContact O-CG 3.18Å; D169-K173 PolarHBondContact O-N 3.38Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 2.98Å; E170-K173 VanDerWaalsContact O-N 3.15Å; Q171-K173 PolarHBondContact O-N 3.27Å; K173-E176 PolarHBondContact O-N 3.05Å; K173-M177 HydrophobicContact CB-CE 4.48Å; K173-M177 VanDerWaalsContact O-CG 3.26Å; K173-M177 WeakPolarHBondContact O-CG 3.31Å; K173-M177 PolarHBondContact O-N 2.92Å; K173-M177 VanDerWaalsContact O-N 3.08Å |
| 174 | V | 95.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | L130 I135 I161 V163 M166 E170 Q171 E176 M177 T178 F185 | L130-V174 HydrophobicContact CD2-CG1 4.22Å; L130-V174 HydrophobicContact CD2-CG2 3.79Å; I135-V174 HydrophobicContact CD1-CG1 3.97Å; I161-V174 HydrophobicContact CG2-CG1 4.12Å; V163-V174 HydrophobicContact CG1-CG1 4.05Å; M166-V174 HydrophobicContact SD-CG2 4.09Å; E170-V174 WeakPolarHBondContact O-CG2 3.42Å; E170-V174 PolarHBondContact O-N 2.81Å; Q171-V174 PolarHBondContact O-N 2.83Å; V174-E176 PolarHBondContact O-N 3.25Å; V174-M177 WeakPolarHBondContact O-CB 3.45Å; V174-M177 PolarHBondContact O-N 2.83Å; V174-T178 HydrophobicContact CG1-CG2 4.42Å; V174-T178 WeakPolarHBondContact O-CG2 3.33Å; V174-T178 PolarHBondContact O-N 2.87Å; V174-T178 PolarHBondContact O-OG1 2.78Å; V174-F185 HydrophobicContact CB-CE2 4.08Å; V174-F185 HydrophobicContact CG1-CD2 4.05Å; V174-F185 HydrophobicContact CG1-CE2 3.69Å |
| 175 | N | 97.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 178.2 | 179.1 | -111.2 | 0 | 0 | 0 | 112 | Q171 C172 M177 T178 R179 F185 D200 L304 | Q171-N175 VanDerWaalsContact O-CB 3.29Å; Q171-N175 WeakPolarHBondContact O-CB 3.27Å; Q171-N175 PolarHBondContact O-N 3.03Å; C172-N175 PolarHBondContact O-N 3.19Å; N175-M177 VanDerWaalsContact C-N 3.33Å; N175-M177 PolarHBondContact O-N 3.09Å; N175-T178 VanDerWaalsContact CA-OG1 3.3Å; N175-T178 WeakPolarHBondContact CA-OG1 3.25Å; N175-T178 PolarHBondContact O-N 2.89Å; N175-T178 PolarHBondContact O-OG1 3.09Å; N175-R179 WeakPolarHBondContact O-CB 3.29Å; N175-R179 WeakPolarHBondContact O-CG 3.45Å; N175-R179 PolarHBondContact O-N 3.02Å; N175-F185 HydrophobicContact CB-CD1 3.95Å; N175-F185 HydrophobicContact CB-CD2 4.27Å; N175-F185 HydrophobicContact CB-CE1 3.93Å; N175-F185 HydrophobicContact CB-CE2 4.25Å; N175-F185 HydrophobicContact CB-CG 4.11Å; N175-F185 HydrophobicContact CB-CZ 4.08Å; N175-F185 VanDerWaalsContact ND2-CD1 3.25Å; N175-F185 WeakPolarHBondContact ND2-CD1 3.11Å; N175-F185 WeakPolarHBondContact ND2-CG 3.34Å; N175-D200 PolarHBondContact ND2-OD2 3.31Å; N175-D200 PolarHBondContact OD1-OD2 3.31Å; N175-L304 HydrophobicContact CB-CB 3.88Å; N175-L304 HydrophobicContact CB-CD2 4.35Å; N175-L304 WeakPolarHBondContact OD1-CB 3.3Å; N175-L304 PolarHBondContact OD1-N 3.29Å |
| 176 | E | 96.1 | Very high | 94.1 | Very high | 117 Ų | 117 | 46.3 Ų | 46.3 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.1 | -172.9 | -178.3 | 173.5 | 0 | 0 | 111.7 | C172 K173 V174 R179 R180 | C172-E176 WeakPolarHBondContact O-CB 3.42Å; C172-E176 PolarHBondContact O-N 2.99Å; K173-E176 PolarHBondContact O-N 3.05Å; V174-E176 PolarHBondContact O-N 3.25Å; E176-R179 PolarHBondContact O-N 2.64Å; E176-R180 PolarHBondContact O-N 3.3Å |
| 177 | M | 93.5 | Very high | 94.4 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 174.1 | -66.8 | 169.3 | -167.7 | 0 | 0 | 111.3 | E132 I135 K173 V174 N175 R179 R180 E181 | E132-M177 HydrophobicContact CB-SD 4.13Å; I135-M177 HydrophobicContact CD1-CB 4.1Å; I135-M177 HydrophobicContact CD1-SD 3.83Å; K173-M177 HydrophobicContact CB-CE 4.48Å; K173-M177 VanDerWaalsContact O-CG 3.26Å; K173-M177 WeakPolarHBondContact O-CG 3.31Å; K173-M177 PolarHBondContact O-N 2.92Å; K173-M177 VanDerWaalsContact O-N 3.08Å; V174-M177 WeakPolarHBondContact O-CB 3.45Å; V174-M177 PolarHBondContact O-N 2.83Å; N175-M177 VanDerWaalsContact C-N 3.33Å; N175-M177 PolarHBondContact O-N 3.09Å; M177-R179 VanDerWaalsContact C-N 3.33Å; M177-R179 PolarHBondContact O-N 2.98Å; M177-R180 PolarHBondContact O-N 3.41Å; M177-E181 WeakPolarHBondContact O-CG 3.22Å; M177-E181 PolarHBondContact O-N 2.84Å; M177-E181 VanDerWaalsContact O-N 3.11Å |
| 178 | T | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.7 | 55 | 0 | 0 | 0 | 0 | 112.7 | I135 I161 V174 N175 E181 G182 K183 F185 | I135-T178 HydrophobicContact CG2-CG2 4.4Å; I161-T178 HydrophobicContact CB-CG2 3.87Å; I161-T178 HydrophobicContact CG1-CG2 3.54Å; I161-T178 HydrophobicContact CG2-CG2 4.48Å; V174-T178 HydrophobicContact CG1-CG2 4.42Å; V174-T178 WeakPolarHBondContact O-CG2 3.33Å; V174-T178 PolarHBondContact O-N 2.87Å; V174-T178 PolarHBondContact O-OG1 2.78Å; N175-T178 VanDerWaalsContact CA-OG1 3.3Å; N175-T178 WeakPolarHBondContact CA-OG1 3.25Å; N175-T178 PolarHBondContact O-N 2.89Å; N175-T178 PolarHBondContact O-OG1 3.09Å; T178-E181 CarbonylContact O-C 3.52Å; T178-E181 PolarHBondContact O-N 3.48Å; T178-G182 PolarHBondContact O-N 3.05Å; T178-K183 HydrophobicContact CG2-CB 4.31Å; T178-K183 PolarHBondContact O-N 3.07Å; T178-F185 HydrophobicContact CG2-CB 4.41Å; T178-F185 HydrophobicContact CG2-CD2 4.25Å; T178-F185 WeakPolarHBondContact OG1-CB 3.49Å |
| 179 | R | 93.2 | Very high | 95 | Very high | 62 Ų | 62 | 43 Ų | 43 | 23% | 0.234 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.2 | -82 | -70.7 | -169.5 | 142.1 | 1.9 | 111.9 | N175 E176 M177 E181 G182 D200 F301 K302 | N175-R179 WeakPolarHBondContact O-CB 3.29Å; N175-R179 WeakPolarHBondContact O-CG 3.45Å; N175-R179 PolarHBondContact O-N 3.02Å; E176-R179 PolarHBondContact O-N 2.64Å; M177-R179 VanDerWaalsContact C-N 3.33Å; M177-R179 PolarHBondContact O-N 2.98Å; R179-E181 VanDerWaalsContact C-N 3.26Å; R179-E181 PolarHBondContact O-N 2.92Å; R179-G182 PolarHBondContact O-N 3.36Å; R179-D200 IonicContact CZ-OD1 3.9Å; R179-D200 IonicContact CZ-OD2 3.3Å; R179-D200 VanDerWaalsContact NE-CG 3.28Å; R179-D200 IonicContact NE-OD1 3.87Å; R179-D200 PolarHBondContact NE-OD1 3.4Å; R179-D200 IonicContact NE-OD2 4Å; R179-D200 PolarHBondContact NE-OD2 3.21Å; R179-D200 IonicContact NH2-OD1 2.79Å; R179-D200 PolarHBondContact NH2-OD1 3.12Å; R179-D200 IonicContact NH2-OD2 3.98Å; R179-D200 PolarHBondContact NH2-OD2 2.82Å; R179-F301 VanDerWaalsContact NH2-C 3.29Å; R179-F301 PolarHBondContact NH2-O 3.21Å; R179-K302 PolarHBondContact NH2-O 3.44Å |
| 180 | R | 91.8 | Very high | 95.4 | Very high | 136 Ų | 136 | 39.8 Ų | 39.8 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.5 | -36.8 | 176.8 | 179.2 | 167.8 | 58.8 | -140.8 | 0.6 | 112.2 | E132 E176 M177 | E132-R180 IonicContact OE1-CZ 3.02Å; E132-R180 IonicContact OE1-NE 3.53Å; E132-R180 PolarHBondContact OE1-NE 2.8Å; E132-R180 IonicContact OE1-NH2 2.64Å; E132-R180 PolarHBondContact OE1-NH2 3.18Å; E132-R180 IonicContact OE2-NH2 3.65Å; E132-R180 PolarHBondContact OE2-NH2 3.29Å; E176-R180 PolarHBondContact O-N 3.3Å; M177-R180 PolarHBondContact O-N 3.41Å |
| 181 | E | 88.7 | Confident | 95.6 | Very high | 51 Ų | 51 | 36.7 Ų | 36.7 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.9 | -179.9 | -59.6 | -60.4 | 145.3 | 0 | 0 | 113.8 | R136 H138 M177 T178 R179 K183 | R136-E181 HydrophobicContact CG-CG 4.24Å; R136-E181 IonicContact CZ-OE1 3.99Å; R136-E181 VanDerWaalsContact CZ-OE1 3.26Å; R136-E181 IonicContact NE-OE1 2.94Å; R136-E181 PolarHBondContact NE-OE1 2.85Å; R136-E181 IonicContact NE-OE2 3.15Å; R136-E181 IonicContact NH2-OE1 3.34Å; R136-E181 PolarHBondContact NH2-OE1 3.1Å; H138-E181 IonicContact CE1-OE2 2.81Å; M177-E181 WeakPolarHBondContact O-CG 3.22Å; M177-E181 PolarHBondContact O-N 2.84Å; M177-E181 VanDerWaalsContact O-N 3.11Å; T178-E181 CarbonylContact O-C 3.52Å; T178-E181 PolarHBondContact O-N 3.48Å; R179-E181 VanDerWaalsContact C-N 3.26Å; R179-E181 PolarHBondContact O-N 2.92Å; E181-K183 VanDerWaalsContact C-N 3.28Å; E181-K183 HydrophobicContact CB-CD 4.19Å; E181-K183 HydrophobicContact CB-CG 4.05Å; E181-K183 PolarHBondContact O-N 3.32Å |
| 182 | G | 90.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 36.7 Ų | 36.7 | 74% | 0.742 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 25 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T178 R179 | T178-G182 PolarHBondContact O-N 3.05Å; R179-G182 PolarHBondContact O-N 3.36Å |
| 183 | K | 93.1 | Very high | 95.7 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | trans | -95.6 | 152.2 | -179.4 | -59.2 | -174.3 | -179.4 | -153.5 | 0 | 111.1 | I135 F158 T178 E181 | I135-K183 HydrophobicContact CG2-CD 4.26Å; I135-K183 PolarHBondContact O-NZ 2.89Å; F158-K183 WeakPolarHBondContact O-CD 3.43Å; F158-K183 WeakPolarHBondContact O-CE 3.26Å; F158-K183 PolarHBondContact O-NZ 3.18Å; T178-K183 HydrophobicContact CG2-CB 4.31Å; T178-K183 PolarHBondContact O-N 3.07Å; E181-K183 VanDerWaalsContact C-N 3.28Å; E181-K183 HydrophobicContact CB-CD 4.19Å; E181-K183 HydrophobicContact CB-CG 4.05Å; E181-K183 PolarHBondContact O-N 3.32Å | ||
| 184 | K | 96.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 29.3 Ų | 29.3 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 147.8 | 174.7 | -61.3 | 174.6 | -175.2 | 161.6 | 0 | 109.4 | Q159 L160 I161 F201 A410 | Q159-K184 PolarHBondContact O-N 3.04Å; L160-K184 WeakPolarHBondContact CA-O 3.42Å; L160-K184 HydrophobicContact CD1-CB 3.72Å; I161-K184 PolarHBondContact N-O 3.46Å; K184-F201 HydrophobicContact CB-CD1 4.06Å; K184-F201 HydrophobicContact CD-CB 4.33Å; K184-F201 HydrophobicContact CD-CG 4.48Å; K184-F201 HydrophobicContact CG-CB 4.22Å; K184-F201 HydrophobicContact CG-CD1 4.42Å; K184-A410 HydrophobicContact CD-CB 3.9Å; K184-A410 VanDerWaalsContact CD-O 3.28Å; K184-A410 WeakPolarHBondContact CD-O 3.4Å; K184-A410 WeakPolarHBondContact CE-O 3.28Å; K184-A410 PolarHBondContact NZ-O 2.83Å |
| 185 | F | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.6 | -176.6 | 175.2 | -92.9 | 0 | 0 | 0 | 111.3 | I161 V163 Q171 V174 N175 T178 F198 D200 L304 | I161-F185 CarbonylContact O-C 3.53Å; I161-F185 WeakPolarHBondContact O-CA 3.25Å; V163-F185 HydrophobicContact CG1-CE2 3.99Å; V163-F185 HydrophobicContact CG2-CE2 3.67Å; V163-F185 HydrophobicContact CG2-CZ 3.5Å; Q171-F185 HydrophobicContact CB-CZ 4.31Å; V174-F185 HydrophobicContact CB-CE2 4.08Å; V174-F185 HydrophobicContact CG1-CD2 4.05Å; V174-F185 HydrophobicContact CG1-CE2 3.69Å; N175-F185 HydrophobicContact CB-CD1 3.95Å; N175-F185 HydrophobicContact CB-CD2 4.27Å; N175-F185 HydrophobicContact CB-CE1 3.93Å; N175-F185 HydrophobicContact CB-CE2 4.25Å; N175-F185 HydrophobicContact CB-CG 4.11Å; N175-F185 HydrophobicContact CB-CZ 4.08Å; N175-F185 VanDerWaalsContact ND2-CD1 3.25Å; N175-F185 WeakPolarHBondContact ND2-CD1 3.11Å; N175-F185 WeakPolarHBondContact ND2-CG 3.34Å; T178-F185 HydrophobicContact CG2-CB 4.41Å; T178-F185 HydrophobicContact CG2-CD2 4.25Å; T178-F185 WeakPolarHBondContact OG1-CB 3.49Å; F185-F198 HydrophobicContact CD1-CD1 4.22Å; F185-F198 HydrophobicContact CD1-CE1 4.02Å; F185-F198 HydrophobicContact CE1-CD1 4.01Å; F185-F198 HydrophobicContact CE1-CE1 4.06Å; F185-D200 HydrophobicContact CB-CB 4.33Å; F185-D200 HydrophobicContact CD1-CB 4.31Å; F185-D200 PolarHBondContact N-O 3.35Å; F185-D200 CarbonylContact O-C 3.57Å; F185-D200 PolarHBondContact O-N 2.65Å; F185-L304 HydrophobicContact CE1-CD2 4.12Å; F185-L304 HydrophobicContact CZ-CD2 4.4Å |
| 186 | M | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.2 | 171.3 | -64.1 | 172.4 | 61.9 | 0 | 0 | 110.8 | L160 I161 I162 V163 I188 V197 F198 N199 F201 A403 E406 A407 | L160-M186 HydrophobicContact CD1-CG 3.98Å; L160-M186 HydrophobicContact CD1-SD 3.96Å; L160-M186 HydrophobicContact CD2-SD 4.13Å; I161-M186 PolarHBondContact O-N 3.41Å; I162-M186 WeakPolarHBondContact CA-O 3.48Å; I162-M186 HydrophobicContact CG1-CB 4.25Å; I162-M186 HydrophobicContact CG1-SD 4.24Å; I162-M186 HydrophobicContact CG2-CB 4.47Å; V163-M186 PolarHBondContact N-O 3.47Å; M186-I188 HydrophobicContact CB-CD1 3.97Å; M186-I188 HydrophobicContact CE-CD1 4.26Å; M186-V197 HydrophobicContact CE-CG1 4.45Å; M186-F198 CarbonylContact C-O 3.49Å; M186-F198 VanDerWaalsContact CA-O 3.27Å; M186-F198 WeakPolarHBondContact CA-O 3.41Å; M186-N199 WeakPolarHBondContact CE-OD1 3.31Å; M186-F201 HydrophobicContact CG-CE1 3.73Å; M186-F201 HydrophobicContact CG-CZ 4.42Å; M186-F201 HydrophobicContact SD-CE1 4.08Å; M186-F201 HydrophobicContact SD-CZ 4.33Å; M186-A403 HydrophobicContact CE-CB 4.36Å; M186-A403 WeakPolarHBondContact CE-O 3.45Å; M186-E406 HydrophobicContact CE-CB 3.42Å; M186-E406 VanDerWaalsContact CE-CB 3.42Å; M186-E406 HydrophobicContact CE-CG 4.48Å; M186-E406 HydrophobicContact SD-CB 4.32Å; M186-A407 HydrophobicContact CE-CB 4.45Å; M186-A407 HydrophobicContact SD-CB 3.91Å |
| 187 | S | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132 | 173.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | V163 Q171 Y196 F198 | V163-S187 WeakPolarHBondContact O-CA 3.41Å; Q171-S187 PolarHBondContact NE2-OG 3.14Å; Q171-S187 PolarHBondContact OE1-OG 3.01Å; S187-Y196 WeakPolarHBondContact OG-CE2 3.36Å; S187-Y196 PolarHBondContact OG-OH 3.37Å; S187-F198 PolarHBondContact N-O 2.88Å; S187-F198 PolarHBondContact O-N 2.77Å |
| 188 | I | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 135.5 | -176.8 | -57.4 | 94.5 | 0 | 0 | 0 | 109.2 | A62 I66 I162 V163 T164 M186 Y196 V197 I399 A403 | A62-I188 HydrophobicContact CB-CG2 4.4Å; I66-I188 HydrophobicContact CD1-CD1 4.08Å; I66-I188 HydrophobicContact CD1-CG1 4.32Å; I162-I188 HydrophobicContact CG2-CD1 3.43Å; I162-I188 VanDerWaalsContact CG2-CD1 3.43Å; V163-I188 PolarHBondContact O-N 3.38Å; T164-I188 WeakPolarHBondContact CA-O 3.26Å; T164-I188 WeakPolarHBondContact CB-O 3.5Å; T164-I188 HydrophobicContact CG2-CB 4.26Å; M186-I188 HydrophobicContact CB-CD1 3.97Å; M186-I188 HydrophobicContact CE-CD1 4.26Å; I188-Y196 WeakPolarHBondContact CA-O 3.3Å; I188-V197 HydrophobicContact CG1-CG1 4.3Å; I188-V197 HydrophobicContact CG1-CG2 4.25Å; I188-V197 HydrophobicContact CG2-CG2 4.49Å; I188-I399 HydrophobicContact CG2-CG2 3.45Å; I188-I399 VanDerWaalsContact CG2-CG2 3.45Å; I188-A403 HydrophobicContact CD1-CB 4.12Å; I188-A403 HydrophobicContact CG1-CB 3.72Å |
| 189 | D | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 154.2 | 166.9 | -151.2 | -36.9 | 0 | 0 | 0 | 110.4 | E165 R191 G195 Y196 W331 Y335 | E165-D189 WeakPolarHBondContact CA-OD2 3.34Å; D189-R191 IonicContact OD1-CZ 2.77Å; D189-R191 VanDerWaalsContact OD1-CZ 3.27Å; D189-R191 IonicContact OD1-NE 3.87Å; D189-R191 PolarHBondContact OD1-NE 2.96Å; D189-R191 IonicContact OD1-NH2 3.89Å; D189-R191 PolarHBondContact OD1-NH2 3.33Å; D189-R191 VanDerWaalsContact OD1-NH2 3.15Å; D189-R191 IonicContact OD2-CZ 3.76Å; D189-R191 IonicContact OD2-NE 3.95Å; D189-R191 PolarHBondContact OD2-NE 3.03Å; D189-R191 IonicContact OD2-NH2 2.88Å; D189-R191 PolarHBondContact OD2-NH2 2.93Å; D189-G195 VanDerWaalsContact O-CA 3.24Å; D189-G195 WeakPolarHBondContact O-CA 3.21Å; D189-Y196 HydrophobicContact CB-CD1 4.09Å; D189-Y196 HydrophobicContact CB-CE1 3.39Å; D189-Y196 PolarHBondContact N-O 3.02Å; D189-Y196 PolarHBondContact O-N 3.47Å; D189-W331 HydrophobicContact CB-CH2 4.02Å; D189-W331 HydrophobicContact CB-CZ3 3.87Å; D189-Y335 WeakPolarHBondContact CB-OH 3.31Å; D189-Y335 PolarHBondContact OD2-OH 3.19Å |
| 190 | C | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 10% | 0.095 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 123.2 | 178.8 | -66.1 | 0 | 0 | 0 | 0 | 108.3 | F194 I395 T396 | C190-F194 CarbonylContact C-O 3.53Å; C190-F194 WeakPolarHBondContact CA-O 3.46Å; C190-I395 HydrophobicContact CB-CG2 4.09Å; C190-T396 HydrophobicContact CB-CG2 4.04Å |
| 191 | R | 97.5 | Very high | 97.2 | Very high | 31 Ų | 31 | 12.1 Ų | 12.1 | 12% | 0.117 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 103.4 | -178.6 | -60.4 | -67.8 | 165.9 | -174.8 | -1.6 | 109.1 | D189 L193 F194 W331 L334 L384 A388 | D189-R191 IonicContact OD1-CZ 2.77Å; D189-R191 VanDerWaalsContact OD1-CZ 3.27Å; D189-R191 IonicContact OD1-NE 3.87Å; D189-R191 PolarHBondContact OD1-NE 2.96Å; D189-R191 IonicContact OD1-NH2 3.89Å; D189-R191 PolarHBondContact OD1-NH2 3.33Å; D189-R191 VanDerWaalsContact OD1-NH2 3.15Å; D189-R191 IonicContact OD2-CZ 3.76Å; D189-R191 IonicContact OD2-NE 3.95Å; D189-R191 PolarHBondContact OD2-NE 3.03Å; D189-R191 IonicContact OD2-NH2 2.88Å; D189-R191 PolarHBondContact OD2-NH2 2.93Å; R191-L193 PolarHBondContact O-N 2.98Å; R191-F194 PolarHBondContact N-O 3.33Å; R191-F194 WeakPolarHBondContact O-CB 3.19Å; R191-F194 PolarHBondContact O-N 3.29Å; R191-W331 HydrophobicContact CB-CH2 3.76Å; R191-W331 HydrophobicContact CB-CZ2 4.45Å; R191-W331 HydrophobicContact CB-CZ3 4.29Å; R191-W331 HydrophobicContact CG-CH2 3.32Å; R191-W331 HydrophobicContact CG-CZ2 4.41Å; R191-W331 HydrophobicContact CG-CZ3 3.45Å; R191-W331 VanDerWaalsContact CG-CZ3 3.45Å; R191-L334 HydrophobicContact CG-CD2 4.31Å; R191-L384 HydrophobicContact CB-CD1 4.43Å; R191-A388 WeakPolarHBondContact CD-O 3.38Å |
| 192 | G | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -121.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F194 Q387 G390 | G192-F194 VanDerWaalsContact C-N 3.29Å; G192-F194 PolarHBondContact O-N 3.19Å; G192-Q387 PolarHBondContact N-O 3.19Å; G192-G390 PolarHBondContact N-O 3.31Å |
| 193 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 10.6 | 178.6 | -67.2 | 167.4 | 0 | 0 | 0 | 114.7 | R191 V392 I395 D425 A426 C429 L430 V458 F459 L927 | R191-L193 PolarHBondContact O-N 2.98Å; L193-V392 HydrophobicContact CD2-CG1 4.47Å; L193-I395 HydrophobicContact CD2-CD1 4.42Å; L193-I395 HydrophobicContact CD2-CG1 4.26Å; L193-D425 CarbonylContact O-C 3.54Å; L193-D425 VanDerWaalsContact O-CA 3.23Å; L193-D425 WeakPolarHBondContact O-CA 3.44Å; L193-A426 HydrophobicContact CD2-CB 4.33Å; L193-A426 PolarHBondContact O-N 2.8Å; L193-C429 HydrophobicContact CD1-CB 4.05Å; L193-C429 HydrophobicContact CD2-CB 4Å; L193-L430 HydrophobicContact CD1-CD1 4.24Å; L193-L430 HydrophobicContact CD1-CD2 3.5Å; L193-L430 HydrophobicContact CD1-CG 3.51Å; L193-V458 HydrophobicContact CD1-CG1 3.89Å; L193-V458 HydrophobicContact CG-CG1 3.96Å; L193-F459 HydrophobicContact CD1-CE1 4.28Å; L193-F459 HydrophobicContact CD1-CZ 4.35Å; L193-F459 HydrophobicContact CD2-CZ 4Å; L193-F459 HydrophobicContact CG-CZ 4.48Å; L193-L927 HydrophobicContact CD2-CD2 4.29Å |
| 194 | F | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 145.4 | 179.9 | -58.7 | -95.1 | 0 | 0 | 0 | 110.9 | C190 R191 G192 M327 W331 L380 L383 L384 F424 D425 I427 | C190-F194 CarbonylContact C-O 3.53Å; C190-F194 WeakPolarHBondContact CA-O 3.46Å; R191-F194 PolarHBondContact N-O 3.33Å; R191-F194 WeakPolarHBondContact O-CB 3.19Å; R191-F194 PolarHBondContact O-N 3.29Å; G192-F194 VanDerWaalsContact C-N 3.29Å; G192-F194 PolarHBondContact O-N 3.19Å; F194-M327 HydrophobicContact CB-CE 4.44Å; F194-M327 HydrophobicContact CD1-CE 3.76Å; F194-W331 HydrophobicContact CB-CZ2 3.92Å; F194-L380 HydrophobicContact CE1-CD1 3.71Å; F194-L380 HydrophobicContact CE1-CG 4.29Å; F194-L380 HydrophobicContact CZ-CD1 3.92Å; F194-L383 HydrophobicContact CE2-CB 4.45Å; F194-L383 HydrophobicContact CZ-CB 4.16Å; F194-L384 HydrophobicContact CB-CD1 3.88Å; F194-L384 HydrophobicContact CD1-CD1 4.27Å; F194-L384 HydrophobicContact CD2-CB 4.36Å; F194-L384 HydrophobicContact CD2-CD1 3.62Å; F194-L384 HydrophobicContact CE2-CB 4.06Å; F194-L384 HydrophobicContact CE2-CD1 4.2Å; F194-L384 HydrophobicContact CG-CD1 3.66Å; F194-L384 HydrophobicContact CZ-CB 4.15Å; F194-F424 WeakPolarHBondContact CA-O 3.48Å; F194-D425 HydrophobicContact CD1-CB 3.62Å; F194-D425 HydrophobicContact CE1-CB 3.82Å; F194-D425 HydrophobicContact CG-CB 4.4Å; F194-I427 HydrophobicContact CE1-CG2 4.1Å; F194-I427 HydrophobicContact CE2-CG2 4.25Å; F194-I427 HydrophobicContact CZ-CG2 3.66Å |
| 195 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 160.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D189 F424 | D189-G195 VanDerWaalsContact O-CA 3.24Å; D189-G195 WeakPolarHBondContact O-CA 3.21Å; G195-F424 PolarHBondContact N-O 2.77Å; G195-F424 PolarHBondContact O-N 2.96Å |
| 196 | Y | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156 | 170.7 | 77.4 | -99.2 | 0 | 0 | 0 | 112.2 | F168 Q171 S187 I188 D189 W331 Y335 W421 F422 Y423 | F168-Y196 HydrophobicContact CZ-CE1 4.46Å; Q171-Y196 PolarHBondContact NE2-OH 3.24Å; Q171-Y196 PolarHBondContact OE1-OH 3.02Å; S187-Y196 WeakPolarHBondContact OG-CE2 3.36Å; S187-Y196 PolarHBondContact OG-OH 3.37Å; I188-Y196 WeakPolarHBondContact CA-O 3.3Å; D189-Y196 HydrophobicContact CB-CD1 4.09Å; D189-Y196 HydrophobicContact CB-CE1 3.39Å; D189-Y196 PolarHBondContact N-O 3.02Å; D189-Y196 PolarHBondContact O-N 3.47Å; Y196-W331 AromaticContact CD1-CD2 3.74Å; Y196-W331 HydrophobicContact CD1-CD2 3.74Å; Y196-W331 AromaticContact CD1-CE2 3.73Å; Y196-W331 AromaticContact CD1-CE3 3.92Å; Y196-W331 HydrophobicContact CD1-CE3 3.92Å; Y196-W331 HydrophobicContact CD1-CG 4.25Å; Y196-W331 AromaticContact CD1-CH2 3.99Å; Y196-W331 HydrophobicContact CD1-CH2 3.99Å; Y196-W331 AromaticContact CD1-CZ2 3.89Å; Y196-W331 HydrophobicContact CD1-CZ2 3.89Å; Y196-W331 HydrophobicContact CD1-CZ3 4.03Å; Y196-W331 HydrophobicContact CE1-CD2 4.06Å; Y196-W331 AromaticContact CE1-CE3 3.78Å; Y196-W331 HydrophobicContact CE1-CE3 3.78Å; Y196-W331 HydrophobicContact CE1-CH2 4.24Å; Y196-W331 AromaticContact CE1-CZ3 3.87Å; Y196-W331 HydrophobicContact CE1-CZ3 3.87Å; Y196-Y335 HydrophobicContact CE1-CE2 4.42Å; Y196-W421 HydrophobicContact CD2-CE3 4.22Å; Y196-W421 AromaticContact CD2-CZ3 3.83Å; Y196-W421 HydrophobicContact CD2-CZ3 3.83Å; Y196-W421 AromaticContact CE2-CZ3 3.95Å; Y196-W421 HydrophobicContact CE2-CZ3 3.95Å; Y196-F422 CarbonylContact C-O 3.59Å; Y196-F422 WeakPolarHBondContact CA-O 3.35Å; Y196-F422 WeakPolarHBondContact CB-O 3.48Å; Y196-Y423 HydrophobicContact CD1-CE1 4.39Å; Y196-Y423 HydrophobicContact CG-CE1 4.06Å |
| 197 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.6 | 167.4 | -180 | 0 | 0 | 0 | 0 | 108.4 | M186 I188 I399 L402 A403 E406 F422 | M186-V197 HydrophobicContact CE-CG1 4.45Å; I188-V197 HydrophobicContact CG1-CG1 4.3Å; I188-V197 HydrophobicContact CG1-CG2 4.25Å; I188-V197 HydrophobicContact CG2-CG2 4.49Å; V197-I399 HydrophobicContact CG2-CG2 3.85Å; V197-L402 HydrophobicContact CG2-CD2 4.07Å; V197-L402 HydrophobicContact CG2-CG 4.28Å; V197-A403 HydrophobicContact CG2-CB 4.32Å; V197-E406 HydrophobicContact CG1-CG 4.39Å; V197-F422 HydrophobicContact CB-CB 4.34Å; V197-F422 PolarHBondContact N-O 2.8Å; V197-F422 PolarHBondContact O-N 3.34Å |
| 198 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.7 | 171.5 | 170.3 | -98.9 | 0 | 0 | 0 | 110.4 | F185 M186 S187 D200 L304 S307 Q420 W421 | F185-F198 HydrophobicContact CD1-CD1 4.22Å; F185-F198 HydrophobicContact CD1-CE1 4.02Å; F185-F198 HydrophobicContact CE1-CD1 4.01Å; F185-F198 HydrophobicContact CE1-CE1 4.06Å; M186-F198 CarbonylContact C-O 3.49Å; M186-F198 VanDerWaalsContact CA-O 3.27Å; M186-F198 WeakPolarHBondContact CA-O 3.41Å; S187-F198 PolarHBondContact N-O 2.88Å; S187-F198 PolarHBondContact O-N 2.77Å; F198-D200 HydrophobicContact CE1-CB 3.77Å; F198-D200 HydrophobicContact CZ-CB 3.99Å; F198-L304 HydrophobicContact CD1-CD1 3.77Å; F198-L304 HydrophobicContact CD2-CD1 4.28Å; F198-L304 HydrophobicContact CE1-CB 3.86Å; F198-L304 HydrophobicContact CE1-CD1 3.57Å; F198-L304 HydrophobicContact CE1-CG 4.22Å; F198-L304 HydrophobicContact CE2-CD1 4.11Å; F198-L304 HydrophobicContact CG-CD1 4.11Å; F198-L304 HydrophobicContact CZ-CB 4.04Å; F198-L304 HydrophobicContact CZ-CD1 3.74Å; F198-S307 WeakPolarHBondContact CE2-OG 3.42Å; F198-Q420 WeakPolarHBondContact CA-O 3.44Å; F198-Q420 HydrophobicContact CD2-CB 4.11Å; F198-Q420 HydrophobicContact CE2-CB 3.85Å; F198-W421 HydrophobicContact CB-CD2 4.16Å; F198-W421 HydrophobicContact CB-CE3 3.76Å; F198-W421 HydrophobicContact CB-CH2 4.03Å; F198-W421 HydrophobicContact CB-CZ2 4.4Å; F198-W421 HydrophobicContact CB-CZ3 3.7Å; F198-W421 AromaticContact CD2-CD2 3.61Å; F198-W421 HydrophobicContact CD2-CD2 3.61Å; F198-W421 AromaticContact CD2-CE2 3.3Å; F198-W421 HydrophobicContact CD2-CE3 4.1Å; F198-W421 HydrophobicContact CD2-CG 4.06Å; F198-W421 HydrophobicContact CD2-CH2 4.07Å; F198-W421 AromaticContact CD2-CZ2 3.57Å; F198-W421 HydrophobicContact CD2-CZ2 3.57Å; F198-W421 HydrophobicContact CD2-CZ3 4.32Å; F198-W421 AromaticContact CD2-NE1 3.57Å; F198-W421 HydrophobicContact CE2-CD2 4.49Å; F198-W421 AromaticContact CE2-CE2 3.82Å; F198-W421 HydrophobicContact CE2-CZ2 4.02Å; F198-W421 AromaticContact CE2-NE1 3.72Å; F198-W421 HydrophobicContact CG-CD2 4.27Å; F198-W421 HydrophobicContact CG-CE3 4.31Å; F198-W421 HydrophobicContact CG-CH2 4.07Å; F198-W421 HydrophobicContact CG-CZ2 4.02Å; F198-W421 HydrophobicContact CG-CZ3 4.22Å |
| 199 | N | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.2 | 177.1 | -70.3 | -23 | 0 | 0 | 0 | 112.3 | M186 F201 F301 E406 V418 Q420 | M186-N199 WeakPolarHBondContact CE-OD1 3.31Å; N199-F201 HydrophobicContact CB-CD1 4.47Å; N199-F201 HydrophobicContact CB-CE1 3.9Å; N199-F201 HydrophobicContact CB-CE2 4.49Å; N199-F201 HydrophobicContact CB-CZ 3.9Å; N199-F301 HydrophobicContact CB-CD1 4.42Å; N199-F301 HydrophobicContact CB-CE1 3.97Å; N199-F301 VanDerWaalsContact O-CD1 3.3Å; N199-F301 WeakPolarHBondContact O-CD1 3.42Å; N199-E406 PolarHBondContact ND2-OE2 3.5Å; N199-V418 WeakPolarHBondContact CB-O 3.14Å; N199-V418 PolarHBondContact ND2-O 3.15Å; N199-Q420 PolarHBondContact N-O 2.88Å; N199-Q420 VanDerWaalsContact N-O 3.07Å; N199-Q420 PolarHBondContact O-NE2 2.88Å |
| 200 | D | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 99.4 | 164.9 | 178.2 | 5.2 | 0 | 0 | 0 | 110.6 | N175 R179 F185 F198 G202 | N175-D200 PolarHBondContact ND2-OD2 3.31Å; N175-D200 PolarHBondContact OD1-OD2 3.31Å; R179-D200 IonicContact CZ-OD1 3.9Å; R179-D200 IonicContact CZ-OD2 3.3Å; R179-D200 VanDerWaalsContact NE-CG 3.28Å; R179-D200 IonicContact NE-OD1 3.87Å; R179-D200 PolarHBondContact NE-OD1 3.4Å; R179-D200 IonicContact NE-OD2 4Å; R179-D200 PolarHBondContact NE-OD2 3.21Å; R179-D200 IonicContact NH2-OD1 2.79Å; R179-D200 PolarHBondContact NH2-OD1 3.12Å; R179-D200 IonicContact NH2-OD2 3.98Å; R179-D200 PolarHBondContact NH2-OD2 2.82Å; F185-D200 HydrophobicContact CB-CB 4.33Å; F185-D200 HydrophobicContact CD1-CB 4.31Å; F185-D200 PolarHBondContact N-O 3.35Å; F185-D200 CarbonylContact O-C 3.57Å; F185-D200 PolarHBondContact O-N 2.65Å; F198-D200 HydrophobicContact CE1-CB 3.77Å; F198-D200 HydrophobicContact CZ-CB 3.99Å; D200-G202 PolarHBondContact OD1-N 2.97Å |
| 201 | F | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | trans | -99.4 | 18.6 | 179.6 | -54.9 | -19.4 | 0 | 0 | 0 | 113.7 | K184 M186 N199 H205 F301 A410 P417 | K184-F201 HydrophobicContact CB-CD1 4.06Å; K184-F201 HydrophobicContact CD-CB 4.33Å; K184-F201 HydrophobicContact CD-CG 4.48Å; K184-F201 HydrophobicContact CG-CB 4.22Å; K184-F201 HydrophobicContact CG-CD1 4.42Å; M186-F201 HydrophobicContact CG-CE1 3.73Å; M186-F201 HydrophobicContact CG-CZ 4.42Å; M186-F201 HydrophobicContact SD-CE1 4.08Å; M186-F201 HydrophobicContact SD-CZ 4.33Å; N199-F201 HydrophobicContact CB-CD1 4.47Å; N199-F201 HydrophobicContact CB-CE1 3.9Å; N199-F201 HydrophobicContact CB-CE2 4.49Å; N199-F201 HydrophobicContact CB-CZ 3.9Å; F201-H205 HydrophobicContact CB-CB 3.97Å; F201-H205 AromaticContact CD2-CE1 3.84Å; F201-H205 AromaticContact CD2-ND1 3.93Å; F201-H205 AromaticContact CD2-NE2 3.99Å; F201-F301 HydrophobicContact CB-CD2 3.93Å; F201-F301 HydrophobicContact CB-CE2 3.85Å; F201-F301 HydrophobicContact CB-CG 4.46Å; F201-F301 HydrophobicContact CB-CZ 4.3Å; F201-F301 HydrophobicContact CD2-CE1 4.42Å; F201-F301 HydrophobicContact CD2-CE2 4.1Å; F201-F301 AromaticContact CD2-CZ 3.84Å; F201-F301 HydrophobicContact CD2-CZ 3.84Å; F201-F301 HydrophobicContact CE2-CZ 4.5Å; F201-F301 HydrophobicContact CG-CE2 4.28Å; F201-F301 HydrophobicContact CG-CZ 4.24Å; F201-A410 HydrophobicContact CD1-CB 3.92Å; F201-A410 HydrophobicContact CD2-CB 4.21Å; F201-A410 HydrophobicContact CE1-CB 3.56Å; F201-A410 HydrophobicContact CE2-CB 3.81Å; F201-A410 HydrophobicContact CG-CB 4.27Å; F201-A410 HydrophobicContact CZ-CB 3.51Å; F201-P417 HydrophobicContact CD2-CB 4.05Å; F201-P417 HydrophobicContact CD2-CG 3.87Å; F201-P417 HydrophobicContact CE2-CB 3.59Å; F201-P417 HydrophobicContact CE2-CG 3.71Å | ||
| 202 | G | 96.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | trans | 86 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D200 N204 F301 | D200-G202 PolarHBondContact OD1-N 2.97Å; G202-N204 VanDerWaalsContact C-N 3.27Å; G202-N204 PolarHBondContact O-N 2.75Å; G202-F301 WeakPolarHBondContact O-CB 3.49Å; G202-F301 PolarHBondContact O-N 3.25Å; G202-F301 VanDerWaalsContact O-N 3.11Å | ||
| 203 | P | 95.8 | Very high | 96.2 | Very high | 70 Ų | 70 | 25.1 Ų | 25.1 | 46% | 0.455 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -7.4 | -173.8 | 32.6 | -33.6 | 0 | 0 | 0 | 113.5 | E300 | P203-E300 WeakPolarHBondContact O-CG 3.48Š|
| 204 | N | 93.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 30.1 Ų | 30.1 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -144.1 | 58.9 | -173.2 | -76.2 | -69.6 | 0 | 0 | 0 | 111.3 | G202 | G202-N204 VanDerWaalsContact C-N 3.27Å; G202-N204 PolarHBondContact O-N 2.75Å |
| 205 | H | 96.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 128.1 | 175.6 | -171.7 | 76.9 | 0 | 0 | 0 | 110.5 | F201 K298 M299 F301 | F201-H205 HydrophobicContact CB-CB 3.97Å; F201-H205 AromaticContact CD2-CE1 3.84Å; F201-H205 AromaticContact CD2-ND1 3.93Å; F201-H205 AromaticContact CD2-NE2 3.99Å; H205-K298 CarbonylContact O-C 3.59Å; H205-K298 WeakPolarHBondContact O-CA 3.36Å; H205-M299 WeakPolarHBondContact CB-O 3.37Å; H205-M299 PolarHBondContact N-O 2.87Å; H205-M299 PolarHBondContact O-N 3.02Å; H205-F301 HydrophobicContact CB-CD2 4.24Å; H205-F301 HydrophobicContact CB-CE2 3.88Å |
| 206 | V | 97 | Very high | 94.9 | Very high | 61 Ų | 61 | 34.6 Ų | 34.6 | 37% | 0.37 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.8 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | P296 K298 G413 | V206-P296 HydrophobicContact CG1-CB 3.9Å; V206-K298 HydrophobicContact CG2-CG 4.41Å; V206-G413 WeakPolarHBondContact O-CA 3.05Å |
| 207 | I | 96.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.6 | 175.6 | -56.3 | 165.5 | 0 | 0 | 0 | 107.4 | D209 P296 T297 M299 G413 | I207-D209 VanDerWaalsContact CG2-O 3.27Å; I207-D209 WeakPolarHBondContact CG2-O 3.25Å; I207-P296 CarbonylContact O-C 3.48Å; I207-P296 VanDerWaalsContact O-CA 3.25Å; I207-P296 WeakPolarHBondContact O-CA 3.18Å; I207-T297 PolarHBondContact N-O 2.82Å; I207-T297 PolarHBondContact O-N 2.89Å; I207-M299 HydrophobicContact CD1-CB 3.97Å; I207-M299 HydrophobicContact CD1-CE 4.24Å; I207-M299 HydrophobicContact CD1-SD 4.23Å; I207-G413 CarbonylContact C-O 3.55Å |
| 208 | N | 94 | Very high | 94.4 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -91.5 | -22.7 | -178.2 | -54.2 | -84.7 | 0 | 0 | 0 | 112 | R48 G413 I414 | R48-N208 PolarHBondContact NH1-ND2 3.49Å; N208-G413 PolarHBondContact N-O 3.43Å; N208-G413 PolarHBondContact ND2-O 2.67Å; N208-I414 HydrophobicContact CB-CD1 4.36Å |
| 209 | D | 94.2 | Very high | 94.1 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 17% | 0.166 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -142.4 | 118.2 | 173.4 | -177.2 | -23.9 | 0 | 0 | 0 | 107.3 | I207 N211 G212 K294 I414 F415 | I207-D209 VanDerWaalsContact CG2-O 3.27Å; I207-D209 WeakPolarHBondContact CG2-O 3.25Å; D209-N211 PolarHBondContact OD1-N 2.91Å; D209-N211 PolarHBondContact OD1-OD1 2.82Å; D209-G212 PolarHBondContact OD1-N 2.89Å; D209-K294 HydrophobicContact CB-CD 4.04Å; D209-K294 VanDerWaalsContact OD1-CD 3.3Å; D209-K294 WeakPolarHBondContact OD1-CD 3.25Å; D209-K294 IonicContact OD1-NZ 2.78Å; D209-K294 PolarHBondContact OD1-NZ 2.99Å; D209-K294 WeakPolarHBondContact OD2-CD 3.41Å; D209-K294 IonicContact OD2-NZ 2.75Å; D209-K294 PolarHBondContact OD2-NZ 3.44Å; D209-I414 HydrophobicContact CB-CD1 3.67Å; D209-I414 HydrophobicContact CB-CG2 4.38Å; D209-F415 WeakPolarHBondContact O-CA 3.38Å; D209-F415 PolarHBondContact O-N 2.78Å |
| 210 | S | 93.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -86.4 | -19.3 | -174.8 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | T416 | S210-T416 PolarHBondContact O-N 3.25Å; S210-T416 VanDerWaalsContact O-N 3.11Å; S210-T416 PolarHBondContact O-OG1 2.83Å |
| 211 | N | 92.5 | Very high | 93.5 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 22% | 0.219 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -136.7 | -13.4 | -166.7 | 64.1 | 17.1 | 0 | 0 | 0 | 115 | D209 E213 K294 A953 L954 | D209-N211 PolarHBondContact OD1-N 2.91Å; D209-N211 PolarHBondContact OD1-OD1 2.82Å; N211-E213 HydrophobicContact CB-CG 4.43Å; N211-E213 PolarHBondContact O-N 2.83Å; N211-E213 VanDerWaalsContact O-N 3.15Å; N211-E213 PolarHBondContact OD1-N 3.47Å; N211-E213 VanDerWaalsContact OD1-N 3.09Å; N211-K294 WeakPolarHBondContact OD1-CE 3.47Å; N211-K294 PolarHBondContact OD1-NZ 2.65Å; N211-A953 VanDerWaalsContact O-CB 3.29Å; N211-A953 WeakPolarHBondContact O-CB 3.35Å; N211-L954 HydrophobicContact CB-CD2 3.52Å; N211-L954 HydrophobicContact CB-CG 4.47Å |
| 212 | G | 90.8 | Very high | 93.3 | Very high | 27 Ų | 27 | 51 Ų | 51 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | trans | 71.3 | -2.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D209 F415 | D209-G212 PolarHBondContact OD1-N 2.89Å; G212-F415 VanDerWaalsContact CA-CE1 3.43Å | ||
| 213 | E | 91.2 | Very high | 93.3 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 143.5 | -179.1 | -61.8 | -58.5 | 147.4 | 0 | 0 | 110.5 | N211 C215 K294 K605 | N211-E213 HydrophobicContact CB-CG 4.43Å; N211-E213 PolarHBondContact O-N 2.83Å; N211-E213 VanDerWaalsContact O-N 3.15Å; N211-E213 PolarHBondContact OD1-N 3.47Å; N211-E213 VanDerWaalsContact OD1-N 3.09Å; E213-C215 PolarHBondContact O-N 3.39Å; E213-K294 VanDerWaalsContact O-CE 3.23Å; E213-K294 WeakPolarHBondContact O-CE 3.34Å; E213-K294 PolarHBondContact O-NZ 3.04Å; E213-K605 VanDerWaalsContact CD-NZ 3.27Å; E213-K605 WeakPolarHBondContact OE1-CE 3.48Å; E213-K605 IonicContact OE1-NZ 3.39Å; E213-K605 PolarHBondContact OE1-NZ 3.48Å; E213-K605 IonicContact OE2-NZ 3.42Å; E213-K605 PolarHBondContact OE2-NZ 2.95Å |
| 214 | P | 87.3 | Confident | 93.3 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 137.4 | 172.8 | -23.2 | 33.7 | 0 | 0 | 0 | 111.1 | T216 | P214-T216 PolarHBondContact O-N 2.8Š|
| 215 | C | 90.8 | Very high | 93.3 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 129.6 | 172.8 | -72.5 | 0 | 0 | 0 | 0 | 110.3 | E213 Q292 | E213-C215 PolarHBondContact O-N 3.39Å; C215-Q292 HydrophobicContact CB-CB 4.17Å; C215-Q292 WeakPolarHBondContact CB-O 3.31Å; C215-Q292 PolarHBondContact SG-O 3.36Å |
| 216 | T | 91.7 | Very high | 93 | Very high | 43 Ų | 43 | 53 Ų | 53 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 142.6 | 175.1 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | P214 L240 K291 Q292 | P214-T216 PolarHBondContact O-N 2.8Å; T216-L240 WeakPolarHBondContact OG1-CD2 3.4Å; T216-K291 WeakPolarHBondContact O-CA 3.46Å; T216-Q292 VanDerWaalsContact N-OE1 3.16Å; T216-Q292 PolarHBondContact O-N 3.16Å; T216-Q292 WeakPolarHBondContact OG1-CB 3.35Å; T216-Q292 PolarHBondContact OG1-OE1 3.38Å; T216-Q292 VanDerWaalsContact OG1-OE1 3.13Å |
| 217 | E | 92.3 | Very high | 92.9 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.4 | 172.8 | -174.3 | 172.1 | -104.5 | 0 | 0 | 108.8 | V290 K291 | E217-V290 VanDerWaalsContact CA-O 3.3Å; E217-V290 WeakPolarHBondContact CA-O 3.43Å; E217-K291 HydrophobicContact CG-CB 4.31Å |
| 218 | V | 92.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.139 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.7 | 179.5 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | T232 H238 K289 V290 | V218-T232 HydrophobicContact CB-CG2 4.41Å; V218-T232 HydrophobicContact CG2-CG2 3.76Å; V218-H238 HydrophobicContact CG2-CB 4.11Å; V218-K289 WeakPolarHBondContact O-CA 3.35Å; V218-V290 HydrophobicContact CG2-CG1 3.35Å; V218-V290 PolarHBondContact N-O 2.93Å; V218-V290 PolarHBondContact O-N 2.88Å |
| 219 | L | 92.6 | Very high | 92.9 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 150.5 | 174.5 | -61.8 | 176.8 | 0 | 0 | 0 | 110.9 | T232 L233 K289 | L219-T232 WeakPolarHBondContact O-CA 3.4Å; L219-L233 HydrophobicContact CB-CB 3.92Å; L219-L233 HydrophobicContact CB-CD2 3.98Å; L219-L233 HydrophobicContact CD1-CD2 3.96Å; L219-L233 PolarHBondContact O-N 2.68Å; L219-K289 HydrophobicContact CD2-CB 4.16Å |
| 220 | L | 93.9 | Very high | 93 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142.9 | -174.6 | -55.8 | -177.3 | 0 | 0 | 0 | 112 | I223 V230 F248 G288 V290 | L220-I223 HydrophobicContact CD1-CD1 3.81Å; L220-I223 HydrophobicContact CD1-CG1 4.23Å; L220-V230 HydrophobicContact CD1-CG1 4.05Å; L220-V230 HydrophobicContact CD2-CG1 3.43Å; L220-V230 VanDerWaalsContact CD2-CG1 3.43Å; L220-V230 HydrophobicContact CG-CG1 4.3Å; L220-F248 HydrophobicContact CD1-CD1 3.7Å; L220-F248 HydrophobicContact CD1-CE1 3.83Å; L220-G288 WeakPolarHBondContact CB-O 3.46Å; L220-G288 PolarHBondContact N-O 3Å; L220-V290 HydrophobicContact CD1-CB 4.37Å; L220-V290 HydrophobicContact CD2-CB 4.12Å; L220-V290 HydrophobicContact CD2-CG1 3.67Å; L220-V290 HydrophobicContact CG-CG1 4.5Å |
| 221 | E | 92 | Very high | 93.2 | Very high | 102 Ų | 102 | 51 Ų | 51 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -44.1 | 171.7 | -172.7 | 172.2 | -175 | 0 | 0 | 111.7 | T231 Y284 | E221-T231 PolarHBondContact N-O 3.45Å; E221-Y284 WeakPolarHBondContact O-CE1 3.38Å; E221-Y284 PolarHBondContact O-OH 3.36Å; E221-Y284 VanDerWaalsContact O-OH 3.06Å |
| 222 | H | 94 | Very high | 93.3 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 147.5 | -175.2 | -171.8 | 61.8 | 0 | 0 | 0 | 112 | T231 Y284 | H222-T231 PolarHBondContact N-O 2.71Å; H222-T231 PolarHBondContact O-N 2.72Å; H222-Y284 HydrophobicContact CB-CE1 4.49Å; H222-Y284 AromaticContact CE1-CD1 3.99Å; H222-Y284 AromaticContact ND1-CD1 3.39Å; H222-Y284 WeakPolarHBondContact ND1-CD1 3.4Å; H222-Y284 AromaticContact ND1-CE1 3.78Å |
| 223 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 114.7 | 171.1 | -53.3 | 178.9 | 0 | 0 | 0 | 108 | L220 E229 V230 F248 V251 M254 L257 L278 Y284 | L220-I223 HydrophobicContact CD1-CD1 3.81Å; L220-I223 HydrophobicContact CD1-CG1 4.23Å; I223-E229 CarbonylContact C-O 3.6Å; I223-E229 WeakPolarHBondContact CA-O 3.47Å; I223-V230 HydrophobicContact CG1-CG1 4.34Å; I223-V230 HydrophobicContact CG1-CG2 4.39Å; I223-V230 HydrophobicContact CG2-CG2 4.2Å; I223-F248 HydrophobicContact CD1-CD1 4.35Å; I223-F248 HydrophobicContact CD1-CE1 4.33Å; I223-V251 HydrophobicContact CD1-CG1 3.95Å; I223-V251 HydrophobicContact CD1-CG2 4.14Å; I223-M254 HydrophobicContact CG2-CE 4.1Å; I223-M254 HydrophobicContact CG2-SD 4.06Å; I223-L257 HydrophobicContact CD1-CD2 3.61Å; I223-L278 HydrophobicContact CG2-CD1 3.67Å; I223-Y284 HydrophobicContact CB-CD2 3.82Å; I223-Y284 HydrophobicContact CB-CE2 4.46Å; I223-Y284 HydrophobicContact CB-CG 4.16Å; I223-Y284 HydrophobicContact CD1-CD2 4Å; I223-Y284 HydrophobicContact CD1-CE2 4.19Å; I223-Y284 HydrophobicContact CG1-CD2 3.81Å; I223-Y284 HydrophobicContact CG1-CE2 3.99Å; I223-Y284 VanDerWaalsContact O-CB 3.3Å; I223-Y284 WeakPolarHBondContact O-CB 3.5Å |
| 224 | D | 95.3 | Very high | 93 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | trans | -84.1 | 116.9 | 176.6 | -178.7 | -70.6 | 0 | 0 | 0 | 109.8 | A226 T227 G228 E229 | D224-A226 VanDerWaalsContact C-N 3.35Å; D224-A226 PolarHBondContact O-N 2.84Å; D224-A226 PolarHBondContact OD1-N 2.84Å; D224-T227 VanDerWaalsContact CB-OG1 3.31Å; D224-T227 WeakPolarHBondContact CB-OG1 3.35Å; D224-T227 WeakPolarHBondContact OD1-CB 3.29Å; D224-T227 PolarHBondContact OD1-N 2.94Å; D224-T227 PolarHBondContact OD1-OG1 2.79Å; D224-G228 VanDerWaalsContact O-CA 3.28Å; D224-G228 WeakPolarHBondContact O-CA 3.43Å; D224-G228 PolarHBondContact O-N 3.39Å; D224-E229 HydrophobicContact CB-CB 4.34Å; D224-E229 PolarHBondContact N-O 2.87Å | ||
| 225 | R | 94.1 | Very high | 93 | Very high | 89 Ų | 89 | 50.8 Ų | 50.8 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -35.6 | -176.8 | -178.1 | 176.2 | 62.8 | 150.2 | 3.3 | 113.4 | M254 L278 F281 E283 | R225-M254 HydrophobicContact CB-CE 3.98Å; R225-M254 HydrophobicContact CG-CE 4.31Å; R225-L278 WeakPolarHBondContact CG-O 3.4Å; R225-F281 WeakPolarHBondContact CD-O 3.36Å; R225-F281 PolarHBondContact NH1-O 2.84Å; R225-E283 IonicContact CZ-OE1 2.87Å; R225-E283 VanDerWaalsContact NE-CD 3.33Å; R225-E283 IonicContact NE-OE1 3.52Å; R225-E283 PolarHBondContact NE-OE1 2.85Å; R225-E283 IonicContact NE-OE2 3.6Å; R225-E283 IonicContact NH2-OE1 3.95Å; R225-E283 PolarHBondContact NH2-OE1 3.36Å |
| 226 | A | 91.4 | Very high | 92.9 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -40.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D224 | D224-A226 VanDerWaalsContact C-N 3.35Å; D224-A226 PolarHBondContact O-N 2.84Å; D224-A226 PolarHBondContact OD1-N 2.84Å |
| 227 | T | 93.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -21.8 | -175.6 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | D224 E229 | D224-T227 VanDerWaalsContact CB-OG1 3.31Å; D224-T227 WeakPolarHBondContact CB-OG1 3.35Å; D224-T227 WeakPolarHBondContact OD1-CB 3.29Å; D224-T227 PolarHBondContact OD1-N 2.94Å; D224-T227 PolarHBondContact OD1-OG1 2.79Å; T227-E229 WeakPolarHBondContact OG1-CB 3.38Å; T227-E229 WeakPolarHBondContact OG1-CG 3.41Å; T227-E229 PolarHBondContact OG1-N 2.55Å |
| 228 | G | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | 77.2 | 6.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D224 V230 A274 V275 | D224-G228 VanDerWaalsContact O-CA 3.28Å; D224-G228 WeakPolarHBondContact O-CA 3.43Å; D224-G228 PolarHBondContact O-N 3.39Å; G228-V230 PolarHBondContact O-N 2.89Å; G228-A274 VanDerWaalsContact O-CA 3.25Å; G228-A274 WeakPolarHBondContact O-CA 3.32Å; G228-V275 WeakPolarHBondContact CA-O 3.44Å; G228-V275 PolarHBondContact O-N 2.76Å | ||
| 229 | E | 96.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.1 | 179.8 | -70.1 | -172 | 177.6 | 0 | 0 | 111.5 | I223 D224 T227 I268 K272 F273 | I223-E229 CarbonylContact C-O 3.6Å; I223-E229 WeakPolarHBondContact CA-O 3.47Å; D224-E229 HydrophobicContact CB-CB 4.34Å; D224-E229 PolarHBondContact N-O 2.87Å; T227-E229 WeakPolarHBondContact OG1-CB 3.38Å; T227-E229 WeakPolarHBondContact OG1-CG 3.41Å; T227-E229 PolarHBondContact OG1-N 2.55Å; E229-I268 HydrophobicContact CG-CD1 3.73Å; E229-K272 WeakPolarHBondContact OE2-CD 3.29Å; E229-K272 IonicContact OE2-NZ 3.09Å; E229-K272 PolarHBondContact OE2-NZ 2.87Å; E229-F273 CarbonylContact C-O 3.31Å; E229-F273 WeakPolarHBondContact CA-O 3.32Å |
| 230 | V | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L220 I223 G228 F248 K272 F273 V275 | L220-V230 HydrophobicContact CD1-CG1 4.05Å; L220-V230 HydrophobicContact CD2-CG1 3.43Å; L220-V230 VanDerWaalsContact CD2-CG1 3.43Å; L220-V230 HydrophobicContact CG-CG1 4.3Å; I223-V230 HydrophobicContact CG1-CG1 4.34Å; I223-V230 HydrophobicContact CG1-CG2 4.39Å; I223-V230 HydrophobicContact CG2-CG2 4.2Å; G228-V230 PolarHBondContact O-N 2.89Å; V230-F248 HydrophobicContact CG1-CE1 4.23Å; V230-F248 HydrophobicContact CG2-CE1 4.08Å; V230-F248 HydrophobicContact CG2-CZ 4.04Å; V230-K272 WeakPolarHBondContact O-CA 3.29Å; V230-F273 HydrophobicContact CB-CD1 4.26Å; V230-F273 HydrophobicContact CB-CD2 4.16Å; V230-F273 HydrophobicContact CB-CE1 3.84Å; V230-F273 HydrophobicContact CB-CE2 3.73Å; V230-F273 HydrophobicContact CB-CG 4.41Å; V230-F273 HydrophobicContact CB-CZ 3.55Å; V230-F273 HydrophobicContact CG1-CD1 4.47Å; V230-F273 HydrophobicContact CG1-CE1 3.63Å; V230-F273 HydrophobicContact CG1-CE2 4.07Å; V230-F273 HydrophobicContact CG1-CZ 3.39Å; V230-F273 HydrophobicContact CG2-CD2 4.42Å; V230-F273 HydrophobicContact CG2-CE2 3.85Å; V230-F273 HydrophobicContact CG2-CZ 4.05Å; V230-F273 PolarHBondContact N-O 2.78Å; V230-F273 PolarHBondContact O-N 2.9Å; V230-V275 HydrophobicContact CG2-CG2 4.19Å |
| 231 | T | 96.6 | Very high | 93.4 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.5 | 178.4 | -51.4 | 0 | 0 | 0 | 0 | 109.6 | E221 H222 K272 | E221-T231 PolarHBondContact N-O 3.45Å; H222-T231 PolarHBondContact N-O 2.71Å; H222-T231 PolarHBondContact O-N 2.72Å; T231-K272 VanDerWaalsContact OG1-CE 3.23Å; T231-K272 WeakPolarHBondContact OG1-CE 3.29Å |
| 232 | T | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 151.6 | 178 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | V218 L219 S235 A236 H238 F271 | V218-T232 HydrophobicContact CB-CG2 4.41Å; V218-T232 HydrophobicContact CG2-CG2 3.76Å; L219-T232 WeakPolarHBondContact O-CA 3.4Å; T232-S235 PolarHBondContact O-N 2.91Å; T232-A236 VanDerWaalsContact CB-O 3.32Å; T232-A236 WeakPolarHBondContact CB-O 3.21Å; T232-A236 PolarHBondContact OG1-O 3.29Å; T232-H238 HydrophobicContact CG2-CB 3.95Å; T232-F271 PolarHBondContact N-O 2.89Å; T232-F271 WeakPolarHBondContact OG1-CA 3.26Å; T232-F271 VanDerWaalsContact OG1-CB 3.28Å; T232-F271 WeakPolarHBondContact OG1-CB 3.46Å; T232-F271 PolarHBondContact OG1-O 2.8Å |
| 233 | L | 90.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -61.3 | 135.6 | 178.7 | -173.8 | 72.1 | 0 | 0 | 0 | 112.2 | L219 S235 A236 G746 | L219-L233 HydrophobicContact CB-CB 3.92Å; L219-L233 HydrophobicContact CB-CD2 3.98Å; L219-L233 HydrophobicContact CD1-CD2 3.96Å; L219-L233 PolarHBondContact O-N 2.68Å; L233-S235 PolarHBondContact O-N 3.32Å; L233-A236 VanDerWaalsContact O-CB 3.23Å; L233-A236 WeakPolarHBondContact O-CB 3.5Å; L233-A236 PolarHBondContact O-N 3.09Å; L233-G746 VanDerWaalsContact CD2-C 3.5Å; L233-G746 VanDerWaalsContact CD2-CA 3.4Å |
| 234 | E | 86.2 | Confident | 93.5 | Very high | 138 Ų | 138 | 58.6 Ų | 58.6 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | 54.3 | 28.2 | 175.5 | -68.9 | 170.8 | -165.4 | 0 | 0 | 112.8 | A236 S747 | E234-A236 PolarHBondContact O-N 3.25Å; E234-S747 PolarHBondContact OE1-OG 2.9Å |
| 235 | S | 87.4 | Confident | 93.6 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | 56.3 | 28.6 | -174 | -57 | 0 | 0 | 0 | 0 | 114.3 | T232 L233 | T232-S235 PolarHBondContact O-N 2.91Å; L233-S235 PolarHBondContact O-N 3.32Å |
| 236 | A | 88.9 | Confident | 93.7 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | trans | -59.5 | 138 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T232 L233 E234 H238 | T232-A236 VanDerWaalsContact CB-O 3.32Å; T232-A236 WeakPolarHBondContact CB-O 3.21Å; T232-A236 PolarHBondContact OG1-O 3.29Å; L233-A236 VanDerWaalsContact O-CB 3.23Å; L233-A236 WeakPolarHBondContact O-CB 3.5Å; L233-A236 PolarHBondContact O-N 3.09Å; E234-A236 PolarHBondContact O-N 3.25Å; A236-H238 PolarHBondContact O-N 3.13Å | ||
| 237 | K | 94 | Very high | 94 | Very high | 170 Ų | 170 | 52.8 Ų | 52.8 | 74% | 0.739 | 30% | 0.295 | S | S | * | . | trans | -69.4 | 127.1 | 178.8 | -65 | -177 | -179.1 | 177.7 | 0 | 110.5 | P270 | K237-P270 CarbonylContact C-O 3.46Å; K237-P270 WeakPolarHBondContact CA-O 3.18Å; K237-P270 HydrophobicContact CD-CB 4.45Å; K237-P270 HydrophobicContact CG-CB 4.03Å | ||
| 238 | H | 94.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | trans | -75.9 | -26.8 | -179.2 | 52.4 | 66.2 | 0 | 0 | 0 | 114.3 | V218 T232 A236 L240 K269 P270 F273 | V218-H238 HydrophobicContact CG2-CB 4.11Å; T232-H238 HydrophobicContact CG2-CB 3.95Å; A236-H238 PolarHBondContact O-N 3.13Å; H238-L240 HydrophobicContact CB-CD1 4.14Å; H238-L240 HydrophobicContact CB-CG 4.17Å; H238-L240 PolarHBondContact ND1-N 3.32Å; H238-L240 VanDerWaalsContact ND1-N 3.13Å; H238-L240 PolarHBondContact O-N 2.98Å; H238-L240 VanDerWaalsContact O-N 3.1Å; H238-K269 PolarHBondContact NE2-O 2.88Å; H238-P270 PolarHBondContact CD2-O 3.47Å; H238-P270 PolarHBondContact N-O 3.48Å; H238-P270 PolarHBondContact NE2-O 2.87Å; H238-F273 AromaticContact CD2-CD1 3.81Å | ||
| 239 | G | 93.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | trans | 71.8 | -5 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 240 | L | 95.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | -65.7 | 153.3 | 171.9 | -53.9 | 167.1 | 0 | 0 | 0 | 113.6 | T216 H238 D244 V246 V265 F273 Q292 | T216-L240 WeakPolarHBondContact OG1-CD2 3.4Å; H238-L240 HydrophobicContact CB-CD1 4.14Å; H238-L240 HydrophobicContact CB-CG 4.17Å; H238-L240 PolarHBondContact ND1-N 3.32Å; H238-L240 VanDerWaalsContact ND1-N 3.13Å; H238-L240 PolarHBondContact O-N 2.98Å; H238-L240 VanDerWaalsContact O-N 3.1Å; L240-D244 WeakPolarHBondContact CA-OD2 3.26Å; L240-D244 HydrophobicContact CD2-CB 4.41Å; L240-V246 HydrophobicContact CD1-CG1 3.89Å; L240-V246 HydrophobicContact CD2-CG1 3.81Å; L240-V265 HydrophobicContact CB-CG1 4.25Å; L240-V265 HydrophobicContact CD1-CG1 4.22Å; L240-V265 HydrophobicContact CD1-CG2 4.2Å; L240-F273 HydrophobicContact CD1-CD1 3.99Å; L240-F273 HydrophobicContact CD1-CD2 4.41Å; L240-F273 HydrophobicContact CD1-CE1 3.98Å; L240-F273 HydrophobicContact CD1-CE2 4.39Å; L240-F273 HydrophobicContact CD1-CG 4.22Å; L240-F273 HydrophobicContact CD1-CZ 4.19Å; L240-Q292 HydrophobicContact CD2-CB 3.91Å; L240-Q292 HydrophobicContact CD2-CG 4.01Å | ||
| 241 | E | 95.1 | Very high | 93.7 | Very high | 144 Ų | 144 | 51.1 Ų | 51.1 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | trans | -114.7 | 162.8 | 173.4 | -64.6 | -178.1 | -172.9 | 0 | 0 | 112.2 | G243 D244 | E241-G243 PolarHBondContact O-N 3.24Å; E241-D244 PolarHBondContact N-OD2 2.96Å; E241-D244 WeakPolarHBondContact O-CB 3.44Å; E241-D244 PolarHBondContact O-N 3.05Å | ||
| 242 | D | 96.2 | Very high | 93.5 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 126.5 | 174.6 | -82.6 | -51.5 | 0 | 0 | 0 | 111.1 | R266 V267 | D242-R266 VanDerWaalsContact OD1-CA 3.31Å; D242-R266 WeakPolarHBondContact OD1-CA 3.25Å; D242-V267 PolarHBondContact OD1-N 3.25Å |
| 243 | G | 93.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -3.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E241 Y245 V265 | E241-G243 PolarHBondContact O-N 3.24Å; G243-Y245 WeakPolarHBondContact O-CD2 3.37Å; G243-Y245 WeakPolarHBondContact O-CE2 3.48Å; G243-V265 PolarHBondContact N-O 2.95Å |
| 244 | D | 95.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | trans | -58.7 | 161.9 | 165.8 | -88.4 | -34.2 | 0 | 0 | 0 | 111.9 | L240 E241 K264 V265 Q292 | L240-D244 WeakPolarHBondContact CA-OD2 3.26Å; L240-D244 HydrophobicContact CD2-CB 4.41Å; E241-D244 PolarHBondContact N-OD2 2.96Å; E241-D244 WeakPolarHBondContact O-CB 3.44Å; E241-D244 PolarHBondContact O-N 3.05Å; D244-K264 CarbonylContact O-C 3.35Å; D244-K264 WeakPolarHBondContact O-CA 3.11Å; D244-V265 HydrophobicContact CB-CB 4.22Å; D244-V265 HydrophobicContact CB-CG2 4.26Å; D244-V265 WeakPolarHBondContact O-CB 3.12Å; D244-V265 WeakPolarHBondContact O-CG2 3.24Å; D244-V265 PolarHBondContact O-N 3.33Å; D244-Q292 PolarHBondContact OD1-NE2 3.06Å; D244-Q292 PolarHBondContact OD2-NE2 2.87Å; D244-Q292 VanDerWaalsContact OD2-NE2 3.13Å | ||
| 245 | Y | 96.6 | Very high | 94 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.1 | 174.8 | -73 | -102.4 | 0 | 0 | 0 | 110.6 | G243 P262 K263 K264 Q292 V293 M295 | G243-Y245 WeakPolarHBondContact O-CD2 3.37Å; G243-Y245 WeakPolarHBondContact O-CE2 3.48Å; Y245-P262 HydrophobicContact CD1-CB 4.04Å; Y245-K263 CarbonylContact C-O 3.6Å; Y245-K263 VanDerWaalsContact CA-O 3.3Å; Y245-K263 WeakPolarHBondContact CA-O 3.4Å; Y245-K264 HydrophobicContact CD1-CB 4.27Å; Y245-K264 HydrophobicContact CE1-CB 3.84Å; Y245-K264 HydrophobicContact CE1-CG 4.31Å; Y245-K264 HydrophobicContact CE2-CG 4.26Å; Y245-Q292 WeakPolarHBondContact O-CA 3.39Å; Y245-V293 WeakPolarHBondContact O-CG2 3.31Å; Y245-V293 PolarHBondContact O-N 2.96Å; Y245-M295 HydrophobicContact CD1-CG 3.99Å; Y245-M295 HydrophobicContact CD1-SD 4.48Å; Y245-M295 HydrophobicContact CD2-CB 4.27Å; Y245-M295 HydrophobicContact CD2-CG 3.42Å; Y245-M295 VanDerWaalsContact CD2-CG 3.42Å; Y245-M295 HydrophobicContact CE1-CG 4.47Å; Y245-M295 HydrophobicContact CE2-CG 3.99Å; Y245-M295 HydrophobicContact CG-CG 3.43Å; Y245-M295 VanDerWaalsContact CG-CG 3.43Å; Y245-M295 HydrophobicContact CG-SD 4.3Å |
| 246 | V | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 152.6 | -177.8 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | L240 F248 P262 K263 V265 F273 V275 V290 K291 | L240-V246 HydrophobicContact CD1-CG1 3.89Å; L240-V246 HydrophobicContact CD2-CG1 3.81Å; V246-F248 HydrophobicContact CG2-CE2 3.81Å; V246-F248 HydrophobicContact CG2-CZ 4.06Å; V246-P262 CarbonylContact O-C 3.57Å; V246-P262 WeakPolarHBondContact O-CA 3.22Å; V246-K263 HydrophobicContact CG2-CB 4.33Å; V246-K263 PolarHBondContact N-O 2.65Å; V246-K263 PolarHBondContact O-N 2.93Å; V246-V265 HydrophobicContact CB-CG2 4.27Å; V246-V265 HydrophobicContact CG1-CG2 3.61Å; V246-V265 HydrophobicContact CG2-CG2 3.76Å; V246-F273 HydrophobicContact CG2-CE2 4.34Å; V246-V275 HydrophobicContact CG2-CG1 4.16Å; V246-V290 HydrophobicContact CB-CG2 3.42Å; V246-V290 VanDerWaalsContact CB-CG2 3.42Å; V246-V290 HydrophobicContact CG1-CG2 3.74Å; V246-V290 HydrophobicContact CG2-CG2 3.74Å; V246-K291 CarbonylContact C-O 3.58Å; V246-K291 VanDerWaalsContact CA-O 3.29Å; V246-K291 WeakPolarHBondContact CA-O 3.34Å |
| 247 | V | 96.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 51 Ų | 51 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.1 | 168.2 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | P262 V290 K291 V293 | V247-P262 HydrophobicContact CG1-CB 4.37Å; V247-P262 HydrophobicContact CG1-CG 4.06Å; V247-V290 WeakPolarHBondContact O-CA 3.23Å; V247-K291 HydrophobicContact CG2-CB 4.21Å; V247-K291 PolarHBondContact N-O 3.26Å; V247-K291 PolarHBondContact O-N 3.31Å; V247-V293 HydrophobicContact CG1-CG1 4.4Å; V247-V293 HydrophobicContact CG1-CG2 3.95Å; V247-V293 HydrophobicContact CG2-CG1 3.99Å; V247-V293 HydrophobicContact CG2-CG2 4.47Å |
| 248 | F | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 151.8 | -178.4 | -63.8 | -97.9 | 0 | 0 | 0 | 110.9 | L220 I223 V230 V246 V251 L257 N258 N259 K263 F273 V275 K289 V290 | L220-F248 HydrophobicContact CD1-CD1 3.7Å; L220-F248 HydrophobicContact CD1-CE1 3.83Å; I223-F248 HydrophobicContact CD1-CD1 4.35Å; I223-F248 HydrophobicContact CD1-CE1 4.33Å; V230-F248 HydrophobicContact CG1-CE1 4.23Å; V230-F248 HydrophobicContact CG2-CE1 4.08Å; V230-F248 HydrophobicContact CG2-CZ 4.04Å; V246-F248 HydrophobicContact CG2-CE2 3.81Å; V246-F248 HydrophobicContact CG2-CZ 4.06Å; F248-V251 HydrophobicContact CB-CG2 4.1Å; F248-V251 HydrophobicContact CD1-CG2 4.43Å; F248-L257 HydrophobicContact CB-CD2 4.24Å; F248-L257 HydrophobicContact CB-CG 3.8Å; F248-L257 HydrophobicContact CD1-CD2 3.83Å; F248-L257 HydrophobicContact CD1-CG 4.25Å; F248-L257 HydrophobicContact CD2-CD1 3.67Å; F248-L257 HydrophobicContact CD2-CD2 3.97Å; F248-L257 HydrophobicContact CD2-CG 3.64Å; F248-L257 HydrophobicContact CE1-CD2 4.13Å; F248-L257 HydrophobicContact CE2-CD1 4.01Å; F248-L257 HydrophobicContact CE2-CD2 4.27Å; F248-L257 HydrophobicContact CE2-CG 4.28Å; F248-L257 HydrophobicContact CG-CD1 4.21Å; F248-L257 HydrophobicContact CG-CD2 3.75Å; F248-L257 HydrophobicContact CG-CG 3.64Å; F248-L257 HydrophobicContact CZ-CD2 4.35Å; F248-N258 CarbonylContact O-C 3.53Å; F248-N258 WeakPolarHBondContact O-CA 3.2Å; F248-N259 PolarHBondContact O-N 2.92Å; F248-K263 HydrophobicContact CE2-CB 4.42Å; F248-K263 HydrophobicContact CE2-CG 4.38Å; F248-F273 HydrophobicContact CE1-CZ 4.49Å; F248-F273 HydrophobicContact CZ-CE2 4.2Å; F248-F273 HydrophobicContact CZ-CZ 4.41Å; F248-V275 HydrophobicContact CE2-CG1 4.34Å; F248-V275 HydrophobicContact CE2-CG2 4.35Å; F248-V275 HydrophobicContact CZ-CG1 4.19Å; F248-V275 HydrophobicContact CZ-CG2 4.17Å; F248-K289 WeakPolarHBondContact CA-O 3.41Å; F248-V290 HydrophobicContact CD1-CB 4.04Å; F248-V290 HydrophobicContact CD1-CG2 4.1Å; F248-V290 HydrophobicContact CE1-CB 3.96Å; F248-V290 HydrophobicContact CE1-CG2 3.81Å; F248-V290 HydrophobicContact CE2-CG2 4.44Å; F248-V290 HydrophobicContact CZ-CG2 3.99Å |
| 249 | S | 94.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 164.3 | 171.2 | 44 | 0 | 0 | 0 | 0 | 110.2 | V251 N258 G288 K289 | S249-V251 PolarHBondContact O-N 3.03Å; S249-V251 VanDerWaalsContact O-N 3.09Å; S249-N258 WeakPolarHBondContact CA-OD1 3.21Å; S249-G288 CarbonylContact O-C 3.32Å; S249-G288 WeakPolarHBondContact O-CA 3.42Å; S249-K289 PolarHBondContact N-O 2.97Å; S249-K289 PolarHBondContact O-N 3.4Å; S249-K289 WeakPolarHBondContact OG-CE 3.37Å; S249-K289 WeakPolarHBondContact OG-CG 3.34Å |
| 250 | E | 91.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.4 | 14.3 | 179.8 | -54.8 | 177.4 | -152.5 | 0 | 0 | 115.2 | K252 N258 G288 K289 R749 | E250-K252 PolarHBondContact O-N 2.92Å; E250-N258 PolarHBondContact N-OD1 3.28Å; E250-N258 VanDerWaalsContact N-OD1 3.1Å; E250-G288 WeakPolarHBondContact O-CA 3.49Å; E250-G288 PolarHBondContact O-N 3.2Å; E250-G288 VanDerWaalsContact O-N 3.1Å; E250-K289 HydrophobicContact CG-CD 4.47Å; E250-K289 WeakPolarHBondContact OE1-CE 3.23Å; E250-K289 IonicContact OE1-NZ 2.74Å; E250-K289 PolarHBondContact OE1-NZ 3.03Å; E250-R749 IonicContact OE1-NH1 2.96Å; E250-R749 IonicContact OE1-NH2 2.73Å; E250-R749 IonicContact OE2-CZ 2.74Å; E250-R749 IonicContact OE2-NH1 3.61Å; E250-R749 PolarHBondContact OE2-NH1 3.15Å; E250-R749 IonicContact OE2-NH2 3.76Å; E250-R749 PolarHBondContact OE2-NH2 3.08Å |
| 251 | V | 94.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 118.5 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | I223 F248 S249 M254 N258 Y284 | I223-V251 HydrophobicContact CD1-CG1 3.95Å; I223-V251 HydrophobicContact CD1-CG2 4.14Å; F248-V251 HydrophobicContact CB-CG2 4.1Å; F248-V251 HydrophobicContact CD1-CG2 4.43Å; S249-V251 PolarHBondContact O-N 3.03Å; S249-V251 VanDerWaalsContact O-N 3.09Å; V251-M254 HydrophobicContact CG1-CB 3.97Å; V251-N258 WeakPolarHBondContact CB-OD1 3.46Å; V251-N258 PolarHBondContact N-OD1 3.5Å; V251-N258 PolarHBondContact O-ND2 2.93Å; V251-Y284 HydrophobicContact CG1-CD2 3.92Å; V251-Y284 HydrophobicContact CG1-CE2 4.12Å |
| 252 | K | 92.1 | Very high | 94.2 | Very high | 114 Ų | 114 | 51.8 Ų | 51.8 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 144.1 | 175.1 | -56.5 | -173.1 | -164.8 | 165.9 | 0 | 111 | E250 M254 I285 E286 | E250-K252 PolarHBondContact O-N 2.92Å; K252-M254 VanDerWaalsContact C-N 3.27Å; K252-M254 PolarHBondContact O-N 2.91Å; K252-I285 PolarHBondContact O-N 2.88Å; K252-E286 HydrophobicContact CB-CG 4.18Å; K252-E286 WeakPolarHBondContact CB-O 3.25Å; K252-E286 HydrophobicContact CD-CG 3.86Å; K252-E286 HydrophobicContact CG-CG 4.41Å; K252-E286 PolarHBondContact N-O 2.89Å; K252-E286 IonicContact NZ-OE1 3.23Å; K252-E286 PolarHBondContact NZ-OE1 2.98Å |
| 253 | G | 92.7 | Very high | 94.2 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 89.6 | -52.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V255 S282 E283 | G253-V255 PolarHBondContact O-N 3.31Å; G253-S282 WeakPolarHBondContact O-CB 3.42Å; G253-E283 CarbonylContact C-O 3.36Å; G253-E283 WeakPolarHBondContact CA-O 3.28Å |
| 254 | M | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -98.6 | 63.6 | 177.8 | -167.5 | -178.1 | -69.7 | 0 | 0 | 111 | I223 R225 V251 K252 E256 L257 L278 F281 S282 E283 | I223-M254 HydrophobicContact CG2-CE 4.1Å; I223-M254 HydrophobicContact CG2-SD 4.06Å; R225-M254 HydrophobicContact CB-CE 3.98Å; R225-M254 HydrophobicContact CG-CE 4.31Å; V251-M254 HydrophobicContact CG1-CB 3.97Å; K252-M254 VanDerWaalsContact C-N 3.27Å; K252-M254 PolarHBondContact O-N 2.91Å; M254-E256 VanDerWaalsContact C-N 3.27Å; M254-E256 PolarHBondContact O-N 2.88Å; M254-L257 HydrophobicContact CG-CB 4.09Å; M254-L257 WeakPolarHBondContact O-CB 3.36Å; M254-L257 PolarHBondContact O-N 3.16Å; M254-L257 HydrophobicContact SD-CB 4.26Å; M254-L257 HydrophobicContact SD-CD2 3.84Å; M254-L278 HydrophobicContact SD-CD1 4.17Å; M254-F281 HydrophobicContact CG-CB 3.79Å; M254-F281 HydrophobicContact CG-CD2 3.89Å; M254-F281 HydrophobicContact CG-CG 4.38Å; M254-F281 HydrophobicContact SD-CB 4.17Å; M254-F281 HydrophobicContact SD-CD2 4.11Å; M254-S282 WeakPolarHBondContact CB-O 3.43Å; M254-S282 VanDerWaalsContact CE-O 3.26Å; M254-S282 WeakPolarHBondContact CE-O 3.31Å; M254-S282 WeakPolarHBondContact CG-O 3.35Å; M254-E283 PolarHBondContact N-O 3.13Å | ||
| 255 | V | 93.9 | Very high | 94.4 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -68.4 | -24.3 | -169.1 | -63.2 | 0 | 0 | 0 | 0 | 114 | G253 L257 N258 | G253-V255 PolarHBondContact O-N 3.31Å; V255-L257 PolarHBondContact O-N 2.88Å; V255-N258 WeakPolarHBondContact O-CB 3.49Å; V255-N258 PolarHBondContact O-N 2.86Å; V255-N258 VanDerWaalsContact O-N 3.14Å; V255-N258 PolarHBondContact O-ND2 2.87Å |
| 256 | E | 94.2 | Very high | 94.5 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -65.8 | -19.6 | 178.7 | -48.9 | 92.1 | 147.6 | 0 | 0 | 112.3 | M254 F281 S282 | M254-E256 VanDerWaalsContact C-N 3.27Å; M254-E256 PolarHBondContact O-N 2.88Å; E256-F281 HydrophobicContact CB-CD2 3.85Å; E256-F281 HydrophobicContact CB-CE2 3.89Å; E256-F281 HydrophobicContact CB-CG 4.16Å; E256-F281 HydrophobicContact CB-CZ 4.25Å; E256-S282 WeakPolarHBondContact OE1-CB 3.24Å; E256-S282 PolarHBondContact OE1-N 3.36Å; E256-S282 VanDerWaalsContact OE1-N 3.07Å; E256-S282 PolarHBondContact OE1-OG 3.12Å; E256-S282 PolarHBondContact OE2-N 3.13Å |
| 257 | L | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -79.1 | -24.2 | 177 | -166.3 | 60.7 | 0 | 0 | 0 | 112.3 | I223 F248 M254 V255 N259 C260 L278 F281 | I223-L257 HydrophobicContact CD1-CD2 3.61Å; F248-L257 HydrophobicContact CB-CD2 4.24Å; F248-L257 HydrophobicContact CB-CG 3.8Å; F248-L257 HydrophobicContact CD1-CD2 3.83Å; F248-L257 HydrophobicContact CD1-CG 4.25Å; F248-L257 HydrophobicContact CD2-CD1 3.67Å; F248-L257 HydrophobicContact CD2-CD2 3.97Å; F248-L257 HydrophobicContact CD2-CG 3.64Å; F248-L257 HydrophobicContact CE1-CD2 4.13Å; F248-L257 HydrophobicContact CE2-CD1 4.01Å; F248-L257 HydrophobicContact CE2-CD2 4.27Å; F248-L257 HydrophobicContact CE2-CG 4.28Å; F248-L257 HydrophobicContact CG-CD1 4.21Å; F248-L257 HydrophobicContact CG-CD2 3.75Å; F248-L257 HydrophobicContact CG-CG 3.64Å; F248-L257 HydrophobicContact CZ-CD2 4.35Å; M254-L257 HydrophobicContact CG-CB 4.09Å; M254-L257 WeakPolarHBondContact O-CB 3.36Å; M254-L257 PolarHBondContact O-N 3.16Å; M254-L257 HydrophobicContact SD-CB 4.26Å; M254-L257 HydrophobicContact SD-CD2 3.84Å; V255-L257 PolarHBondContact O-N 2.88Å; L257-N259 PolarHBondContact O-N 2.93Å; L257-C260 PolarHBondContact O-N 2.95Å; L257-C260 PolarHBondContact O-SG 3.3Å; L257-C260 VanDerWaalsContact O-SG 3.41Å; L257-L278 HydrophobicContact CD1-CD2 3.73Å; L257-F281 HydrophobicContact CB-CD2 4.09Å; L257-F281 HydrophobicContact CB-CE2 4Å; L257-F281 HydrophobicContact CD1-CD2 4.44Å; L257-F281 HydrophobicContact CD1-CE2 3.92Å |
| 258 | N | 94.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 126.4 | -179.1 | -66 | -49.8 | 0 | 0 | 0 | 111.2 | F248 S249 E250 V251 V255 C260 | F248-N258 CarbonylContact O-C 3.53Å; F248-N258 WeakPolarHBondContact O-CA 3.2Å; S249-N258 WeakPolarHBondContact CA-OD1 3.21Å; E250-N258 PolarHBondContact N-OD1 3.28Å; E250-N258 VanDerWaalsContact N-OD1 3.1Å; V251-N258 WeakPolarHBondContact CB-OD1 3.46Å; V251-N258 PolarHBondContact N-OD1 3.5Å; V251-N258 PolarHBondContact O-ND2 2.93Å; V255-N258 WeakPolarHBondContact O-CB 3.49Å; V255-N258 PolarHBondContact O-N 2.86Å; V255-N258 VanDerWaalsContact O-N 3.14Å; V255-N258 PolarHBondContact O-ND2 2.87Å; N258-C260 PolarHBondContact O-N 2.9Å |
| 259 | N | 88.8 | Confident | 94.5 | Very high | 133 Ų | 133 | 62.8 Ų | 62.8 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 30.5 | 179.6 | -54 | -49.5 | 0 | 0 | 0 | 113.7 | F248 L257 | F248-N259 PolarHBondContact O-N 2.92Å; L257-N259 PolarHBondContact O-N 2.93Å |
| 260 | C | 90.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 65.4 Ų | 65.4 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 172 | 172.8 | 76 | 0 | 0 | 0 | 0 | 111.6 | L257 N258 | L257-C260 PolarHBondContact O-N 2.95Å; L257-C260 PolarHBondContact O-SG 3.3Å; L257-C260 VanDerWaalsContact O-SG 3.41Å; N258-C260 PolarHBondContact O-N 2.9Å |
| 261 | E | 93.5 | Very high | 94.8 | Very high | 162 Ų | 162 | 65 Ų | 65 | 76% | 0.757 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -54 | 143.1 | 169.3 | -71.4 | -64.7 | 154.1 | 0 | 0 | 111.3 | K263 | E261-K263 PolarHBondContact O-N 2.83Š|
| 262 | P | 95.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 67.1 Ų | 67.1 | 26% | 0.26 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 128.8 | -177.7 | -28.3 | 35.3 | 0 | 0 | 0 | 113.2 | Y245 V246 V247 V293 M295 | Y245-P262 HydrophobicContact CD1-CB 4.04Å; V246-P262 CarbonylContact O-C 3.57Å; V246-P262 WeakPolarHBondContact O-CA 3.22Å; V247-P262 HydrophobicContact CG1-CB 4.37Å; V247-P262 HydrophobicContact CG1-CG 4.06Å; P262-V293 HydrophobicContact CB-CG2 3.82Å; P262-V293 HydrophobicContact CG-CG2 4.02Å; P262-M295 HydrophobicContact CB-SD 4.1Å; P262-M295 HydrophobicContact CG-SD 4.1Å |
| 263 | K | 96 | Very high | 95.2 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.5 | 179.9 | -66.7 | -68.2 | -168.3 | 161 | 0 | 110.4 | Y245 V246 F248 E261 V275 D276 | Y245-K263 CarbonylContact C-O 3.6Å; Y245-K263 VanDerWaalsContact CA-O 3.3Å; Y245-K263 WeakPolarHBondContact CA-O 3.4Å; V246-K263 HydrophobicContact CG2-CB 4.33Å; V246-K263 PolarHBondContact N-O 2.65Å; V246-K263 PolarHBondContact O-N 2.93Å; F248-K263 HydrophobicContact CE2-CB 4.42Å; F248-K263 HydrophobicContact CE2-CG 4.38Å; E261-K263 PolarHBondContact O-N 2.83Å; K263-V275 HydrophobicContact CB-CB 4.01Å; K263-V275 HydrophobicContact CB-CG1 3.88Å; K263-D276 PolarHBondContact NZ-O 3.18Å |
| 264 | K | 97 | Very high | 95.4 | Very high | 119 Ų | 119 | 60.9 Ų | 60.9 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135 | 176 | -167.3 | 175.7 | -175.4 | 176.9 | 0 | 110.6 | D244 Y245 | D244-K264 CarbonylContact O-C 3.35Å; D244-K264 WeakPolarHBondContact O-CA 3.11Å; Y245-K264 HydrophobicContact CD1-CB 4.27Å; Y245-K264 HydrophobicContact CE1-CB 3.84Å; Y245-K264 HydrophobicContact CE1-CG 4.31Å; Y245-K264 HydrophobicContact CE2-CG 4.26Å |
| 265 | V | 97 | Very high | 95.5 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138 | -176.4 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | L240 G243 D244 V246 V267 F273 | L240-V265 HydrophobicContact CB-CG1 4.25Å; L240-V265 HydrophobicContact CD1-CG1 4.22Å; L240-V265 HydrophobicContact CD1-CG2 4.2Å; G243-V265 PolarHBondContact N-O 2.95Å; D244-V265 HydrophobicContact CB-CB 4.22Å; D244-V265 HydrophobicContact CB-CG2 4.26Å; D244-V265 WeakPolarHBondContact O-CB 3.12Å; D244-V265 WeakPolarHBondContact O-CG2 3.24Å; D244-V265 PolarHBondContact O-N 3.33Å; V246-V265 HydrophobicContact CB-CG2 4.27Å; V246-V265 HydrophobicContact CG1-CG2 3.61Å; V246-V265 HydrophobicContact CG2-CG2 3.76Å; V265-V267 HydrophobicContact CG1-CG2 4.15Å; V265-F273 HydrophobicContact CG1-CB 3.89Å; V265-F273 HydrophobicContact CG1-CD2 3.97Å; V265-F273 HydrophobicContact CG1-CG 4.15Å; V265-F273 HydrophobicContact CG2-CD2 4.33Å |
| 266 | R | 97.6 | Very high | 95.4 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.6 | 160.9 | -176.6 | 176.4 | 68.2 | -124.1 | -1 | 109.3 | D242 F273 A274 D276 | D242-R266 VanDerWaalsContact OD1-CA 3.31Å; D242-R266 WeakPolarHBondContact OD1-CA 3.25Å; R266-F273 CarbonylContact O-C 3.59Å; R266-F273 WeakPolarHBondContact O-CA 3.3Å; R266-F273 WeakPolarHBondContact O-CB 3.49Å; R266-A274 PolarHBondContact N-O 3.23Å; R266-A274 PolarHBondContact O-N 2.75Å; R266-D276 IonicContact NH1-OD1 3.8Å |
| 267 | V | 97.1 | Very high | 95.2 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.9 | -177.2 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | D242 V265 | D242-V267 PolarHBondContact OD1-N 3.25Å; V265-V267 HydrophobicContact CG1-CG2 4.15Å |
| 268 | I | 96.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 36% | 0.359 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -49.3 | 178.3 | -57.3 | 175.3 | 0 | 0 | 0 | 110.3 | E229 K272 A274 | E229-I268 HydrophobicContact CG-CD1 3.73Å; I268-K272 WeakPolarHBondContact CA-O 3.49Å; I268-K272 HydrophobicContact CB-CG 4.3Å; I268-K272 WeakPolarHBondContact CB-O 3.41Å; I268-K272 HydrophobicContact CD1-CD 4.46Å; I268-K272 HydrophobicContact CD1-CG 4.32Å; I268-K272 HydrophobicContact CG2-CD 4.4Å; I268-K272 PolarHBondContact N-O 3.24Å; I268-A274 HydrophobicContact CD1-CB 3.88Å |
| 269 | K | 96.2 | Very high | 94.8 | Very high | 114 Ų | 114 | 62.6 Ų | 62.6 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 164.7 | 176.1 | -67 | -176.5 | -177.5 | 179.5 | 0 | 108.4 | H238 F271 K272 | H238-K269 PolarHBondContact NE2-O 2.88Å; K269-F271 HydrophobicContact CB-CD1 4.45Å; K269-F271 HydrophobicContact CB-CE1 4.22Å; K269-F271 HydrophobicContact CB-CE2 4.38Å; K269-F271 HydrophobicContact CB-CZ 4.19Å; K269-F271 HydrophobicContact CD-CE1 4.27Å; K269-F271 HydrophobicContact CD-CE2 3.98Å; K269-F271 HydrophobicContact CD-CZ 3.6Å; K269-F271 PolarHBondContact O-N 2.86Å; K269-K272 HydrophobicContact CB-CB 4.23Å; K269-K272 PolarHBondContact N-O 3.47Å; K269-K272 CarbonylContact O-C 3.54Å; K269-K272 PolarHBondContact O-N 3.3Å |
| 270 | P | 96.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -21.3 | 178.7 | -28.8 | 36.3 | 0 | 0 | 0 | 116 | K237 H238 | K237-P270 CarbonylContact C-O 3.46Å; K237-P270 WeakPolarHBondContact CA-O 3.18Å; K237-P270 HydrophobicContact CD-CB 4.45Å; K237-P270 HydrophobicContact CG-CB 4.03Å; H238-P270 PolarHBondContact CD2-O 3.47Å; H238-P270 PolarHBondContact N-O 3.48Å; H238-P270 PolarHBondContact NE2-O 2.87Å |
| 271 | F | 96.2 | Very high | 94.9 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 10.4 | -179.8 | 54.8 | -97 | 0 | 0 | 0 | 113.2 | T232 K269 | T232-F271 PolarHBondContact N-O 2.89Å; T232-F271 WeakPolarHBondContact OG1-CA 3.26Å; T232-F271 VanDerWaalsContact OG1-CB 3.28Å; T232-F271 WeakPolarHBondContact OG1-CB 3.46Å; T232-F271 PolarHBondContact OG1-O 2.8Å; K269-F271 HydrophobicContact CB-CD1 4.45Å; K269-F271 HydrophobicContact CB-CE1 4.22Å; K269-F271 HydrophobicContact CB-CE2 4.38Å; K269-F271 HydrophobicContact CB-CZ 4.19Å; K269-F271 HydrophobicContact CD-CE1 4.27Å; K269-F271 HydrophobicContact CD-CE2 3.98Å; K269-F271 HydrophobicContact CD-CZ 3.6Å; K269-F271 PolarHBondContact O-N 2.86Å |
| 272 | K | 97.4 | Very high | 95 | Very high | 49 Ų | 49 | 59 Ų | 59 | 21% | 0.213 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 130.4 | -177.1 | -177.5 | -179.5 | -83.6 | -152.3 | 0 | 111.5 | E229 V230 T231 I268 K269 | E229-K272 WeakPolarHBondContact OE2-CD 3.29Å; E229-K272 IonicContact OE2-NZ 3.09Å; E229-K272 PolarHBondContact OE2-NZ 2.87Å; V230-K272 WeakPolarHBondContact O-CA 3.29Å; T231-K272 VanDerWaalsContact OG1-CE 3.23Å; T231-K272 WeakPolarHBondContact OG1-CE 3.29Å; I268-K272 WeakPolarHBondContact CA-O 3.49Å; I268-K272 HydrophobicContact CB-CG 4.3Å; I268-K272 WeakPolarHBondContact CB-O 3.41Å; I268-K272 HydrophobicContact CD1-CD 4.46Å; I268-K272 HydrophobicContact CD1-CG 4.32Å; I268-K272 HydrophobicContact CG2-CD 4.4Å; I268-K272 PolarHBondContact N-O 3.24Å; K269-K272 HydrophobicContact CB-CB 4.23Å; K269-K272 PolarHBondContact N-O 3.47Å; K269-K272 CarbonylContact O-C 3.54Å; K269-K272 PolarHBondContact O-N 3.3Å |
| 273 | F | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 172.6 | 175.3 | 63.5 | -84.9 | 0 | 0 | 0 | 110.1 | E229 V230 H238 L240 V246 F248 V265 R266 V275 V290 | E229-F273 CarbonylContact C-O 3.31Å; E229-F273 WeakPolarHBondContact CA-O 3.32Å; V230-F273 HydrophobicContact CB-CD1 4.26Å; V230-F273 HydrophobicContact CB-CD2 4.16Å; V230-F273 HydrophobicContact CB-CE1 3.84Å; V230-F273 HydrophobicContact CB-CE2 3.73Å; V230-F273 HydrophobicContact CB-CG 4.41Å; V230-F273 HydrophobicContact CB-CZ 3.55Å; V230-F273 HydrophobicContact CG1-CD1 4.47Å; V230-F273 HydrophobicContact CG1-CE1 3.63Å; V230-F273 HydrophobicContact CG1-CE2 4.07Å; V230-F273 HydrophobicContact CG1-CZ 3.39Å; V230-F273 HydrophobicContact CG2-CD2 4.42Å; V230-F273 HydrophobicContact CG2-CE2 3.85Å; V230-F273 HydrophobicContact CG2-CZ 4.05Å; V230-F273 PolarHBondContact N-O 2.78Å; V230-F273 PolarHBondContact O-N 2.9Å; H238-F273 AromaticContact CD2-CD1 3.81Å; L240-F273 HydrophobicContact CD1-CD1 3.99Å; L240-F273 HydrophobicContact CD1-CD2 4.41Å; L240-F273 HydrophobicContact CD1-CE1 3.98Å; L240-F273 HydrophobicContact CD1-CE2 4.39Å; L240-F273 HydrophobicContact CD1-CG 4.22Å; L240-F273 HydrophobicContact CD1-CZ 4.19Å; V246-F273 HydrophobicContact CG2-CE2 4.34Å; F248-F273 HydrophobicContact CE1-CZ 4.49Å; F248-F273 HydrophobicContact CZ-CE2 4.2Å; F248-F273 HydrophobicContact CZ-CZ 4.41Å; V265-F273 HydrophobicContact CG1-CB 3.89Å; V265-F273 HydrophobicContact CG1-CD2 3.97Å; V265-F273 HydrophobicContact CG1-CG 4.15Å; V265-F273 HydrophobicContact CG2-CD2 4.33Å; R266-F273 CarbonylContact O-C 3.59Å; R266-F273 WeakPolarHBondContact O-CA 3.3Å; R266-F273 WeakPolarHBondContact O-CB 3.49Å; F273-V275 HydrophobicContact CD2-CG1 4.17Å; F273-V275 HydrophobicContact CE2-CG1 3.97Å; F273-V290 HydrophobicContact CE1-CG1 4.21Å; F273-V290 HydrophobicContact CZ-CB 4.33Å; F273-V290 HydrophobicContact CZ-CG1 3.95Å; F273-V290 HydrophobicContact CZ-CG2 3.97Å |
| 274 | A | 97.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G228 R266 I268 | G228-A274 VanDerWaalsContact O-CA 3.25Å; G228-A274 WeakPolarHBondContact O-CA 3.32Å; R266-A274 PolarHBondContact N-O 3.23Å; R266-A274 PolarHBondContact O-N 2.75Å; I268-A274 HydrophobicContact CD1-CB 3.88Å |
| 275 | V | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.7 | 172.5 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | G228 V230 V246 F248 K263 F273 L278 | G228-V275 WeakPolarHBondContact CA-O 3.44Å; G228-V275 PolarHBondContact O-N 2.76Å; V230-V275 HydrophobicContact CG2-CG2 4.19Å; V246-V275 HydrophobicContact CG2-CG1 4.16Å; F248-V275 HydrophobicContact CE2-CG1 4.34Å; F248-V275 HydrophobicContact CE2-CG2 4.35Å; F248-V275 HydrophobicContact CZ-CG1 4.19Å; F248-V275 HydrophobicContact CZ-CG2 4.17Å; K263-V275 HydrophobicContact CB-CB 4.01Å; K263-V275 HydrophobicContact CB-CG1 3.88Å; F273-V275 HydrophobicContact CD2-CG1 4.17Å; F273-V275 HydrophobicContact CE2-CG1 3.97Å; V275-L278 HydrophobicContact CG2-CD1 3.86Å; V275-L278 HydrophobicContact CG2-CD2 4.22Å; V275-L278 HydrophobicContact CG2-CG 4.14Å |
| 276 | D | 92.4 | Very high | 94.2 | Very high | 111 Ų | 111 | 63.6 Ų | 63.6 | 59% | 0.594 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -86.3 | 157.7 | -176.2 | -64.6 | -35.2 | 0 | 0 | 0 | 113.2 | K263 R266 | K263-D276 PolarHBondContact NZ-O 3.18Å; R266-D276 IonicContact NH1-OD1 3.8Å |
| 277 | G | 89 | Confident | 93.7 | Very high | 50 Ų | 50 | 59 Ų | 59 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | trans | 80.4 | 34.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 278 | L | 92.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | trans | -95.2 | -9 | 175.6 | -55.8 | -166.7 | 0 | 0 | 0 | 114 | I223 R225 M254 L257 V275 N280 F281 | I223-L278 HydrophobicContact CG2-CD1 3.67Å; R225-L278 WeakPolarHBondContact CG-O 3.4Å; M254-L278 HydrophobicContact SD-CD1 4.17Å; L257-L278 HydrophobicContact CD1-CD2 3.73Å; V275-L278 HydrophobicContact CG2-CD1 3.86Å; V275-L278 HydrophobicContact CG2-CD2 4.22Å; V275-L278 HydrophobicContact CG2-CG 4.14Å; L278-N280 PolarHBondContact O-N 3.46Å; L278-F281 HydrophobicContact CD2-CD2 4.07Å; L278-F281 HydrophobicContact CD2-CE2 4.09Å; L278-F281 VanDerWaalsContact O-CB 3.31Å; L278-F281 WeakPolarHBondContact O-CB 3.37Å; L278-F281 PolarHBondContact O-N 2.71Å | ||
| 279 | S | 88.1 | Confident | 93.2 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 56% | 0.559 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.7 | -169.7 | -41.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 280 | N | 89.6 | Confident | 93.1 | Very high | 157 Ų | 157 | 49.9 Ų | 49.9 | 84% | 0.84 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 2.3 | 179.1 | -66.2 | -22.6 | 0 | 0 | 0 | 113.5 | L278 | L278-N280 PolarHBondContact O-N 3.46Š|
| 281 | F | 93.5 | Very high | 93.1 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -88.4 | 163.9 | -176 | -71.1 | 26.5 | 0 | 0 | 0 | 110.2 | R225 M254 E256 L257 L278 | R225-F281 WeakPolarHBondContact CD-O 3.36Å; R225-F281 PolarHBondContact NH1-O 2.84Å; M254-F281 HydrophobicContact CG-CB 3.79Å; M254-F281 HydrophobicContact CG-CD2 3.89Å; M254-F281 HydrophobicContact CG-CG 4.38Å; M254-F281 HydrophobicContact SD-CB 4.17Å; M254-F281 HydrophobicContact SD-CD2 4.11Å; E256-F281 HydrophobicContact CB-CD2 3.85Å; E256-F281 HydrophobicContact CB-CE2 3.89Å; E256-F281 HydrophobicContact CB-CG 4.16Å; E256-F281 HydrophobicContact CB-CZ 4.25Å; L257-F281 HydrophobicContact CB-CD2 4.09Å; L257-F281 HydrophobicContact CB-CE2 4Å; L257-F281 HydrophobicContact CD1-CD2 4.44Å; L257-F281 HydrophobicContact CD1-CE2 3.92Å; L278-F281 HydrophobicContact CD2-CD2 4.07Å; L278-F281 HydrophobicContact CD2-CE2 4.09Å; L278-F281 VanDerWaalsContact O-CB 3.31Å; L278-F281 WeakPolarHBondContact O-CB 3.37Å; L278-F281 PolarHBondContact O-N 2.71Å |
| 282 | S | 94.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 159.6 | 173 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | G253 M254 E256 | G253-S282 WeakPolarHBondContact O-CB 3.42Å; M254-S282 WeakPolarHBondContact CB-O 3.43Å; M254-S282 VanDerWaalsContact CE-O 3.26Å; M254-S282 WeakPolarHBondContact CE-O 3.31Å; M254-S282 WeakPolarHBondContact CG-O 3.35Å; E256-S282 WeakPolarHBondContact OE1-CB 3.24Å; E256-S282 PolarHBondContact OE1-N 3.36Å; E256-S282 VanDerWaalsContact OE1-N 3.07Å; E256-S282 PolarHBondContact OE1-OG 3.12Å; E256-S282 PolarHBondContact OE2-N 3.13Å |
| 283 | E | 94.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 48 Ų | 48 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 142.1 | 179.9 | -75.9 | -68.9 | 175.3 | 0 | 0 | 112 | R225 G253 M254 | R225-E283 IonicContact CZ-OE1 2.87Å; R225-E283 VanDerWaalsContact NE-CD 3.33Å; R225-E283 IonicContact NE-OE1 3.52Å; R225-E283 PolarHBondContact NE-OE1 2.85Å; R225-E283 IonicContact NE-OE2 3.6Å; R225-E283 IonicContact NH2-OE1 3.95Å; R225-E283 PolarHBondContact NH2-OE1 3.36Å; G253-E283 CarbonylContact C-O 3.36Å; G253-E283 WeakPolarHBondContact CA-O 3.28Å; M254-E283 PolarHBondContact N-O 3.13Å |
| 284 | Y | 94.8 | Very high | 92.7 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 11% | 0.106 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 137.9 | 174.7 | 175.9 | -92 | 0 | 0 | 0 | 111.1 | E221 H222 I223 V251 E286 G287 | E221-Y284 WeakPolarHBondContact O-CE1 3.38Å; E221-Y284 PolarHBondContact O-OH 3.36Å; E221-Y284 VanDerWaalsContact O-OH 3.06Å; H222-Y284 HydrophobicContact CB-CE1 4.49Å; H222-Y284 AromaticContact CE1-CD1 3.99Å; H222-Y284 AromaticContact ND1-CD1 3.39Å; H222-Y284 WeakPolarHBondContact ND1-CD1 3.4Å; H222-Y284 AromaticContact ND1-CE1 3.78Å; I223-Y284 HydrophobicContact CB-CD2 3.82Å; I223-Y284 HydrophobicContact CB-CE2 4.46Å; I223-Y284 HydrophobicContact CB-CG 4.16Å; I223-Y284 HydrophobicContact CD1-CD2 4Å; I223-Y284 HydrophobicContact CD1-CE2 4.19Å; I223-Y284 HydrophobicContact CG1-CD2 3.81Å; I223-Y284 HydrophobicContact CG1-CE2 3.99Å; I223-Y284 VanDerWaalsContact O-CB 3.3Å; I223-Y284 WeakPolarHBondContact O-CB 3.5Å; V251-Y284 HydrophobicContact CG1-CD2 3.92Å; V251-Y284 HydrophobicContact CG1-CE2 4.12Å; Y284-E286 WeakPolarHBondContact OH-CA 3.38Å; Y284-G287 WeakPolarHBondContact CE2-O 3.45Å; Y284-G287 PolarHBondContact OH-N 3.11Å; Y284-G287 PolarHBondContact OH-O 2.86Å |
| 285 | I | 91.3 | Very high | 92.5 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | trans | -111.1 | -64.1 | 174.9 | -64.3 | 171.5 | 0 | 0 | 0 | 110.8 | K252 | K252-I285 PolarHBondContact O-N 2.88Š| ||
| 286 | E | 88.9 | Confident | 92.4 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 164.6 | -176.7 | 68.2 | -179.1 | -164.6 | 0 | 0 | 111.8 | K252 Y284 K742 | K252-E286 HydrophobicContact CB-CG 4.18Å; K252-E286 WeakPolarHBondContact CB-O 3.25Å; K252-E286 HydrophobicContact CD-CG 3.86Å; K252-E286 HydrophobicContact CG-CG 4.41Å; K252-E286 PolarHBondContact N-O 2.89Å; K252-E286 IonicContact NZ-OE1 3.23Å; K252-E286 PolarHBondContact NZ-OE1 2.98Å; Y284-E286 WeakPolarHBondContact OH-CA 3.38Å; E286-K742 IonicContact OE1-NZ 3.92Å; E286-K742 PolarHBondContact OE1-NZ 3.16Å; E286-K742 IonicContact OE2-NZ 2.8Å; E286-K742 PolarHBondContact OE2-NZ 3.36Å |
| 287 | G | 87.5 | Confident | 92.5 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | -160.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y284 | Y284-G287 WeakPolarHBondContact CE2-O 3.45Å; Y284-G287 PolarHBondContact OH-N 3.11Å; Y284-G287 PolarHBondContact OH-O 2.86Å |
| 288 | G | 91.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 61 Ų | 61 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.1 | 143.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L220 S249 E250 | L220-G288 WeakPolarHBondContact CB-O 3.46Å; L220-G288 PolarHBondContact N-O 3Å; S249-G288 CarbonylContact O-C 3.32Å; S249-G288 WeakPolarHBondContact O-CA 3.42Å; E250-G288 WeakPolarHBondContact O-CA 3.49Å; E250-G288 PolarHBondContact O-N 3.2Å; E250-G288 VanDerWaalsContact O-N 3.1Å |
| 289 | K | 92 | Very high | 93 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.6 | 166 | 68 | -174.1 | -177.9 | -168.7 | 0 | 109 | V218 L219 F248 S249 E250 | V218-K289 WeakPolarHBondContact O-CA 3.35Å; L219-K289 HydrophobicContact CD2-CB 4.16Å; F248-K289 WeakPolarHBondContact CA-O 3.41Å; S249-K289 PolarHBondContact N-O 2.97Å; S249-K289 PolarHBondContact O-N 3.4Å; S249-K289 WeakPolarHBondContact OG-CE 3.37Å; S249-K289 WeakPolarHBondContact OG-CG 3.34Å; E250-K289 HydrophobicContact CG-CD 4.47Å; E250-K289 WeakPolarHBondContact OE1-CE 3.23Å; E250-K289 IonicContact OE1-NZ 2.74Å; E250-K289 PolarHBondContact OE1-NZ 3.03Å |
| 290 | V | 94.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.3 | 173.2 | 66 | 0 | 0 | 0 | 0 | 108.7 | E217 V218 L220 V246 V247 F248 F273 | E217-V290 VanDerWaalsContact CA-O 3.3Å; E217-V290 WeakPolarHBondContact CA-O 3.43Å; V218-V290 HydrophobicContact CG2-CG1 3.35Å; V218-V290 PolarHBondContact N-O 2.93Å; V218-V290 PolarHBondContact O-N 2.88Å; L220-V290 HydrophobicContact CD1-CB 4.37Å; L220-V290 HydrophobicContact CD2-CB 4.12Å; L220-V290 HydrophobicContact CD2-CG1 3.67Å; L220-V290 HydrophobicContact CG-CG1 4.5Å; V246-V290 HydrophobicContact CB-CG2 3.42Å; V246-V290 VanDerWaalsContact CB-CG2 3.42Å; V246-V290 HydrophobicContact CG1-CG2 3.74Å; V246-V290 HydrophobicContact CG2-CG2 3.74Å; V247-V290 WeakPolarHBondContact O-CA 3.23Å; F248-V290 HydrophobicContact CD1-CB 4.04Å; F248-V290 HydrophobicContact CD1-CG2 4.1Å; F248-V290 HydrophobicContact CE1-CB 3.96Å; F248-V290 HydrophobicContact CE1-CG2 3.81Å; F248-V290 HydrophobicContact CE2-CG2 4.44Å; F248-V290 HydrophobicContact CZ-CG2 3.99Å; F273-V290 HydrophobicContact CE1-CG1 4.21Å; F273-V290 HydrophobicContact CZ-CB 4.33Å; F273-V290 HydrophobicContact CZ-CG1 3.95Å; F273-V290 HydrophobicContact CZ-CG2 3.97Å |
| 291 | K | 94.8 | Very high | 93.9 | Very high | 87 Ų | 87 | 58 Ų | 58 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.3 | 179.6 | -177.9 | 175.3 | -176.8 | 167.9 | 0 | 109.8 | T216 E217 V246 V247 | T216-K291 WeakPolarHBondContact O-CA 3.46Å; E217-K291 HydrophobicContact CG-CB 4.31Å; V246-K291 CarbonylContact C-O 3.58Å; V246-K291 VanDerWaalsContact CA-O 3.29Å; V246-K291 WeakPolarHBondContact CA-O 3.34Å; V247-K291 HydrophobicContact CG2-CB 4.21Å; V247-K291 PolarHBondContact N-O 3.26Å; V247-K291 PolarHBondContact O-N 3.31Å |
| 292 | Q | 95.9 | Very high | 94.1 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 142 | 172.5 | -171.2 | -175.2 | 16.1 | 0 | 0 | 110.5 | C215 T216 L240 D244 Y245 | C215-Q292 HydrophobicContact CB-CB 4.17Å; C215-Q292 WeakPolarHBondContact CB-O 3.31Å; C215-Q292 PolarHBondContact SG-O 3.36Å; T216-Q292 VanDerWaalsContact N-OE1 3.16Å; T216-Q292 PolarHBondContact O-N 3.16Å; T216-Q292 WeakPolarHBondContact OG1-CB 3.35Å; T216-Q292 PolarHBondContact OG1-OE1 3.38Å; T216-Q292 VanDerWaalsContact OG1-OE1 3.13Å; L240-Q292 HydrophobicContact CD2-CB 3.91Å; L240-Q292 HydrophobicContact CD2-CG 4.01Å; D244-Q292 PolarHBondContact OD1-NE2 3.06Å; D244-Q292 PolarHBondContact OD2-NE2 2.87Å; D244-Q292 VanDerWaalsContact OD2-NE2 3.13Å; Y245-Q292 WeakPolarHBondContact O-CA 3.39Å |
| 293 | V | 94.5 | Very high | 94.3 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.4 | 173.9 | -88.4 | 0 | 0 | 0 | 0 | 109.3 | Y245 V247 P262 | Y245-V293 WeakPolarHBondContact O-CG2 3.31Å; Y245-V293 PolarHBondContact O-N 2.96Å; V247-V293 HydrophobicContact CG1-CG1 4.4Å; V247-V293 HydrophobicContact CG1-CG2 3.95Å; V247-V293 HydrophobicContact CG2-CG1 3.99Å; V247-V293 HydrophobicContact CG2-CG2 4.47Å; P262-V293 HydrophobicContact CB-CG2 3.82Å; P262-V293 HydrophobicContact CG-CG2 4.02Å |
| 294 | K | 93.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 122.7 | 179.7 | -61.4 | -172.2 | -174.1 | -178.6 | 0 | 109.7 | D209 N211 E213 | D209-K294 HydrophobicContact CB-CD 4.04Å; D209-K294 VanDerWaalsContact OD1-CD 3.3Å; D209-K294 WeakPolarHBondContact OD1-CD 3.25Å; D209-K294 IonicContact OD1-NZ 2.78Å; D209-K294 PolarHBondContact OD1-NZ 2.99Å; D209-K294 WeakPolarHBondContact OD2-CD 3.41Å; D209-K294 IonicContact OD2-NZ 2.75Å; D209-K294 PolarHBondContact OD2-NZ 3.44Å; N211-K294 WeakPolarHBondContact OD1-CE 3.47Å; N211-K294 PolarHBondContact OD1-NZ 2.65Å; E213-K294 VanDerWaalsContact O-CE 3.23Å; E213-K294 WeakPolarHBondContact O-CE 3.34Å; E213-K294 PolarHBondContact O-NZ 3.04Å |
| 295 | M | 93.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 41% | 0.409 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 135.4 | 178.4 | -63.3 | -56 | -67.9 | 0 | 0 | 110.6 | Y245 P262 T297 | Y245-M295 HydrophobicContact CD1-CG 3.99Å; Y245-M295 HydrophobicContact CD1-SD 4.48Å; Y245-M295 HydrophobicContact CD2-CB 4.27Å; Y245-M295 HydrophobicContact CD2-CG 3.42Å; Y245-M295 VanDerWaalsContact CD2-CG 3.42Å; Y245-M295 HydrophobicContact CE1-CG 4.47Å; Y245-M295 HydrophobicContact CE2-CG 3.99Å; Y245-M295 HydrophobicContact CG-CG 3.43Å; Y245-M295 VanDerWaalsContact CG-CG 3.43Å; Y245-M295 HydrophobicContact CG-SD 4.3Å; P262-M295 HydrophobicContact CB-SD 4.1Å; P262-M295 HydrophobicContact CG-SD 4.1Å; M295-T297 PolarHBondContact O-N 3.45Å; M295-T297 PolarHBondContact O-OG1 3.27Å |
| 296 | P | 94.4 | Very high | 94.7 | Very high | 79 Ų | 79 | 54 Ų | 54 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 130.7 | 175.8 | -24.5 | 33.5 | 0 | 0 | 0 | 111.9 | V206 I207 | V206-P296 HydrophobicContact CG1-CB 3.9Å; I207-P296 CarbonylContact O-C 3.48Å; I207-P296 VanDerWaalsContact O-CA 3.25Å; I207-P296 WeakPolarHBondContact O-CA 3.18Å |
| 297 | T | 94.2 | Very high | 95.1 | Very high | 79 Ų | 79 | 51.5 Ų | 51.5 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.4 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 110 | I207 M295 | I207-T297 PolarHBondContact N-O 2.82Å; I207-T297 PolarHBondContact O-N 2.89Å; M295-T297 PolarHBondContact O-N 3.45Å; M295-T297 PolarHBondContact O-OG1 3.27Å |
| 298 | K | 95.8 | Very high | 95.4 | Very high | 150 Ų | 150 | 50.9 Ų | 50.9 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.2 | 175.3 | -66.7 | -177.6 | -178.9 | -179.8 | 0 | 110.4 | H205 V206 | H205-K298 CarbonylContact O-C 3.59Å; H205-K298 WeakPolarHBondContact O-CA 3.36Å; V206-K298 HydrophobicContact CG2-CG 4.41Å |
| 299 | M | 96.4 | Very high | 95.5 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 16% | 0.163 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.1 | 173.2 | -175.4 | 175.7 | -91.1 | 0 | 0 | 109.6 | H205 I207 F301 T416 P417 K419 | H205-M299 WeakPolarHBondContact CB-O 3.37Å; H205-M299 PolarHBondContact N-O 2.87Å; H205-M299 PolarHBondContact O-N 3.02Å; I207-M299 HydrophobicContact CD1-CB 3.97Å; I207-M299 HydrophobicContact CD1-CE 4.24Å; I207-M299 HydrophobicContact CD1-SD 4.23Å; M299-F301 HydrophobicContact CB-CE2 4.12Å; M299-F301 HydrophobicContact CG-CD2 4.33Å; M299-F301 HydrophobicContact CG-CE2 3.63Å; M299-F301 HydrophobicContact CG-CZ 3.98Å; M299-F301 HydrophobicContact SD-CE1 4.39Å; M299-F301 HydrophobicContact SD-CE2 3.76Å; M299-F301 HydrophobicContact SD-CZ 3.48Å; M299-F301 WeakPolarHBondContact SD-CZ 3.31Å; M299-T416 HydrophobicContact CE-CG2 3.94Å; M299-P417 HydrophobicContact SD-CB 4.38Å; M299-P417 HydrophobicContact SD-CG 4.31Å; M299-K419 HydrophobicContact CE-CB 4.24Å; M299-K419 HydrophobicContact CE-CD 3.92Å; M299-K419 HydrophobicContact CG-CD 3.88Å; M299-K419 HydrophobicContact SD-CB 4.08Å; M299-K419 HydrophobicContact SD-CD 3.89Å; M299-K419 HydrophobicContact SD-CG 4.3Å |
| 300 | E | 97.5 | Very high | 95.7 | Very high | 133 Ų | 133 | 61.7 Ų | 61.7 | 62% | 0.621 | 30% | 0.298 | S | S | * | . | trans | -102.5 | 132.6 | 179.4 | -48.9 | -168.5 | 167 | 0 | 0 | 110 | P203 K419 | P203-E300 WeakPolarHBondContact O-CG 3.48Å; E300-K419 WeakPolarHBondContact O-CE 3.24Å | ||
| 301 | F | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | trans | -108.7 | 141.7 | 175.3 | -68.5 | -100 | 0 | 0 | 0 | 109.2 | R179 N199 F201 G202 H205 M299 P417 K419 Q420 | R179-F301 VanDerWaalsContact NH2-C 3.29Å; R179-F301 PolarHBondContact NH2-O 3.21Å; N199-F301 HydrophobicContact CB-CD1 4.42Å; N199-F301 HydrophobicContact CB-CE1 3.97Å; N199-F301 VanDerWaalsContact O-CD1 3.3Å; N199-F301 WeakPolarHBondContact O-CD1 3.42Å; F201-F301 HydrophobicContact CB-CD2 3.93Å; F201-F301 HydrophobicContact CB-CE2 3.85Å; F201-F301 HydrophobicContact CB-CG 4.46Å; F201-F301 HydrophobicContact CB-CZ 4.3Å; F201-F301 HydrophobicContact CD2-CE1 4.42Å; F201-F301 HydrophobicContact CD2-CE2 4.1Å; F201-F301 AromaticContact CD2-CZ 3.84Å; F201-F301 HydrophobicContact CD2-CZ 3.84Å; F201-F301 HydrophobicContact CE2-CZ 4.5Å; F201-F301 HydrophobicContact CG-CE2 4.28Å; F201-F301 HydrophobicContact CG-CZ 4.24Å; G202-F301 WeakPolarHBondContact O-CB 3.49Å; G202-F301 PolarHBondContact O-N 3.25Å; G202-F301 VanDerWaalsContact O-N 3.11Å; H205-F301 HydrophobicContact CB-CD2 4.24Å; H205-F301 HydrophobicContact CB-CE2 3.88Å; M299-F301 HydrophobicContact CB-CE2 4.12Å; M299-F301 HydrophobicContact CG-CD2 4.33Å; M299-F301 HydrophobicContact CG-CE2 3.63Å; M299-F301 HydrophobicContact CG-CZ 3.98Å; M299-F301 HydrophobicContact SD-CE1 4.39Å; M299-F301 HydrophobicContact SD-CE2 3.76Å; M299-F301 HydrophobicContact SD-CZ 3.48Å; M299-F301 WeakPolarHBondContact SD-CZ 3.31Å; F301-P417 HydrophobicContact CE1-CB 4.47Å; F301-P417 HydrophobicContact CZ-CB 3.85Å; F301-P417 HydrophobicContact CZ-CG 4.15Å; F301-K419 HydrophobicContact CE1-CG 4.47Å; F301-Q420 VanDerWaalsContact CB-NE2 3.3Å; F301-Q420 HydrophobicContact CD1-CG 3.99Å | ||
| 302 | K | 98 | Very high | 95.9 | Very high | 56 Ų | 56 | 62 Ų | 62 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | trans | -78.8 | 145.4 | 165.5 | -61.9 | 178.6 | 176 | -179.2 | 0 | 110.5 | R179 E306 E310 Q420 | R179-K302 PolarHBondContact NH2-O 3.44Å; K302-E306 HydrophobicContact CB-CB 4.44Å; K302-E306 HydrophobicContact CD-CG 4.21Å; K302-E306 VanDerWaalsContact CD-OE1 3.32Å; K302-E306 WeakPolarHBondContact CD-OE1 3.43Å; K302-E306 WeakPolarHBondContact CE-OE1 3.33Å; K302-E310 VanDerWaalsContact NZ-CD 3.29Å; K302-E310 IonicContact NZ-OE2 2.89Å; K302-E310 PolarHBondContact NZ-OE2 3.08Å; K302-Q420 PolarHBondContact O-NE2 3.22Å | ||
| 303 | P | 98 | Very high | 96 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 20% | 0.201 | 31% | 0.307 | C | S | . | . | trans | -63.9 | 154.9 | 170.1 | 28.6 | -33.9 | 0 | 0 | 0 | 110.6 | N305 E306 S307 | P303-N305 VanDerWaalsContact C-N 3.29Å; P303-N305 WeakPolarHBondContact CB-OD1 3.4Å; P303-N305 WeakPolarHBondContact CG-OD1 3.48Å; P303-N305 PolarHBondContact O-N 3.12Å; P303-E306 HydrophobicContact CG-CB 4.01Å; P303-E306 PolarHBondContact O-N 3.37Å; P303-E306 VanDerWaalsContact O-N 3.09Å; P303-S307 PolarHBondContact O-N 3.18Å | ||
| 304 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.4 | -39.4 | -172.7 | 179 | 62 | 0 | 0 | 0 | 112.8 | Q171 N175 F185 F198 E306 S307 I308 W421 | Q171-L304 HydrophobicContact CB-CD2 3.57Å; N175-L304 HydrophobicContact CB-CB 3.88Å; N175-L304 HydrophobicContact CB-CD2 4.35Å; N175-L304 WeakPolarHBondContact OD1-CB 3.3Å; N175-L304 PolarHBondContact OD1-N 3.29Å; F185-L304 HydrophobicContact CE1-CD2 4.12Å; F185-L304 HydrophobicContact CZ-CD2 4.4Å; F198-L304 HydrophobicContact CD1-CD1 3.77Å; F198-L304 HydrophobicContact CD2-CD1 4.28Å; F198-L304 HydrophobicContact CE1-CB 3.86Å; F198-L304 HydrophobicContact CE1-CD1 3.57Å; F198-L304 HydrophobicContact CE1-CG 4.22Å; F198-L304 HydrophobicContact CE2-CD1 4.11Å; F198-L304 HydrophobicContact CG-CD1 4.11Å; F198-L304 HydrophobicContact CZ-CB 4.04Å; F198-L304 HydrophobicContact CZ-CD1 3.74Å; L304-E306 PolarHBondContact O-N 2.82Å; L304-S307 PolarHBondContact O-N 3.12Å; L304-I308 HydrophobicContact CD1-CD1 3.73Å; L304-I308 HydrophobicContact CD1-CG1 3.71Å; L304-I308 HydrophobicContact CD2-CD1 4.37Å; L304-I308 HydrophobicContact CG-CD1 3.74Å; L304-I308 HydrophobicContact CG-CG1 4.15Å; L304-I308 WeakPolarHBondContact O-CB 3.32Å; L304-I308 VanDerWaalsContact O-CG1 3.29Å; L304-I308 WeakPolarHBondContact O-CG1 3.41Å; L304-I308 PolarHBondContact O-N 3.18Å; L304-W421 HydrophobicContact CD1-CH2 3.72Å; L304-W421 HydrophobicContact CD1-CZ2 3.5Å |
| 305 | N | 95.8 | Very high | 96.3 | Very high | 83 Ų | 83 | 63 Ų | 63 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -29 | 179.8 | 64.5 | -13.3 | 0 | 0 | 0 | 113.6 | P303 | P303-N305 VanDerWaalsContact C-N 3.29Å; P303-N305 WeakPolarHBondContact CB-OD1 3.4Å; P303-N305 WeakPolarHBondContact CG-OD1 3.48Å; P303-N305 PolarHBondContact O-N 3.12Å |
| 306 | E | 96.1 | Very high | 96.4 | Very high | 88 Ų | 88 | 59.5 Ų | 59.5 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -84.8 | -47.5 | 174.3 | -172.1 | -173.3 | 147.2 | 0 | 0 | 110.4 | K302 P303 L304 I308 R309 E310 | K302-E306 HydrophobicContact CB-CB 4.44Å; K302-E306 HydrophobicContact CD-CG 4.21Å; K302-E306 VanDerWaalsContact CD-OE1 3.32Å; K302-E306 WeakPolarHBondContact CD-OE1 3.43Å; K302-E306 WeakPolarHBondContact CE-OE1 3.33Å; P303-E306 HydrophobicContact CG-CB 4.01Å; P303-E306 PolarHBondContact O-N 3.37Å; P303-E306 VanDerWaalsContact O-N 3.09Å; L304-E306 PolarHBondContact O-N 2.82Å; E306-I308 VanDerWaalsContact C-N 3.3Å; E306-I308 PolarHBondContact O-N 3.46Å; E306-R309 WeakPolarHBondContact O-CB 3.34Å; E306-R309 PolarHBondContact O-N 3Å; E306-E310 PolarHBondContact O-N 3.08Å |
| 307 | S | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -30.3 | -178 | -164.8 | 0 | 0 | 0 | 0 | 113.5 | F198 P303 L304 R309 E310 P311 Q420 W421 | F198-S307 WeakPolarHBondContact CE2-OG 3.42Å; P303-S307 PolarHBondContact O-N 3.18Å; L304-S307 PolarHBondContact O-N 3.12Å; S307-R309 PolarHBondContact O-N 2.86Å; S307-E310 CarbonylContact O-C 3.39Å; S307-P311 WeakPolarHBondContact O-CA 3.45Å; S307-P311 WeakPolarHBondContact O-CB 3.31Å; S307-P311 VanDerWaalsContact O-N 3.09Å; S307-Q420 VanDerWaalsContact CB-OE1 3.31Å; S307-Q420 PolarHBondContact OG-OE1 2.72Å; S307-W421 PolarHBondContact OG-NE1 2.7Å |
| 308 | I | 95.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.1 | 172.1 | -76.3 | 174.8 | 0 | 0 | 0 | 112.4 | F168 L304 E306 H328 R332 W421 | F168-I308 HydrophobicContact CB-CD1 4.24Å; F168-I308 HydrophobicContact CD1-CD1 4.1Å; F168-I308 HydrophobicContact CG-CD1 4.12Å; L304-I308 HydrophobicContact CD1-CD1 3.73Å; L304-I308 HydrophobicContact CD1-CG1 3.71Å; L304-I308 HydrophobicContact CD2-CD1 4.37Å; L304-I308 HydrophobicContact CG-CD1 3.74Å; L304-I308 HydrophobicContact CG-CG1 4.15Å; L304-I308 WeakPolarHBondContact O-CB 3.32Å; L304-I308 VanDerWaalsContact O-CG1 3.29Å; L304-I308 WeakPolarHBondContact O-CG1 3.41Å; L304-I308 PolarHBondContact O-N 3.18Å; E306-I308 VanDerWaalsContact C-N 3.3Å; E306-I308 PolarHBondContact O-N 3.46Å; I308-H328 PolarHBondContact O-NE2 2.98Å; I308-R332 PolarHBondContact O-NH1 3.14Å; I308-W421 HydrophobicContact CG1-CH2 4.19Å; I308-W421 HydrophobicContact CG1-CZ2 3.75Å |
| 309 | R | 93.7 | Very high | 96.4 | Very high | 172 Ų | 172 | 54.4 Ų | 54.4 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -37.8 | -179.2 | -60.9 | 177.1 | -175.9 | 178.3 | 1 | 111.4 | E306 S307 | E306-R309 WeakPolarHBondContact O-CB 3.34Å; E306-R309 PolarHBondContact O-N 3Å; S307-R309 PolarHBondContact O-N 2.86Å |
| 310 | E | 95.5 | Very high | 96.3 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 41% | 0.407 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -131.4 | 75 | -179.2 | -167 | -173.3 | -156.5 | 0 | 0 | 110.4 | K302 E306 S307 L368 | K302-E310 VanDerWaalsContact NZ-CD 3.29Å; K302-E310 IonicContact NZ-OE2 2.89Å; K302-E310 PolarHBondContact NZ-OE2 3.08Å; E306-E310 PolarHBondContact O-N 3.08Å; S307-E310 CarbonylContact O-C 3.39Å; E310-L368 HydrophobicContact CB-CD1 4.18Å |
| 311 | P | 96.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | trans | -74.9 | 147.1 | -172.7 | 28.4 | -34.2 | 0 | 0 | 0 | 113 | S307 F313 L371 W421 | S307-P311 WeakPolarHBondContact O-CA 3.45Å; S307-P311 WeakPolarHBondContact O-CB 3.31Å; S307-P311 VanDerWaalsContact O-N 3.09Å; P311-F313 HydrophobicContact CB-CD1 4.31Å; P311-F313 HydrophobicContact CB-CE1 3.6Å; P311-F313 HydrophobicContact CB-CE2 4.15Å; P311-F313 HydrophobicContact CB-CZ 3.53Å; P311-F313 HydrophobicContact CG-CE1 3.87Å; P311-F313 HydrophobicContact CG-CE2 3.73Å; P311-F313 HydrophobicContact CG-CZ 3.24Å; P311-L371 HydrophobicContact CG-CD1 3.98Å; P311-W421 HydrophobicContact CB-CG 4.44Å | ||
| 312 | E | 97 | Very high | 95.9 | Very high | 76 Ų | 76 | 57 Ų | 57 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | trans | -109.4 | 119 | 166.9 | -169.8 | 177.2 | 166.7 | 0 | 0 | 108.2 | K419 Q420 W421 | E312-K419 WeakPolarHBondContact OE1-CD 3.39Å; E312-K419 IonicContact OE1-NZ 3.47Å; E312-K419 PolarHBondContact OE1-NZ 2.82Å; E312-K419 VanDerWaalsContact OE2-CE 3.29Å; E312-K419 WeakPolarHBondContact OE2-CE 3.43Å; E312-K419 IonicContact OE2-NZ 2.64Å; E312-K419 PolarHBondContact OE2-NZ 2.79Å; E312-Q420 PolarHBondContact O-N 3.08Å; E312-W421 PolarHBondContact O-N 3.28Å | ||
| 313 | F | 97.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.6 | -174 | -56.7 | -63.8 | 0 | 0 | 0 | 111.9 | P311 P324 N325 H328 L371 W421 Y423 | P311-F313 HydrophobicContact CB-CD1 4.31Å; P311-F313 HydrophobicContact CB-CE1 3.6Å; P311-F313 HydrophobicContact CB-CE2 4.15Å; P311-F313 HydrophobicContact CB-CZ 3.53Å; P311-F313 HydrophobicContact CG-CE1 3.87Å; P311-F313 HydrophobicContact CG-CE2 3.73Å; P311-F313 HydrophobicContact CG-CZ 3.24Å; F313-P324 HydrophobicContact CB-CB 3.89Å; F313-P324 HydrophobicContact CD1-CB 3.8Å; F313-P324 HydrophobicContact CD2-CB 3.87Å; F313-P324 HydrophobicContact CE1-CB 4.28Å; F313-P324 HydrophobicContact CE2-CB 4.32Å; F313-P324 HydrophobicContact CG-CB 3.58Å; F313-N325 VanDerWaalsContact CE2-OD1 3.31Å; F313-N325 WeakPolarHBondContact CE2-OD1 3.38Å; F313-H328 HydrophobicContact CE1-CB 3.89Å; F313-H328 HydrophobicContact CZ-CB 3.8Å; F313-L371 HydrophobicContact CZ-CD1 4.17Å; F313-W421 WeakPolarHBondContact CA-O 3.5Å; F313-W421 HydrophobicContact CD1-CB 3.67Å; F313-W421 HydrophobicContact CD1-CG 4.4Å; F313-W421 HydrophobicContact CE1-CB 4.11Å; F313-W421 HydrophobicContact CE1-CG 4.42Å; F313-Y423 AromaticContact CD1-CD2 3.88Å; F313-Y423 HydrophobicContact CD1-CD2 3.88Å; F313-Y423 AromaticContact CD1-CE2 3.93Å; F313-Y423 HydrophobicContact CD1-CE2 3.93Å; F313-Y423 AromaticContact CE1-CD2 3.91Å; F313-Y423 HydrophobicContact CE1-CD2 3.91Å; F313-Y423 AromaticContact CE1-CE2 3.58Å; F313-Y423 HydrophobicContact CE1-CE2 3.58Å |
| 314 | L | 97.2 | Very high | 95.7 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.4 | 156.7 | 177.9 | 66.9 | 0 | 0 | 0 | 108.9 | S316 V418 W421 F422 P955 F957 | L314-S316 PolarHBondContact O-N 2.8Å; L314-V418 HydrophobicContact CB-CG1 4.17Å; L314-V418 HydrophobicContact CD2-CB 4.38Å; L314-V418 HydrophobicContact CD2-CG1 4.14Å; L314-V418 HydrophobicContact CD2-CG2 3.73Å; L314-W421 PolarHBondContact N-O 2.96Å; L314-F422 HydrophobicContact CB-CD2 4.46Å; L314-F422 HydrophobicContact CD2-CD2 3.9Å; L314-F422 HydrophobicContact CG-CD2 4.25Å; L314-P955 HydrophobicContact CD2-CB 3.67Å; L314-P955 HydrophobicContact CD2-CG 3.81Å; L314-P955 VanDerWaalsContact CD2-O 3.28Å; L314-P955 WeakPolarHBondContact CD2-O 3.47Å; L314-F957 HydrophobicContact CD2-CD2 4.12Å; L314-F957 HydrophobicContact CD2-CE2 3.84Å |
| 315 | I | 96.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 122.4 | 176.6 | -54.7 | -55.1 | 0 | 0 | 0 | 109.2 | D317 F318 P324 | I315-D317 WeakPolarHBondContact CG2-O 3.47Å; I315-F318 HydrophobicContact CB-CE1 4.3Å; I315-F318 HydrophobicContact CG2-CD1 4.05Å; I315-F318 HydrophobicContact CG2-CE1 4.27Å; I315-F318 HydrophobicContact CG2-CG 4.22Å; I315-P324 HydrophobicContact CD1-CG 3.89Å |
| 316 | S | 95.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -83.6 | -38.8 | 176.8 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | L314 Y423 F957 F959 | L314-S316 PolarHBondContact O-N 2.8Å; S316-Y423 WeakPolarHBondContact CB-O 3.38Å; S316-Y423 PolarHBondContact OG-O 3.38Å; S316-F957 WeakPolarHBondContact O-CB 3.48Å; S316-F959 WeakPolarHBondContact O-CD2 3.46Å; S316-F959 WeakPolarHBondContact O-CE2 3.26Å |
| 317 | D | 95.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | trans | -138.7 | 116.6 | 179.5 | 179.7 | -12.1 | 0 | 0 | 0 | 108.8 | I315 S319 K320 K946 F959 | I315-D317 WeakPolarHBondContact CG2-O 3.47Å; D317-S319 PolarHBondContact O-N 3Å; D317-S319 WeakPolarHBondContact OD1-CA 3.48Å; D317-S319 WeakPolarHBondContact OD1-CB 3.36Å; D317-S319 PolarHBondContact OD1-N 2.94Å; D317-S319 PolarHBondContact OD1-OG 3.44Å; D317-S319 PolarHBondContact OD2-OG 3.14Å; D317-S319 VanDerWaalsContact OD2-OG 3.09Å; D317-K320 HydrophobicContact CB-CB 4.14Å; D317-K320 HydrophobicContact CB-CD 3.89Å; D317-K320 HydrophobicContact CB-CG 4.08Å; D317-K320 CarbonylContact O-C 3.56Å; D317-K320 WeakPolarHBondContact O-CA 3.44Å; D317-K320 WeakPolarHBondContact O-CB 3.38Å; D317-K320 PolarHBondContact O-N 3.44Å; D317-K320 WeakPolarHBondContact OD2-CD 3.47Å; D317-K320 VanDerWaalsContact OD2-CE 3.26Å; D317-K320 WeakPolarHBondContact OD2-CE 3.48Å; D317-K946 IonicContact OD2-NZ 3.56Å; D317-F959 HydrophobicContact CB-CD2 3.81Å; D317-F959 HydrophobicContact CB-CG 4.49Å | ||
| 318 | F | 95.1 | Very high | 95.9 | Very high | 118 Ų | 118 | 49.2 Ų | 49.2 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -68.3 | -13.1 | -178.8 | -69.5 | -86.6 | 0 | 0 | 0 | 113.4 | I315 M321 Y956 F957 | I315-F318 HydrophobicContact CB-CE1 4.3Å; I315-F318 HydrophobicContact CG2-CD1 4.05Å; I315-F318 HydrophobicContact CG2-CE1 4.27Å; I315-F318 HydrophobicContact CG2-CG 4.22Å; F318-M321 WeakPolarHBondContact O-CG 3.44Å; F318-Y956 HydrophobicContact CE2-CE2 4.25Å; F318-F957 WeakPolarHBondContact CE2-O 3.04Å |
| 319 | S | 94 | Very high | 96.1 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -79.2 | -6 | 167.7 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | D317 K946 | D317-S319 PolarHBondContact O-N 3Å; D317-S319 WeakPolarHBondContact OD1-CA 3.48Å; D317-S319 WeakPolarHBondContact OD1-CB 3.36Å; D317-S319 PolarHBondContact OD1-N 2.94Å; D317-S319 PolarHBondContact OD1-OG 3.44Å; D317-S319 PolarHBondContact OD2-OG 3.14Å; D317-S319 VanDerWaalsContact OD2-OG 3.09Å; S319-K946 PolarHBondContact OG-NZ 3.2Å |
| 320 | K | 94.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -126.6 | 35.5 | -173.9 | -60.1 | 178.5 | -179.8 | -170.7 | 0 | 112.1 | D317 D322 R323 D425 E428 | D317-K320 HydrophobicContact CB-CB 4.14Å; D317-K320 HydrophobicContact CB-CD 3.89Å; D317-K320 HydrophobicContact CB-CG 4.08Å; D317-K320 CarbonylContact O-C 3.56Å; D317-K320 WeakPolarHBondContact O-CA 3.44Å; D317-K320 WeakPolarHBondContact O-CB 3.38Å; D317-K320 PolarHBondContact O-N 3.44Å; D317-K320 WeakPolarHBondContact OD2-CD 3.47Å; D317-K320 VanDerWaalsContact OD2-CE 3.26Å; D317-K320 WeakPolarHBondContact OD2-CE 3.48Å; K320-D322 VanDerWaalsContact C-N 3.26Å; K320-D322 PolarHBondContact O-N 2.96Å; K320-D322 VanDerWaalsContact O-N 3.14Å; K320-R323 HydrophobicContact CB-CB 4.22Å; K320-R323 HydrophobicContact CB-CG 3.82Å; K320-R323 VanDerWaalsContact CD-CZ 3.46Å; K320-R323 VanDerWaalsContact CE-NH1 3.27Å; K320-R323 WeakPolarHBondContact O-CB 3.16Å; K320-R323 PolarHBondContact O-N 3.31Å; K320-D425 PolarHBondContact NZ-O 3.49Å; K320-D425 IonicContact NZ-OD1 3.36Å; K320-D425 PolarHBondContact NZ-OD1 2.91Å; K320-D425 VanDerWaalsContact NZ-OD1 3.08Å; K320-D425 IonicContact NZ-OD2 2.74Å; K320-E428 WeakPolarHBondContact CE-OE1 3.43Å; K320-E428 VanDerWaalsContact NZ-CD 3.25Å; K320-E428 IonicContact NZ-OE1 2.73Å; K320-E428 PolarHBondContact NZ-OE1 2.76Å; K320-E428 IonicContact NZ-OE2 3.69Å; K320-E428 PolarHBondContact NZ-OE2 2.82Å |
| 321 | M | 93.7 | Very high | 96.4 | Very high | 123 Ų | 123 | 36.2 Ų | 36.2 | 61% | 0.606 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27.4 | -168.2 | -60.2 | -166.4 | -57.7 | 0 | 0 | 115.5 | F318 P324 | F318-M321 WeakPolarHBondContact O-CG 3.44Å; M321-P324 WeakPolarHBondContact O-CD 3.5Å |
| 322 | D | 92 | Very high | 96.4 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.2 | 178.1 | 66.5 | -55.6 | 0 | 0 | 0 | 112.9 | K320 P324 N325 Q326 | K320-D322 VanDerWaalsContact C-N 3.26Å; K320-D322 PolarHBondContact O-N 2.96Å; K320-D322 VanDerWaalsContact O-N 3.14Å; D322-P324 VanDerWaalsContact C-CD 3.5Å; D322-N325 PolarHBondContact O-N 3.14Å; D322-Q326 WeakPolarHBondContact O-CG 3.31Å; D322-Q326 PolarHBondContact O-N 2.88Å |
| 323 | R | 95.3 | Very high | 96.4 | Very high | 46 Ų | 46 | 34.2 Ų | 34.2 | 17% | 0.174 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | -175 | -65.3 | -160 | -167.4 | 178.1 | 3.1 | 114.9 | K320 N325 Q326 M327 L380 D425 E428 | K320-R323 HydrophobicContact CB-CB 4.22Å; K320-R323 HydrophobicContact CB-CG 3.82Å; K320-R323 VanDerWaalsContact CD-CZ 3.46Å; K320-R323 VanDerWaalsContact CE-NH1 3.27Å; K320-R323 WeakPolarHBondContact O-CB 3.16Å; K320-R323 PolarHBondContact O-N 3.31Å; R323-N325 VanDerWaalsContact C-N 3.33Å; R323-N325 PolarHBondContact O-N 3.34Å; R323-Q326 WeakPolarHBondContact O-CB 3.28Å; R323-Q326 PolarHBondContact O-N 2.91Å; R323-M327 HydrophobicContact CB-SD 4.44Å; R323-M327 VanDerWaalsContact O-CB 3.31Å; R323-M327 WeakPolarHBondContact O-CB 3.43Å; R323-M327 VanDerWaalsContact O-CG 3.27Å; R323-M327 WeakPolarHBondContact O-CG 3.33Å; R323-M327 PolarHBondContact O-N 2.99Å; R323-L380 HydrophobicContact CG-CD2 4.39Å; R323-D425 VanDerWaalsContact CD-OD2 3.23Å; R323-D425 WeakPolarHBondContact CD-OD2 3.33Å; R323-D425 IonicContact CZ-OD1 3.71Å; R323-D425 IonicContact CZ-OD2 3.63Å; R323-D425 IonicContact NE-OD2 3.96Å; R323-D425 IonicContact NH1-OD1 2.89Å; R323-D425 PolarHBondContact NH1-OD1 3.3Å; R323-D425 IonicContact NH1-OD2 2.69Å; R323-D425 PolarHBondContact NH1-OD2 3.17Å; R323-E428 IonicContact NH1-OE1 2.57Å; R323-E428 IonicContact NH2-OE1 2.84Å |
| 324 | P | 97.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.1 | -45 | 178.4 | -28.4 | 36.8 | 0 | 0 | 0 | 113.2 | F313 I315 M321 D322 M327 H328 Y423 | F313-P324 HydrophobicContact CB-CB 3.89Å; F313-P324 HydrophobicContact CD1-CB 3.8Å; F313-P324 HydrophobicContact CD2-CB 3.87Å; F313-P324 HydrophobicContact CE1-CB 4.28Å; F313-P324 HydrophobicContact CE2-CB 4.32Å; F313-P324 HydrophobicContact CG-CB 3.58Å; I315-P324 HydrophobicContact CD1-CG 3.89Å; M321-P324 WeakPolarHBondContact O-CD 3.5Å; D322-P324 VanDerWaalsContact C-CD 3.5Å; P324-M327 PolarHBondContact O-N 3.46Å; P324-H328 VanDerWaalsContact O-CB 3.25Å; P324-H328 WeakPolarHBondContact O-CB 3.35Å; P324-H328 PolarHBondContact O-N 3.27Å; P324-Y423 HydrophobicContact CB-CD2 4.49Å |
| 325 | N | 97.4 | Very high | 96.4 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 175.8 | -70.2 | 59.9 | 0 | 0 | 0 | 111.7 | F313 D322 R323 H328 L329 S370 L371 V373 | F313-N325 VanDerWaalsContact CE2-OD1 3.31Å; F313-N325 WeakPolarHBondContact CE2-OD1 3.38Å; D322-N325 PolarHBondContact O-N 3.14Å; R323-N325 VanDerWaalsContact C-N 3.33Å; R323-N325 PolarHBondContact O-N 3.34Å; N325-H328 PolarHBondContact O-N 2.87Å; N325-L329 WeakPolarHBondContact O-CG 3.35Å; N325-L329 PolarHBondContact O-N 3.37Å; N325-S370 PolarHBondContact ND2-O 3.15Å; N325-S370 VanDerWaalsContact ND2-O 3.08Å; N325-L371 HydrophobicContact CB-CD1 4.48Å; N325-L371 WeakPolarHBondContact ND2-CA 3.34Å; N325-L371 PolarHBondContact ND2-O 2.82Å; N325-L371 VanDerWaalsContact ND2-O 3.13Å; N325-V373 HydrophobicContact CB-CG1 3.58Å |
| 326 | Q | 98 | Very high | 96.3 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.1 | -53.6 | 177.2 | -64.2 | -74.4 | -7.8 | 0 | 0 | 110.8 | D322 R323 H328 L329 M330 V373 K375 L380 | D322-Q326 WeakPolarHBondContact O-CG 3.31Å; D322-Q326 PolarHBondContact O-N 2.88Å; R323-Q326 WeakPolarHBondContact O-CB 3.28Å; R323-Q326 PolarHBondContact O-N 2.91Å; Q326-H328 PolarHBondContact O-N 2.8Å; Q326-L329 PolarHBondContact O-N 2.75Å; Q326-M330 HydrophobicContact CB-CE 3.67Å; Q326-M330 HydrophobicContact CB-SD 4.48Å; Q326-M330 WeakPolarHBondContact O-CG 3.46Å; Q326-M330 PolarHBondContact O-N 3.47Å; Q326-V373 HydrophobicContact CG-CG1 4.25Å; Q326-K375 PolarHBondContact NE2-O 3.47Å; Q326-L380 HydrophobicContact CB-CD2 4.42Å |
| 327 | M | 98 | Very high | 96.4 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | -178.5 | -71.4 | -178.1 | 67.5 | 0 | 0 | 111.5 | F194 R323 P324 L329 M330 W331 L380 Y423 F424 D425 | F194-M327 HydrophobicContact CB-CE 4.44Å; F194-M327 HydrophobicContact CD1-CE 3.76Å; R323-M327 HydrophobicContact CB-SD 4.44Å; R323-M327 VanDerWaalsContact O-CB 3.31Å; R323-M327 WeakPolarHBondContact O-CB 3.43Å; R323-M327 VanDerWaalsContact O-CG 3.27Å; R323-M327 WeakPolarHBondContact O-CG 3.33Å; R323-M327 PolarHBondContact O-N 2.99Å; P324-M327 PolarHBondContact O-N 3.46Å; M327-L329 VanDerWaalsContact C-N 3.31Å; M327-L329 PolarHBondContact O-N 3.16Å; M327-M330 PolarHBondContact O-N 2.95Å; M327-M330 VanDerWaalsContact O-N 3.1Å; M327-W331 PolarHBondContact O-N 2.58Å; M327-L380 HydrophobicContact CG-CD2 4.44Å; M327-Y423 HydrophobicContact CB-CD1 3.83Å; M327-Y423 HydrophobicContact CB-CE1 4.45Å; M327-Y423 HydrophobicContact CB-CG 4.03Å; M327-Y423 HydrophobicContact CE-CD1 4.07Å; M327-Y423 HydrophobicContact CE-CG 4.46Å; M327-F424 VanDerWaalsContact CE-O 3.31Å; M327-F424 WeakPolarHBondContact CE-O 3.32Å; M327-D425 HydrophobicContact CE-CB 4.25Å; M327-D425 HydrophobicContact SD-CB 4.31Å |
| 328 | H | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 177.4 | -171.3 | 81.9 | 0 | 0 | 0 | 111.7 | I308 F313 P324 N325 Q326 R332 L371 W421 Y423 | I308-H328 PolarHBondContact O-NE2 2.98Å; F313-H328 HydrophobicContact CE1-CB 3.89Å; F313-H328 HydrophobicContact CZ-CB 3.8Å; P324-H328 VanDerWaalsContact O-CB 3.25Å; P324-H328 WeakPolarHBondContact O-CB 3.35Å; P324-H328 PolarHBondContact O-N 3.27Å; N325-H328 PolarHBondContact O-N 2.87Å; Q326-H328 PolarHBondContact O-N 2.8Å; H328-R332 VanDerWaalsContact O-CG 3.29Å; H328-R332 WeakPolarHBondContact O-CG 3.45Å; H328-R332 PolarHBondContact O-N 2.92Å; H328-L371 HydrophobicContact CB-CD1 4.14Å; H328-W421 AromaticContact CE1-CE2 3.9Å; H328-W421 AromaticContact CE1-CZ2 3.94Å; H328-Y423 HydrophobicContact CB-CE2 3.95Å; H328-Y423 AromaticContact ND1-CE2 3.74Å; H328-Y423 AromaticContact ND1-CZ 3.61Å; H328-Y423 PolarHBondContact ND1-OH 2.73Å |
| 329 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 174.2 | -64.6 | 167.6 | 0 | 0 | 0 | 112.1 | N325 Q326 M327 R332 A333 V360 L363 N364 A367 L371 V373 | N325-L329 WeakPolarHBondContact O-CG 3.35Å; N325-L329 PolarHBondContact O-N 3.37Å; Q326-L329 PolarHBondContact O-N 2.75Å; M327-L329 VanDerWaalsContact C-N 3.31Å; M327-L329 PolarHBondContact O-N 3.16Å; L329-R332 PolarHBondContact O-N 2.92Å; L329-A333 PolarHBondContact O-N 3.07Å; L329-V360 HydrophobicContact CB-CG1 3.99Å; L329-L363 HydrophobicContact CD2-CB 4.01Å; L329-N364 HydrophobicContact CD1-CB 3.96Å; L329-A367 HydrophobicContact CD2-CB 4.41Å; L329-L371 HydrophobicContact CD2-CD1 4.47Å; L329-L371 HydrophobicContact CD2-CD2 3.96Å; L329-L371 HydrophobicContact CD2-CG 4.08Å; L329-L371 HydrophobicContact CG-CD1 4.29Å; L329-L371 HydrophobicContact CG-CG 4.37Å; L329-V373 HydrophobicContact CD1-CG2 4.1Å |
| 330 | M | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.1 | -68 | 165.4 | -166 | 0 | 0 | 113.1 | Q326 M327 R332 A333 L334 V360 D377 L380 A381 L384 | Q326-M330 HydrophobicContact CB-CE 3.67Å; Q326-M330 HydrophobicContact CB-SD 4.48Å; Q326-M330 WeakPolarHBondContact O-CG 3.46Å; Q326-M330 PolarHBondContact O-N 3.47Å; M327-M330 PolarHBondContact O-N 2.95Å; M327-M330 VanDerWaalsContact O-N 3.1Å; M330-R332 VanDerWaalsContact C-N 3.32Å; M330-R332 PolarHBondContact O-N 3.41Å; M330-A333 WeakPolarHBondContact O-CB 3.48Å; M330-A333 PolarHBondContact O-N 3.11Å; M330-L334 WeakPolarHBondContact O-CB 3.21Å; M330-L334 PolarHBondContact O-N 2.93Å; M330-V360 HydrophobicContact CB-CG2 4.39Å; M330-V360 HydrophobicContact CG-CG1 4.43Å; M330-V360 HydrophobicContact CG-CG2 3.99Å; M330-D377 HydrophobicContact CE-CB 4.25Å; M330-D377 WeakPolarHBondContact CE-O 3.49Å; M330-L380 HydrophobicContact CE-CB 3.81Å; M330-L380 HydrophobicContact CE-CD2 3.93Å; M330-L380 HydrophobicContact CE-CG 4Å; M330-L380 HydrophobicContact SD-CB 4.16Å; M330-L380 HydrophobicContact SD-CD2 3.98Å; M330-L380 HydrophobicContact SD-CG 3.81Å; M330-A381 HydrophobicContact CE-CB 4.07Å; M330-A381 HydrophobicContact CG-CB 3.99Å; M330-A381 HydrophobicContact SD-CB 4.24Å; M330-L384 HydrophobicContact CB-CD2 3.65Å |
| 331 | W | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 176.1 | -81.3 | 102.1 | 0 | 0 | 0 | 111.7 | F168 D189 R191 F194 Y196 M327 L334 Y335 Y423 | F168-W331 HydrophobicContact CE2-CB 4.11Å; F168-W331 HydrophobicContact CZ-CB 4.22Å; D189-W331 HydrophobicContact CB-CH2 4.02Å; D189-W331 HydrophobicContact CB-CZ3 3.87Å; R191-W331 HydrophobicContact CB-CH2 3.76Å; R191-W331 HydrophobicContact CB-CZ2 4.45Å; R191-W331 HydrophobicContact CB-CZ3 4.29Å; R191-W331 HydrophobicContact CG-CH2 3.32Å; R191-W331 HydrophobicContact CG-CZ2 4.41Å; R191-W331 HydrophobicContact CG-CZ3 3.45Å; R191-W331 VanDerWaalsContact CG-CZ3 3.45Å; F194-W331 HydrophobicContact CB-CZ2 3.92Å; Y196-W331 AromaticContact CD1-CD2 3.74Å; Y196-W331 HydrophobicContact CD1-CD2 3.74Å; Y196-W331 AromaticContact CD1-CE2 3.73Å; Y196-W331 AromaticContact CD1-CE3 3.92Å; Y196-W331 HydrophobicContact CD1-CE3 3.92Å; Y196-W331 HydrophobicContact CD1-CG 4.25Å; Y196-W331 AromaticContact CD1-CH2 3.99Å; Y196-W331 HydrophobicContact CD1-CH2 3.99Å; Y196-W331 AromaticContact CD1-CZ2 3.89Å; Y196-W331 HydrophobicContact CD1-CZ2 3.89Å; Y196-W331 HydrophobicContact CD1-CZ3 4.03Å; Y196-W331 HydrophobicContact CE1-CD2 4.06Å; Y196-W331 AromaticContact CE1-CE3 3.78Å; Y196-W331 HydrophobicContact CE1-CE3 3.78Å; Y196-W331 HydrophobicContact CE1-CH2 4.24Å; Y196-W331 AromaticContact CE1-CZ3 3.87Å; Y196-W331 HydrophobicContact CE1-CZ3 3.87Å; M327-W331 PolarHBondContact O-N 2.58Å; W331-L334 HydrophobicContact CE3-CD2 4.1Å; W331-L334 HydrophobicContact CZ3-CD2 4.22Å; W331-L334 PolarHBondContact O-N 3.11Å; W331-Y335 AromaticContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CZ3-CE2 4.42Å; W331-Y335 WeakPolarHBondContact O-CD2 3.49Å; W331-Y335 PolarHBondContact O-N 3.39Å; W331-Y335 VanDerWaalsContact O-N 3.08Å; W331-Y423 AromaticContact CD1-CD1 3.75Å; W331-Y423 AromaticContact CD1-CE1 3.39Å; W331-Y423 HydrophobicContact CG-CE1 4.11Å; W331-Y423 AromaticContact NE1-CD1 3.89Å; W331-Y423 AromaticContact NE1-CE1 3.9Å |
| 332 | R | 96.3 | Very high | 96.6 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 174 | -71.6 | 176.5 | 65.8 | -167.4 | -6.7 | 111.5 | F168 I308 H328 L329 M330 L334 K336 L363 | F168-R332 HydrophobicContact CD2-CG 3.98Å; F168-R332 HydrophobicContact CE2-CB 4.44Å; F168-R332 HydrophobicContact CE2-CG 3.73Å; I308-R332 PolarHBondContact O-NH1 3.14Å; H328-R332 VanDerWaalsContact O-CG 3.29Å; H328-R332 WeakPolarHBondContact O-CG 3.45Å; H328-R332 PolarHBondContact O-N 2.92Å; L329-R332 PolarHBondContact O-N 2.92Å; M330-R332 VanDerWaalsContact C-N 3.32Å; M330-R332 PolarHBondContact O-N 3.41Å; R332-L334 VanDerWaalsContact C-N 3.35Å; R332-K336 WeakPolarHBondContact O-CB 3.49Å; R332-K336 PolarHBondContact O-N 2.88Å; R332-L363 HydrophobicContact CB-CD1 3.71Å |
| 333 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L329 M330 K336 F337 I356 M359 V360 L363 | L329-A333 PolarHBondContact O-N 3.07Å; M330-A333 WeakPolarHBondContact O-CB 3.48Å; M330-A333 PolarHBondContact O-N 3.11Å; A333-K336 PolarHBondContact O-N 3.19Å; A333-F337 WeakPolarHBondContact O-CB 3.5Å; A333-F337 PolarHBondContact O-N 2.84Å; A333-I356 HydrophobicContact CB-CG2 4.46Å; A333-M359 HydrophobicContact CB-CB 3.83Å; A333-V360 HydrophobicContact CB-CB 4.43Å; A333-V360 HydrophobicContact CB-CG2 3.41Å; A333-V360 VanDerWaalsContact CB-CG2 3.41Å; A333-L363 HydrophobicContact CB-CD1 4Å |
| 334 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 178.2 | -179.5 | 63 | 0 | 0 | 0 | 112.2 | R191 M330 W331 R332 F337 C338 M344 P345 I356 L384 A388 | R191-L334 HydrophobicContact CG-CD2 4.31Å; M330-L334 WeakPolarHBondContact O-CB 3.21Å; M330-L334 PolarHBondContact O-N 2.93Å; W331-L334 HydrophobicContact CE3-CD2 4.1Å; W331-L334 HydrophobicContact CZ3-CD2 4.22Å; W331-L334 PolarHBondContact O-N 3.11Å; R332-L334 VanDerWaalsContact C-N 3.35Å; L334-F337 WeakPolarHBondContact O-CB 3.27Å; L334-F337 PolarHBondContact O-N 3.49Å; L334-C338 PolarHBondContact O-N 3.37Å; L334-C338 PolarHBondContact O-SG 3.36Å; L334-M344 HydrophobicContact CD1-SD 4.31Å; L334-P345 HydrophobicContact CD1-CG 3.62Å; L334-I356 HydrophobicContact CD1-CD1 4.33Å; L334-L384 HydrophobicContact CB-CD2 4.34Å; L334-L384 HydrophobicContact CD2-CD1 4.32Å; L334-L384 HydrophobicContact CD2-CD2 4.24Å; L334-L384 HydrophobicContact CD2-CG 4.27Å; L334-A388 HydrophobicContact CD1-CB 3.81Å; L334-A388 HydrophobicContact CD2-CB 4.46Å |
| 335 | Y | 96 | Very high | 96.8 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.8 | -33.9 | 177.3 | -68.3 | -63.5 | 0 | 0 | 0 | 112.8 | M166 F168 D189 Y196 W331 F337 C338 Q339 | M166-Y335 WeakPolarHBondContact O-CE1 3.31Å; F168-Y335 HydrophobicContact CD1-CD2 4.39Å; F168-Y335 HydrophobicContact CD1-CE2 4.34Å; F168-Y335 AromaticContact CD2-CD2 3.45Å; F168-Y335 HydrophobicContact CD2-CD2 3.45Å; F168-Y335 VanDerWaalsContact CD2-CD2 3.45Å; F168-Y335 HydrophobicContact CD2-CE2 4.08Å; F168-Y335 HydrophobicContact CD2-CG 4.35Å; F168-Y335 HydrophobicContact CE1-CD2 4.46Å; F168-Y335 HydrophobicContact CE1-CE2 4.13Å; F168-Y335 AromaticContact CE2-CD2 3.57Å; F168-Y335 HydrophobicContact CE2-CD2 3.57Å; F168-Y335 AromaticContact CE2-CE2 3.88Å; F168-Y335 HydrophobicContact CE2-CE2 3.88Å; F168-Y335 AromaticContact CG-CD2 3.88Å; F168-Y335 HydrophobicContact CG-CD2 3.88Å; F168-Y335 HydrophobicContact CG-CE2 4.28Å; F168-Y335 HydrophobicContact CZ-CD2 4.07Å; F168-Y335 AromaticContact CZ-CE2 3.9Å; F168-Y335 HydrophobicContact CZ-CE2 3.9Å; D189-Y335 WeakPolarHBondContact CB-OH 3.31Å; D189-Y335 PolarHBondContact OD2-OH 3.19Å; Y196-Y335 HydrophobicContact CE1-CE2 4.42Å; W331-Y335 AromaticContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CZ3-CE2 4.42Å; W331-Y335 WeakPolarHBondContact O-CD2 3.49Å; W331-Y335 PolarHBondContact O-N 3.39Å; W331-Y335 VanDerWaalsContact O-N 3.08Å; Y335-F337 VanDerWaalsContact C-N 3.3Å; Y335-F337 PolarHBondContact O-N 3.15Å; Y335-C338 WeakPolarHBondContact O-CB 3.44Å; Y335-C338 PolarHBondContact O-N 2.93Å; Y335-Q339 PolarHBondContact O-N 2.75Å |
| 336 | K | 95.7 | Very high | 96.7 | Very high | 72 Ų | 72 | 37 Ų | 37 | 31% | 0.313 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 171.2 | -176 | -176.7 | 178.7 | -171.2 | 0 | 110.7 | R332 A333 C338 Q339 V340 M359 E362 | R332-K336 WeakPolarHBondContact O-CB 3.49Å; R332-K336 PolarHBondContact O-N 2.88Å; A333-K336 PolarHBondContact O-N 3.19Å; K336-C338 VanDerWaalsContact C-N 3.34Å; K336-C338 PolarHBondContact O-N 3.36Å; K336-Q339 WeakPolarHBondContact O-CB 3.3Å; K336-Q339 PolarHBondContact O-N 2.76Å; K336-V340 VanDerWaalsContact O-CG2 3.25Å; K336-V340 WeakPolarHBondContact O-CG2 3.29Å; K336-V340 PolarHBondContact O-N 3.46Å; K336-M359 HydrophobicContact CB-SD 4.41Å; K336-M359 HydrophobicContact CD-CG 4.44Å; K336-M359 HydrophobicContact CD-SD 4.27Å; K336-M359 HydrophobicContact CG-SD 4.25Å; K336-E362 IonicContact NZ-OE2 3.36Å; K336-E362 PolarHBondContact NZ-OE2 3.2Å |
| 337 | F | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 174.2 | 179.4 | -77.5 | 0 | 0 | 0 | 111.5 | A333 L334 Y335 Q339 V340 H341 P345 D352 Q355 I356 M359 | A333-F337 WeakPolarHBondContact O-CB 3.5Å; A333-F337 PolarHBondContact O-N 2.84Å; L334-F337 WeakPolarHBondContact O-CB 3.27Å; L334-F337 PolarHBondContact O-N 3.49Å; Y335-F337 VanDerWaalsContact C-N 3.3Å; Y335-F337 PolarHBondContact O-N 3.15Å; F337-Q339 VanDerWaalsContact C-N 3.28Å; F337-Q339 PolarHBondContact O-N 3.25Å; F337-V340 PolarHBondContact O-N 3.36Å; F337-H341 HydrophobicContact CD1-CB 4.49Å; F337-H341 AromaticContact CD1-CD2 3.89Å; F337-H341 AromaticContact CD2-CD2 3.58Å; F337-H341 AromaticContact CD2-NE2 3.92Å; F337-H341 HydrophobicContact CE1-CB 4.12Å; F337-H341 AromaticContact CE1-CD2 3.71Å; F337-H341 AromaticContact CE2-CD2 3.4Å; F337-H341 VanDerWaalsContact CE2-CD2 3.4Å; F337-H341 WeakPolarHBondContact CE2-CD2 3.25Å; F337-H341 AromaticContact CE2-NE2 3.56Å; F337-H341 AromaticContact CG-CD2 3.81Å; F337-H341 HydrophobicContact CZ-CB 4.47Å; F337-H341 AromaticContact CZ-CD2 3.46Å; F337-H341 VanDerWaalsContact CZ-CD2 3.46Å; F337-H341 WeakPolarHBondContact CZ-CD2 3.1Å; F337-H341 AromaticContact CZ-NE2 3.92Å; F337-H341 PolarHBondContact O-CD2 3.46Å; F337-H341 PolarHBondContact O-N 2.68Å; F337-P345 HydrophobicContact CD1-CG 3.79Å; F337-P345 HydrophobicContact CE1-CB 4.29Å; F337-P345 HydrophobicContact CE1-CG 3.82Å; F337-P345 HydrophobicContact CG-CG 4.28Å; F337-P345 HydrophobicContact CZ-CB 4.49Å; F337-P345 HydrophobicContact CZ-CG 4.3Å; F337-D352 HydrophobicContact CE2-CB 4.17Å; F337-D352 HydrophobicContact CZ-CB 3.99Å; F337-Q355 HydrophobicContact CD2-CG 4.44Å; F337-Q355 HydrophobicContact CE2-CB 4.45Å; F337-I356 HydrophobicContact CB-CD1 3.4Å; F337-I356 HydrophobicContact CB-CG1 4.5Å; F337-I356 HydrophobicContact CD2-CD1 3.82Å; F337-I356 HydrophobicContact CD2-CG1 4.04Å; F337-I356 HydrophobicContact CG-CD1 3.73Å; F337-I356 HydrophobicContact CG-CG1 4.38Å; F337-M359 HydrophobicContact CB-CE 4.4Å; F337-M359 HydrophobicContact CB-SD 3.93Å; F337-M359 HydrophobicContact CD2-CE 4.39Å |
| 338 | C | 95.7 | Very high | 96.6 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -38 | 179 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | L334 Y335 K336 G342 R343 M344 | L334-C338 PolarHBondContact O-N 3.37Å; L334-C338 PolarHBondContact O-SG 3.36Å; Y335-C338 WeakPolarHBondContact O-CB 3.44Å; Y335-C338 PolarHBondContact O-N 2.93Å; K336-C338 VanDerWaalsContact C-N 3.34Å; K336-C338 PolarHBondContact O-N 3.36Å; C338-G342 VanDerWaalsContact O-CA 3.25Å; C338-G342 WeakPolarHBondContact O-CA 3.38Å; C338-G342 PolarHBondContact O-N 2.84Å; C338-R343 WeakPolarHBondContact CA-O 3.45Å; C338-M344 PolarHBondContact SG-SD 3.34Å |
| 339 | Q | 93.3 | Very high | 96.6 | Very high | 128 Ų | 128 | 38.7 Ų | 38.7 | 60% | 0.598 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.5 | -41.6 | 175.6 | -176.7 | 178.1 | 34.4 | 0 | 0 | 112 | D169 Y335 K336 F337 | D169-Q339 PolarHBondContact OD2-NE2 2.97Å; Y335-Q339 PolarHBondContact O-N 2.75Å; K336-Q339 WeakPolarHBondContact O-CB 3.3Å; K336-Q339 PolarHBondContact O-N 2.76Å; F337-Q339 VanDerWaalsContact C-N 3.28Å; F337-Q339 PolarHBondContact O-N 3.25Å |
| 340 | V | 95.8 | Very high | 96.5 | Very high | 88 Ų | 88 | 43 Ų | 43 | 53% | 0.533 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.6 | -42.7 | -179.7 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | K336 F337 M359 | K336-V340 VanDerWaalsContact O-CG2 3.25Å; K336-V340 WeakPolarHBondContact O-CG2 3.29Å; K336-V340 PolarHBondContact O-N 3.46Å; F337-V340 PolarHBondContact O-N 3.36Å; V340-M359 HydrophobicContact CG2-CE 4.44Å |
| 341 | H | 96.8 | Very high | 96.5 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -100.8 | -9.9 | -171.4 | -69.2 | -75.5 | 0 | 0 | 0 | 114.7 | F337 R343 Q355 | F337-H341 HydrophobicContact CD1-CB 4.49Å; F337-H341 AromaticContact CD1-CD2 3.89Å; F337-H341 AromaticContact CD2-CD2 3.58Å; F337-H341 AromaticContact CD2-NE2 3.92Å; F337-H341 HydrophobicContact CE1-CB 4.12Å; F337-H341 AromaticContact CE1-CD2 3.71Å; F337-H341 AromaticContact CE2-CD2 3.4Å; F337-H341 VanDerWaalsContact CE2-CD2 3.4Å; F337-H341 WeakPolarHBondContact CE2-CD2 3.25Å; F337-H341 AromaticContact CE2-NE2 3.56Å; F337-H341 AromaticContact CG-CD2 3.81Å; F337-H341 HydrophobicContact CZ-CB 4.47Å; F337-H341 AromaticContact CZ-CD2 3.46Å; F337-H341 VanDerWaalsContact CZ-CD2 3.46Å; F337-H341 WeakPolarHBondContact CZ-CD2 3.1Å; F337-H341 AromaticContact CZ-NE2 3.92Å; F337-H341 PolarHBondContact O-CD2 3.46Å; F337-H341 PolarHBondContact O-N 2.68Å; H341-R343 HydrophobicContact CB-CG 4.05Å; H341-R343 PolarHBondContact O-N 3.12Å; H341-Q355 PolarHBondContact CE1-OE1 3.32Å; H341-Q355 VanDerWaalsContact NE2-CD 3.34Å; H341-Q355 PolarHBondContact NE2-NE2 2.63Å; H341-Q355 PolarHBondContact NE2-OE1 3.03Å |
| 342 | G | 94.9 | Very high | 96.6 | Very high | 72 Ų | 72 | 46 Ų | 46 | 74% | 0.742 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 66.7 | 14.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C338 | C338-G342 VanDerWaalsContact O-CA 3.25Å; C338-G342 WeakPolarHBondContact O-CA 3.38Å; C338-G342 PolarHBondContact O-N 2.84Å |
| 343 | R | 95.2 | Very high | 96.7 | Very high | 87 Ų | 87 | 43.4 Ų | 43.4 | 33% | 0.328 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -151.9 | 159.1 | -179.3 | 63.5 | 167.8 | -176.4 | 82.7 | -2.5 | 111.9 | C338 H341 D352 | C338-R343 WeakPolarHBondContact CA-O 3.45Å; H341-R343 HydrophobicContact CB-CG 4.05Å; H341-R343 PolarHBondContact O-N 3.12Å; R343-D352 IonicContact CZ-OD1 2.97Å; R343-D352 IonicContact CZ-OD2 3.33Å; R343-D352 IonicContact NH1-OD2 2.64Å; R343-D352 PolarHBondContact NH1-OD2 3.28Å; R343-D352 IonicContact NH2-OD1 2.89Å; R343-D352 PolarHBondContact NH2-OD1 2.88Å; R343-D352 IonicContact NH2-OD2 3.4Å; R343-D352 PolarHBondContact NH2-OD2 3.29Å |
| 344 | M | 95.5 | Very high | 96.7 | Very high | 40 Ų | 40 | 48 Ų | 48 | 20% | 0.197 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 156.1 | 165 | -71.7 | -74.9 | 172.3 | 0 | 0 | 111.2 | L334 C338 A388 L389 | L334-M344 HydrophobicContact CD1-SD 4.31Å; C338-M344 PolarHBondContact SG-SD 3.34Å; M344-A388 HydrophobicContact SD-CB 4.34Å; M344-L389 HydrophobicContact CB-CD2 3.79Å; M344-L389 HydrophobicContact CB-CG 4.03Å; M344-L389 HydrophobicContact CG-CD2 4.25Å |
| 345 | P | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 143.5 | 167.6 | -26.2 | 34.8 | 0 | 0 | 0 | 112.1 | L334 F337 D352 I356 S385 A388 L389 | L334-P345 HydrophobicContact CD1-CG 3.62Å; F337-P345 HydrophobicContact CD1-CG 3.79Å; F337-P345 HydrophobicContact CE1-CB 4.29Å; F337-P345 HydrophobicContact CE1-CG 3.82Å; F337-P345 HydrophobicContact CG-CG 4.28Å; F337-P345 HydrophobicContact CZ-CB 4.49Å; F337-P345 HydrophobicContact CZ-CG 4.3Å; P345-D352 HydrophobicContact CB-CB 4.09Å; P345-I356 HydrophobicContact CG-CD1 4.27Å; P345-I356 HydrophobicContact CG-CG1 4.24Å; P345-S385 VanDerWaalsContact CB-OG 3.29Å; P345-S385 WeakPolarHBondContact CB-OG 3.4Å; P345-A388 HydrophobicContact CB-CB 4.32Å; P345-A388 HydrophobicContact CG-CB 4.13Å; P345-L389 WeakPolarHBondContact O-CD1 3.41Å |
| 346 | R | 97.3 | Very high | 96.8 | Very high | 110 Ų | 110 | 50.6 Ų | 50.6 | 42% | 0.415 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 146.7 | 176.2 | -70.7 | 168.6 | -66.5 | 168.1 | -1.2 | 110.2 | Q348 N349 D352 | R346-Q348 PolarHBondContact O-N 2.97Å; R346-N349 HydrophobicContact CB-CB 3.64Å; R346-N349 PolarHBondContact NH2-ND2 3.28Å; R346-N349 PolarHBondContact NH2-OD1 3.34Å; R346-N349 WeakPolarHBondContact O-CB 3.38Å; R346-N349 PolarHBondContact O-N 3.01Å; R346-D352 WeakPolarHBondContact CB-OD2 3.49Å; R346-D352 IonicContact CZ-OD1 3.9Å; R346-D352 IonicContact CZ-OD2 3.9Å; R346-D352 PolarHBondContact N-OD2 3.01Å; R346-D352 IonicContact NE-OD1 3.08Å; R346-D352 IonicContact NE-OD2 2.89Å; R346-D352 PolarHBondContact NE-OD2 3.46Å; R346-D352 VanDerWaalsContact NE-OD2 3.08Å; R346-D352 IonicContact NH2-OD1 3.81Å; R346-D352 PolarHBondContact NH2-OD1 3.5Å; R346-D352 IonicContact NH2-OD2 3.66Å |
| 347 | V | 96.4 | Very high | 97 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.085 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 130 | -179.7 | -179 | 0 | 0 | 0 | 0 | 110.6 | N349 L389 C445 A457 | V347-N349 PolarHBondContact O-N 3.39Å; V347-L389 HydrophobicContact CG2-CB 3.99Å; V347-L389 HydrophobicContact CG2-CD1 3.91Å; V347-C445 HydrophobicContact CG1-CB 3.33Å; V347-A457 HydrophobicContact CG1-CB 4.2Å; V347-A457 WeakPolarHBondContact CG1-O 3.48Å; V347-A457 HydrophobicContact CG2-CB 3.94Å |
| 348 | Q | 96 | Very high | 97 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 17.7 | -179.3 | -58 | -60.1 | -27.7 | 0 | 0 | 115.6 | R346 L350 F386 E442 C445 | R346-Q348 PolarHBondContact O-N 2.97Å; Q348-L350 PolarHBondContact O-N 3.05Å; Q348-F386 VanDerWaalsContact CA-CD1 3.47Å; Q348-F386 PolarHBondContact N-O 3Å; Q348-E442 HydrophobicContact CB-CG 4.28Å; Q348-C445 HydrophobicContact CG-CB 3.98Å |
| 349 | N | 97.7 | Very high | 97.1 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | trans | -83.6 | 115.2 | -175.9 | -175.5 | -94.3 | 0 | 0 | 0 | 111.9 | R346 V347 A351 D352 A353 E442 | R346-N349 HydrophobicContact CB-CB 3.64Å; R346-N349 PolarHBondContact NH2-ND2 3.28Å; R346-N349 PolarHBondContact NH2-OD1 3.34Å; R346-N349 WeakPolarHBondContact O-CB 3.38Å; R346-N349 PolarHBondContact O-N 3.01Å; V347-N349 PolarHBondContact O-N 3.39Å; N349-A351 PolarHBondContact O-N 2.83Å; N349-A351 PolarHBondContact OD1-N 3.39Å; N349-D352 HydrophobicContact CB-CB 4.32Å; N349-D352 VanDerWaalsContact OD1-CG 3.28Å; N349-D352 PolarHBondContact OD1-N 3.37Å; N349-D352 PolarHBondContact OD1-OD1 2.99Å; N349-A353 WeakPolarHBondContact O-CB 3.43Å; N349-A353 PolarHBondContact O-N 2.91Å; N349-A353 VanDerWaalsContact O-N 3.09Å; N349-E442 WeakPolarHBondContact CA-OE1 3.2Å; N349-E442 PolarHBondContact ND2-OE1 2.61Å | ||
| 350 | L | 97.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 43.9 Ų | 43.9 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.8 | -39.7 | -174.6 | -174.3 | 62.5 | 0 | 0 | 0 | 113.1 | Q348 A353 E354 F386 | Q348-L350 PolarHBondContact O-N 3.05Å; L350-A353 PolarHBondContact O-N 3.12Å; L350-E354 HydrophobicContact CD1-CG 4.31Å; L350-E354 HydrophobicContact CG-CG 4.4Å; L350-E354 WeakPolarHBondContact O-CG 3.25Å; L350-E354 PolarHBondContact O-N 3.3Å; L350-F386 HydrophobicContact CD1-CZ 4.34Å |
| 351 | A | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 48% | 0.479 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.6 | -45.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N349 A353 E354 Q355 | N349-A351 PolarHBondContact O-N 2.83Å; N349-A351 PolarHBondContact OD1-N 3.39Å; A351-A353 VanDerWaalsContact C-N 3.27Å; A351-A353 PolarHBondContact O-N 3.5Å; A351-E354 PolarHBondContact O-N 2.91Å; A351-Q355 PolarHBondContact O-N 2.82Å; A351-Q355 VanDerWaalsContact O-N 3.08Å |
| 352 | D | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 174.1 | -67.1 | 0.3 | 0 | 0 | 0 | 110.4 | F337 R343 P345 R346 N349 Q355 I356 | F337-D352 HydrophobicContact CE2-CB 4.17Å; F337-D352 HydrophobicContact CZ-CB 3.99Å; R343-D352 IonicContact CZ-OD1 2.97Å; R343-D352 IonicContact CZ-OD2 3.33Å; R343-D352 IonicContact NH1-OD2 2.64Å; R343-D352 PolarHBondContact NH1-OD2 3.28Å; R343-D352 IonicContact NH2-OD1 2.89Å; R343-D352 PolarHBondContact NH2-OD1 2.88Å; R343-D352 IonicContact NH2-OD2 3.4Å; R343-D352 PolarHBondContact NH2-OD2 3.29Å; P345-D352 HydrophobicContact CB-CB 4.09Å; R346-D352 WeakPolarHBondContact CB-OD2 3.49Å; R346-D352 IonicContact CZ-OD1 3.9Å; R346-D352 IonicContact CZ-OD2 3.9Å; R346-D352 PolarHBondContact N-OD2 3.01Å; R346-D352 IonicContact NE-OD1 3.08Å; R346-D352 IonicContact NE-OD2 2.89Å; R346-D352 PolarHBondContact NE-OD2 3.46Å; R346-D352 VanDerWaalsContact NE-OD2 3.08Å; R346-D352 IonicContact NH2-OD1 3.81Å; R346-D352 PolarHBondContact NH2-OD1 3.5Å; R346-D352 IonicContact NH2-OD2 3.66Å; N349-D352 HydrophobicContact CB-CB 4.32Å; N349-D352 VanDerWaalsContact OD1-CG 3.28Å; N349-D352 PolarHBondContact OD1-N 3.37Å; N349-D352 PolarHBondContact OD1-OD1 2.99Å; D352-Q355 PolarHBondContact O-N 3.43Å; D352-I356 WeakPolarHBondContact O-CG1 3.47Å; D352-I356 PolarHBondContact O-N 3.05Å |
| 353 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N349 L350 A351 Q355 I356 V357 K382 S385 F386 | N349-A353 WeakPolarHBondContact O-CB 3.43Å; N349-A353 PolarHBondContact O-N 2.91Å; N349-A353 VanDerWaalsContact O-N 3.09Å; L350-A353 PolarHBondContact O-N 3.12Å; A351-A353 VanDerWaalsContact C-N 3.27Å; A351-A353 PolarHBondContact O-N 3.5Å; A353-Q355 VanDerWaalsContact C-N 3.34Å; A353-I356 PolarHBondContact O-N 2.83Å; A353-V357 WeakPolarHBondContact O-CG2 2.91Å; A353-V357 PolarHBondContact O-N 2.87Å; A353-K382 HydrophobicContact CB-CB 4.27Å; A353-K382 HydrophobicContact CB-CG 4.02Å; A353-S385 WeakPolarHBondContact CA-OG 3.37Å; A353-F386 HydrophobicContact CB-CD1 3.86Å; A353-F386 HydrophobicContact CB-CE1 3.36Å; A353-F386 HydrophobicContact CB-CZ 3.97Å |
| 354 | E | 98.6 | Very high | 97.8 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 173.5 | -74.9 | 175.8 | 172.3 | 0 | 0 | 111.7 | L350 A351 I356 V357 S358 K382 | L350-E354 HydrophobicContact CD1-CG 4.31Å; L350-E354 HydrophobicContact CG-CG 4.4Å; L350-E354 WeakPolarHBondContact O-CG 3.25Å; L350-E354 PolarHBondContact O-N 3.3Å; A351-E354 PolarHBondContact O-N 2.91Å; E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 3.3Å; E354-V357 WeakPolarHBondContact O-CB 3.48Å; E354-V357 PolarHBondContact O-N 2.87Å; E354-S358 PolarHBondContact O-N 3.31Å; E354-S358 PolarHBondContact O-OG 3.21Å; E354-K382 IonicContact OE1-NZ 3.91Å |
| 355 | Q | 98.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 175 | -171.3 | 174.2 | 20.9 | 0 | 0 | 112.3 | F337 H341 A351 D352 A353 V357 S358 M359 | F337-Q355 HydrophobicContact CD2-CG 4.44Å; F337-Q355 HydrophobicContact CE2-CB 4.45Å; H341-Q355 PolarHBondContact CE1-OE1 3.32Å; H341-Q355 VanDerWaalsContact NE2-CD 3.34Å; H341-Q355 PolarHBondContact NE2-NE2 2.63Å; H341-Q355 PolarHBondContact NE2-OE1 3.03Å; A351-Q355 PolarHBondContact O-N 2.82Å; A351-Q355 VanDerWaalsContact O-N 3.08Å; D352-Q355 PolarHBondContact O-N 3.43Å; A353-Q355 VanDerWaalsContact C-N 3.34Å; Q355-V357 VanDerWaalsContact C-N 3.34Å; Q355-S358 PolarHBondContact O-N 2.89Å; Q355-M359 HydrophobicContact CG-CE 3.98Å; Q355-M359 WeakPolarHBondContact O-CG 3.2Å; Q355-M359 PolarHBondContact O-N 2.89Å |
| 356 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 173.2 | -71.1 | -74.6 | 0 | 0 | 0 | 110.5 | A333 L334 F337 P345 D352 A353 E354 S358 M359 V360 | A333-I356 HydrophobicContact CB-CG2 4.46Å; L334-I356 HydrophobicContact CD1-CD1 4.33Å; F337-I356 HydrophobicContact CB-CD1 3.4Å; F337-I356 HydrophobicContact CB-CG1 4.5Å; F337-I356 HydrophobicContact CD2-CD1 3.82Å; F337-I356 HydrophobicContact CD2-CG1 4.04Å; F337-I356 HydrophobicContact CG-CD1 3.73Å; F337-I356 HydrophobicContact CG-CG1 4.38Å; P345-I356 HydrophobicContact CG-CD1 4.27Å; P345-I356 HydrophobicContact CG-CG1 4.24Å; D352-I356 WeakPolarHBondContact O-CG1 3.47Å; D352-I356 PolarHBondContact O-N 3.05Å; A353-I356 PolarHBondContact O-N 2.83Å; E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 3.3Å; I356-S358 PolarHBondContact O-N 2.85Å; I356-M359 WeakPolarHBondContact O-CB 3.42Å; I356-M359 PolarHBondContact O-N 2.9Å; I356-M359 VanDerWaalsContact O-N 3.15Å; I356-V360 HydrophobicContact CG2-CG2 4.42Å; I356-V360 WeakPolarHBondContact O-CG2 3.46Å; I356-V360 PolarHBondContact O-N 3.48Å |
| 357 | V | 98.7 | Very high | 97.6 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 111 | A353 E354 Q355 M359 V360 E361 A378 A381 K382 | A353-V357 WeakPolarHBondContact O-CG2 2.91Å; A353-V357 PolarHBondContact O-N 2.87Å; E354-V357 WeakPolarHBondContact O-CB 3.48Å; E354-V357 PolarHBondContact O-N 2.87Å; Q355-V357 VanDerWaalsContact C-N 3.34Å; V357-M359 VanDerWaalsContact C-N 3.3Å; V357-M359 PolarHBondContact O-N 3.47Å; V357-V360 WeakPolarHBondContact O-CB 3.25Å; V357-V360 PolarHBondContact O-N 3.18Å; V357-V360 VanDerWaalsContact O-N 3.08Å; V357-E361 WeakPolarHBondContact O-CG 3.07Å; V357-E361 PolarHBondContact O-N 3.47Å; V357-A378 HydrophobicContact CG1-CB 3.94Å; V357-A378 HydrophobicContact CG2-CB 4.26Å; V357-A381 HydrophobicContact CG2-CB 3.92Å; V357-K382 HydrophobicContact CG2-CG 3.8Å |
| 358 | S | 98.5 | Very high | 97.5 | Very high | 58 Ų | 58 | 45 Ų | 45 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.3 | -42.6 | 175.6 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | E354 Q355 I356 V360 E361 E362 | E354-S358 PolarHBondContact O-N 3.31Å; E354-S358 PolarHBondContact O-OG 3.21Å; Q355-S358 PolarHBondContact O-N 2.89Å; I356-S358 PolarHBondContact O-N 2.85Å; S358-V360 VanDerWaalsContact C-N 3.32Å; S358-V360 PolarHBondContact O-N 3.07Å; S358-E361 PolarHBondContact O-N 3.48Å; S358-E362 WeakPolarHBondContact O-CG 3.45Å; S358-E362 PolarHBondContact O-N 2.52Å |
| 359 | M | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.064 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 177 | -71.5 | -178.7 | -178.4 | 0 | 0 | 112.6 | A333 K336 F337 V340 Q355 I356 V357 L363 | A333-M359 HydrophobicContact CB-CB 3.83Å; K336-M359 HydrophobicContact CB-SD 4.41Å; K336-M359 HydrophobicContact CD-CG 4.44Å; K336-M359 HydrophobicContact CD-SD 4.27Å; K336-M359 HydrophobicContact CG-SD 4.25Å; F337-M359 HydrophobicContact CB-CE 4.4Å; F337-M359 HydrophobicContact CB-SD 3.93Å; F337-M359 HydrophobicContact CD2-CE 4.39Å; V340-M359 HydrophobicContact CG2-CE 4.44Å; Q355-M359 HydrophobicContact CG-CE 3.98Å; Q355-M359 WeakPolarHBondContact O-CG 3.2Å; Q355-M359 PolarHBondContact O-N 2.89Å; I356-M359 WeakPolarHBondContact O-CB 3.42Å; I356-M359 PolarHBondContact O-N 2.9Å; I356-M359 VanDerWaalsContact O-N 3.15Å; V357-M359 VanDerWaalsContact C-N 3.3Å; V357-M359 PolarHBondContact O-N 3.47Å; M359-L363 WeakPolarHBondContact O-CB 3.3Å; M359-L363 VanDerWaalsContact O-CG 3.24Å; M359-L363 WeakPolarHBondContact O-CG 3.3Å; M359-L363 PolarHBondContact O-N 2.98Å |
| 360 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | L329 M330 A333 I356 V357 S358 L363 N364 V376 A381 | L329-V360 HydrophobicContact CB-CG1 3.99Å; M330-V360 HydrophobicContact CB-CG2 4.39Å; M330-V360 HydrophobicContact CG-CG1 4.43Å; M330-V360 HydrophobicContact CG-CG2 3.99Å; A333-V360 HydrophobicContact CB-CB 4.43Å; A333-V360 HydrophobicContact CB-CG2 3.41Å; A333-V360 VanDerWaalsContact CB-CG2 3.41Å; I356-V360 HydrophobicContact CG2-CG2 4.42Å; I356-V360 WeakPolarHBondContact O-CG2 3.46Å; I356-V360 PolarHBondContact O-N 3.48Å; V357-V360 WeakPolarHBondContact O-CB 3.25Å; V357-V360 PolarHBondContact O-N 3.18Å; V357-V360 VanDerWaalsContact O-N 3.08Å; S358-V360 VanDerWaalsContact C-N 3.32Å; S358-V360 PolarHBondContact O-N 3.07Å; V360-L363 PolarHBondContact O-N 3.36Å; V360-N364 WeakPolarHBondContact O-CB 3.41Å; V360-N364 PolarHBondContact O-N 3.3Å; V360-V376 HydrophobicContact CB-CG1 4.18Å; V360-V376 HydrophobicContact CG1-CB 4.42Å; V360-V376 HydrophobicContact CG1-CG1 3.51Å; V360-V376 HydrophobicContact CG1-CG2 4Å; V360-A381 HydrophobicContact CG2-CB 4.41Å |
| 361 | E | 98.4 | Very high | 96.8 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.1 | -69.1 | 173.6 | 165.1 | 0 | 0 | 112 | V357 S358 L363 N364 A365 V376 | V357-E361 WeakPolarHBondContact O-CG 3.07Å; V357-E361 PolarHBondContact O-N 3.47Å; S358-E361 PolarHBondContact O-N 3.48Å; E361-L363 PolarHBondContact O-N 3.11Å; E361-N364 PolarHBondContact O-N 3.46Å; E361-A365 WeakPolarHBondContact O-CB 3.16Å; E361-A365 PolarHBondContact O-N 3.13Å; E361-V376 HydrophobicContact CG-CB 4.21Å; E361-V376 HydrophobicContact CG-CG1 4.36Å; E361-V376 HydrophobicContact CG-CG2 4.04Å |
| 362 | E | 97.8 | Very high | 96.7 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 173.5 | -73.1 | 173.7 | -172.4 | 0 | 0 | 112.5 | K336 S358 N364 A365 S366 | K336-E362 IonicContact NZ-OE2 3.36Å; K336-E362 PolarHBondContact NZ-OE2 3.2Å; S358-E362 WeakPolarHBondContact O-CG 3.45Å; S358-E362 PolarHBondContact O-N 2.52Å; E362-N364 VanDerWaalsContact C-N 3.34Å; E362-A365 PolarHBondContact O-N 3.44Å; E362-S366 PolarHBondContact O-N 3.2Å; E362-S366 PolarHBondContact O-OG 2.77Å |
| 363 | L | 97 | Very high | 96.6 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -39 | 178.3 | -73.5 | 171.2 | 0 | 0 | 0 | 111.3 | L329 R332 A333 M359 V360 E361 S366 A367 | L329-L363 HydrophobicContact CD2-CB 4.01Å; R332-L363 HydrophobicContact CB-CD1 3.71Å; A333-L363 HydrophobicContact CB-CD1 4Å; M359-L363 WeakPolarHBondContact O-CB 3.3Å; M359-L363 VanDerWaalsContact O-CG 3.24Å; M359-L363 WeakPolarHBondContact O-CG 3.3Å; M359-L363 PolarHBondContact O-N 2.98Å; V360-L363 PolarHBondContact O-N 3.36Å; E361-L363 PolarHBondContact O-N 3.11Å; L363-S366 PolarHBondContact O-N 3.2Å; L363-S366 PolarHBondContact O-OG 2.63Å; L363-A367 WeakPolarHBondContact O-CB 3.32Å; L363-A367 PolarHBondContact O-N 2.97Å |
| 364 | N | 97.7 | Very high | 96.4 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 177.3 | -169.8 | 44.8 | 0 | 0 | 0 | 112 | L329 V360 E361 E362 S366 A367 R372 V373 V376 | L329-N364 HydrophobicContact CD1-CB 3.96Å; V360-N364 WeakPolarHBondContact O-CB 3.41Å; V360-N364 PolarHBondContact O-N 3.3Å; E361-N364 PolarHBondContact O-N 3.46Å; E362-N364 VanDerWaalsContact C-N 3.34Å; N364-S366 PolarHBondContact O-N 3.27Å; N364-A367 WeakPolarHBondContact O-CB 3.14Å; N364-A367 PolarHBondContact O-N 3.07Å; N364-R372 WeakPolarHBondContact OD1-CA 3.29Å; N364-R372 WeakPolarHBondContact OD1-CG 3.37Å; N364-V373 PolarHBondContact ND2-O 2.98Å; N364-V373 WeakPolarHBondContact OD1-CG2 3.49Å; N364-V373 PolarHBondContact OD1-N 3.22Å; N364-V376 HydrophobicContact CB-CG2 4Å |
| 365 | A | 97.2 | Very high | 96.3 | Very high | 74 Ų | 74 | 68.2 Ų | 68.2 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.2 | -32.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E361 E362 | E361-A365 WeakPolarHBondContact O-CB 3.16Å; E361-A365 PolarHBondContact O-N 3.13Å; E362-A365 PolarHBondContact O-N 3.44Å |
| 366 | S | 95.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 65.7 Ų | 65.7 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -95.3 | -2.5 | 178.8 | 56 | 0 | 0 | 0 | 0 | 114.4 | E362 L363 N364 | E362-S366 PolarHBondContact O-N 3.2Å; E362-S366 PolarHBondContact O-OG 2.77Å; L363-S366 PolarHBondContact O-N 3.2Å; L363-S366 PolarHBondContact O-OG 2.63Å; N364-S366 PolarHBondContact O-N 3.27Å |
| 367 | A | 94.8 | Very high | 96.2 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -72.7 | 153.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L329 L363 N364 L371 R372 | L329-A367 HydrophobicContact CD2-CB 4.41Å; L363-A367 WeakPolarHBondContact O-CB 3.32Å; L363-A367 PolarHBondContact O-N 2.97Å; N364-A367 WeakPolarHBondContact O-CB 3.14Å; N364-A367 PolarHBondContact O-N 3.07Å; A367-L371 HydrophobicContact CB-CB 4.25Å; A367-L371 HydrophobicContact CB-CD2 4.13Å; A367-L371 HydrophobicContact CB-CG 4.13Å; A367-R372 HydrophobicContact CB-CB 4.47Å; A367-R372 PolarHBondContact O-NH2 3.07Å |
| 368 | L | 94.3 | Very high | 96.2 | Very high | 93 Ų | 93 | 69.9 Ų | 69.9 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | trans | -61.3 | 154.7 | 166.4 | -63.9 | 179.3 | 0 | 0 | 0 | 110.4 | E310 S370 L371 R372 | E310-L368 HydrophobicContact CB-CD1 4.18Å; L368-S370 PolarHBondContact O-N 2.84Å; L368-L371 PolarHBondContact O-N 3.18Å; L368-R372 WeakPolarHBondContact O-CB 3.32Å; L368-R372 PolarHBondContact O-N 2.95Å | ||
| 369 | E | 91.9 | Very high | 96.1 | Very high | 175 Ų | 175 | 76.2 Ų | 76.2 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -36.5 | -177.5 | -172.9 | 165.6 | -156.7 | 0 | 0 | 113 | L371 R372 | E369-L371 VanDerWaalsContact C-N 3.29Å; E369-L371 PolarHBondContact O-N 3.14Å; E369-R372 PolarHBondContact O-N 2.86Å |
| 370 | S | 89.8 | Confident | 96.1 | Very high | 71 Ų | 71 | 75.7 Ų | 75.7 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.2 | 177.4 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | N325 L368 | N325-S370 PolarHBondContact ND2-O 3.15Å; N325-S370 VanDerWaalsContact ND2-O 3.08Å; L368-S370 PolarHBondContact O-N 2.84Å |
| 371 | L | 94.8 | Very high | 96 | Very high | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -29.4 | 177.9 | 174.8 | 58.7 | 0 | 0 | 0 | 112.1 | P311 F313 N325 H328 L329 A367 L368 E369 V373 | P311-L371 HydrophobicContact CG-CD1 3.98Å; F313-L371 HydrophobicContact CZ-CD1 4.17Å; N325-L371 HydrophobicContact CB-CD1 4.48Å; N325-L371 WeakPolarHBondContact ND2-CA 3.34Å; N325-L371 PolarHBondContact ND2-O 2.82Å; N325-L371 VanDerWaalsContact ND2-O 3.13Å; H328-L371 HydrophobicContact CB-CD1 4.14Å; L329-L371 HydrophobicContact CD2-CD1 4.47Å; L329-L371 HydrophobicContact CD2-CD2 3.96Å; L329-L371 HydrophobicContact CD2-CG 4.08Å; L329-L371 HydrophobicContact CG-CD1 4.29Å; L329-L371 HydrophobicContact CG-CG 4.37Å; A367-L371 HydrophobicContact CB-CB 4.25Å; A367-L371 HydrophobicContact CB-CD2 4.13Å; A367-L371 HydrophobicContact CB-CG 4.13Å; L368-L371 PolarHBondContact O-N 3.18Å; E369-L371 VanDerWaalsContact C-N 3.29Å; E369-L371 PolarHBondContact O-N 3.14Å; L371-V373 PolarHBondContact O-N 2.88Å |
| 372 | R | 95.4 | Very high | 96 | Very high | 128 Ų | 128 | 73.7 Ų | 73.7 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | trans | -59 | 135.8 | -175.1 | -172.3 | 178.6 | -63.3 | 163.5 | 6 | 111.1 | N364 A367 L368 E369 | N364-R372 WeakPolarHBondContact OD1-CA 3.29Å; N364-R372 WeakPolarHBondContact OD1-CG 3.37Å; A367-R372 HydrophobicContact CB-CB 4.47Å; A367-R372 PolarHBondContact O-NH2 3.07Å; L368-R372 WeakPolarHBondContact O-CB 3.32Å; L368-R372 PolarHBondContact O-N 2.95Å; E369-R372 PolarHBondContact O-N 2.86Å | ||
| 373 | V | 95.9 | Very high | 96 | Very high | 15 Ų | 15 | 69.5 Ų | 69.5 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | trans | -103.2 | 143.5 | 171.1 | -62.5 | 0 | 0 | 0 | 0 | 109.9 | N325 Q326 L329 N364 L371 K375 V376 | N325-V373 HydrophobicContact CB-CG1 3.58Å; Q326-V373 HydrophobicContact CG-CG1 4.25Å; L329-V373 HydrophobicContact CD1-CG2 4.1Å; N364-V373 PolarHBondContact ND2-O 2.98Å; N364-V373 WeakPolarHBondContact OD1-CG2 3.49Å; N364-V373 PolarHBondContact OD1-N 3.22Å; L371-V373 PolarHBondContact O-N 2.88Å; V373-K375 VanDerWaalsContact C-N 3.3Å; V373-K375 PolarHBondContact O-N 2.75Å; V373-V376 HydrophobicContact CG2-CG2 4.15Å | ||
| 374 | E | 94.4 | Very high | 96.1 | Very high | 209 Ų | 209 | 68.7 Ų | 68.7 | 98% | 0.977 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -60.2 | -43 | 178.4 | -174.7 | -175.7 | 172.3 | 0 | 0 | 111.3 | ||
| 375 | K | 96.1 | Very high | 96.1 | Very high | 172 Ų | 172 | 67.9 Ų | 67.9 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -136.8 | 128.2 | 178.2 | -174.7 | 179.3 | 178.6 | -177.6 | 0 | 110 | Q326 V373 D377 | Q326-K375 PolarHBondContact NE2-O 3.47Å; V373-K375 VanDerWaalsContact C-N 3.3Å; V373-K375 PolarHBondContact O-N 2.75Å; K375-D377 PolarHBondContact O-N 2.88Å |
| 376 | V | 97.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 65.9 Ų | 65.9 | 10% | 0.097 | 32% | 0.323 | C | S | . | . | trans | -68.1 | 128.9 | 172.8 | 171.3 | 0 | 0 | 0 | 0 | 109.6 | V360 E361 N364 V373 A378 | V360-V376 HydrophobicContact CB-CG1 4.18Å; V360-V376 HydrophobicContact CG1-CB 4.42Å; V360-V376 HydrophobicContact CG1-CG1 3.51Å; V360-V376 HydrophobicContact CG1-CG2 4Å; E361-V376 HydrophobicContact CG-CB 4.21Å; E361-V376 HydrophobicContact CG-CG1 4.36Å; E361-V376 HydrophobicContact CG-CG2 4.04Å; N364-V376 HydrophobicContact CB-CG2 4Å; V373-V376 HydrophobicContact CG2-CG2 4.15Å; V376-A378 PolarHBondContact O-N 2.85Å | ||
| 377 | D | 97.8 | Very high | 96.2 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | trans | -77.4 | 88.4 | 171 | -171.9 | -18 | 0 | 0 | 0 | 110.2 | M330 K375 R379 L380 A381 | M330-D377 HydrophobicContact CE-CB 4.25Å; M330-D377 WeakPolarHBondContact CE-O 3.49Å; K375-D377 PolarHBondContact O-N 2.88Å; D377-R379 PolarHBondContact O-N 3.27Å; D377-R379 WeakPolarHBondContact OD1-CB 3.28Å; D377-R379 PolarHBondContact OD1-N 3.48Å; D377-L380 HydrophobicContact CB-CB 3.96Å; D377-L380 VanDerWaalsContact CG-CB 3.5Å; D377-L380 PolarHBondContact O-N 2.92Å; D377-L380 PolarHBondContact OD1-N 2.68Å; D377-A381 PolarHBondContact O-N 3.32Å | ||
| 378 | A | 98 | Very high | 96.4 | Very high | 37 Ų | 37 | 61.1 Ų | 61.1 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -29.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V357 V376 K382 | V357-A378 HydrophobicContact CG1-CB 3.94Å; V357-A378 HydrophobicContact CG2-CB 4.26Å; V376-A378 PolarHBondContact O-N 2.85Å; A378-K382 WeakPolarHBondContact O-CB 3.43Å; A378-K382 VanDerWaalsContact O-CG 3.23Å; A378-K382 WeakPolarHBondContact O-CG 3.26Å; A378-K382 PolarHBondContact O-N 3.44Å |
| 379 | R | 97 | Very high | 96.5 | Very high | 191 Ų | 191 | 59.3 Ų | 59.3 | 72% | 0.721 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.4 | -47.5 | 177.9 | 177.4 | -175.1 | 172.4 | -168.4 | -1.5 | 109.6 | D377 K382 L383 | D377-R379 PolarHBondContact O-N 3.27Å; D377-R379 WeakPolarHBondContact OD1-CB 3.28Å; D377-R379 PolarHBondContact OD1-N 3.48Å; R379-K382 PolarHBondContact O-N 2.89Å; R379-L383 HydrophobicContact CG-CD1 4.39Å; R379-L383 WeakPolarHBondContact O-CG 3.2Å; R379-L383 PolarHBondContact O-N 3.41Å |
| 380 | L | 97.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 179.3 | -169.6 | 63.6 | 0 | 0 | 0 | 111.6 | F194 R323 Q326 M327 M330 D377 K382 L383 L384 I427 | F194-L380 HydrophobicContact CE1-CD1 3.71Å; F194-L380 HydrophobicContact CE1-CG 4.29Å; F194-L380 HydrophobicContact CZ-CD1 3.92Å; R323-L380 HydrophobicContact CG-CD2 4.39Å; Q326-L380 HydrophobicContact CB-CD2 4.42Å; M327-L380 HydrophobicContact CG-CD2 4.44Å; M330-L380 HydrophobicContact CE-CB 3.81Å; M330-L380 HydrophobicContact CE-CD2 3.93Å; M330-L380 HydrophobicContact CE-CG 4Å; M330-L380 HydrophobicContact SD-CB 4.16Å; M330-L380 HydrophobicContact SD-CD2 3.98Å; M330-L380 HydrophobicContact SD-CG 3.81Å; D377-L380 HydrophobicContact CB-CB 3.96Å; D377-L380 VanDerWaalsContact CG-CB 3.5Å; D377-L380 PolarHBondContact O-N 2.92Å; D377-L380 PolarHBondContact OD1-N 2.68Å; L380-K382 PolarHBondContact O-N 3.29Å; L380-L383 WeakPolarHBondContact O-CB 3.12Å; L380-L383 PolarHBondContact O-N 3.3Å; L380-L384 PolarHBondContact O-N 3.08Å; L380-I427 HydrophobicContact CD1-CD1 3.92Å; L380-I427 HydrophobicContact CD1-CG2 4.23Å |
| 381 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M330 V357 V360 D377 L384 S385 | M330-A381 HydrophobicContact CE-CB 4.07Å; M330-A381 HydrophobicContact CG-CB 3.99Å; M330-A381 HydrophobicContact SD-CB 4.24Å; V357-A381 HydrophobicContact CG2-CB 3.92Å; V360-A381 HydrophobicContact CG2-CB 4.41Å; D377-A381 PolarHBondContact O-N 3.32Å; A381-L384 PolarHBondContact O-N 3.33Å; A381-S385 PolarHBondContact O-N 3.46Å |
| 382 | K | 98.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 174 | -73.9 | -179 | -179.1 | -164.9 | 0 | 111.5 | A353 E354 V357 A378 R379 L380 L384 S385 F386 | A353-K382 HydrophobicContact CB-CB 4.27Å; A353-K382 HydrophobicContact CB-CG 4.02Å; E354-K382 IonicContact OE1-NZ 3.91Å; V357-K382 HydrophobicContact CG2-CG 3.8Å; A378-K382 WeakPolarHBondContact O-CB 3.43Å; A378-K382 VanDerWaalsContact O-CG 3.23Å; A378-K382 WeakPolarHBondContact O-CG 3.26Å; A378-K382 PolarHBondContact O-N 3.44Å; R379-K382 PolarHBondContact O-N 2.89Å; L380-K382 PolarHBondContact O-N 3.29Å; K382-L384 VanDerWaalsContact C-N 3.34Å; K382-L384 PolarHBondContact O-N 3.32Å; K382-S385 WeakPolarHBondContact O-CB 3.38Å; K382-S385 PolarHBondContact O-N 3.03Å; K382-F386 HydrophobicContact CB-CE2 4.09Å; K382-F386 HydrophobicContact CB-CZ 4.29Å; K382-F386 WeakPolarHBondContact O-CD2 3.1Å; K382-F386 WeakPolarHBondContact O-CG 3.31Å; K382-F386 PolarHBondContact O-N 3.05Å |
| 383 | L | 97.4 | Very high | 97.4 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 176.9 | -74.7 | 176.5 | 0 | 0 | 0 | 112.6 | F194 R379 L380 Q387 I427 L430 | F194-L383 HydrophobicContact CE2-CB 4.45Å; F194-L383 HydrophobicContact CZ-CB 4.16Å; R379-L383 HydrophobicContact CG-CD1 4.39Å; R379-L383 WeakPolarHBondContact O-CG 3.2Å; R379-L383 PolarHBondContact O-N 3.41Å; L380-L383 WeakPolarHBondContact O-CB 3.12Å; L380-L383 PolarHBondContact O-N 3.3Å; L383-Q387 WeakPolarHBondContact O-CB 3.17Å; L383-Q387 VanDerWaalsContact O-CG 3.26Å; L383-Q387 WeakPolarHBondContact O-CG 3.45Å; L383-Q387 PolarHBondContact O-N 3.05Å; L383-Q387 PolarHBondContact O-NE2 2.88Å; L383-I427 HydrophobicContact CD1-CD1 4.43Å; L383-I427 HydrophobicContact CD1-CG2 4.36Å; L383-L430 HydrophobicContact CD1-CD1 4.32Å; L383-L430 HydrophobicContact CD2-CD1 3.78Å |
| 384 | L | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 173.4 | 177.9 | 67.6 | 0 | 0 | 0 | 110.9 | R191 F194 M330 L334 L380 A381 K382 F386 Q387 A388 | R191-L384 HydrophobicContact CB-CD1 4.43Å; F194-L384 HydrophobicContact CB-CD1 3.88Å; F194-L384 HydrophobicContact CD1-CD1 4.27Å; F194-L384 HydrophobicContact CD2-CB 4.36Å; F194-L384 HydrophobicContact CD2-CD1 3.62Å; F194-L384 HydrophobicContact CE2-CB 4.06Å; F194-L384 HydrophobicContact CE2-CD1 4.2Å; F194-L384 HydrophobicContact CG-CD1 3.66Å; F194-L384 HydrophobicContact CZ-CB 4.15Å; M330-L384 HydrophobicContact CB-CD2 3.65Å; L334-L384 HydrophobicContact CB-CD2 4.34Å; L334-L384 HydrophobicContact CD2-CD1 4.32Å; L334-L384 HydrophobicContact CD2-CD2 4.24Å; L334-L384 HydrophobicContact CD2-CG 4.27Å; L380-L384 PolarHBondContact O-N 3.08Å; A381-L384 PolarHBondContact O-N 3.33Å; K382-L384 VanDerWaalsContact C-N 3.34Å; K382-L384 PolarHBondContact O-N 3.32Å; L384-F386 PolarHBondContact O-N 3Å; L384-Q387 CarbonylContact O-C 3.56Å; L384-Q387 PolarHBondContact O-N 2.9Å; L384-A388 PolarHBondContact O-N 2.88Å |
| 385 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 179.3 | -175 | 0 | 0 | 0 | 0 | 112.1 | P345 A353 A381 K382 Q387 A388 | P345-S385 VanDerWaalsContact CB-OG 3.29Å; P345-S385 WeakPolarHBondContact CB-OG 3.4Å; A353-S385 WeakPolarHBondContact CA-OG 3.37Å; A381-S385 PolarHBondContact O-N 3.46Å; K382-S385 WeakPolarHBondContact O-CB 3.38Å; K382-S385 PolarHBondContact O-N 3.03Å; S385-Q387 PolarHBondContact O-N 3.42Å; S385-Q387 VanDerWaalsContact O-N 3.13Å; S385-A388 WeakPolarHBondContact O-CB 3.17Å; S385-A388 PolarHBondContact O-N 3.17Å |
| 386 | F | 97.9 | Very high | 97.9 | Very high | 32 Ų | 32 | 24 Ų | 24 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.7 | -27.6 | 179.1 | -64.5 | -26.6 | 0 | 0 | 0 | 113.7 | Q348 L350 A353 K382 L384 | Q348-F386 VanDerWaalsContact CA-CD1 3.47Å; Q348-F386 PolarHBondContact N-O 3Å; L350-F386 HydrophobicContact CD1-CZ 4.34Å; A353-F386 HydrophobicContact CB-CD1 3.86Å; A353-F386 HydrophobicContact CB-CE1 3.36Å; A353-F386 HydrophobicContact CB-CZ 3.97Å; K382-F386 HydrophobicContact CB-CE2 4.09Å; K382-F386 HydrophobicContact CB-CZ 4.29Å; K382-F386 WeakPolarHBondContact O-CD2 3.1Å; K382-F386 WeakPolarHBondContact O-CG 3.31Å; K382-F386 PolarHBondContact O-N 3.05Å; L384-F386 PolarHBondContact O-N 3Å |
| 387 | Q | 97 | Very high | 97.9 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 5.8 | -175.2 | -64.6 | 174.7 | 69 | 0 | 0 | 113.3 | G192 L383 L384 S385 L389 G390 V458 | G192-Q387 PolarHBondContact N-O 3.19Å; L383-Q387 WeakPolarHBondContact O-CB 3.17Å; L383-Q387 VanDerWaalsContact O-CG 3.26Å; L383-Q387 WeakPolarHBondContact O-CG 3.45Å; L383-Q387 PolarHBondContact O-N 3.05Å; L383-Q387 PolarHBondContact O-NE2 2.88Å; L384-Q387 CarbonylContact O-C 3.56Å; L384-Q387 PolarHBondContact O-N 2.9Å; S385-Q387 PolarHBondContact O-N 3.42Å; S385-Q387 VanDerWaalsContact O-N 3.13Å; Q387-L389 PolarHBondContact O-N 3.19Å; Q387-L389 VanDerWaalsContact O-N 3.16Å; Q387-G390 WeakPolarHBondContact O-CA 3.15Å; Q387-G390 PolarHBondContact O-N 3.42Å; Q387-V458 HydrophobicContact CB-CG2 4.32Å; Q387-V458 HydrophobicContact CG-CG1 4.24Å; Q387-V458 HydrophobicContact CG-CG2 4.23Å |
| 388 | A | 97.5 | Very high | 98 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R191 L334 M344 P345 L384 S385 G390 | R191-A388 WeakPolarHBondContact CD-O 3.38Å; L334-A388 HydrophobicContact CD1-CB 3.81Å; L334-A388 HydrophobicContact CD2-CB 4.46Å; M344-A388 HydrophobicContact SD-CB 4.34Å; P345-A388 HydrophobicContact CB-CB 4.32Å; P345-A388 HydrophobicContact CG-CB 4.13Å; L384-A388 PolarHBondContact O-N 2.88Å; S385-A388 WeakPolarHBondContact O-CB 3.17Å; S385-A388 PolarHBondContact O-N 3.17Å; A388-G390 VanDerWaalsContact C-N 3.33Å |
| 389 | L | 96.8 | Very high | 98 | Very high | 55 Ų | 55 | 18.6 Ų | 18.6 | 29% | 0.288 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 3.2 | 173.6 | -73.7 | 170.3 | 0 | 0 | 0 | 113.6 | M344 P345 V347 Q387 | M344-L389 HydrophobicContact CB-CD2 3.79Å; M344-L389 HydrophobicContact CB-CG 4.03Å; M344-L389 HydrophobicContact CG-CD2 4.25Å; P345-L389 WeakPolarHBondContact O-CD1 3.41Å; V347-L389 HydrophobicContact CG2-CB 3.99Å; V347-L389 HydrophobicContact CG2-CD1 3.91Å; Q387-L389 PolarHBondContact O-N 3.19Å; Q387-L389 VanDerWaalsContact O-N 3.16Å |
| 390 | G | 97.5 | Very high | 98 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 3% | 0.031 | 5% | 0.047 | C | C | . | . | trans | -75.4 | 141.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | G192 Q387 A388 G454 | G192-G390 PolarHBondContact N-O 3.31Å; Q387-G390 WeakPolarHBondContact O-CA 3.15Å; Q387-G390 PolarHBondContact O-N 3.42Å; A388-G390 VanDerWaalsContact C-N 3.33Å; G390-G454 CarbonylContact C-O 3.49Å; G390-G454 VanDerWaalsContact CA-O 3.25Å; G390-G454 WeakPolarHBondContact CA-O 3.33Å | ||
| 391 | N | 97.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 9.3 Ų | 9.3 | 12% | 0.118 | 5% | 0.046 | C | C | . | . | trans | -136.8 | 107 | 175.7 | -171.4 | 16.7 | 0 | 0 | 0 | 108.5 | R89 D90 S92 A93 G454 Q455 | R89-N391 PolarHBondContact O-ND2 2.74Å; D90-N391 PolarHBondContact O-ND2 3.01Å; S92-N391 WeakPolarHBondContact CB-O 3.47Å; A93-N391 WeakPolarHBondContact CB-OD1 3.41Å; N391-G454 PolarHBondContact N-O 2.96Å; N391-G454 CarbonylContact O-C 3.56Å; N391-G454 VanDerWaalsContact O-C 3.31Å; N391-Q455 PolarHBondContact O-N 3.47Å | ||
| 392 | V | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.006 | 5% | 0.046 | C | C | . | . | trans | -120.2 | 109.9 | -167.2 | 175.3 | 0 | 0 | 0 | 0 | 108.9 | L193 P394 I395 T396 V458 F459 Y930 | L193-V392 HydrophobicContact CD2-CG1 4.47Å; V392-P394 HydrophobicContact CG1-CG 4.44Å; V392-I395 HydrophobicContact CB-CB 4.41Å; V392-I395 HydrophobicContact CB-CG1 4.25Å; V392-I395 HydrophobicContact CG1-CG1 4.05Å; V392-I395 WeakPolarHBondContact O-CB 3.48Å; V392-I395 PolarHBondContact O-N 2.88Å; V392-T396 PolarHBondContact O-N 2.82Å; V392-T396 VanDerWaalsContact O-N 3.14Å; V392-V458 HydrophobicContact CG2-CB 4.33Å; V392-V458 HydrophobicContact CG2-CG2 3.8Å; V392-F459 HydrophobicContact CG1-CE2 4.38Å; V392-F459 HydrophobicContact CG2-CE2 4.21Å; V392-Y930 HydrophobicContact CG1-CE2 3.96Å | ||
| 393 | A | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.008 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -54.9 | -39.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A93 I395 T396 G397 Y487 M490 | A93-A393 HydrophobicContact CB-CB 4.02Å; A393-I395 VanDerWaalsContact C-N 3.33Å; A393-I395 PolarHBondContact O-N 2.89Å; A393-T396 WeakPolarHBondContact CA-OG1 3.27Å; A393-T396 PolarHBondContact O-N 3.14Å; A393-T396 PolarHBondContact O-OG1 3.08Å; A393-G397 PolarHBondContact O-N 3.08Å; A393-Y487 HydrophobicContact CB-CD1 4.07Å; A393-Y487 WeakPolarHBondContact O-CE1 3.41Å; A393-M490 HydrophobicContact CB-CB 3.52Å; A393-M490 HydrophobicContact CB-CG 4.06Å |
| 394 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -59.1 | -37.9 | 174 | -31.8 | 39.5 | 0 | 0 | 0 | 114.6 | V392 G397 F398 M491 G923 C926 L927 Y930 | V392-P394 HydrophobicContact CG1-CG 4.44Å; P394-G397 PolarHBondContact O-N 2.68Å; P394-F398 PolarHBondContact O-N 2.83Å; P394-M491 HydrophobicContact CG-CG 4.24Å; P394-M491 HydrophobicContact CG-SD 3.6Å; P394-G923 WeakPolarHBondContact CB-O 3.42Å; P394-C926 HydrophobicContact CB-CB 3.82Å; P394-C926 HydrophobicContact CG-CB 3.52Å; P394-L927 HydrophobicContact CB-CD2 3.75Å; P394-L927 HydrophobicContact CB-CG 3.95Å; P394-Y930 HydrophobicContact CG-CE2 3.88Å |
| 395 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -70.5 | -46.4 | 177.8 | -66.4 | -70.7 | 0 | 0 | 0 | 110.5 | C190 L193 V392 A393 G397 F398 I399 F424 A426 L927 | C190-I395 HydrophobicContact CB-CG2 4.09Å; L193-I395 HydrophobicContact CD2-CD1 4.42Å; L193-I395 HydrophobicContact CD2-CG1 4.26Å; V392-I395 HydrophobicContact CB-CB 4.41Å; V392-I395 HydrophobicContact CB-CG1 4.25Å; V392-I395 HydrophobicContact CG1-CG1 4.05Å; V392-I395 WeakPolarHBondContact O-CB 3.48Å; V392-I395 PolarHBondContact O-N 2.88Å; A393-I395 VanDerWaalsContact C-N 3.33Å; A393-I395 PolarHBondContact O-N 2.89Å; I395-G397 PolarHBondContact O-N 3.44Å; I395-F398 PolarHBondContact O-N 3.07Å; I395-I399 HydrophobicContact CG2-CG1 4.23Å; I395-I399 WeakPolarHBondContact O-CB 3.37Å; I395-I399 WeakPolarHBondContact O-CG1 3.39Å; I395-I399 PolarHBondContact O-N 3.38Å; I395-F424 HydrophobicContact CD1-CD1 4.16Å; I395-F424 HydrophobicContact CD1-CE1 3.73Å; I395-A426 HydrophobicContact CD1-CB 4.1Å; I395-L927 HydrophobicContact CD1-CD1 3.99Å; I395-L927 HydrophobicContact CD1-CD2 3.77Å; I395-L927 HydrophobicContact CG1-CD2 4.01Å |
| 396 | T | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.012 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.8 | -32.4 | 176.8 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | A93 C190 V392 A393 G400 | A93-T396 HydrophobicContact CB-CG2 4.02Å; C190-T396 HydrophobicContact CB-CG2 4.04Å; V392-T396 PolarHBondContact O-N 2.82Å; V392-T396 VanDerWaalsContact O-N 3.14Å; A393-T396 WeakPolarHBondContact CA-OG1 3.27Å; A393-T396 PolarHBondContact O-N 3.14Å; A393-T396 PolarHBondContact O-OG1 3.08Å; T396-G400 VanDerWaalsContact O-CA 3.23Å; T396-G400 WeakPolarHBondContact O-CA 3.46Å; T396-G400 PolarHBondContact O-N 2.97Å |
| 397 | G | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -62.9 | -53.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A393 P394 I395 G401 Y487 | A393-G397 PolarHBondContact O-N 3.08Å; P394-G397 PolarHBondContact O-N 2.68Å; I395-G397 PolarHBondContact O-N 3.44Å; G397-G401 PolarHBondContact O-N 3.45Å; G397-Y487 VanDerWaalsContact CA-CZ 3.49Å; G397-Y487 WeakPolarHBondContact CA-OH 3.48Å |
| 398 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -60.4 | -54.8 | 177.6 | 173.7 | -119.2 | 0 | 0 | 0 | 112.4 | P394 I395 G400 G401 L402 F422 F424 A920 L924 F957 | P394-F398 PolarHBondContact O-N 2.83Å; I395-F398 PolarHBondContact O-N 3.07Å; F398-G400 PolarHBondContact O-N 2.94Å; F398-G401 PolarHBondContact O-N 2.81Å; F398-L402 PolarHBondContact O-N 3.37Å; F398-F422 AromaticContact CE1-CE1 3.97Å; F398-F422 HydrophobicContact CE1-CE1 3.97Å; F398-F422 HydrophobicContact CE1-CZ 4.01Å; F398-F422 HydrophobicContact CZ-CE1 4.25Å; F398-F422 AromaticContact CZ-CZ 3.94Å; F398-F422 HydrophobicContact CZ-CZ 3.94Å; F398-F424 AromaticContact CD1-CD1 3.79Å; F398-F424 HydrophobicContact CD1-CD1 3.79Å; F398-F424 HydrophobicContact CD1-CD2 4.43Å; F398-F424 AromaticContact CD1-CE1 3.85Å; F398-F424 HydrophobicContact CD1-CE1 3.85Å; F398-F424 HydrophobicContact CD1-CE2 4.49Å; F398-F424 HydrophobicContact CD1-CG 4.08Å; F398-F424 HydrophobicContact CD1-CZ 4.2Å; F398-F424 HydrophobicContact CE1-CB 4.18Å; F398-F424 AromaticContact CE1-CD1 3.82Å; F398-F424 HydrophobicContact CE1-CD1 3.82Å; F398-F424 AromaticContact CE1-CD2 3.69Å; F398-F424 HydrophobicContact CE1-CD2 3.69Å; F398-F424 HydrophobicContact CE1-CE1 4.07Å; F398-F424 AromaticContact CE1-CE2 3.96Å; F398-F424 HydrophobicContact CE1-CE2 3.96Å; F398-F424 AromaticContact CE1-CG 3.61Å; F398-F424 HydrophobicContact CE1-CG 3.61Å; F398-F424 HydrophobicContact CE1-CZ 4.14Å; F398-F424 HydrophobicContact CZ-CD2 4.46Å; F398-A920 HydrophobicContact CD2-CB 4.1Å; F398-L924 HydrophobicContact CB-CD2 4.46Å; F398-L924 HydrophobicContact CD1-CD2 4.21Å; F398-L924 HydrophobicContact CD2-CD1 3.95Å; F398-L924 HydrophobicContact CD2-CD2 3.74Å; F398-L924 HydrophobicContact CD2-CG 3.64Å; F398-L924 HydrophobicContact CE1-CD2 4.43Å; F398-L924 HydrophobicContact CE2-CD1 3.85Å; F398-L924 HydrophobicContact CE2-CD2 3.99Å; F398-L924 HydrophobicContact CE2-CG 4.01Å; F398-L924 HydrophobicContact CG-CD2 3.87Å; F398-L924 HydrophobicContact CG-CG 4.16Å; F398-L924 HydrophobicContact CZ-CD2 4.33Å; F398-F957 HydrophobicContact CE2-CD1 4.27Å; F398-F957 AromaticContact CE2-CE1 3.92Å; F398-F957 HydrophobicContact CE2-CE1 3.92Å; F398-F957 AromaticContact CZ-CD1 3.89Å; F398-F957 HydrophobicContact CZ-CD1 3.89Å; F398-F957 AromaticContact CZ-CE1 3.69Å; F398-F957 HydrophobicContact CZ-CE1 3.69Å |
| 399 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -68 | -37.8 | -177.6 | -62 | -63.9 | 0 | 0 | 0 | 111.2 | I188 V197 I395 L402 A403 F422 F424 | I188-I399 HydrophobicContact CG2-CG2 3.45Å; I188-I399 VanDerWaalsContact CG2-CG2 3.45Å; V197-I399 HydrophobicContact CG2-CG2 3.85Å; I395-I399 HydrophobicContact CG2-CG1 4.23Å; I395-I399 WeakPolarHBondContact O-CB 3.37Å; I395-I399 WeakPolarHBondContact O-CG1 3.39Å; I395-I399 PolarHBondContact O-N 3.38Å; I399-L402 PolarHBondContact O-N 2.91Å; I399-A403 WeakPolarHBondContact O-CB 3.29Å; I399-A403 PolarHBondContact O-N 3.12Å; I399-F422 HydrophobicContact CD1-CD1 4.47Å; I399-F422 HydrophobicContact CD1-CE1 4.04Å; I399-F424 HydrophobicContact CD1-CB 4.1Å |
| 400 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T396 F398 A404 | T396-G400 VanDerWaalsContact O-CA 3.23Å; T396-G400 WeakPolarHBondContact O-CA 3.46Å; T396-G400 PolarHBondContact O-N 2.97Å; F398-G400 PolarHBondContact O-N 2.94Å; G400-A404 VanDerWaalsContact O-CB 3.23Å; G400-A404 WeakPolarHBondContact O-CB 3.41Å; G400-A404 PolarHBondContact O-N 3.01Å |
| 401 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G397 F398 A404 Q405 | G397-G401 PolarHBondContact O-N 3.45Å; F398-G401 PolarHBondContact O-N 2.81Å; G401-A404 PolarHBondContact O-N 3.34Å; G401-Q405 PolarHBondContact O-N 2.83Å |
| 402 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -59.8 | -52.6 | 173.5 | 171.4 | 55.2 | 0 | 0 | 0 | 111.6 | V197 F398 I399 A404 Q405 E406 V418 F422 L952 F957 | V197-L402 HydrophobicContact CG2-CD2 4.07Å; V197-L402 HydrophobicContact CG2-CG 4.28Å; F398-L402 PolarHBondContact O-N 3.37Å; I399-L402 PolarHBondContact O-N 2.91Å; L402-A404 VanDerWaalsContact C-N 3.32Å; L402-A404 PolarHBondContact O-N 3.39Å; L402-Q405 WeakPolarHBondContact O-CA 3.42Å; L402-Q405 WeakPolarHBondContact O-CB 3.17Å; L402-Q405 PolarHBondContact O-N 2.85Å; L402-E406 HydrophobicContact CD1-CG 4.09Å; L402-E406 WeakPolarHBondContact O-CG 3.08Å; L402-E406 PolarHBondContact O-N 3.44Å; L402-V418 HydrophobicContact CD1-CG2 4.48Å; L402-F422 HydrophobicContact CD2-CD1 3.46Å; L402-F422 VanDerWaalsContact CD2-CD1 3.46Å; L402-F422 HydrophobicContact CD2-CD2 4.44Å; L402-F422 HydrophobicContact CD2-CE1 3.44Å; L402-F422 VanDerWaalsContact CD2-CE1 3.44Å; L402-F422 HydrophobicContact CD2-CE2 4.4Å; L402-F422 HydrophobicContact CD2-CG 3.97Å; L402-F422 HydrophobicContact CD2-CZ 3.94Å; L402-L952 HydrophobicContact CD1-CD2 4.13Å; L402-F957 HydrophobicContact CD1-CZ 3.73Å; L402-F957 HydrophobicContact CD2-CE1 4.34Å; L402-F957 HydrophobicContact CD2-CZ 3.76Å; L402-F957 HydrophobicContact CG-CZ 4.33Å |
| 403 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I66 M186 I188 V197 I399 Q405 E406 A407 | I66-A403 HydrophobicContact CD1-CB 3.71Å; I66-A403 HydrophobicContact CG1-CB 3.84Å; M186-A403 HydrophobicContact CE-CB 4.36Å; M186-A403 WeakPolarHBondContact CE-O 3.45Å; I188-A403 HydrophobicContact CD1-CB 4.12Å; I188-A403 HydrophobicContact CG1-CB 3.72Å; V197-A403 HydrophobicContact CG2-CB 4.32Å; I399-A403 WeakPolarHBondContact O-CB 3.29Å; I399-A403 PolarHBondContact O-N 3.12Å; A403-Q405 VanDerWaalsContact C-N 3.31Å; A403-Q405 PolarHBondContact O-N 2.94Å; A403-E406 PolarHBondContact O-N 3.42Å; A403-A407 WeakPolarHBondContact O-CB 3.37Å; A403-A407 PolarHBondContact O-N 2.79Å |
| 404 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | N69 G400 G401 L402 A407 M408 T916 | N69-A404 HydrophobicContact CB-CB 3.37Å; G400-A404 VanDerWaalsContact O-CB 3.23Å; G400-A404 WeakPolarHBondContact O-CB 3.41Å; G400-A404 PolarHBondContact O-N 3.01Å; G401-A404 PolarHBondContact O-N 3.34Å; L402-A404 VanDerWaalsContact C-N 3.32Å; L402-A404 PolarHBondContact O-N 3.39Å; A404-A407 WeakPolarHBondContact O-CB 3.35Å; A404-A407 PolarHBondContact O-N 3.43Å; A404-M408 WeakPolarHBondContact O-CG 3.29Å; A404-M408 PolarHBondContact O-N 3.37Å; A404-T916 HydrophobicContact CB-CG2 3.77Å |
| 405 | Q | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 2.2 Ų | 2.2 | 1% | 0.005 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 173 | -170.4 | 63.1 | 55.2 | 0 | 0 | 111.1 | G401 L402 A403 A407 M408 K409 T916 L952 | G401-Q405 PolarHBondContact O-N 2.83Å; L402-Q405 WeakPolarHBondContact O-CA 3.42Å; L402-Q405 WeakPolarHBondContact O-CB 3.17Å; L402-Q405 PolarHBondContact O-N 2.85Å; A403-Q405 VanDerWaalsContact C-N 3.31Å; A403-Q405 PolarHBondContact O-N 2.94Å; Q405-A407 VanDerWaalsContact C-N 3.25Å; Q405-A407 PolarHBondContact O-N 3.04Å; Q405-M408 CarbonylContact O-C 3.59Å; Q405-M408 WeakPolarHBondContact O-CA 3.27Å; Q405-M408 WeakPolarHBondContact O-CB 3.44Å; Q405-M408 PolarHBondContact O-N 3.47Å; Q405-K409 WeakPolarHBondContact O-CG 3.47Å; Q405-K409 PolarHBondContact O-N 2.75Å; Q405-T916 HydrophobicContact CB-CG2 4.19Å; Q405-T916 PolarHBondContact OE1-OG1 2.95Å; Q405-L952 HydrophobicContact CB-CD1 4.11Å; Q405-L952 HydrophobicContact CG-CB 3.89Å; Q405-L952 HydrophobicContact CG-CD1 4.26Å |
| 406 | E | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -57.1 | -39 | 176.3 | -68 | -50.3 | 119.4 | 0 | 0 | 112.1 | M186 V197 N199 L402 A403 K409 A410 P417 V418 | M186-E406 HydrophobicContact CE-CB 3.42Å; M186-E406 VanDerWaalsContact CE-CB 3.42Å; M186-E406 HydrophobicContact CE-CG 4.48Å; M186-E406 HydrophobicContact SD-CB 4.32Å; V197-E406 HydrophobicContact CG1-CG 4.39Å; N199-E406 PolarHBondContact ND2-OE2 3.5Å; L402-E406 HydrophobicContact CD1-CG 4.09Å; L402-E406 WeakPolarHBondContact O-CG 3.08Å; L402-E406 PolarHBondContact O-N 3.44Å; A403-E406 PolarHBondContact O-N 3.42Å; E406-K409 WeakPolarHBondContact O-CB 3.34Å; E406-K409 PolarHBondContact O-N 2.93Å; E406-K409 WeakPolarHBondContact OE1-CE 3.31Å; E406-K409 IonicContact OE1-NZ 3.94Å; E406-K409 PolarHBondContact OE1-NZ 2.89Å; E406-K409 IonicContact OE2-NZ 3.98Å; E406-A410 WeakPolarHBondContact O-CB 3.48Å; E406-A410 PolarHBondContact O-N 2.9Å; E406-P417 WeakPolarHBondContact OE2-CA 3.39Å; E406-V418 HydrophobicContact CG-CG2 4.19Å; E406-V418 PolarHBondContact OE2-N 3.38Å |
| 407 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L70 L160 I162 M186 A403 A404 Q405 A410 L411 | L70-A407 HydrophobicContact CD1-CB 4.04Å; L70-A407 HydrophobicContact CD2-CB 3.84Å; L70-A407 HydrophobicContact CG-CB 4.4Å; L160-A407 HydrophobicContact CD2-CB 3.47Å; L160-A407 VanDerWaalsContact CD2-CB 3.47Å; I162-A407 HydrophobicContact CD1-CB 3.87Å; M186-A407 HydrophobicContact CE-CB 4.45Å; M186-A407 HydrophobicContact SD-CB 3.91Å; A403-A407 WeakPolarHBondContact O-CB 3.37Å; A403-A407 PolarHBondContact O-N 2.79Å; A404-A407 WeakPolarHBondContact O-CB 3.35Å; A404-A407 PolarHBondContact O-N 3.43Å; Q405-A407 VanDerWaalsContact C-N 3.25Å; Q405-A407 PolarHBondContact O-N 3.04Å; A407-A410 WeakPolarHBondContact O-CB 3.33Å; A407-A410 PolarHBondContact O-N 3.44Å; A407-L411 VanDerWaalsContact O-CG 3.3Å; A407-L411 WeakPolarHBondContact O-CG 2.89Å; A407-L411 PolarHBondContact O-N 3.27Å |
| 408 | M | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 3.9 Ų | 3.9 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | 173 | -66.5 | -176.4 | -168.1 | 0 | 0 | 112 | L41 L49 N69 L70 A404 Q405 A410 L411 T412 I914 T916 | L41-M408 HydrophobicContact CD1-SD 4.35Å; L49-M408 HydrophobicContact CD2-CB 4.5Å; L49-M408 HydrophobicContact CD2-CG 4.35Å; N69-M408 VanDerWaalsContact O-CE 3.24Å; N69-M408 WeakPolarHBondContact O-CE 3.35Å; L70-M408 HydrophobicContact CD2-CE 4.33Å; L70-M408 HydrophobicContact CD2-CG 3.96Å; A404-M408 WeakPolarHBondContact O-CG 3.29Å; A404-M408 PolarHBondContact O-N 3.37Å; Q405-M408 CarbonylContact O-C 3.59Å; Q405-M408 WeakPolarHBondContact O-CA 3.27Å; Q405-M408 WeakPolarHBondContact O-CB 3.44Å; Q405-M408 PolarHBondContact O-N 3.47Å; M408-A410 VanDerWaalsContact C-N 3.34Å; M408-L411 PolarHBondContact O-N 2.98Å; M408-T412 WeakPolarHBondContact O-CB 3.48Å; M408-T412 WeakPolarHBondContact O-CG2 3.46Å; M408-T412 PolarHBondContact O-N 3.29Å; M408-T412 PolarHBondContact O-OG1 3.4Å; M408-I914 HydrophobicContact CE-CD1 4.46Å; M408-I914 HydrophobicContact SD-CD1 3.72Å; M408-T916 HydrophobicContact CE-CG2 3.75Å; M408-T916 HydrophobicContact SD-CG2 4.17Å |
| 409 | K | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 173.8 | -57.6 | -178.6 | -172 | 176.6 | 0 | 110.8 | Q405 E406 L411 T412 G413 I414 F415 T416 P417 L952 | Q405-K409 WeakPolarHBondContact O-CG 3.47Å; Q405-K409 PolarHBondContact O-N 2.75Å; E406-K409 WeakPolarHBondContact O-CB 3.34Å; E406-K409 PolarHBondContact O-N 2.93Å; E406-K409 WeakPolarHBondContact OE1-CE 3.31Å; E406-K409 IonicContact OE1-NZ 3.94Å; E406-K409 PolarHBondContact OE1-NZ 2.89Å; E406-K409 IonicContact OE2-NZ 3.98Å; K409-L411 VanDerWaalsContact C-N 3.3Å; K409-L411 PolarHBondContact O-N 2.93Å; K409-T412 PolarHBondContact O-N 2.91Å; K409-G413 WeakPolarHBondContact O-CA 3.42Å; K409-G413 PolarHBondContact O-N 2.92Å; K409-I414 WeakPolarHBondContact CA-O 3.11Å; K409-I414 WeakPolarHBondContact CB-O 3.31Å; K409-I414 WeakPolarHBondContact CG-O 3.25Å; K409-F415 HydrophobicContact CD-CB 3.99Å; K409-F415 HydrophobicContact CG-CB 4.05Å; K409-T416 WeakPolarHBondContact CD-O 3.46Å; K409-T416 WeakPolarHBondContact CE-O 2.98Å; K409-T416 PolarHBondContact NZ-O 3.1Å; K409-P417 HydrophobicContact CB-CG 4.5Å; K409-L952 WeakPolarHBondContact CE-O 3.44Å; K409-L952 PolarHBondContact NZ-O 2.88Å |
| 410 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -54.1 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L160 K184 F201 E406 A407 M408 | L160-A410 HydrophobicContact CD1-CB 4.19Å; L160-A410 HydrophobicContact CD2-CB 4.18Å; K184-A410 HydrophobicContact CD-CB 3.9Å; K184-A410 VanDerWaalsContact CD-O 3.28Å; K184-A410 WeakPolarHBondContact CD-O 3.4Å; K184-A410 WeakPolarHBondContact CE-O 3.28Å; K184-A410 PolarHBondContact NZ-O 2.83Å; F201-A410 HydrophobicContact CD1-CB 3.92Å; F201-A410 HydrophobicContact CD2-CB 4.21Å; F201-A410 HydrophobicContact CE1-CB 3.56Å; F201-A410 HydrophobicContact CE2-CB 3.81Å; F201-A410 HydrophobicContact CG-CB 4.27Å; F201-A410 HydrophobicContact CZ-CB 3.51Å; E406-A410 WeakPolarHBondContact O-CB 3.48Å; E406-A410 PolarHBondContact O-N 2.9Å; A407-A410 WeakPolarHBondContact O-CB 3.33Å; A407-A410 PolarHBondContact O-N 3.44Å; M408-A410 VanDerWaalsContact C-N 3.34Å |
| 411 | L | 96.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 7 Ų | 7 | 7% | 0.068 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -76.5 | -27.4 | -175.5 | -64.7 | 177.1 | 0 | 0 | 0 | 114.1 | L49 V75 Q159 L160 A407 M408 K409 | L49-L411 HydrophobicContact CD2-CB 4.03Å; L49-L411 HydrophobicContact CD2-CD1 4.26Å; V75-L411 HydrophobicContact CG1-CD1 3.87Å; Q159-L411 HydrophobicContact CB-CD2 3.94Å; L160-L411 HydrophobicContact CB-CD2 3.77Å; L160-L411 HydrophobicContact CB-CG 4.47Å; L160-L411 HydrophobicContact CD2-CD2 4.43Å; L160-L411 HydrophobicContact CD2-CG 4.25Å; A407-L411 VanDerWaalsContact O-CG 3.3Å; A407-L411 WeakPolarHBondContact O-CG 2.89Å; A407-L411 PolarHBondContact O-N 3.27Å; M408-L411 PolarHBondContact O-N 2.98Å; K409-L411 VanDerWaalsContact C-N 3.3Å; K409-L411 PolarHBondContact O-N 2.93Å |
| 412 | T | 96.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.018 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -107.2 | -26.1 | -171.6 | 61 | 0 | 0 | 0 | 0 | 114.5 | A45 R48 L49 M408 K409 I414 | A45-T412 HydrophobicContact CB-CG2 4.05Å; A45-T412 WeakPolarHBondContact O-CG2 3.16Å; R48-T412 HydrophobicContact CB-CG2 4.39Å; R48-T412 WeakPolarHBondContact CD-O 3.33Å; R48-T412 PolarHBondContact NH1-O 2.87Å; L49-T412 HydrophobicContact CD1-CG2 4.26Å; L49-T412 HydrophobicContact CD2-CG2 3.58Å; L49-T412 HydrophobicContact CG-CG2 3.56Å; M408-T412 WeakPolarHBondContact O-CB 3.48Å; M408-T412 WeakPolarHBondContact O-CG2 3.46Å; M408-T412 PolarHBondContact O-N 3.29Å; M408-T412 PolarHBondContact O-OG1 3.4Å; K409-T412 PolarHBondContact O-N 2.91Å; T412-I414 VanDerWaalsContact C-N 3.25Å; T412-I414 PolarHBondContact OG1-N 3.11Å |
| 413 | G | 95.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 7 Ų | 7 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | trans | 64.4 | 31.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V206 I207 N208 K409 | V206-G413 WeakPolarHBondContact O-CA 3.05Å; I207-G413 CarbonylContact C-O 3.55Å; N208-G413 PolarHBondContact N-O 3.43Å; N208-G413 PolarHBondContact ND2-O 2.67Å; K409-G413 WeakPolarHBondContact O-CA 3.42Å; K409-G413 PolarHBondContact O-N 2.92Å | ||
| 414 | I | 95.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 7.5 Ų | 7.5 | 11% | 0.113 | 4% | 0.038 | C | C | . | . | B | Isolated β-bridge | trans | -113.1 | 142 | 172.1 | -62.5 | -63.1 | 0 | 0 | 0 | 108.2 | A45 N208 D209 K409 T412 | A45-I414 HydrophobicContact CB-CG1 3.8Å; N208-I414 HydrophobicContact CB-CD1 4.36Å; D209-I414 HydrophobicContact CB-CD1 3.67Å; D209-I414 HydrophobicContact CB-CG2 4.38Å; K409-I414 WeakPolarHBondContact CA-O 3.11Å; K409-I414 WeakPolarHBondContact CB-O 3.31Å; K409-I414 WeakPolarHBondContact CG-O 3.25Å; T412-I414 VanDerWaalsContact C-N 3.25Å; T412-I414 PolarHBondContact OG1-N 3.11Å |
| 415 | F | 97.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | S | Bend | trans | 66.1 | 160.9 | -168 | -50.4 | -30.1 | 0 | 0 | 0 | 114.5 | V40 L41 D209 G212 K409 P417 P604 A953 | V40-F415 HydrophobicContact CG1-CE2 4.37Å; V40-F415 HydrophobicContact CG1-CZ 4.02Å; V40-F415 WeakPolarHBondContact O-CZ 3.46Å; L41-F415 HydrophobicContact CD2-CE2 3.76Å; L41-F415 HydrophobicContact CD2-CZ 4.04Å; D209-F415 WeakPolarHBondContact O-CA 3.38Å; D209-F415 PolarHBondContact O-N 2.78Å; G212-F415 VanDerWaalsContact CA-CE1 3.43Å; K409-F415 HydrophobicContact CD-CB 3.99Å; K409-F415 HydrophobicContact CG-CB 4.05Å; F415-P417 WeakPolarHBondContact O-CD 3.4Å; F415-P604 HydrophobicContact CE2-CB 4.18Å; F415-P604 HydrophobicContact CZ-CB 4.34Å; F415-P604 HydrophobicContact CZ-CG 4.23Å; F415-A953 HydrophobicContact CB-CB 4.11Å; F415-A953 HydrophobicContact CD1-CB 3.47Å; F415-A953 VanDerWaalsContact CD1-CB 3.47Å; F415-A953 HydrophobicContact CD2-CB 4.08Å; F415-A953 HydrophobicContact CE1-CB 3.89Å; F415-A953 HydrophobicContact CE2-CB 4.41Å; F415-A953 HydrophobicContact CG-CB 3.61Å; F415-A953 HydrophobicContact CZ-CB 4.32Å |
| 416 | T | 98 | Very high | 97.7 | Very high | 35 Ų | 35 | 7.8 Ų | 7.8 | 22% | 0.215 | 4% | 0.041 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 126.3 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | S210 M299 K409 A953 P955 | S210-T416 PolarHBondContact O-N 3.25Å; S210-T416 VanDerWaalsContact O-N 3.11Å; S210-T416 PolarHBondContact O-OG1 2.83Å; M299-T416 HydrophobicContact CE-CG2 3.94Å; K409-T416 WeakPolarHBondContact CD-O 3.46Å; K409-T416 WeakPolarHBondContact CE-O 2.98Å; K409-T416 PolarHBondContact NZ-O 3.1Å; T416-A953 PolarHBondContact N-O 2.96Å; T416-P955 WeakPolarHBondContact O-CD 3.35Å |
| 417 | P | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.013 | 5% | 0.047 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 158.3 | 173.6 | -23.9 | 36 | 0 | 0 | 0 | 114 | F201 M299 F301 E406 K409 F415 K419 | F201-P417 HydrophobicContact CD2-CB 4.05Å; F201-P417 HydrophobicContact CD2-CG 3.87Å; F201-P417 HydrophobicContact CE2-CB 3.59Å; F201-P417 HydrophobicContact CE2-CG 3.71Å; M299-P417 HydrophobicContact SD-CB 4.38Å; M299-P417 HydrophobicContact SD-CG 4.31Å; F301-P417 HydrophobicContact CE1-CB 4.47Å; F301-P417 HydrophobicContact CZ-CB 3.85Å; F301-P417 HydrophobicContact CZ-CG 4.15Å; E406-P417 WeakPolarHBondContact OE2-CA 3.39Å; K409-P417 HydrophobicContact CB-CG 4.5Å; F415-P417 WeakPolarHBondContact O-CD 3.4Å; P417-K419 PolarHBondContact O-N 3.03Å |
| 418 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 124.2 | 161.3 | 172.6 | 0 | 0 | 0 | 0 | 108.6 | N199 L314 L402 E406 F422 P955 | N199-V418 WeakPolarHBondContact CB-O 3.14Å; N199-V418 PolarHBondContact ND2-O 3.15Å; L314-V418 HydrophobicContact CB-CG1 4.17Å; L314-V418 HydrophobicContact CD2-CB 4.38Å; L314-V418 HydrophobicContact CD2-CG1 4.14Å; L314-V418 HydrophobicContact CD2-CG2 3.73Å; L402-V418 HydrophobicContact CD1-CG2 4.48Å; E406-V418 HydrophobicContact CG-CG2 4.19Å; E406-V418 PolarHBondContact OE2-N 3.38Å; V418-F422 HydrophobicContact CG1-CB 3.81Å; V418-P955 HydrophobicContact CG2-CB 3.72Å; V418-P955 HydrophobicContact CG2-CG 3.99Å |
| 419 | K | 97.4 | Very high | 97.4 | Very high | 65 Ų | 65 | 10.5 Ų | 10.5 | 28% | 0.283 | 5% | 0.054 | S | C | . | . | trans | -121.8 | 105.2 | 178.8 | -170.3 | -178.3 | 177.2 | -113.4 | 0 | 110.3 | M299 E300 F301 E312 P417 | M299-K419 HydrophobicContact CE-CB 4.24Å; M299-K419 HydrophobicContact CE-CD 3.92Å; M299-K419 HydrophobicContact CG-CD 3.88Å; M299-K419 HydrophobicContact SD-CB 4.08Å; M299-K419 HydrophobicContact SD-CD 3.89Å; M299-K419 HydrophobicContact SD-CG 4.3Å; E300-K419 WeakPolarHBondContact O-CE 3.24Å; F301-K419 HydrophobicContact CE1-CG 4.47Å; E312-K419 WeakPolarHBondContact OE1-CD 3.39Å; E312-K419 IonicContact OE1-NZ 3.47Å; E312-K419 PolarHBondContact OE1-NZ 2.82Å; E312-K419 VanDerWaalsContact OE2-CE 3.29Å; E312-K419 WeakPolarHBondContact OE2-CE 3.43Å; E312-K419 IonicContact OE2-NZ 2.64Å; E312-K419 PolarHBondContact OE2-NZ 2.79Å; P417-K419 PolarHBondContact O-N 3.03Å | ||
| 420 | Q | 97.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | S | Bend | cis | -114.4 | -26.9 | -14.3 | -60.5 | -171.6 | -67.8 | 0 | 0 | 112.4 | F198 N199 F301 K302 S307 E312 | F198-Q420 WeakPolarHBondContact CA-O 3.44Å; F198-Q420 HydrophobicContact CD2-CB 4.11Å; F198-Q420 HydrophobicContact CE2-CB 3.85Å; N199-Q420 PolarHBondContact N-O 2.88Å; N199-Q420 VanDerWaalsContact N-O 3.07Å; N199-Q420 PolarHBondContact O-NE2 2.88Å; F301-Q420 VanDerWaalsContact CB-NE2 3.3Å; F301-Q420 HydrophobicContact CD1-CG 3.99Å; K302-Q420 PolarHBondContact O-NE2 3.22Å; S307-Q420 VanDerWaalsContact CB-OE1 3.31Å; S307-Q420 PolarHBondContact OG-OE1 2.72Å; E312-Q420 PolarHBondContact O-N 3.08Å |
| 421 | W | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.7 | -178.1 | -69.1 | 93.8 | 0 | 0 | 0 | 111.1 | F168 Y196 F198 L304 S307 I308 P311 E312 F313 L314 H328 Y423 | F168-W421 AromaticContact CE1-CH2 3.85Å; F168-W421 HydrophobicContact CE1-CH2 3.85Å; F168-W421 HydrophobicContact CE1-CZ3 4.21Å; F168-W421 HydrophobicContact CZ-CH2 4.18Å; F168-W421 HydrophobicContact CZ-CZ3 4.33Å; Y196-W421 HydrophobicContact CD2-CE3 4.22Å; Y196-W421 AromaticContact CD2-CZ3 3.83Å; Y196-W421 HydrophobicContact CD2-CZ3 3.83Å; Y196-W421 AromaticContact CE2-CZ3 3.95Å; Y196-W421 HydrophobicContact CE2-CZ3 3.95Å; F198-W421 HydrophobicContact CB-CD2 4.16Å; F198-W421 HydrophobicContact CB-CE3 3.76Å; F198-W421 HydrophobicContact CB-CH2 4.03Å; F198-W421 HydrophobicContact CB-CZ2 4.4Å; F198-W421 HydrophobicContact CB-CZ3 3.7Å; F198-W421 AromaticContact CD2-CD2 3.61Å; F198-W421 HydrophobicContact CD2-CD2 3.61Å; F198-W421 AromaticContact CD2-CE2 3.3Å; F198-W421 HydrophobicContact CD2-CE3 4.1Å; F198-W421 HydrophobicContact CD2-CG 4.06Å; F198-W421 HydrophobicContact CD2-CH2 4.07Å; F198-W421 AromaticContact CD2-CZ2 3.57Å; F198-W421 HydrophobicContact CD2-CZ2 3.57Å; F198-W421 HydrophobicContact CD2-CZ3 4.32Å; F198-W421 AromaticContact CD2-NE1 3.57Å; F198-W421 HydrophobicContact CE2-CD2 4.49Å; F198-W421 AromaticContact CE2-CE2 3.82Å; F198-W421 HydrophobicContact CE2-CZ2 4.02Å; F198-W421 AromaticContact CE2-NE1 3.72Å; F198-W421 HydrophobicContact CG-CD2 4.27Å; F198-W421 HydrophobicContact CG-CE3 4.31Å; F198-W421 HydrophobicContact CG-CH2 4.07Å; F198-W421 HydrophobicContact CG-CZ2 4.02Å; F198-W421 HydrophobicContact CG-CZ3 4.22Å; L304-W421 HydrophobicContact CD1-CH2 3.72Å; L304-W421 HydrophobicContact CD1-CZ2 3.5Å; S307-W421 PolarHBondContact OG-NE1 2.7Å; I308-W421 HydrophobicContact CG1-CH2 4.19Å; I308-W421 HydrophobicContact CG1-CZ2 3.75Å; P311-W421 HydrophobicContact CB-CG 4.44Å; E312-W421 PolarHBondContact O-N 3.28Å; F313-W421 WeakPolarHBondContact CA-O 3.5Å; F313-W421 HydrophobicContact CD1-CB 3.67Å; F313-W421 HydrophobicContact CD1-CG 4.4Å; F313-W421 HydrophobicContact CE1-CB 4.11Å; F313-W421 HydrophobicContact CE1-CG 4.42Å; L314-W421 PolarHBondContact N-O 2.96Å; H328-W421 AromaticContact CE1-CE2 3.9Å; H328-W421 AromaticContact CE1-CZ2 3.94Å; W421-Y423 HydrophobicContact CB-CD2 4.24Å; W421-Y423 HydrophobicContact CB-CE2 3.79Å; W421-Y423 HydrophobicContact CD2-CE2 4.1Å; W421-Y423 AromaticContact CE3-CE2 3.81Å; W421-Y423 HydrophobicContact CE3-CE2 3.81Å; W421-Y423 AromaticContact CE3-CZ 3.6Å; W421-Y423 HydrophobicContact CG-CE2 4.14Å; W421-Y423 VanDerWaalsContact CZ3-OH 3.26Å; W421-Y423 WeakPolarHBondContact CZ3-OH 3.31Å |
| 422 | F | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.3 | 167.6 | 175.2 | -94.2 | 0 | 0 | 0 | 108.5 | Y196 V197 L314 F398 I399 L402 V418 F424 F957 | Y196-F422 CarbonylContact C-O 3.59Å; Y196-F422 WeakPolarHBondContact CA-O 3.35Å; Y196-F422 WeakPolarHBondContact CB-O 3.48Å; V197-F422 HydrophobicContact CB-CB 4.34Å; V197-F422 PolarHBondContact N-O 2.8Å; V197-F422 PolarHBondContact O-N 3.34Å; L314-F422 HydrophobicContact CB-CD2 4.46Å; L314-F422 HydrophobicContact CD2-CD2 3.9Å; L314-F422 HydrophobicContact CG-CD2 4.25Å; F398-F422 AromaticContact CE1-CE1 3.97Å; F398-F422 HydrophobicContact CE1-CE1 3.97Å; F398-F422 HydrophobicContact CE1-CZ 4.01Å; F398-F422 HydrophobicContact CZ-CE1 4.25Å; F398-F422 AromaticContact CZ-CZ 3.94Å; F398-F422 HydrophobicContact CZ-CZ 3.94Å; I399-F422 HydrophobicContact CD1-CD1 4.47Å; I399-F422 HydrophobicContact CD1-CE1 4.04Å; L402-F422 HydrophobicContact CD2-CD1 3.46Å; L402-F422 VanDerWaalsContact CD2-CD1 3.46Å; L402-F422 HydrophobicContact CD2-CD2 4.44Å; L402-F422 HydrophobicContact CD2-CE1 3.44Å; L402-F422 VanDerWaalsContact CD2-CE1 3.44Å; L402-F422 HydrophobicContact CD2-CE2 4.4Å; L402-F422 HydrophobicContact CD2-CG 3.97Å; L402-F422 HydrophobicContact CD2-CZ 3.94Å; V418-F422 HydrophobicContact CG1-CB 3.81Å; F422-F424 HydrophobicContact CE1-CB 3.73Å; F422-F424 HydrophobicContact CZ-CB 4.18Å; F422-F957 HydrophobicContact CD2-CD2 4.21Å; F422-F957 AromaticContact CD2-CE2 3.96Å; F422-F957 HydrophobicContact CD2-CE2 3.96Å; F422-F957 HydrophobicContact CE2-CD1 4.18Å; F422-F957 AromaticContact CE2-CD2 3.44Å; F422-F957 HydrophobicContact CE2-CD2 3.44Å; F422-F957 VanDerWaalsContact CE2-CD2 3.44Å; F422-F957 HydrophobicContact CE2-CE1 4.19Å; F422-F957 AromaticContact CE2-CE2 3.44Å; F422-F957 HydrophobicContact CE2-CE2 3.44Å; F422-F957 VanDerWaalsContact CE2-CE2 3.44Å; F422-F957 AromaticContact CE2-CG 3.83Å; F422-F957 HydrophobicContact CE2-CG 3.83Å; F422-F957 AromaticContact CE2-CZ 3.83Å; F422-F957 HydrophobicContact CE2-CZ 3.83Å; F422-F957 HydrophobicContact CZ-CD1 4.12Å; F422-F957 HydrophobicContact CZ-CD2 4.2Å; F422-F957 HydrophobicContact CZ-CE1 4.02Å; F422-F957 HydrophobicContact CZ-CE2 4.09Å; F422-F957 HydrophobicContact CZ-CG 4.22Å; F422-F957 AromaticContact CZ-CZ 4Å; F422-F957 HydrophobicContact CZ-CZ 4Å |
| 423 | Y | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.3 | 176.6 | -76.1 | -76.8 | 0 | 0 | 0 | 109.4 | Y196 F313 S316 P324 M327 H328 W331 W421 | Y196-Y423 HydrophobicContact CD1-CE1 4.39Å; Y196-Y423 HydrophobicContact CG-CE1 4.06Å; F313-Y423 AromaticContact CD1-CD2 3.88Å; F313-Y423 HydrophobicContact CD1-CD2 3.88Å; F313-Y423 AromaticContact CD1-CE2 3.93Å; F313-Y423 HydrophobicContact CD1-CE2 3.93Å; F313-Y423 AromaticContact CE1-CD2 3.91Å; F313-Y423 HydrophobicContact CE1-CD2 3.91Å; F313-Y423 AromaticContact CE1-CE2 3.58Å; F313-Y423 HydrophobicContact CE1-CE2 3.58Å; S316-Y423 WeakPolarHBondContact CB-O 3.38Å; S316-Y423 PolarHBondContact OG-O 3.38Å; P324-Y423 HydrophobicContact CB-CD2 4.49Å; M327-Y423 HydrophobicContact CB-CD1 3.83Å; M327-Y423 HydrophobicContact CB-CE1 4.45Å; M327-Y423 HydrophobicContact CB-CG 4.03Å; M327-Y423 HydrophobicContact CE-CD1 4.07Å; M327-Y423 HydrophobicContact CE-CG 4.46Å; H328-Y423 HydrophobicContact CB-CE2 3.95Å; H328-Y423 AromaticContact ND1-CE2 3.74Å; H328-Y423 AromaticContact ND1-CZ 3.61Å; H328-Y423 PolarHBondContact ND1-OH 2.73Å; W331-Y423 AromaticContact CD1-CD1 3.75Å; W331-Y423 AromaticContact CD1-CE1 3.39Å; W331-Y423 HydrophobicContact CG-CE1 4.11Å; W331-Y423 AromaticContact NE1-CD1 3.89Å; W331-Y423 AromaticContact NE1-CE1 3.9Å; W421-Y423 HydrophobicContact CB-CD2 4.24Å; W421-Y423 HydrophobicContact CB-CE2 3.79Å; W421-Y423 HydrophobicContact CD2-CE2 4.1Å; W421-Y423 AromaticContact CE3-CE2 3.81Å; W421-Y423 HydrophobicContact CE3-CE2 3.81Å; W421-Y423 AromaticContact CE3-CZ 3.6Å; W421-Y423 HydrophobicContact CG-CE2 4.14Å; W421-Y423 VanDerWaalsContact CZ3-OH 3.26Å; W421-Y423 WeakPolarHBondContact CZ3-OH 3.31Å |
| 424 | F | 98.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 141.3 | 179.6 | 178.3 | -99.1 | 0 | 0 | 0 | 111 | F194 G195 M327 I395 F398 I399 F422 A426 L924 L927 F959 | F194-F424 WeakPolarHBondContact CA-O 3.48Å; G195-F424 PolarHBondContact N-O 2.77Å; G195-F424 PolarHBondContact O-N 2.96Å; M327-F424 VanDerWaalsContact CE-O 3.31Å; M327-F424 WeakPolarHBondContact CE-O 3.32Å; I395-F424 HydrophobicContact CD1-CD1 4.16Å; I395-F424 HydrophobicContact CD1-CE1 3.73Å; F398-F424 AromaticContact CD1-CD1 3.79Å; F398-F424 HydrophobicContact CD1-CD1 3.79Å; F398-F424 HydrophobicContact CD1-CD2 4.43Å; F398-F424 AromaticContact CD1-CE1 3.85Å; F398-F424 HydrophobicContact CD1-CE1 3.85Å; F398-F424 HydrophobicContact CD1-CE2 4.49Å; F398-F424 HydrophobicContact CD1-CG 4.08Å; F398-F424 HydrophobicContact CD1-CZ 4.2Å; F398-F424 HydrophobicContact CE1-CB 4.18Å; F398-F424 AromaticContact CE1-CD1 3.82Å; F398-F424 HydrophobicContact CE1-CD1 3.82Å; F398-F424 AromaticContact CE1-CD2 3.69Å; F398-F424 HydrophobicContact CE1-CD2 3.69Å; F398-F424 HydrophobicContact CE1-CE1 4.07Å; F398-F424 AromaticContact CE1-CE2 3.96Å; F398-F424 HydrophobicContact CE1-CE2 3.96Å; F398-F424 AromaticContact CE1-CG 3.61Å; F398-F424 HydrophobicContact CE1-CG 3.61Å; F398-F424 HydrophobicContact CE1-CZ 4.14Å; F398-F424 HydrophobicContact CZ-CD2 4.46Å; I399-F424 HydrophobicContact CD1-CB 4.1Å; F422-F424 HydrophobicContact CE1-CB 3.73Å; F422-F424 HydrophobicContact CZ-CB 4.18Å; F424-A426 HydrophobicContact CE1-CB 3.94Å; F424-A426 HydrophobicContact CZ-CB 4.1Å; F424-L924 HydrophobicContact CZ-CD2 4.08Å; F424-L927 HydrophobicContact CE1-CD1 3.93Å; F424-L927 HydrophobicContact CZ-CD1 3.98Å; F424-F959 HydrophobicContact CD2-CZ 4.4Å; F424-F959 HydrophobicContact CE2-CE1 4.23Å; F424-F959 HydrophobicContact CE2-CE2 4.06Å; F424-F959 AromaticContact CE2-CZ 3.62Å; F424-F959 HydrophobicContact CE2-CZ 3.62Å; F424-F959 HydrophobicContact CZ-CZ 4.44Å |
| 425 | D | 98.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.3 | 167.7 | 81.1 | 79.7 | 0 | 0 | 0 | 110.9 | L193 F194 K320 R323 M327 I427 | L193-D425 CarbonylContact O-C 3.54Å; L193-D425 VanDerWaalsContact O-CA 3.23Å; L193-D425 WeakPolarHBondContact O-CA 3.44Å; F194-D425 HydrophobicContact CD1-CB 3.62Å; F194-D425 HydrophobicContact CE1-CB 3.82Å; F194-D425 HydrophobicContact CG-CB 4.4Å; K320-D425 PolarHBondContact NZ-O 3.49Å; K320-D425 IonicContact NZ-OD1 3.36Å; K320-D425 PolarHBondContact NZ-OD1 2.91Å; K320-D425 VanDerWaalsContact NZ-OD1 3.08Å; K320-D425 IonicContact NZ-OD2 2.74Å; R323-D425 VanDerWaalsContact CD-OD2 3.23Å; R323-D425 WeakPolarHBondContact CD-OD2 3.33Å; R323-D425 IonicContact CZ-OD1 3.71Å; R323-D425 IonicContact CZ-OD2 3.63Å; R323-D425 IonicContact NE-OD2 3.96Å; R323-D425 IonicContact NH1-OD1 2.89Å; R323-D425 PolarHBondContact NH1-OD1 3.3Å; R323-D425 IonicContact NH1-OD2 2.69Å; R323-D425 PolarHBondContact NH1-OD2 3.17Å; M327-D425 HydrophobicContact CE-CB 4.25Å; M327-D425 HydrophobicContact SD-CB 4.31Å; D425-I427 HydrophobicContact CB-CG2 4.28Å; D425-I427 WeakPolarHBondContact OD1-CG1 3.23Å; D425-I427 PolarHBondContact OD1-N 2.71Å |
| 426 | A | 98 | Very high | 94.3 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | trans | -125.6 | 45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L193 I395 F424 E428 C429 L927 | L193-A426 HydrophobicContact CD2-CB 4.33Å; L193-A426 PolarHBondContact O-N 2.8Å; I395-A426 HydrophobicContact CD1-CB 4.1Å; F424-A426 HydrophobicContact CE1-CB 3.94Å; F424-A426 HydrophobicContact CZ-CB 4.1Å; A426-E428 PolarHBondContact O-N 3.06Å; A426-C429 VanDerWaalsContact O-CB 3.32Å; A426-C429 WeakPolarHBondContact O-CB 3.34Å; A426-C429 PolarHBondContact O-N 2.63Å; A426-C429 PolarHBondContact O-SG 3.01Å; A426-C429 VanDerWaalsContact O-SG 3.4Å; A426-L927 HydrophobicContact CB-CD1 3.86Å; A426-L927 HydrophobicContact CB-CD2 4.09Å; A426-L927 HydrophobicContact CB-CG 4.47Å | ||
| 427 | I | 96.5 | Very high | 93.8 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -59.9 | -18.2 | -177.9 | 66.9 | 179.2 | 0 | 0 | 0 | 113.1 | F194 L380 L383 D425 C429 L430 | F194-I427 HydrophobicContact CE1-CG2 4.1Å; F194-I427 HydrophobicContact CE2-CG2 4.25Å; F194-I427 HydrophobicContact CZ-CG2 3.66Å; L380-I427 HydrophobicContact CD1-CD1 3.92Å; L380-I427 HydrophobicContact CD1-CG2 4.23Å; L383-I427 HydrophobicContact CD1-CD1 4.43Å; L383-I427 HydrophobicContact CD1-CG2 4.36Å; D425-I427 HydrophobicContact CB-CG2 4.28Å; D425-I427 WeakPolarHBondContact OD1-CG1 3.23Å; D425-I427 PolarHBondContact OD1-N 2.71Å; I427-C429 PolarHBondContact O-N 2.77Å; I427-L430 HydrophobicContact CB-CD1 4.35Å; I427-L430 VanDerWaalsContact O-CB 3.3Å; I427-L430 WeakPolarHBondContact O-CB 3.47Å; I427-L430 WeakPolarHBondContact O-CG 3.47Å; I427-L430 PolarHBondContact O-N 3.3Å |
| 428 | E | 95.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -61.5 | -17.8 | 173.8 | -62 | 75 | -161.7 | 0 | 0 | 112.6 | K320 R323 A426 L430 R944 | K320-E428 WeakPolarHBondContact CE-OE1 3.43Å; K320-E428 VanDerWaalsContact NZ-CD 3.25Å; K320-E428 IonicContact NZ-OE1 2.73Å; K320-E428 PolarHBondContact NZ-OE1 2.76Å; K320-E428 IonicContact NZ-OE2 3.69Å; K320-E428 PolarHBondContact NZ-OE2 2.82Å; R323-E428 IonicContact NH1-OE1 2.57Å; R323-E428 IonicContact NH2-OE1 2.84Å; A426-E428 PolarHBondContact O-N 3.06Å; E428-L430 PolarHBondContact O-N 3.33Å; E428-R944 PolarHBondContact O-NE 2.98Å; E428-R944 PolarHBondContact O-NH2 3.49Å |
| 429 | C | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -72.2 | -14.2 | 171.7 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | L193 A426 I427 F459 L927 Y930 K931 L934 | L193-C429 HydrophobicContact CD1-CB 4.05Å; L193-C429 HydrophobicContact CD2-CB 4Å; A426-C429 VanDerWaalsContact O-CB 3.32Å; A426-C429 WeakPolarHBondContact O-CB 3.34Å; A426-C429 PolarHBondContact O-N 2.63Å; A426-C429 PolarHBondContact O-SG 3.01Å; A426-C429 VanDerWaalsContact O-SG 3.4Å; I427-C429 PolarHBondContact O-N 2.77Å; C429-F459 HydrophobicContact CB-CE1 4.07Å; C429-F459 HydrophobicContact CB-CZ 4.33Å; C429-F459 WeakPolarHBondContact O-CE1 3.45Å; C429-L927 PolarHBondContact SG-O 3.06Å; C429-L927 VanDerWaalsContact SG-O 3.35Å; C429-Y930 HydrophobicContact CB-CD2 4.43Å; C429-K931 VanDerWaalsContact SG-CE 3.58Å; C429-L934 WeakPolarHBondContact O-CD1 3.4Å |
| 430 | L | 95 | Very high | 91.7 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79.1 | 137.5 | -179.3 | -65 | 172.8 | 0 | 0 | 0 | 111.9 | L193 L383 I427 E428 V458 F459 R944 | L193-L430 HydrophobicContact CD1-CD1 4.24Å; L193-L430 HydrophobicContact CD1-CD2 3.5Å; L193-L430 HydrophobicContact CD1-CG 3.51Å; L383-L430 HydrophobicContact CD1-CD1 4.32Å; L383-L430 HydrophobicContact CD2-CD1 3.78Å; I427-L430 HydrophobicContact CB-CD1 4.35Å; I427-L430 VanDerWaalsContact O-CB 3.3Å; I427-L430 WeakPolarHBondContact O-CB 3.47Å; I427-L430 WeakPolarHBondContact O-CG 3.47Å; I427-L430 PolarHBondContact O-N 3.3Å; E428-L430 PolarHBondContact O-N 3.33Å; L430-V458 HydrophobicContact CD2-CG1 3.82Å; L430-F459 HydrophobicContact CD2-CD1 4.38Å; L430-F459 HydrophobicContact CD2-CE1 4.39Å; L430-R944 PolarHBondContact O-NH2 2.89Å |
| 431 | S | 90 | Very high | 91.4 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 147.8 | 170.3 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | G438 R440 | S431-G438 WeakPolarHBondContact OG-CA 3.37Å; S431-G438 PolarHBondContact OG-O 2.91Å; S431-R440 PolarHBondContact O-NH2 2.84Å; S431-R440 PolarHBondContact OG-NE 2.76Å |
| 432 | E | 84.1 | Confident | 91.2 | Very high | 101 Ų | 101 | 43.7 Ų | 43.7 | 47% | 0.472 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -76.1 | 153 | 170.4 | -67.1 | -169 | 170.4 | 0 | 0 | 111.2 | G434 H435 | E432-G434 PolarHBondContact O-N 2.86Å; E432-H435 WeakPolarHBondContact O-CB 3.34Å; E432-H435 PolarHBondContact O-N 2.79Å; E432-H435 VanDerWaalsContact O-N 3.12Å |
| 433 | P | 82.7 | Confident | 91 | Very high | 132 Ų | 132 | 53.8 Ų | 53.8 | 86% | 0.857 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 131.4 | 172.3 | -24.5 | 34.6 | 0 | 0 | 0 | 111.6 | ||
| 434 | G | 84.8 | Confident | 90.8 | Very high | 83 Ų | 83 | 53.9 Ų | 53.9 | 86% | 0.856 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -6.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E432 | E432-G434 PolarHBondContact O-N 2.86Š|
| 435 | H | 89.6 | Confident | 90.7 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | trans | -61.8 | 141.4 | 176 | -174.1 | -85.7 | 0 | 0 | 0 | 111.7 | E432 Y437 G438 L934 | E432-H435 WeakPolarHBondContact O-CB 3.34Å; E432-H435 PolarHBondContact O-N 2.79Å; E432-H435 VanDerWaalsContact O-N 3.12Å; H435-Y437 AromaticContact CE1-CD2 3.93Å; H435-Y437 PolarHBondContact ND1-N 2.86Å; H435-Y437 VanDerWaalsContact ND1-N 3.18Å; H435-Y437 PolarHBondContact O-N 2.99Å; H435-Y437 VanDerWaalsContact O-N 3.13Å; H435-G438 WeakPolarHBondContact O-CA 3.38Å; H435-G438 PolarHBondContact O-N 3.06Å; H435-L934 VanDerWaalsContact CE1-CD2 3.49Å; H435-L934 WeakPolarHBondContact CE1-CD2 2.96Å; H435-L934 PolarHBondContact NE2-O 3.01Å | ||
| 436 | P | 86.6 | Confident | 90.5 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.4 | -175.4 | -28.8 | 35.3 | 0 | 0 | 0 | 114.9 | ||
| 437 | Y | 86.7 | Confident | 90.5 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 9.8 | 176.6 | -49.2 | -35.4 | 0 | 0 | 0 | 113.2 | H435 F463 A466 A937 | H435-Y437 AromaticContact CE1-CD2 3.93Å; H435-Y437 PolarHBondContact ND1-N 2.86Å; H435-Y437 VanDerWaalsContact ND1-N 3.18Å; H435-Y437 PolarHBondContact O-N 2.99Å; H435-Y437 VanDerWaalsContact O-N 3.13Å; Y437-F463 HydrophobicContact CD2-CD2 4.46Å; Y437-A466 HydrophobicContact CD1-CB 4.33Å; Y437-A466 HydrophobicContact CD2-CB 3.67Å; Y437-A466 HydrophobicContact CE1-CB 4.43Å; Y437-A466 HydrophobicContact CE2-CB 3.74Å; Y437-A466 HydrophobicContact CG-CB 3.98Å; Y437-A937 HydrophobicContact CD2-CB 3.89Å; Y437-A937 HydrophobicContact CE2-CB 3.39Å |
| 438 | G | 75.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | trans | -105.2 | 9.1 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | S431 H435 R440 | S431-G438 WeakPolarHBondContact OG-CA 3.37Å; S431-G438 PolarHBondContact OG-O 2.91Å; H435-G438 WeakPolarHBondContact O-CA 3.38Å; H435-G438 PolarHBondContact O-N 3.06Å; G438-R440 PolarHBondContact O-N 2.92Å; G438-R440 VanDerWaalsContact O-N 3.12Å | ||
| 439 | L | 83.4 | Confident | 90.5 | Very high | 94 Ų | 94 | 68.5 Ų | 68.5 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | trans | -65.3 | 114.3 | 176.4 | -175.4 | 65.5 | 0 | 0 | 0 | 109.7 | S444 | L439-S444 VanDerWaalsContact C-OG 3.31Å; L439-S444 WeakPolarHBondContact O-CB 3.45Å; L439-S444 PolarHBondContact O-OG 3.43Å | ||
| 440 | R | 90.2 | Very high | 90.5 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | trans | -126 | 84.7 | 179.2 | -66.6 | -174.4 | -65.9 | 128.8 | -1 | 109.4 | S431 G438 S444 V458 | S431-R440 PolarHBondContact O-NH2 2.84Å; S431-R440 PolarHBondContact OG-NE 2.76Å; G438-R440 PolarHBondContact O-N 2.92Å; G438-R440 VanDerWaalsContact O-N 3.12Å; R440-S444 WeakPolarHBondContact CA-OG 3.5Å; R440-V458 WeakPolarHBondContact CD-O 3.5Å | ||
| 441 | D | 92.7 | Very high | 90.6 | Very high | 63 Ų | 63 | 70.6 Ų | 70.6 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -125.2 | 176.8 | 173.9 | 67.5 | 36.8 | 0 | 0 | 0 | 110.7 | R443 S444 C445 | D441-R443 PolarHBondContact O-N 2.82Å; D441-R443 VanDerWaalsContact O-N 3.14Å; D441-R443 WeakPolarHBondContact OD1-CA 3.47Å; D441-R443 WeakPolarHBondContact OD1-CB 3.39Å; D441-R443 PolarHBondContact OD1-N 2.7Å; D441-S444 PolarHBondContact N-OG 2.98Å; D441-S444 PolarHBondContact O-N 2.82Å; D441-S444 PolarHBondContact O-OG 3.36Å; D441-S444 PolarHBondContact OD1-N 3.02Å; D441-C445 WeakPolarHBondContact O-CB 3.19Å; D441-C445 PolarHBondContact O-N 2.98Å |
| 442 | E | 93.5 | Very high | 91 | Very high | 101 Ų | 101 | 71.5 Ų | 71.5 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.3 | -178.3 | -65.6 | -165.8 | -166.7 | 0 | 0 | 112.7 | Q348 N349 A446 | Q348-E442 HydrophobicContact CB-CG 4.28Å; N349-E442 WeakPolarHBondContact CA-OE1 3.2Å; N349-E442 PolarHBondContact ND2-OE1 2.61Å; E442-A446 WeakPolarHBondContact O-CB 3.42Å; E442-A446 PolarHBondContact O-N 2.87Å |
| 443 | R | 94.4 | Very high | 91.6 | Very high | 212 Ų | 212 | 66.9 Ų | 66.9 | 80% | 0.8 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -45.7 | -177.9 | -176.1 | -177.4 | 179.5 | -174.7 | -1 | 111.5 | D441 C445 A446 | D441-R443 PolarHBondContact O-N 2.82Å; D441-R443 VanDerWaalsContact O-N 3.14Å; D441-R443 WeakPolarHBondContact OD1-CA 3.47Å; D441-R443 WeakPolarHBondContact OD1-CB 3.39Å; D441-R443 PolarHBondContact OD1-N 2.7Å; R443-C445 PolarHBondContact O-N 3.34Å; R443-A446 WeakPolarHBondContact O-CB 3.38Å; R443-A446 PolarHBondContact O-N 3.47Å |
| 444 | S | 93.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.028 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.7 | -179.3 | 74 | 0 | 0 | 0 | 0 | 112.5 | L439 R440 D441 G460 H461 | L439-S444 VanDerWaalsContact C-OG 3.31Å; L439-S444 WeakPolarHBondContact O-CB 3.45Å; L439-S444 PolarHBondContact O-OG 3.43Å; R440-S444 WeakPolarHBondContact CA-OG 3.5Å; D441-S444 PolarHBondContact N-OG 2.98Å; D441-S444 PolarHBondContact O-N 2.82Å; D441-S444 PolarHBondContact O-OG 3.36Å; D441-S444 PolarHBondContact OD1-N 3.02Å; S444-G460 VanDerWaalsContact O-CA 3.32Å; S444-G460 WeakPolarHBondContact O-CA 3.32Å; S444-H461 PolarHBondContact O-CD2 3.25Å; S444-H461 PolarHBondContact O-N 3.26Å |
| 445 | C | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 5.6 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | V347 Q348 D441 R443 T456 | V347-C445 HydrophobicContact CG1-CB 3.33Å; Q348-C445 HydrophobicContact CG-CB 3.98Å; D441-C445 WeakPolarHBondContact O-CB 3.19Å; D441-C445 PolarHBondContact O-N 2.98Å; R443-C445 PolarHBondContact O-N 3.34Å; C445-T456 WeakPolarHBondContact CB-O 3.23Å; C445-T456 PolarHBondContact SG-O 3.23Å |
| 446 | A | 95.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 34% | 0.339 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -63.9 | 142.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E442 R443 H461 | E442-A446 WeakPolarHBondContact O-CB 3.42Å; E442-A446 PolarHBondContact O-N 2.87Å; R443-A446 WeakPolarHBondContact O-CB 3.38Å; R443-A446 PolarHBondContact O-N 3.47Å; A446-H461 PolarHBondContact O-NE2 2.97Å |
| 447 | A | 96.5 | Very high | 93.9 | Very high | 53 Ų | 53 | 52 Ų | 52 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | trans | -62.5 | 140 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D453 | A447-D453 WeakPolarHBondContact CA-OD1 3.17Å; A447-D453 HydrophobicContact CB-CB 4.38Å | ||
| 448 | R | 96.7 | Very high | 94.4 | Very high | 139 Ų | 139 | 47.9 Ų | 47.9 | 53% | 0.525 | 23% | 0.229 | S | C | . | . | trans | -116.5 | 14 | 176.9 | -68.5 | -175.4 | -175.5 | 175 | 3.4 | 112.9 | D453 H461 | R448-D453 PolarHBondContact N-OD1 3.03Å; R448-D453 PolarHBondContact N-OD2 3.29Å; R448-H461 VanDerWaalsContact CD-CE1 3.43Å; R448-H461 WeakPolarHBondContact CD-CE1 3.34Å; R448-H461 VanDerWaalsContact CZ-CD2 3.4Å; R448-H461 PolarHBondContact NE-CD2 2.92Å; R448-H461 PolarHBondContact NE-NE2 3.2Å | ||
| 449 | Q | 96 | Very high | 95.4 | Very high | 149 Ų | 149 | 47.8 Ų | 47.8 | 70% | 0.696 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 57.6 | 50.2 | -176.4 | -58.7 | 180 | 31.1 | 0 | 0 | 111.3 | W88 D453 | W88-Q449 HydrophobicContact CD2-CB 4.48Å; W88-Q449 HydrophobicContact CG-CB 4.35Å; Q449-D453 WeakPolarHBondContact CA-OD2 3.44Å; Q449-D453 PolarHBondContact N-OD2 3.39Å |
| 450 | N | 95.9 | Very high | 96 | Very high | 44 Ų | 44 | 43.3 Ų | 43.3 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -132.2 | 166.1 | 176.8 | 74.5 | 38.6 | 0 | 0 | 0 | 110.9 | W88 Y452 D453 | W88-N450 VanDerWaalsContact CE3-C 3.41Å; N450-Y452 PolarHBondContact O-N 3.18Å; N450-Y452 VanDerWaalsContact O-N 3.08Å; N450-Y452 WeakPolarHBondContact OD1-CA 3.36Å; N450-Y452 WeakPolarHBondContact OD1-CB 3.36Å; N450-Y452 PolarHBondContact OD1-N 3.42Å; N450-D453 PolarHBondContact N-OD2 3.38Å; N450-D453 VanDerWaalsContact N-OD2 3.08Å; N450-D453 WeakPolarHBondContact O-CB 3.35Å; N450-D453 VanDerWaalsContact O-CG 3.27Å; N450-D453 PolarHBondContact O-N 3.4Å; N450-D453 VanDerWaalsContact O-N 3.12Å; N450-D453 PolarHBondContact OD1-N 3.4Å; N450-D453 PolarHBondContact OD1-OD1 3.5Å |
| 451 | R | 97.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.4 | -176.9 | 67.1 | 178.9 | -57.3 | 146.5 | 9 | 115.1 | L91 S92 F540 N541 | L91-R451 CarbonylContact C-O 3.6Å; L91-R451 HydrophobicContact CB-CB 3.79Å; L91-R451 HydrophobicContact CD2-CB 3.91Å; S92-R451 VanDerWaalsContact CA-O 3.25Å; S92-R451 WeakPolarHBondContact CA-O 3.05Å; S92-R451 PolarHBondContact N-O 2.86Å; S92-R451 VanDerWaalsContact N-O 3.08Å; S92-R451 PolarHBondContact OG-O 3.4Å; R451-F540 PolarHBondContact NH1-O 2.72Å; R451-F540 PolarHBondContact NH2-O 3.43Å; R451-N541 VanDerWaalsContact NH1-CA 3.33Å; R451-N541 PolarHBondContact NH1-OD1 2.7Å |
| 452 | Y | 98 | Very high | 96.4 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 6.2 | -179.9 | -46.8 | -62.2 | 0 | 0 | 0 | 112.6 | S92 N450 G454 Q455 T456 Q464 N541 | S92-Y452 WeakPolarHBondContact OG-CA 3.45Å; N450-Y452 PolarHBondContact O-N 3.18Å; N450-Y452 VanDerWaalsContact O-N 3.08Å; N450-Y452 WeakPolarHBondContact OD1-CA 3.36Å; N450-Y452 WeakPolarHBondContact OD1-CB 3.36Å; N450-Y452 PolarHBondContact OD1-N 3.42Å; Y452-G454 PolarHBondContact O-N 3.08Å; Y452-Q455 PolarHBondContact O-N 2.64Å; Y452-T456 WeakPolarHBondContact O-CB 3.43Å; Y452-T456 WeakPolarHBondContact O-CG2 3.38Å; Y452-T456 PolarHBondContact O-N 2.88Å; Y452-T456 PolarHBondContact O-OG1 3.26Å; Y452-Q464 HydrophobicContact CD2-CG 4.15Å; Y452-Q464 HydrophobicContact CG-CG 4.14Å; Y452-N541 PolarHBondContact OH-ND2 3.33Å |
| 453 | D | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -30.5 | -177.6 | -81.9 | -19.1 | 0 | 0 | 0 | 113.2 | R89 A447 R448 Q449 N450 T456 A457 | R89-D453 HydrophobicContact CG-CB 3.86Å; R89-D453 PolarHBondContact NH1-O 2.74Å; A447-D453 WeakPolarHBondContact CA-OD1 3.17Å; A447-D453 HydrophobicContact CB-CB 4.38Å; R448-D453 PolarHBondContact N-OD1 3.03Å; R448-D453 PolarHBondContact N-OD2 3.29Å; Q449-D453 WeakPolarHBondContact CA-OD2 3.44Å; Q449-D453 PolarHBondContact N-OD2 3.39Å; N450-D453 PolarHBondContact N-OD2 3.38Å; N450-D453 VanDerWaalsContact N-OD2 3.08Å; N450-D453 WeakPolarHBondContact O-CB 3.35Å; N450-D453 VanDerWaalsContact O-CG 3.27Å; N450-D453 PolarHBondContact O-N 3.4Å; N450-D453 VanDerWaalsContact O-N 3.12Å; N450-D453 PolarHBondContact OD1-N 3.4Å; N450-D453 PolarHBondContact OD1-OD1 3.5Å; D453-T456 VanDerWaalsContact CA-OG1 3.29Å; D453-T456 WeakPolarHBondContact CA-OG1 3.34Å; D453-T456 PolarHBondContact O-OG1 3.3Å; D453-A457 WeakPolarHBondContact O-CB 3.36Å; D453-A457 PolarHBondContact O-N 2.64Å |
| 454 | G | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70 | -38.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S92 G390 N391 Y452 | S92-G454 VanDerWaalsContact OG-CA 3.31Å; S92-G454 WeakPolarHBondContact OG-CA 3.43Å; S92-G454 PolarHBondContact OG-N 2.94Å; G390-G454 CarbonylContact C-O 3.49Å; G390-G454 VanDerWaalsContact CA-O 3.25Å; G390-G454 WeakPolarHBondContact CA-O 3.33Å; N391-G454 PolarHBondContact N-O 2.96Å; N391-G454 CarbonylContact O-C 3.56Å; N391-G454 VanDerWaalsContact O-C 3.31Å; Y452-G454 PolarHBondContact O-N 3.08Å |
| 455 | Q | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -78.9 | -42.9 | 179.5 | -173.7 | 165.6 | -68.8 | 0 | 0 | 112.2 | S92 N391 Y452 A457 V458 F459 L467 M491 Y930 | S92-Q455 PolarHBondContact OG-N 3.36Å; N391-Q455 PolarHBondContact O-N 3.47Å; Y452-Q455 PolarHBondContact O-N 2.64Å; Q455-A457 PolarHBondContact O-N 2.94Å; Q455-V458 WeakPolarHBondContact O-CB 3.41Å; Q455-V458 PolarHBondContact O-N 2.72Å; Q455-F459 HydrophobicContact CG-CD2 3.77Å; Q455-F459 HydrophobicContact CG-CE2 4.12Å; Q455-F459 WeakPolarHBondContact O-CD2 3.25Å; Q455-F459 PolarHBondContact O-N 3.43Å; Q455-F459 VanDerWaalsContact O-N 3.12Å; Q455-L467 VanDerWaalsContact NE2-CD1 3.28Å; Q455-M491 PolarHBondContact NE2-O 2.87Å; Q455-Y930 VanDerWaalsContact CD-OH 3.24Å; Q455-Y930 PolarHBondContact OE1-OH 3.41Å |
| 456 | T | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -24.1 | 179.3 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | C445 Y452 D453 V458 G460 H461 Q464 | C445-T456 WeakPolarHBondContact CB-O 3.23Å; C445-T456 PolarHBondContact SG-O 3.23Å; Y452-T456 WeakPolarHBondContact O-CB 3.43Å; Y452-T456 WeakPolarHBondContact O-CG2 3.38Å; Y452-T456 PolarHBondContact O-N 2.88Å; Y452-T456 PolarHBondContact O-OG1 3.26Å; D453-T456 VanDerWaalsContact CA-OG1 3.29Å; D453-T456 WeakPolarHBondContact CA-OG1 3.34Å; D453-T456 PolarHBondContact O-OG1 3.3Å; T456-V458 PolarHBondContact O-N 3.34Å; T456-G460 VanDerWaalsContact O-CA 3.3Å; T456-G460 WeakPolarHBondContact O-CA 3.38Å; T456-G460 PolarHBondContact O-N 2.92Å; T456-H461 WeakPolarHBondContact CG2-ND1 3.48Å; T456-Q464 HydrophobicContact CG2-CB 3.69Å; T456-Q464 HydrophobicContact CG2-CG 3.88Å |
| 457 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -23.6 | 169 | 0 | 0 | 0 | 0 | 0 | 113.6 | V347 D453 Q455 | V347-A457 HydrophobicContact CG1-CB 4.2Å; V347-A457 WeakPolarHBondContact CG1-O 3.48Å; V347-A457 HydrophobicContact CG2-CB 3.94Å; D453-A457 WeakPolarHBondContact O-CB 3.36Å; D453-A457 PolarHBondContact O-N 2.64Å; Q455-A457 PolarHBondContact O-N 2.94Å |
| 458 | V | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -95.8 | -50.7 | 179 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | L193 Q387 V392 L430 R440 Q455 T456 | L193-V458 HydrophobicContact CD1-CG1 3.89Å; L193-V458 HydrophobicContact CG-CG1 3.96Å; Q387-V458 HydrophobicContact CB-CG2 4.32Å; Q387-V458 HydrophobicContact CG-CG1 4.24Å; Q387-V458 HydrophobicContact CG-CG2 4.23Å; V392-V458 HydrophobicContact CG2-CB 4.33Å; V392-V458 HydrophobicContact CG2-CG2 3.8Å; L430-V458 HydrophobicContact CD2-CG1 3.82Å; R440-V458 WeakPolarHBondContact CD-O 3.5Å; Q455-V458 WeakPolarHBondContact O-CB 3.41Å; Q455-V458 PolarHBondContact O-N 2.72Å; T456-V458 PolarHBondContact O-N 3.34Å |
| 459 | F | 96.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 2% | 0.022 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -103.1 | -18.6 | -168 | -59.6 | -75.4 | 0 | 0 | 0 | 115 | L193 V392 C429 L430 Q455 F463 Y930 | L193-F459 HydrophobicContact CD1-CE1 4.28Å; L193-F459 HydrophobicContact CD1-CZ 4.35Å; L193-F459 HydrophobicContact CD2-CZ 4Å; L193-F459 HydrophobicContact CG-CZ 4.48Å; V392-F459 HydrophobicContact CG1-CE2 4.38Å; V392-F459 HydrophobicContact CG2-CE2 4.21Å; C429-F459 HydrophobicContact CB-CE1 4.07Å; C429-F459 HydrophobicContact CB-CZ 4.33Å; C429-F459 WeakPolarHBondContact O-CE1 3.45Å; L430-F459 HydrophobicContact CD2-CD1 4.38Å; L430-F459 HydrophobicContact CD2-CE1 4.39Å; Q455-F459 HydrophobicContact CG-CD2 3.77Å; Q455-F459 HydrophobicContact CG-CE2 4.12Å; Q455-F459 WeakPolarHBondContact O-CD2 3.25Å; Q455-F459 PolarHBondContact O-N 3.43Å; Q455-F459 VanDerWaalsContact O-N 3.12Å; F459-F463 HydrophobicContact CB-CB 4.07Å; F459-F463 HydrophobicContact CB-CD1 3.47Å; F459-F463 VanDerWaalsContact CB-CD1 3.47Å; F459-F463 HydrophobicContact CB-CE1 4.3Å; F459-F463 HydrophobicContact CB-CG 4.15Å; F459-F463 AromaticContact CD1-CD1 3.98Å; F459-F463 HydrophobicContact CD1-CD1 3.98Å; F459-F463 AromaticContact CD1-CE1 3.99Å; F459-F463 HydrophobicContact CD1-CE1 3.99Å; F459-F463 HydrophobicContact CD2-CD1 4.4Å; F459-F463 HydrophobicContact CE1-CE1 4.43Å; F459-F463 AromaticContact CG-CD1 3.72Å; F459-F463 HydrophobicContact CG-CD1 3.72Å; F459-F463 HydrophobicContact CG-CE1 4.05Å; F459-Y930 HydrophobicContact CE1-CD2 4.43Å; F459-Y930 HydrophobicContact CE1-CG 4.43Å; F459-Y930 HydrophobicContact CE2-CD2 4.29Å; F459-Y930 HydrophobicContact CE2-CE1 4.04Å; F459-Y930 AromaticContact CE2-CE2 3.83Å; F459-Y930 HydrophobicContact CE2-CE2 3.83Å; F459-Y930 AromaticContact CE2-CZ 3.68Å; F459-Y930 HydrophobicContact CZ-CD1 4.33Å; F459-Y930 AromaticContact CZ-CD2 3.69Å; F459-Y930 HydrophobicContact CZ-CD2 3.69Å; F459-Y930 HydrophobicContact CZ-CE1 4.27Å; F459-Y930 AromaticContact CZ-CE2 3.66Å; F459-Y930 HydrophobicContact CZ-CE2 3.66Å; F459-Y930 HydrophobicContact CZ-CG 4.03Å; F459-Y930 AromaticContact CZ-CZ 3.94Å |
| 460 | G | 96 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | 87.6 | 162 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S444 T456 Q464 | S444-G460 VanDerWaalsContact O-CA 3.32Å; S444-G460 WeakPolarHBondContact O-CA 3.32Å; T456-G460 VanDerWaalsContact O-CA 3.3Å; T456-G460 WeakPolarHBondContact O-CA 3.38Å; T456-G460 PolarHBondContact O-N 2.92Å; G460-Q464 PolarHBondContact O-N 3.19Å | ||
| 461 | H | 95.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70 | -32.4 | -178.5 | -71.9 | -69.7 | 0 | 0 | 0 | 113 | S444 A446 R448 T456 F463 Q464 E465 | S444-H461 PolarHBondContact O-CD2 3.25Å; S444-H461 PolarHBondContact O-N 3.26Å; A446-H461 PolarHBondContact O-NE2 2.97Å; R448-H461 VanDerWaalsContact CD-CE1 3.43Å; R448-H461 WeakPolarHBondContact CD-CE1 3.34Å; R448-H461 VanDerWaalsContact CZ-CD2 3.4Å; R448-H461 PolarHBondContact NE-CD2 2.92Å; R448-H461 PolarHBondContact NE-NE2 3.2Å; T456-H461 WeakPolarHBondContact CG2-ND1 3.48Å; H461-F463 VanDerWaalsContact C-N 3.35Å; H461-F463 PolarHBondContact O-N 2.89Å; H461-Q464 WeakPolarHBondContact O-CB 3.45Å; H461-Q464 PolarHBondContact O-N 2.85Å; H461-E465 PolarHBondContact O-N 3.37Å |
| 462 | E | 94.9 | Very high | 97.4 | Very high | 68 Ų | 68 | 21.1 Ų | 21.1 | 32% | 0.318 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 179.5 | -68.4 | 76.5 | -173.6 | 0 | 0 | 111.4 | E465 A466 | E462-E465 PolarHBondContact O-N 3.19Å; E462-A466 PolarHBondContact O-N 3.21Å; E462-A466 VanDerWaalsContact O-N 3.14Å |
| 463 | F | 96.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | 174.1 | -171.7 | -116.2 | 0 | 0 | 0 | 112 | Y437 F459 H461 E465 A466 L467 Y930 V933 L934 | Y437-F463 HydrophobicContact CD2-CD2 4.46Å; F459-F463 HydrophobicContact CB-CB 4.07Å; F459-F463 HydrophobicContact CB-CD1 3.47Å; F459-F463 VanDerWaalsContact CB-CD1 3.47Å; F459-F463 HydrophobicContact CB-CE1 4.3Å; F459-F463 HydrophobicContact CB-CG 4.15Å; F459-F463 AromaticContact CD1-CD1 3.98Å; F459-F463 HydrophobicContact CD1-CD1 3.98Å; F459-F463 AromaticContact CD1-CE1 3.99Å; F459-F463 HydrophobicContact CD1-CE1 3.99Å; F459-F463 HydrophobicContact CD2-CD1 4.4Å; F459-F463 HydrophobicContact CE1-CE1 4.43Å; F459-F463 AromaticContact CG-CD1 3.72Å; F459-F463 HydrophobicContact CG-CD1 3.72Å; F459-F463 HydrophobicContact CG-CE1 4.05Å; H461-F463 VanDerWaalsContact C-N 3.35Å; H461-F463 PolarHBondContact O-N 2.89Å; F463-E465 VanDerWaalsContact C-N 3.26Å; F463-E465 PolarHBondContact O-N 3.46Å; F463-A466 HydrophobicContact CD2-CB 4.43Å; F463-A466 WeakPolarHBondContact O-CA 3.3Å; F463-A466 WeakPolarHBondContact O-CB 3.45Å; F463-A466 PolarHBondContact O-N 3.38Å; F463-L467 HydrophobicContact CD1-CD1 4.02Å; F463-L467 HydrophobicContact CD1-CG 4.28Å; F463-L467 HydrophobicContact CE1-CD1 3.94Å; F463-L467 HydrophobicContact CE1-CD2 4.02Å; F463-L467 HydrophobicContact CE1-CG 4.11Å; F463-L467 HydrophobicContact CZ-CD2 3.96Å; F463-L467 HydrophobicContact CZ-CG 4.38Å; F463-L467 WeakPolarHBondContact O-CG 3.43Å; F463-L467 PolarHBondContact O-N 3.4Å; F463-Y930 AromaticContact CE1-CD1 3.49Å; F463-Y930 HydrophobicContact CE1-CD1 3.49Å; F463-Y930 VanDerWaalsContact CE1-CD1 3.49Å; F463-Y930 HydrophobicContact CE1-CE1 4.06Å; F463-Y930 HydrophobicContact CE1-CG 4.25Å; F463-Y930 AromaticContact CZ-CD1 3.88Å; F463-Y930 HydrophobicContact CZ-CD1 3.88Å; F463-Y930 HydrophobicContact CZ-CG 4.48Å; F463-V933 HydrophobicContact CE2-CB 4.13Å; F463-V933 HydrophobicContact CE2-CG1 3.78Å; F463-V933 HydrophobicContact CZ-CB 4.3Å; F463-V933 HydrophobicContact CZ-CG1 4.33Å; F463-L934 HydrophobicContact CD2-CD2 3.58Å; F463-L934 HydrophobicContact CD2-CG 4.23Å; F463-L934 HydrophobicContact CE2-CD1 4.48Å; F463-L934 HydrophobicContact CE2-CD2 3.38Å; F463-L934 HydrophobicContact CE2-CG 3.51Å; F463-L934 HydrophobicContact CZ-CD2 4.16Å; F463-L934 HydrophobicContact CZ-CG 3.92Å |
| 464 | Q | 97.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 6% | 0.056 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 174.3 | -172.6 | 61.7 | 48.5 | 0 | 0 | 112.2 | Y452 T456 G460 H461 A466 L467 A468 M491 | Y452-Q464 HydrophobicContact CD2-CG 4.15Å; Y452-Q464 HydrophobicContact CG-CG 4.14Å; T456-Q464 HydrophobicContact CG2-CB 3.69Å; T456-Q464 HydrophobicContact CG2-CG 3.88Å; G460-Q464 PolarHBondContact O-N 3.19Å; H461-Q464 WeakPolarHBondContact O-CB 3.45Å; H461-Q464 PolarHBondContact O-N 2.85Å; Q464-A466 VanDerWaalsContact C-N 3.35Å; Q464-L467 PolarHBondContact O-N 2.89Å; Q464-A468 PolarHBondContact O-N 3.25Å; Q464-M491 PolarHBondContact NE2-O 3.35Å |
| 465 | E | 96.5 | Very high | 97.5 | Very high | 100 Ų | 100 | 19.8 Ų | 19.8 | 47% | 0.467 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -67.1 | -34.7 | 173.2 | -71.8 | -174.5 | -164.7 | 0 | 0 | 112.9 | H461 E462 F463 A468 K469 | H461-E465 PolarHBondContact O-N 3.37Å; E462-E465 PolarHBondContact O-N 3.19Å; F463-E465 VanDerWaalsContact C-N 3.26Å; F463-E465 PolarHBondContact O-N 3.46Å; E465-A468 PolarHBondContact O-N 2.93Å; E465-K469 WeakPolarHBondContact O-CD 3.38Å; E465-K469 WeakPolarHBondContact O-CG 3.26Å; E465-K469 PolarHBondContact O-N 2.9Å; E465-K469 IonicContact OE2-NZ 3.99Å |
| 466 | A | 96.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.033 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y437 E462 F463 Q464 K469 Q470 V933 | Y437-A466 HydrophobicContact CD1-CB 4.33Å; Y437-A466 HydrophobicContact CD2-CB 3.67Å; Y437-A466 HydrophobicContact CE1-CB 4.43Å; Y437-A466 HydrophobicContact CE2-CB 3.74Å; Y437-A466 HydrophobicContact CG-CB 3.98Å; E462-A466 PolarHBondContact O-N 3.21Å; E462-A466 VanDerWaalsContact O-N 3.14Å; F463-A466 HydrophobicContact CD2-CB 4.43Å; F463-A466 WeakPolarHBondContact O-CA 3.3Å; F463-A466 WeakPolarHBondContact O-CB 3.45Å; F463-A466 PolarHBondContact O-N 3.38Å; Q464-A466 VanDerWaalsContact C-N 3.35Å; A466-K469 PolarHBondContact O-N 3.29Å; A466-Q470 WeakPolarHBondContact O-CG 3.36Å; A466-Q470 PolarHBondContact O-NE2 2.77Å; A466-V933 HydrophobicContact CB-CG1 4.29Å |
| 467 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 173.4 | -61 | 171 | 0 | 0 | 0 | 111.6 | Q455 F463 Q464 K469 Q470 V493 A494 F929 Y930 V933 | Q455-L467 VanDerWaalsContact NE2-CD1 3.28Å; F463-L467 HydrophobicContact CD1-CD1 4.02Å; F463-L467 HydrophobicContact CD1-CG 4.28Å; F463-L467 HydrophobicContact CE1-CD1 3.94Å; F463-L467 HydrophobicContact CE1-CD2 4.02Å; F463-L467 HydrophobicContact CE1-CG 4.11Å; F463-L467 HydrophobicContact CZ-CD2 3.96Å; F463-L467 HydrophobicContact CZ-CG 4.38Å; F463-L467 WeakPolarHBondContact O-CG 3.43Å; F463-L467 PolarHBondContact O-N 3.4Å; Q464-L467 PolarHBondContact O-N 2.89Å; L467-K469 PolarHBondContact O-N 3.41Å; L467-Q470 WeakPolarHBondContact O-CB 3.3Å; L467-Q470 VanDerWaalsContact O-CG 3.32Å; L467-Q470 WeakPolarHBondContact O-CG 3.21Å; L467-Q470 PolarHBondContact O-N 2.83Å; L467-V493 WeakPolarHBondContact O-CA 3.43Å; L467-A494 PolarHBondContact O-N 3.35Å; L467-A494 VanDerWaalsContact O-N 3.11Å; L467-F929 HydrophobicContact CD2-CD1 4.31Å; L467-F929 HydrophobicContact CD2-CE1 3.66Å; L467-Y930 HydrophobicContact CD1-CD1 4.35Å; L467-Y930 HydrophobicContact CD1-CE1 3.88Å; L467-Y930 HydrophobicContact CD2-CD1 4.07Å; L467-Y930 HydrophobicContact CD2-CE1 4.29Å; L467-V933 HydrophobicContact CD2-CB 4.41Å; L467-V933 HydrophobicContact CD2-CG1 4.26Å; L467-V933 HydrophobicContact CD2-CG2 4.17Å |
| 468 | A | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 10% | 0.099 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.4 | -24.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q464 E465 G492 A494 S495 S496 | Q464-A468 PolarHBondContact O-N 3.25Å; E465-A468 PolarHBondContact O-N 2.93Å; A468-G492 WeakPolarHBondContact CA-O 3.47Å; A468-A494 CarbonylContact O-C 3.58Å; A468-A494 WeakPolarHBondContact O-CA 3.44Å; A468-S495 VanDerWaalsContact CB-OG 3.31Å; A468-S495 WeakPolarHBondContact CB-OG 3.47Å; A468-S495 PolarHBondContact O-N 2.89Å; A468-S496 VanDerWaalsContact C-OG 3.28Å; A468-S496 VanDerWaalsContact O-CB 3.27Å; A468-S496 WeakPolarHBondContact O-CB 3.47Å; A468-S496 PolarHBondContact O-N 2.57Å; A468-S496 PolarHBondContact O-OG 3.18Å |
| 469 | K | 98 | Very high | 97.4 | Very high | 97 Ų | 97 | 21.1 Ų | 21.1 | 42% | 0.422 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -6.3 | -179.9 | -68.9 | 163.6 | -169.1 | 159.6 | 0 | 113.8 | E465 A466 L467 S496 | E465-K469 WeakPolarHBondContact O-CD 3.38Å; E465-K469 WeakPolarHBondContact O-CG 3.26Å; E465-K469 PolarHBondContact O-N 2.9Å; E465-K469 IonicContact OE2-NZ 3.99Å; A466-K469 PolarHBondContact O-N 3.29Å; L467-K469 PolarHBondContact O-N 3.41Å; K469-S496 WeakPolarHBondContact CA-OG 3.42Å |
| 470 | Q | 98.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 21.3 Ų | 21.3 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | trans | -66.4 | 142.2 | -175.8 | -65.7 | -55.5 | -57.4 | 0 | 0 | 112.8 | A466 L467 V493 A494 G499 C500 N570 F929 V933 | A466-Q470 WeakPolarHBondContact O-CG 3.36Å; A466-Q470 PolarHBondContact O-NE2 2.77Å; L467-Q470 WeakPolarHBondContact O-CB 3.3Å; L467-Q470 VanDerWaalsContact O-CG 3.32Å; L467-Q470 WeakPolarHBondContact O-CG 3.21Å; L467-Q470 PolarHBondContact O-N 2.83Å; Q470-V493 HydrophobicContact CB-CG1 4Å; Q470-A494 WeakPolarHBondContact O-CB 3.3Å; Q470-G499 CarbonylContact O-C 3.6Å; Q470-G499 WeakPolarHBondContact O-CA 3.4Å; Q470-C500 PolarHBondContact O-N 2.86Å; Q470-N570 WeakPolarHBondContact CA-OD1 3.43Å; Q470-F929 HydrophobicContact CG-CZ 4.22Å; Q470-V933 HydrophobicContact CG-CG2 4.04Å | ||
| 471 | R | 98.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 21.3 Ų | 21.3 | 31% | 0.309 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 110.1 | 170.7 | -66.1 | 177.7 | 65.9 | 111.7 | -3.8 | 109.7 | K498 C500 S568 N570 | R471-K498 WeakPolarHBondContact CD-O 3.38Å; R471-K498 WeakPolarHBondContact CG-O 3.41Å; R471-C500 CarbonylContact C-O 3.51Å; R471-C500 WeakPolarHBondContact CA-O 3.39Å; R471-C500 HydrophobicContact CG-CB 4.42Å; R471-S568 VanDerWaalsContact CD-O 3.27Å; R471-S568 WeakPolarHBondContact CD-O 3.44Å; R471-S568 PolarHBondContact NE-O 2.98Å; R471-S568 PolarHBondContact NH2-OG 3.1Å; R471-N570 PolarHBondContact N-OD1 3.33Å; R471-N570 WeakPolarHBondContact O-CB 3.3Å; R471-N570 PolarHBondContact O-N 3.36Å |
| 472 | W | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.5 | -173.1 | -84 | 66.1 | 0 | 0 | 0 | 111.9 | C500 L501 F502 G571 V572 A573 L597 F929 V932 | W472-C500 PolarHBondContact N-O 3.29Å; W472-L501 HydrophobicContact CB-CD2 3.65Å; W472-L501 WeakPolarHBondContact O-CA 3.45Å; W472-F502 PolarHBondContact O-N 3.19Å; W472-G571 WeakPolarHBondContact CA-O 3.47Å; W472-G571 VanDerWaalsContact CE3-C 3.41Å; W472-V572 VanDerWaalsContact CZ3-O 3.31Å; W472-V572 WeakPolarHBondContact CZ3-O 3.41Å; W472-A573 HydrophobicContact CE3-CB 4.27Å; W472-A573 HydrophobicContact CZ3-CB 4.37Å; W472-L597 HydrophobicContact CH2-CD1 3.78Å; W472-L597 HydrophobicContact CH2-CG 4.04Å; W472-L597 HydrophobicContact CZ3-CD1 3.67Å; W472-L597 HydrophobicContact CZ3-CG 3.95Å; W472-F929 AromaticContact CD1-CE2 3.97Å; W472-F929 HydrophobicContact CD2-CD2 4.12Å; W472-F929 AromaticContact CD2-CE2 3.49Å; W472-F929 HydrophobicContact CD2-CE2 3.49Å; W472-F929 VanDerWaalsContact CD2-CE2 3.49Å; W472-F929 AromaticContact CE2-CD2 3.86Å; W472-F929 AromaticContact CE2-CE2 3.22Å; W472-F929 HydrophobicContact CE3-CD2 4.15Å; W472-F929 AromaticContact CE3-CE2 3.94Å; W472-F929 HydrophobicContact CE3-CE2 3.94Å; W472-F929 AromaticContact CG-CE2 3.95Å; W472-F929 HydrophobicContact CG-CE2 3.95Å; W472-F929 AromaticContact CH2-CD2 3.66Å; W472-F929 HydrophobicContact CH2-CD2 3.66Å; W472-F929 AromaticContact CH2-CE2 3.94Å; W472-F929 HydrophobicContact CH2-CE2 3.94Å; W472-F929 AromaticContact CZ2-CD2 3.62Å; W472-F929 HydrophobicContact CZ2-CD2 3.62Å; W472-F929 AromaticContact CZ2-CE2 3.48Å; W472-F929 HydrophobicContact CZ2-CE2 3.48Å; W472-F929 VanDerWaalsContact CZ2-CE2 3.48Å; W472-F929 HydrophobicContact CZ2-CZ 4.45Å; W472-F929 AromaticContact CZ3-CD2 3.93Å; W472-F929 HydrophobicContact CZ3-CD2 3.93Å; W472-F929 HydrophobicContact CZ3-CE2 4.15Å; W472-F929 AromaticContact NE1-CE2 3.55Å; W472-F929 AromaticContact NE1-CZ 3.97Å; W472-V932 HydrophobicContact CH2-CB 4.39Å; W472-V932 HydrophobicContact CH2-CG1 3.84Å; W472-V932 HydrophobicContact CZ2-CB 4.38Å; W472-V932 HydrophobicContact CZ2-CG1 3.65Å |
| 473 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 114.8 | 177.3 | -177.3 | -148.6 | 0 | 0 | 0 | 110.5 | V475 F502 T504 V553 F561 F565 L569 G571 V572 A573 M585 | F473-V475 HydrophobicContact CD1-CG2 3.62Å; F473-V475 HydrophobicContact CD2-CG2 4.32Å; F473-V475 HydrophobicContact CE1-CG2 3.53Å; F473-V475 HydrophobicContact CE2-CG2 4.26Å; F473-V475 HydrophobicContact CG-CG2 4.04Å; F473-V475 HydrophobicContact CZ-CG2 3.89Å; F473-F502 WeakPolarHBondContact CA-O 3.47Å; F473-F502 HydrophobicContact CD2-CB 3.71Å; F473-F502 HydrophobicContact CE2-CB 4.38Å; F473-T504 HydrophobicContact CE2-CG2 3.56Å; F473-T504 HydrophobicContact CZ-CG2 3.44Å; F473-T504 VanDerWaalsContact CZ-CG2 3.44Å; F473-V553 HydrophobicContact CE1-CG1 4.16Å; F473-V553 HydrophobicContact CZ-CG1 3.98Å; F473-F561 HydrophobicContact CE1-CD1 4.27Å; F473-F561 HydrophobicContact CE1-CE1 4.29Å; F473-F561 HydrophobicContact CE2-CE1 4.05Å; F473-F561 AromaticContact CZ-CD1 3.9Å; F473-F561 HydrophobicContact CZ-CD1 3.9Å; F473-F561 AromaticContact CZ-CE1 3.48Å; F473-F561 HydrophobicContact CZ-CE1 3.48Å; F473-F561 VanDerWaalsContact CZ-CE1 3.48Å; F473-F561 HydrophobicContact CZ-CZ 4.03Å; F473-F565 HydrophobicContact CB-CZ 4.37Å; F473-F565 AromaticContact CD1-CE1 3.75Å; F473-F565 HydrophobicContact CD1-CE1 3.75Å; F473-F565 HydrophobicContact CD1-CZ 4.06Å; F473-F565 HydrophobicContact CD2-CE1 4.43Å; F473-F565 AromaticContact CD2-CZ 3.91Å; F473-F565 HydrophobicContact CD2-CZ 3.91Å; F473-F565 AromaticContact CE1-CE1 3.87Å; F473-F565 HydrophobicContact CE1-CE1 3.87Å; F473-F565 HydrophobicContact CE1-CZ 4.23Å; F473-F565 HydrophobicContact CE2-CZ 4.08Å; F473-F565 HydrophobicContact CG-CE1 4.04Å; F473-F565 AromaticContact CG-CZ 3.88Å; F473-F565 HydrophobicContact CG-CZ 3.88Å; F473-F565 HydrophobicContact CZ-CE1 4.25Å; F473-F565 HydrophobicContact CZ-CZ 4.22Å; F473-L569 HydrophobicContact CB-CD1 3.65Å; F473-L569 HydrophobicContact CB-CD2 4.19Å; F473-L569 HydrophobicContact CD1-CD1 4.4Å; F473-L569 HydrophobicContact CG-CD1 4.41Å; F473-G571 PolarHBondContact N-O 3.27Å; F473-V572 HydrophobicContact CB-CG2 4.39Å; F473-V572 CarbonylContact O-C 3.57Å; F473-V572 WeakPolarHBondContact O-CA 3.48Å; F473-A573 PolarHBondContact O-N 3.02Å; F473-M585 HydrophobicContact CD1-CE 4.07Å; F473-M585 HydrophobicContact CE1-CE 4.05Å |
| 474 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.2 | 173.3 | -56.1 | 178.5 | 0 | 0 | 0 | 108 | L484 L485 F488 L501 F502 V503 T504 A573 | I474-L484 HydrophobicContact CG2-CD1 4.42Å; I474-L485 HydrophobicContact CD1-CG 4.16Å; I474-F488 HydrophobicContact CD1-CD2 3.82Å; I474-F488 HydrophobicContact CD1-CE2 4.03Å; I474-F488 HydrophobicContact CG1-CD2 4.47Å; I474-F488 HydrophobicContact CG1-CE2 4.23Å; I474-L501 HydrophobicContact CD1-CD2 4.48Å; I474-F502 PolarHBondContact N-O 2.9Å; I474-V503 HydrophobicContact CB-CG2 4.31Å; I474-V503 HydrophobicContact CD1-CG2 4.38Å; I474-V503 WeakPolarHBondContact O-CA 3.26Å; I474-T504 PolarHBondContact O-N 3.23Å; I474-T504 VanDerWaalsContact O-N 3.08Å; I474-A573 WeakPolarHBondContact CA-O 3.37Å |
| 475 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 104.4 | -177.4 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | F473 T504 V553 V572 A573 A575 L576 M585 | F473-V475 HydrophobicContact CD1-CG2 3.62Å; F473-V475 HydrophobicContact CD2-CG2 4.32Å; F473-V475 HydrophobicContact CE1-CG2 3.53Å; F473-V475 HydrophobicContact CE2-CG2 4.26Å; F473-V475 HydrophobicContact CG-CG2 4.04Å; F473-V475 HydrophobicContact CZ-CG2 3.89Å; V475-T504 HydrophobicContact CG1-CG2 4.11Å; V475-V553 HydrophobicContact CG1-CB 4.19Å; V475-V553 HydrophobicContact CG1-CG1 3.73Å; V475-V553 HydrophobicContact CG1-CG2 3.4Å; V475-V572 HydrophobicContact CG2-CG1 3.94Å; V475-A573 PolarHBondContact N-O 3.07Å; V475-A575 CarbonylContact O-C 3.56Å; V475-A575 WeakPolarHBondContact O-CA 3.41Å; V475-A575 PolarHBondContact O-N 3.44Å; V475-L576 HydrophobicContact CB-CD2 4.49Å; V475-L576 HydrophobicContact CG1-CD2 3.79Å; V475-L576 HydrophobicContact CG1-CG 4.37Å; V475-M585 HydrophobicContact CG1-CG 4.22Å; V475-M585 HydrophobicContact CG1-SD 4.46Å; V475-M585 HydrophobicContact CG2-CE 3.85Å; V475-M585 HydrophobicContact CG2-CG 4.28Å; V475-M585 HydrophobicContact CG2-SD 4.14Å |
| 476 | G | 97.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 12.4 Ų | 12.4 | 6% | 0.062 | 6% | 0.063 | C | C | . | . | trans | 105.7 | 130.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G481 T504 A575 | G476-G481 WeakPolarHBondContact O-CA 3.42Å; G476-T504 WeakPolarHBondContact CA-O 3.37Å; G476-T504 PolarHBondContact N-O 2.93Å; G476-A575 WeakPolarHBondContact O-CB 3.27Å | ||
| 477 | A | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -114.7 | 22.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | V503 D505 F520 K529 A533 | A477-V503 HydrophobicContact CB-CG1 4.1Å; A477-D505 WeakPolarHBondContact CA-OD2 3.32Å; A477-D505 HydrophobicContact CB-CB 3.63Å; A477-D505 PolarHBondContact N-OD2 3.31Å; A477-F520 WeakPolarHBondContact O-CZ 3.44Å; A477-K529 HydrophobicContact CB-CB 3.96Å; A477-A533 HydrophobicContact CB-CB 4.25Å | ||
| 478 | G | 96.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 12.4 Ų | 12.4 | 10% | 0.103 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -75.1 | -149.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I480 G481 C482 D505 | G478-I480 PolarHBondContact O-N 2.79Å; G478-G481 PolarHBondContact O-N 2.73Å; G478-C482 PolarHBondContact O-N 3.21Å; G478-C482 PolarHBondContact O-SG 2.86Å; G478-C482 VanDerWaalsContact O-SG 3.35Å; G478-D505 PolarHBondContact N-OD2 2.74Å |
| 479 | A | 97.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 11.8 Ų | 11.8 | 12% | 0.116 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.1 | -54.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.1 | G481 E483 R516 Q517 T918 | A479-G481 VanDerWaalsContact C-N 3.32Å; A479-G481 PolarHBondContact O-N 2.7Å; A479-E483 PolarHBondContact O-N 2.97Å; A479-R516 HydrophobicContact CB-CB 4.48Å; A479-R516 HydrophobicContact CB-CG 3.82Å; A479-Q517 HydrophobicContact CB-CG 4.21Å; A479-T918 HydrophobicContact CB-CG2 3.67Å; A479-T918 VanDerWaalsContact O-CG2 3.32Å; A479-T918 WeakPolarHBondContact O-CG2 3.5Å |
| 480 | I | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 7.2 Ų | 7.2 | 4% | 0.041 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.5 | -63.1 | 173.9 | 0 | 0 | 0 | 110.3 | G478 C482 E483 L484 A575 S599 T601 T918 | G478-I480 PolarHBondContact O-N 2.79Å; I480-C482 PolarHBondContact O-N 3.26Å; I480-E483 PolarHBondContact O-N 3.23Å; I480-E483 VanDerWaalsContact O-N 3.1Å; I480-L484 HydrophobicContact CG2-CD1 3.81Å; I480-L484 HydrophobicContact CG2-CG 3.91Å; I480-L484 WeakPolarHBondContact O-CG 3.43Å; I480-L484 PolarHBondContact O-N 3.45Å; I480-A575 HydrophobicContact CB-CB 3.92Å; I480-A575 HydrophobicContact CG2-CB 3.88Å; I480-S599 WeakPolarHBondContact CG2-OG 3.36Å; I480-T601 HydrophobicContact CD1-CG2 4.27Å; I480-T918 HydrophobicContact CB-CG2 4.48Å; I480-T918 HydrophobicContact CG1-CG2 3.94Å |
| 481 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G476 G478 A479 E483 L484 L485 | G476-G481 WeakPolarHBondContact O-CA 3.42Å; G478-G481 PolarHBondContact O-N 2.73Å; A479-G481 VanDerWaalsContact C-N 3.32Å; A479-G481 PolarHBondContact O-N 2.7Å; G481-E483 PolarHBondContact O-N 3.26Å; G481-L484 PolarHBondContact O-N 3.1Å; G481-L485 WeakPolarHBondContact O-CB 3.34Å; G481-L485 PolarHBondContact O-N 2.9Å |
| 482 | C | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 173 | -71.3 | 0 | 0 | 0 | 0 | 112.7 | G478 I480 K486 F518 L519 | G478-C482 PolarHBondContact O-N 3.21Å; G478-C482 PolarHBondContact O-SG 2.86Å; G478-C482 VanDerWaalsContact O-SG 3.35Å; I480-C482 PolarHBondContact O-N 3.26Å; C482-K486 WeakPolarHBondContact O-CB 3.48Å; C482-K486 PolarHBondContact O-N 3.35Å; C482-F518 HydrophobicContact CB-CD1 4.38Å; C482-F518 HydrophobicContact CB-CE1 4.39Å; C482-L519 HydrophobicContact CB-CB 4.49Å; C482-L519 HydrophobicContact CB-CD1 3.89Å; C482-L519 HydrophobicContact CB-CG 3.84Å |
| 483 | E | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -69.9 | -41.7 | -179.8 | -64.3 | -63.3 | 170 | 0 | 0 | 111.9 | K68 A479 I480 G481 K486 Y487 T918 A922 | K68-E483 IonicContact NZ-OE1 2.81Å; K68-E483 PolarHBondContact NZ-OE1 2.93Å; A479-E483 PolarHBondContact O-N 2.97Å; I480-E483 PolarHBondContact O-N 3.23Å; I480-E483 VanDerWaalsContact O-N 3.1Å; G481-E483 PolarHBondContact O-N 3.26Å; E483-K486 WeakPolarHBondContact O-CB 3.11Å; E483-K486 PolarHBondContact O-N 3.34Å; E483-K486 VanDerWaalsContact OE2-CE 3.24Å; E483-K486 WeakPolarHBondContact OE2-CE 3.35Å; E483-K486 IonicContact OE2-NZ 3.27Å; E483-K486 PolarHBondContact OE2-NZ 2.93Å; E483-Y487 HydrophobicContact CB-CE2 4.12Å; E483-Y487 WeakPolarHBondContact O-CD2 3.41Å; E483-Y487 PolarHBondContact O-N 3.06Å; E483-T918 HydrophobicContact CG-CG2 3.79Å; E483-A922 HydrophobicContact CB-CB 3.39Å; E483-A922 HydrophobicContact CG-CB 4.4Å |
| 484 | L | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 2.2 Ų | 2.2 | 2% | 0.016 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 173.8 | -72.4 | 178.1 | 0 | 0 | 0 | 111.1 | I474 I480 G481 K486 Y487 F488 A573 A575 A922 A925 | I474-L484 HydrophobicContact CG2-CD1 4.42Å; I480-L484 HydrophobicContact CG2-CD1 3.81Å; I480-L484 HydrophobicContact CG2-CG 3.91Å; I480-L484 WeakPolarHBondContact O-CG 3.43Å; I480-L484 PolarHBondContact O-N 3.45Å; G481-L484 PolarHBondContact O-N 3.1Å; L484-K486 VanDerWaalsContact C-N 3.34Å; L484-K486 PolarHBondContact O-N 3.25Å; L484-Y487 PolarHBondContact O-N 3.42Å; L484-F488 VanDerWaalsContact O-CB 3.28Å; L484-F488 WeakPolarHBondContact O-CB 3.36Å; L484-F488 WeakPolarHBondContact O-CD1 3.41Å; L484-F488 WeakPolarHBondContact O-CG 3.47Å; L484-F488 PolarHBondContact O-N 2.8Å; L484-A573 HydrophobicContact CD1-CB 4.14Å; L484-A575 HydrophobicContact CD1-CB 4.25Å; L484-A922 HydrophobicContact CD2-CB 4.25Å; L484-A922 HydrophobicContact CG-CB 4.46Å; L484-A925 HydrophobicContact CD2-CB 4.25Å |
| 485 | L | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -56.6 | -47.4 | 175.3 | -99.4 | 149.4 | 0 | 0 | 0 | 111.4 | I474 G481 Y487 F488 S489 V503 L519 A533 A537 L546 | I474-L485 HydrophobicContact CD1-CG 4.16Å; G481-L485 WeakPolarHBondContact O-CB 3.34Å; G481-L485 PolarHBondContact O-N 2.9Å; L485-Y487 PolarHBondContact O-N 3.33Å; L485-F488 PolarHBondContact O-N 2.86Å; L485-S489 WeakPolarHBondContact O-CB 3.44Å; L485-S489 PolarHBondContact O-N 3.4Å; L485-S489 PolarHBondContact O-OG 2.95Å; L485-V503 HydrophobicContact CD1-CG1 3.97Å; L485-V503 HydrophobicContact CD1-CG2 4.02Å; L485-V503 HydrophobicContact CD2-CG2 4.15Å; L485-V503 HydrophobicContact CG-CG2 4.3Å; L485-L519 HydrophobicContact CB-CD1 4.22Å; L485-A533 HydrophobicContact CD1-CB 3.92Å; L485-A537 HydrophobicContact CB-CB 4.31Å; L485-A537 HydrophobicContact CD2-CB 3.45Å; L485-A537 VanDerWaalsContact CD2-CB 3.45Å; L485-A537 HydrophobicContact CG-CB 4.44Å; L485-L546 HydrophobicContact CD2-CD1 4.11Å; L485-L546 HydrophobicContact CD2-CD2 4.4Å |
| 486 | K | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -55.9 | -51 | 175.9 | -177.2 | -165.1 | 76.1 | -171.5 | 0 | 111.9 | E65 Y95 C482 E483 L484 S489 M490 F518 F540 | E65-K486 IonicContact OE1-NZ 2.84Å; E65-K486 PolarHBondContact OE1-NZ 3.44Å; E65-K486 IonicContact OE2-NZ 3.54Å; E65-K486 PolarHBondContact OE2-NZ 3.45Å; Y95-K486 HydrophobicContact CD1-CD 3.6Å; Y95-K486 HydrophobicContact CD1-CG 3.96Å; Y95-K486 HydrophobicContact CD2-CD 4.24Å; Y95-K486 HydrophobicContact CE1-CD 3.68Å; Y95-K486 HydrophobicContact CE2-CD 4.32Å; Y95-K486 HydrophobicContact CG-CD 3.9Å; Y95-K486 HydrophobicContact CG-CG 3.96Å; C482-K486 WeakPolarHBondContact O-CB 3.48Å; C482-K486 PolarHBondContact O-N 3.35Å; E483-K486 WeakPolarHBondContact O-CB 3.11Å; E483-K486 PolarHBondContact O-N 3.34Å; E483-K486 VanDerWaalsContact OE2-CE 3.24Å; E483-K486 WeakPolarHBondContact OE2-CE 3.35Å; E483-K486 IonicContact OE2-NZ 3.27Å; E483-K486 PolarHBondContact OE2-NZ 2.93Å; L484-K486 VanDerWaalsContact C-N 3.34Å; L484-K486 PolarHBondContact O-N 3.25Å; K486-S489 WeakPolarHBondContact O-CB 3.04Å; K486-S489 PolarHBondContact O-N 3.1Å; K486-M490 WeakPolarHBondContact O-CG 3.45Å; K486-M490 PolarHBondContact O-N 3.02Å; K486-M490 VanDerWaalsContact O-N 3.08Å; K486-F518 HydrophobicContact CB-CE1 4.1Å; K486-F518 HydrophobicContact CB-CZ 3.81Å; K486-F518 HydrophobicContact CD-CE1 3.83Å; K486-F518 HydrophobicContact CD-CE2 4.23Å; K486-F518 HydrophobicContact CD-CZ 3.38Å; K486-F518 HydrophobicContact CG-CE1 4.37Å; K486-F518 HydrophobicContact CG-CZ 3.73Å; K486-F540 HydrophobicContact CB-CE2 4.06Å; K486-F540 HydrophobicContact CG-CD2 4.32Å; K486-F540 HydrophobicContact CG-CE2 3.91Å |
| 487 | Y | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.6 | -42 | -177.9 | -63.6 | -47.4 | 0 | 0 | 0 | 112 | E65 A393 G397 E483 L484 L485 S489 M490 M491 A919 A922 C926 | E65-Y487 PolarHBondContact OE1-OH 3.14Å; E65-Y487 PolarHBondContact OE2-OH 3.37Å; A393-Y487 HydrophobicContact CB-CD1 4.07Å; A393-Y487 WeakPolarHBondContact O-CE1 3.41Å; G397-Y487 VanDerWaalsContact CA-CZ 3.49Å; G397-Y487 WeakPolarHBondContact CA-OH 3.48Å; E483-Y487 HydrophobicContact CB-CE2 4.12Å; E483-Y487 WeakPolarHBondContact O-CD2 3.41Å; E483-Y487 PolarHBondContact O-N 3.06Å; L484-Y487 PolarHBondContact O-N 3.42Å; L485-Y487 PolarHBondContact O-N 3.33Å; Y487-S489 VanDerWaalsContact C-N 3.25Å; Y487-S489 PolarHBondContact O-N 2.82Å; Y487-M490 PolarHBondContact O-N 2.69Å; Y487-M490 VanDerWaalsContact O-N 3.14Å; Y487-M491 VanDerWaalsContact O-CB 3.31Å; Y487-M491 WeakPolarHBondContact O-CB 3.42Å; Y487-M491 WeakPolarHBondContact O-CG 3.39Å; Y487-M491 PolarHBondContact O-N 2.9Å; Y487-A919 PolarHBondContact OH-O 2.9Å; Y487-A922 HydrophobicContact CD2-CB 4.03Å; Y487-A922 HydrophobicContact CE2-CB 3.76Å; Y487-C926 VanDerWaalsContact CB-SG 3.57Å |
| 488 | F | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -36.4 | 175.2 | -78.8 | 19.4 | 0 | 0 | 0 | 111.4 | I474 L484 L485 M491 G492 V493 L501 A573 F929 | I474-F488 HydrophobicContact CD1-CD2 3.82Å; I474-F488 HydrophobicContact CD1-CE2 4.03Å; I474-F488 HydrophobicContact CG1-CD2 4.47Å; I474-F488 HydrophobicContact CG1-CE2 4.23Å; L484-F488 VanDerWaalsContact O-CB 3.28Å; L484-F488 WeakPolarHBondContact O-CB 3.36Å; L484-F488 WeakPolarHBondContact O-CD1 3.41Å; L484-F488 WeakPolarHBondContact O-CG 3.47Å; L484-F488 PolarHBondContact O-N 2.8Å; L485-F488 PolarHBondContact O-N 2.86Å; F488-M491 HydrophobicContact CD1-SD 4.25Å; F488-M491 PolarHBondContact O-N 3.43Å; F488-G492 PolarHBondContact O-N 2.98Å; F488-V493 HydrophobicContact CB-CB 4.08Å; F488-V493 HydrophobicContact CB-CG2 4.16Å; F488-V493 HydrophobicContact CD1-CG2 4.33Å; F488-V493 HydrophobicContact CD2-CB 4.39Å; F488-V493 HydrophobicContact CD2-CG1 4.19Å; F488-V493 HydrophobicContact CG-CB 4.27Å; F488-V493 HydrophobicContact CG-CG2 4.1Å; F488-V493 PolarHBondContact O-N 3.26Å; F488-L501 HydrophobicContact CB-CD1 4Å; F488-L501 HydrophobicContact CD2-CD1 3.98Å; F488-L501 HydrophobicContact CD2-CD2 3.62Å; F488-L501 HydrophobicContact CD2-CG 4.47Å; F488-L501 HydrophobicContact CE2-CD2 4.02Å; F488-A573 HydrophobicContact CZ-CB 4.48Å; F488-F929 AromaticContact CE1-CD2 3.98Å; F488-F929 HydrophobicContact CE1-CD2 3.98Å; F488-F929 HydrophobicContact CE1-CE2 4.3Å; F488-F929 HydrophobicContact CE1-CG 4.15Å; F488-F929 HydrophobicContact CE2-CD2 4.42Å; F488-F929 HydrophobicContact CE2-CE2 4.13Å; F488-F929 AromaticContact CZ-CD2 3.6Å; F488-F929 HydrophobicContact CZ-CD2 3.6Å; F488-F929 AromaticContact CZ-CE2 3.75Å; F488-F929 HydrophobicContact CZ-CE2 3.75Å; F488-F929 HydrophobicContact CZ-CG 4.24Å |
| 489 | S | 97.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 172.8 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | L485 K486 Y487 M491 G492 A537 N541 L544 | L485-S489 WeakPolarHBondContact O-CB 3.44Å; L485-S489 PolarHBondContact O-N 3.4Å; L485-S489 PolarHBondContact O-OG 2.95Å; K486-S489 WeakPolarHBondContact O-CB 3.04Å; K486-S489 PolarHBondContact O-N 3.1Å; Y487-S489 VanDerWaalsContact C-N 3.25Å; Y487-S489 PolarHBondContact O-N 2.82Å; S489-M491 VanDerWaalsContact C-N 3.35Å; S489-G492 PolarHBondContact O-N 3.45Å; S489-A537 PolarHBondContact OG-O 3.3Å; S489-N541 PolarHBondContact O-ND2 3.11Å; S489-L544 WeakPolarHBondContact OG-CD1 3.35Å |
| 490 | M | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 178.1 | -67.6 | -56 | 97.4 | 0 | 0 | 112.2 | A393 K486 Y487 G492 F540 | A393-M490 HydrophobicContact CB-CB 3.52Å; A393-M490 HydrophobicContact CB-CG 4.06Å; K486-M490 WeakPolarHBondContact O-CG 3.45Å; K486-M490 PolarHBondContact O-N 3.02Å; K486-M490 VanDerWaalsContact O-N 3.08Å; Y487-M490 PolarHBondContact O-N 2.69Å; Y487-M490 VanDerWaalsContact O-N 3.14Å; M490-G492 PolarHBondContact O-N 3.32Å; M490-F540 HydrophobicContact CE-CB 3.61Å; M490-F540 HydrophobicContact CE-CG 4.32Å |
| 491 | M | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.6 | -16.7 | 177.8 | -70 | 163.6 | 60.2 | 0 | 0 | 112.9 | P394 Q455 Q464 Y487 F488 S489 V493 C926 F929 Y930 | P394-M491 HydrophobicContact CG-CG 4.24Å; P394-M491 HydrophobicContact CG-SD 3.6Å; Q455-M491 PolarHBondContact NE2-O 2.87Å; Q464-M491 PolarHBondContact NE2-O 3.35Å; Y487-M491 VanDerWaalsContact O-CB 3.31Å; Y487-M491 WeakPolarHBondContact O-CB 3.42Å; Y487-M491 WeakPolarHBondContact O-CG 3.39Å; Y487-M491 PolarHBondContact O-N 2.9Å; F488-M491 HydrophobicContact CD1-SD 4.25Å; F488-M491 PolarHBondContact O-N 3.43Å; S489-M491 VanDerWaalsContact C-N 3.35Å; M491-V493 VanDerWaalsContact C-N 3.33Å; M491-V493 HydrophobicContact CB-CG2 3.89Å; M491-V493 HydrophobicContact CE-CG2 4.12Å; M491-C926 HydrophobicContact CE-CB 4.48Å; M491-C926 HydrophobicContact SD-CB 3.89Å; M491-F929 HydrophobicContact CE-CD1 3.36Å; M491-F929 HydrophobicContact CE-CE1 3.8Å; M491-F929 HydrophobicContact CE-CG 4.23Å; M491-Y930 HydrophobicContact CE-CD1 4Å; M491-Y930 HydrophobicContact CE-CE1 3.56Å; M491-Y930 HydrophobicContact CE-CE2 4.47Å; M491-Y930 HydrophobicContact CG-CE1 4.41Å; M491-Y930 WeakPolarHBondContact CG-OH 3.39Å |
| 492 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 26.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A468 F488 S489 M490 A494 S495 | A468-G492 WeakPolarHBondContact CA-O 3.47Å; F488-G492 PolarHBondContact O-N 2.98Å; S489-G492 PolarHBondContact O-N 3.45Å; M490-G492 PolarHBondContact O-N 3.32Å; G492-A494 PolarHBondContact O-N 3.02Å; G492-S495 WeakPolarHBondContact O-CB 3.43Å; G492-S495 PolarHBondContact O-N 3.42Å; G492-S495 PolarHBondContact O-OG 3.35Å |
| 493 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 132.3 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | L467 Q470 F488 M491 S495 L501 L544 F929 | L467-V493 WeakPolarHBondContact O-CA 3.43Å; Q470-V493 HydrophobicContact CB-CG1 4Å; F488-V493 HydrophobicContact CB-CB 4.08Å; F488-V493 HydrophobicContact CB-CG2 4.16Å; F488-V493 HydrophobicContact CD1-CG2 4.33Å; F488-V493 HydrophobicContact CD2-CB 4.39Å; F488-V493 HydrophobicContact CD2-CG1 4.19Å; F488-V493 HydrophobicContact CG-CB 4.27Å; F488-V493 HydrophobicContact CG-CG2 4.1Å; F488-V493 PolarHBondContact O-N 3.26Å; M491-V493 VanDerWaalsContact C-N 3.33Å; M491-V493 HydrophobicContact CB-CG2 3.89Å; M491-V493 HydrophobicContact CE-CG2 4.12Å; V493-S495 VanDerWaalsContact C-N 3.25Å; V493-S495 PolarHBondContact O-N 3.44Å; V493-L501 HydrophobicContact CB-CD1 4.3Å; V493-L501 HydrophobicContact CG1-CD1 4.2Å; V493-L501 HydrophobicContact CG1-CD2 3.93Å; V493-L501 HydrophobicContact CG1-CG 4.24Å; V493-L544 WeakPolarHBondContact O-CD2 3.24Å; V493-F929 HydrophobicContact CB-CZ 4.43Å; V493-F929 HydrophobicContact CG1-CE1 4.47Å; V493-F929 HydrophobicContact CG1-CE2 4.47Å; V493-F929 HydrophobicContact CG1-CZ 3.75Å; V493-F929 HydrophobicContact CG2-CE1 3.63Å; V493-F929 HydrophobicContact CG2-CZ 3.72Å |
| 494 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 25.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | L467 A468 Q470 G492 S496 C500 L501 N545 | L467-A494 PolarHBondContact O-N 3.35Å; L467-A494 VanDerWaalsContact O-N 3.11Å; A468-A494 CarbonylContact O-C 3.58Å; A468-A494 WeakPolarHBondContact O-CA 3.44Å; Q470-A494 WeakPolarHBondContact O-CB 3.3Å; G492-A494 PolarHBondContact O-N 3.02Å; A494-S496 VanDerWaalsContact C-N 3.3Å; A494-S496 PolarHBondContact O-N 2.69Å; A494-C500 VanDerWaalsContact CB-N 3.33Å; A494-L501 HydrophobicContact CB-CB 4.48Å; A494-L501 HydrophobicContact CB-CD1 4.3Å; A494-L501 HydrophobicContact CB-CG 3.76Å; A494-N545 PolarHBondContact O-N 3.47Å; A494-N545 VanDerWaalsContact O-N 3.08Å |
| 495 | S | 97.3 | Very high | 97.8 | Very high | 26 Ų | 26 | 22.2 Ų | 22.2 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | trans | -84 | 2.7 | 178 | 60.6 | 0 | 0 | 0 | 0 | 115 | A468 G492 V493 S543 | A468-S495 VanDerWaalsContact CB-OG 3.31Å; A468-S495 WeakPolarHBondContact CB-OG 3.47Å; A468-S495 PolarHBondContact O-N 2.89Å; G492-S495 WeakPolarHBondContact O-CB 3.43Å; G492-S495 PolarHBondContact O-N 3.42Å; G492-S495 PolarHBondContact O-OG 3.35Å; V493-S495 VanDerWaalsContact C-N 3.25Å; V493-S495 PolarHBondContact O-N 3.44Å; S495-S543 WeakPolarHBondContact CA-O 3.34Å | ||
| 496 | S | 96.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 21% | 0.21 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -106.1 | 159.3 | 172.8 | 79.8 | 0 | 0 | 0 | 0 | 111.4 | A468 K469 A494 K498 G499 N545 | A468-S496 VanDerWaalsContact C-OG 3.28Å; A468-S496 VanDerWaalsContact O-CB 3.27Å; A468-S496 WeakPolarHBondContact O-CB 3.47Å; A468-S496 PolarHBondContact O-N 2.57Å; A468-S496 PolarHBondContact O-OG 3.18Å; K469-S496 WeakPolarHBondContact CA-OG 3.42Å; A494-S496 VanDerWaalsContact C-N 3.3Å; A494-S496 PolarHBondContact O-N 2.69Å; S496-K498 PolarHBondContact O-N 3.44Å; S496-K498 PolarHBondContact OG-N 3.25Å; S496-G499 PolarHBondContact O-N 3.44Å; S496-N545 PolarHBondContact O-ND2 2.89Å |
| 497 | Q | 94.5 | Very high | 97.3 | Very high | 197 Ų | 197 | 28.4 Ų | 28.4 | 92% | 0.921 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -22 | 177.7 | -67 | -178 | -11.3 | 0 | 0 | 115.1 | ||
| 498 | K | 95.6 | Very high | 97.2 | Very high | 158 Ų | 158 | 31.2 Ų | 31.2 | 69% | 0.687 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -18.7 | 177.3 | -67.3 | -172.2 | 176.5 | -173.7 | 0 | 113.2 | R471 S496 | R471-K498 WeakPolarHBondContact CD-O 3.38Å; R471-K498 WeakPolarHBondContact CG-O 3.41Å; S496-K498 PolarHBondContact O-N 3.44Å; S496-K498 PolarHBondContact OG-N 3.25Å |
| 499 | G | 98 | Very high | 97 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | trans | -87.9 | 153.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q470 S496 N545 | Q470-G499 CarbonylContact O-C 3.6Å; Q470-G499 WeakPolarHBondContact O-CA 3.4Å; S496-G499 PolarHBondContact O-N 3.44Å; G499-N545 VanDerWaalsContact O-CB 3.29Å; G499-N545 WeakPolarHBondContact O-CB 3.41Å; G499-N545 PolarHBondContact O-ND2 3.08Å | ||
| 500 | C | 98.3 | Very high | 96.7 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 134.6 | 173.2 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | Q470 R471 W472 A494 F502 N545 | Q470-C500 PolarHBondContact O-N 2.86Å; R471-C500 CarbonylContact C-O 3.51Å; R471-C500 WeakPolarHBondContact CA-O 3.39Å; R471-C500 HydrophobicContact CG-CB 4.42Å; W472-C500 PolarHBondContact N-O 3.29Å; A494-C500 VanDerWaalsContact CB-N 3.33Å; C500-F502 HydrophobicContact CB-CE2 3.88Å; C500-F502 HydrophobicContact CB-CZ 4.17Å; C500-N545 CarbonylContact C-O 3.56Å; C500-N545 WeakPolarHBondContact CA-O 3.45Å |
| 501 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.5 | 168 | -73.3 | 168.6 | 0 | 0 | 0 | 109.7 | W472 I474 F488 V493 A494 N545 L546 K547 | W472-L501 HydrophobicContact CB-CD2 3.65Å; W472-L501 WeakPolarHBondContact O-CA 3.45Å; I474-L501 HydrophobicContact CD1-CD2 4.48Å; F488-L501 HydrophobicContact CB-CD1 4Å; F488-L501 HydrophobicContact CD2-CD1 3.98Å; F488-L501 HydrophobicContact CD2-CD2 3.62Å; F488-L501 HydrophobicContact CD2-CG 4.47Å; F488-L501 HydrophobicContact CE2-CD2 4.02Å; V493-L501 HydrophobicContact CB-CD1 4.3Å; V493-L501 HydrophobicContact CG1-CD1 4.2Å; V493-L501 HydrophobicContact CG1-CD2 3.93Å; V493-L501 HydrophobicContact CG1-CG 4.24Å; A494-L501 HydrophobicContact CB-CB 4.48Å; A494-L501 HydrophobicContact CB-CD1 4.3Å; A494-L501 HydrophobicContact CB-CG 3.76Å; L501-N545 PolarHBondContact N-O 3.26Å; L501-L546 HydrophobicContact CB-CD2 3.55Å; L501-L546 HydrophobicContact CD1-CD2 3.69Å; L501-L546 HydrophobicContact CG-CD2 4.18Å; L501-L546 CarbonylContact O-C 3.54Å; L501-L546 WeakPolarHBondContact O-CA 3.47Å; L501-K547 PolarHBondContact O-N 3.32Å |
| 502 | F | 98.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134 | 170.9 | -58.6 | -91.1 | 0 | 0 | 0 | 108.3 | W472 F473 I474 C500 K547 M549 F565 L569 | W472-F502 PolarHBondContact O-N 3.19Å; F473-F502 WeakPolarHBondContact CA-O 3.47Å; F473-F502 HydrophobicContact CD2-CB 3.71Å; F473-F502 HydrophobicContact CE2-CB 4.38Å; I474-F502 PolarHBondContact N-O 2.9Å; C500-F502 HydrophobicContact CB-CE2 3.88Å; C500-F502 HydrophobicContact CB-CZ 4.17Å; F502-K547 WeakPolarHBondContact CA-O 3.24Å; F502-K547 HydrophobicContact CD1-CB 4Å; F502-K547 HydrophobicContact CD1-CD 3.87Å; F502-K547 HydrophobicContact CD1-CG 4.34Å; F502-K547 HydrophobicContact CE1-CB 4.34Å; F502-K547 HydrophobicContact CE1-CD 3.72Å; F502-M549 HydrophobicContact CD1-SD 4.3Å; F502-F565 HydrophobicContact CB-CE2 4.24Å; F502-F565 HydrophobicContact CB-CZ 4.14Å; F502-F565 AromaticContact CD1-CE2 3.67Å; F502-F565 HydrophobicContact CD1-CE2 3.67Å; F502-F565 HydrophobicContact CD1-CZ 4.4Å; F502-F565 HydrophobicContact CD2-CE2 4.19Å; F502-F565 HydrophobicContact CD2-CZ 4.48Å; F502-F565 AromaticContact CE1-CE2 3.99Å; F502-F565 HydrophobicContact CE1-CE2 3.99Å; F502-F565 HydrophobicContact CE2-CE2 4.49Å; F502-F565 AromaticContact CG-CE2 3.77Å; F502-F565 HydrophobicContact CG-CE2 3.77Å; F502-F565 HydrophobicContact CG-CZ 4.1Å; F502-F565 HydrophobicContact CZ-CE2 4.39Å; F502-L569 HydrophobicContact CD2-CD2 3.82Å; F502-L569 HydrophobicContact CE2-CD2 4Å |
| 503 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 118.9 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | I474 A477 L485 V534 K547 S548 M549 | I474-V503 HydrophobicContact CB-CG2 4.31Å; I474-V503 HydrophobicContact CD1-CG2 4.38Å; I474-V503 WeakPolarHBondContact O-CA 3.26Å; A477-V503 HydrophobicContact CB-CG1 4.1Å; L485-V503 HydrophobicContact CD1-CG1 3.97Å; L485-V503 HydrophobicContact CD1-CG2 4.02Å; L485-V503 HydrophobicContact CD2-CG2 4.15Å; L485-V503 HydrophobicContact CG-CG2 4.3Å; V503-V534 HydrophobicContact CB-CG2 3.92Å; V503-V534 HydrophobicContact CG2-CG2 3.85Å; V503-K547 PolarHBondContact N-O 3Å; V503-S548 CarbonylContact O-C 3Å; V503-S548 WeakPolarHBondContact O-CA 3.27Å; V503-M549 PolarHBondContact O-N 3.31Å |
| 504 | T | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140 | 175.1 | -157.4 | 0 | 0 | 0 | 0 | 112.7 | F473 I474 V475 G476 M549 E551 V553 F561 | F473-T504 HydrophobicContact CE2-CG2 3.56Å; F473-T504 HydrophobicContact CZ-CG2 3.44Å; F473-T504 VanDerWaalsContact CZ-CG2 3.44Å; I474-T504 PolarHBondContact O-N 3.23Å; I474-T504 VanDerWaalsContact O-N 3.08Å; V475-T504 HydrophobicContact CG1-CG2 4.11Å; G476-T504 WeakPolarHBondContact CA-O 3.37Å; G476-T504 PolarHBondContact N-O 2.93Å; T504-M549 WeakPolarHBondContact CA-O 3.43Å; T504-M549 WeakPolarHBondContact OG1-CB 3.29Å; T504-M549 PolarHBondContact OG1-O 3Å; T504-E551 PolarHBondContact OG1-N 2.75Å; T504-E551 PolarHBondContact OG1-O 2.86Å; T504-V553 HydrophobicContact CG2-CG1 3.78Å; T504-F561 HydrophobicContact CG2-CZ 4.14Å |
| 505 | D | 97.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | trans | -158.8 | 130.8 | 169.3 | -163.6 | -45.4 | 0 | 0 | 0 | 109 | A477 G478 D507 K529 M549 C550 | A477-D505 WeakPolarHBondContact CA-OD2 3.32Å; A477-D505 HydrophobicContact CB-CB 3.63Å; A477-D505 PolarHBondContact N-OD2 3.31Å; G478-D505 PolarHBondContact N-OD2 2.74Å; D505-D507 VanDerWaalsContact OD1-CB 3.28Å; D505-D507 WeakPolarHBondContact OD1-CB 3.2Å; D505-D507 PolarHBondContact OD1-N 3.06Å; D505-K529 HydrophobicContact CB-CB 4.26Å; D505-M549 PolarHBondContact N-O 3.31Å; D505-C550 WeakPolarHBondContact O-CA 3.49Å | ||
| 506 | M | 93.6 | Very high | 95.5 | Very high | 74 Ų | 74 | 36.4 Ų | 36.4 | 37% | 0.365 | 18% | 0.184 | S | C | . | . | trans | -81 | -19.4 | -179.3 | 70.1 | -118 | -173.4 | 0 | 0 | 113.5 | K528 C550 R552 | M506-K528 PolarHBondContact O-NZ 3.49Å; M506-C550 WeakPolarHBondContact CA-O 3.47Å; M506-R552 HydrophobicContact CB-CB 4.19Å; M506-R552 HydrophobicContact CE-CG 4.35Å; M506-R552 HydrophobicContact CG-CB 4.33Å; M506-R552 HydrophobicContact SD-CB 3.49Å; M506-R552 WeakPolarHBondContact SD-CB 3.43Å; M506-R552 HydrophobicContact SD-CG 3.46Å; M506-R552 WeakPolarHBondContact SD-CG 3.44Å | ||
| 507 | D | 93.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 160.8 | -169.2 | -67.9 | -9.5 | 0 | 0 | 0 | 112.7 | D505 K529 | D505-D507 VanDerWaalsContact OD1-CB 3.28Å; D505-D507 WeakPolarHBondContact OD1-CB 3.2Å; D505-D507 PolarHBondContact OD1-N 3.06Å; D507-K529 HydrophobicContact CB-CD 3.82Å; D507-K529 HydrophobicContact CB-CG 4.36Å; D507-K529 VanDerWaalsContact CB-NZ 3.26Å; D507-K529 PolarHBondContact O-N 3.37Å; D507-K529 VanDerWaalsContact O-N 3.09Å; D507-K529 IonicContact OD2-NZ 2.93Å; D507-K529 PolarHBondContact OD2-NZ 3.04Å |
| 508 | T | 94.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 26 Ų | 26 | 37% | 0.368 | 13% | 0.132 | S | C | . | . | B | Isolated β-bridge | trans | -99 | 159.8 | 167.1 | 52.2 | 0 | 0 | 0 | 0 | 111 | K527 K528 K529 | T508-K527 CarbonylContact C-O 3.46Å; T508-K527 WeakPolarHBondContact CA-O 3.43Å; T508-K527 WeakPolarHBondContact CB-O 3.3Å; T508-K528 HydrophobicContact CG2-CD 4.14Å; T508-K529 VanDerWaalsContact O-CE 3.23Å; T508-K529 WeakPolarHBondContact O-CE 3.29Å |
| 509 | I | 95.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 129.1 | 179.7 | -62.6 | 163.4 | 0 | 0 | 0 | 109.8 | L514 F520 D524 V525 G526 K527 K529 V532 | I509-L514 HydrophobicContact CG2-CD2 4.18Å; I509-F520 HydrophobicContact CD1-CB 4.17Å; I509-F520 HydrophobicContact CD1-CD1 3.57Å; I509-F520 HydrophobicContact CD1-CD2 4.11Å; I509-F520 HydrophobicContact CD1-CE1 3.95Å; I509-F520 HydrophobicContact CD1-CE2 4.43Å; I509-F520 HydrophobicContact CD1-CG 3.68Å; I509-F520 HydrophobicContact CD1-CZ 4.38Å; I509-F520 HydrophobicContact CG1-CD1 4.18Å; I509-F520 HydrophobicContact CG1-CD2 3.84Å; I509-F520 HydrophobicContact CG1-CE1 4.35Å; I509-F520 HydrophobicContact CG1-CE2 4.02Å; I509-F520 HydrophobicContact CG1-CG 3.94Å; I509-F520 HydrophobicContact CG1-CZ 4.29Å; I509-F520 HydrophobicContact CG2-CB 4Å; I509-F520 HydrophobicContact CG2-CD2 4.05Å; I509-F520 HydrophobicContact CG2-CG 4.15Å; I509-D524 HydrophobicContact CD1-CB 3.71Å; I509-V525 HydrophobicContact CG2-CG2 4.41Å; I509-V525 WeakPolarHBondContact O-CA 3.32Å; I509-G526 PolarHBondContact O-N 3.13Å; I509-K527 PolarHBondContact N-O 3.09Å; I509-K529 HydrophobicContact CG1-CB 4.43Å; I509-K529 HydrophobicContact CG1-CG 3.78Å; I509-V532 HydrophobicContact CD1-CB 3.76Å; I509-V532 HydrophobicContact CD1-CG1 3.97Å; I509-V532 HydrophobicContact CD1-CG2 3.7Å |
| 510 | E | 91.4 | Very high | 95.7 | Very high | 46 Ų | 46 | 19 Ų | 19 | 22% | 0.215 | 10% | 0.101 | C | C | . | . | trans | -110.2 | 163 | 173.8 | -62.3 | 171.4 | -173.8 | 0 | 0 | 112.3 | S512 N513 | E510-S512 VanDerWaalsContact C-N 3.27Å; E510-S512 PolarHBondContact O-N 2.58Å; E510-S512 PolarHBondContact OE2-OG 2.7Å; E510-N513 PolarHBondContact N-OD1 2.62Å; E510-N513 VanDerWaalsContact N-OD1 3.1Å; E510-N513 VanDerWaalsContact O-CB 3.23Å; E510-N513 WeakPolarHBondContact O-CB 2.9Å; E510-N513 PolarHBondContact O-N 3.03Å; E510-N513 VanDerWaalsContact O-N 3.09Å | ||
| 511 | V | 92.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 19.8 Ų | 19.8 | 24% | 0.242 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -58.2 | -40.9 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | Q32 L33 N513 L514 V525 | Q32-V511 HydrophobicContact CG-CB 4.4Å; Q32-V511 HydrophobicContact CG-CG1 4.25Å; L33-V511 HydrophobicContact CB-CG1 4.47Å; V511-N513 PolarHBondContact O-N 2.98Å; V511-L514 PolarHBondContact O-N 3.31Å; V511-V525 HydrophobicContact CG2-CG1 4.39Å; V511-V525 HydrophobicContact CG2-CG2 4.27Å |
| 512 | S | 90.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -61.2 | -18.2 | 179.5 | 79.9 | 0 | 0 | 0 | 0 | 113.4 | E510 R516 | E510-S512 VanDerWaalsContact C-N 3.27Å; E510-S512 PolarHBondContact O-N 2.58Å; E510-S512 PolarHBondContact OE2-OG 2.7Å; S512-R516 PolarHBondContact O-NH1 3.35Å |
| 513 | N | 93.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -81.4 | -33.4 | -176.3 | -65 | 175.6 | 0 | 0 | 0 | 111.8 | E510 V511 N515 R516 Q517 K529 | E510-N513 PolarHBondContact N-OD1 2.62Å; E510-N513 VanDerWaalsContact N-OD1 3.1Å; E510-N513 VanDerWaalsContact O-CB 3.23Å; E510-N513 WeakPolarHBondContact O-CB 2.9Å; E510-N513 PolarHBondContact O-N 3.03Å; E510-N513 VanDerWaalsContact O-N 3.09Å; V511-N513 PolarHBondContact O-N 2.98Å; N513-N515 PolarHBondContact O-N 2.78Å; N513-N515 VanDerWaalsContact O-N 3.1Å; N513-R516 PolarHBondContact O-N 3.16Å; N513-Q517 HydrophobicContact CB-CB 4.42Å; N513-Q517 HydrophobicContact CB-CG 4.45Å; N513-Q517 VanDerWaalsContact CB-OE1 3.27Å; N513-Q517 WeakPolarHBondContact O-CB 3.32Å; N513-Q517 PolarHBondContact O-N 2.88Å; N513-Q517 PolarHBondContact OD1-OE1 3.36Å; N513-K529 WeakPolarHBondContact OD1-CE 3.4Å |
| 514 | L | 95.7 | Very high | 95 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.1 | -170.1 | -56.4 | -179.8 | 0 | 0 | 0 | 113.5 | L33 L72 I509 V511 R516 F520 K522 V525 | L33-L514 HydrophobicContact CD1-CB 3.78Å; L72-L514 WeakPolarHBondContact CD2-O 3.31Å; I509-L514 HydrophobicContact CG2-CD2 4.18Å; V511-L514 PolarHBondContact O-N 3.31Å; L514-R516 PolarHBondContact O-N 3.22Å; L514-F520 HydrophobicContact CD2-CB 3.66Å; L514-K522 HydrophobicContact CD1-CB 4.32Å; L514-V525 HydrophobicContact CD1-CG2 4.36Å |
| 515 | N | 93.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.3 | 177.1 | 164.3 | -100.7 | 0 | 0 | 0 | 114.3 | L33 Y34 Q37 L72 N513 | L33-N515 HydrophobicContact CD1-CB 4.33Å; L33-N515 VanDerWaalsContact O-CB 3.28Å; L33-N515 WeakPolarHBondContact O-CB 3.46Å; Y34-N515 VanDerWaalsContact CD1-ND2 3.33Å; Y34-N515 WeakPolarHBondContact CD1-ND2 3.35Å; Q37-N515 PolarHBondContact OE1-ND2 3.43Å; Q37-N515 PolarHBondContact OE1-OD1 2.8Å; L72-N515 WeakPolarHBondContact CB-O 3.43Å; L72-N515 PolarHBondContact O-ND2 3.3Å; N513-N515 PolarHBondContact O-N 2.78Å; N513-N515 VanDerWaalsContact O-N 3.1Å |
| 516 | R | 95.5 | Very high | 94.7 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.3 | -11.7 | 179.7 | 67.6 | -170 | 173.1 | -65.6 | -10.5 | 115 | R36 A479 S512 N513 L514 A915 | R36-R516 VanDerWaalsContact CG-NH1 3.29Å; A479-R516 HydrophobicContact CB-CB 4.48Å; A479-R516 HydrophobicContact CB-CG 3.82Å; S512-R516 PolarHBondContact O-NH1 3.35Å; N513-R516 PolarHBondContact O-N 3.16Å; L514-R516 PolarHBondContact O-N 3.22Å; R516-A915 HydrophobicContact CB-CB 4.14Å |
| 517 | Q | 97 | Very high | 94.8 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | trans | -103.5 | 71.8 | 177.5 | -67.7 | 169.9 | 23.5 | 0 | 0 | 108.8 | A479 N513 L519 F520 | A479-Q517 HydrophobicContact CB-CG 4.21Å; N513-Q517 HydrophobicContact CB-CB 4.42Å; N513-Q517 HydrophobicContact CB-CG 4.45Å; N513-Q517 VanDerWaalsContact CB-OE1 3.27Å; N513-Q517 WeakPolarHBondContact O-CB 3.32Å; N513-Q517 PolarHBondContact O-N 2.88Å; N513-Q517 PolarHBondContact OD1-OE1 3.36Å; Q517-L519 PolarHBondContact O-N 2.9Å; Q517-F520 HydrophobicContact CB-CD2 3.46Å; Q517-F520 VanDerWaalsContact CB-CD2 3.46Å; Q517-F520 HydrophobicContact CB-CE2 3.67Å; Q517-F520 HydrophobicContact CB-CG 4.43Å; Q517-F520 HydrophobicContact CG-CD2 4.42Å; Q517-F520 HydrophobicContact CG-CE2 4.23Å; Q517-F520 PolarHBondContact O-N 3.49Å | ||
| 518 | F | 97.2 | Very high | 95 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.4 | -165.4 | 86.6 | -78.6 | 0 | 0 | 0 | 114.9 | K68 L72 Y95 L117 C482 K486 F520 R521 F540 | K68-F518 HydrophobicContact CD-CB 4.28Å; K68-F518 HydrophobicContact CD-CD1 4.11Å; K68-F518 HydrophobicContact CD-CD2 3.84Å; K68-F518 HydrophobicContact CD-CE2 4.23Å; K68-F518 HydrophobicContact CD-CG 3.79Å; K68-F518 HydrophobicContact CG-CB 4.47Å; K68-F518 HydrophobicContact CG-CD2 4.34Å; K68-F518 HydrophobicContact CG-CG 4.4Å; L72-F518 HydrophobicContact CD1-CB 3.69Å; L72-F518 HydrophobicContact CD2-CB 4.3Å; Y95-F518 HydrophobicContact CD2-CE2 4.49Å; Y95-F518 HydrophobicContact CE2-CE2 4.33Å; L117-F518 HydrophobicContact CD2-CB 3.95Å; L117-F518 HydrophobicContact CD2-CD2 4.17Å; C482-F518 HydrophobicContact CB-CD1 4.38Å; C482-F518 HydrophobicContact CB-CE1 4.39Å; K486-F518 HydrophobicContact CB-CE1 4.1Å; K486-F518 HydrophobicContact CB-CZ 3.81Å; K486-F518 HydrophobicContact CD-CE1 3.83Å; K486-F518 HydrophobicContact CD-CE2 4.23Å; K486-F518 HydrophobicContact CD-CZ 3.38Å; K486-F518 HydrophobicContact CG-CE1 4.37Å; K486-F518 HydrophobicContact CG-CZ 3.73Å; F518-F520 PolarHBondContact O-N 3.28Å; F518-R521 PolarHBondContact O-NH1 2.84Å; F518-F540 HydrophobicContact CE2-CE2 4.22Å; F518-F540 AromaticContact CE2-CZ 3.67Å; F518-F540 HydrophobicContact CE2-CZ 3.67Å; F518-F540 AromaticContact CZ-CE2 3.91Å; F518-F540 HydrophobicContact CZ-CE2 3.91Å; F518-F540 AromaticContact CZ-CZ 3.85Å; F518-F540 HydrophobicContact CZ-CZ 3.85Å |
| 519 | L | 97.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.5 | 172.3 | -61.8 | -174.3 | 0 | 0 | 0 | 112.4 | C482 L485 Q517 A533 A536 F540 | C482-L519 HydrophobicContact CB-CB 4.49Å; C482-L519 HydrophobicContact CB-CD1 3.89Å; C482-L519 HydrophobicContact CB-CG 3.84Å; L485-L519 HydrophobicContact CB-CD1 4.22Å; Q517-L519 PolarHBondContact O-N 2.9Å; L519-A533 HydrophobicContact CD1-CB 4.02Å; L519-A536 HydrophobicContact CB-CB 3.98Å; L519-A536 HydrophobicContact CD2-CB 4.13Å; L519-A536 HydrophobicContact CG-CB 4.47Å; L519-F540 HydrophobicContact CD2-CE2 3.46Å; L519-F540 VanDerWaalsContact CD2-CE2 3.46Å; L519-F540 HydrophobicContact CD2-CZ 3.56Å |
| 520 | F | 97.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | trans | -99.4 | 149.9 | -176.4 | -52.1 | -32.1 | 0 | 0 | 0 | 111.1 | A477 I509 L514 Q517 F518 K529 V532 A533 | A477-F520 WeakPolarHBondContact O-CZ 3.44Å; I509-F520 HydrophobicContact CD1-CB 4.17Å; I509-F520 HydrophobicContact CD1-CD1 3.57Å; I509-F520 HydrophobicContact CD1-CD2 4.11Å; I509-F520 HydrophobicContact CD1-CE1 3.95Å; I509-F520 HydrophobicContact CD1-CE2 4.43Å; I509-F520 HydrophobicContact CD1-CG 3.68Å; I509-F520 HydrophobicContact CD1-CZ 4.38Å; I509-F520 HydrophobicContact CG1-CD1 4.18Å; I509-F520 HydrophobicContact CG1-CD2 3.84Å; I509-F520 HydrophobicContact CG1-CE1 4.35Å; I509-F520 HydrophobicContact CG1-CE2 4.02Å; I509-F520 HydrophobicContact CG1-CG 3.94Å; I509-F520 HydrophobicContact CG1-CZ 4.29Å; I509-F520 HydrophobicContact CG2-CB 4Å; I509-F520 HydrophobicContact CG2-CD2 4.05Å; I509-F520 HydrophobicContact CG2-CG 4.15Å; L514-F520 HydrophobicContact CD2-CB 3.66Å; Q517-F520 HydrophobicContact CB-CD2 3.46Å; Q517-F520 VanDerWaalsContact CB-CD2 3.46Å; Q517-F520 HydrophobicContact CB-CE2 3.67Å; Q517-F520 HydrophobicContact CB-CG 4.43Å; Q517-F520 HydrophobicContact CG-CD2 4.42Å; Q517-F520 HydrophobicContact CG-CE2 4.23Å; Q517-F520 PolarHBondContact O-N 3.49Å; F518-F520 PolarHBondContact O-N 3.28Å; F520-K529 WeakPolarHBondContact CE1-O 3.33Å; F520-K529 HydrophobicContact CE2-CB 4.28Å; F520-K529 HydrophobicContact CE2-CD 4.42Å; F520-K529 HydrophobicContact CE2-CG 4.03Å; F520-K529 HydrophobicContact CZ-CB 3.88Å; F520-K529 HydrophobicContact CZ-CG 4.14Å; F520-V532 HydrophobicContact CD1-CB 4.11Å; F520-V532 HydrophobicContact CD1-CG1 3.66Å; F520-V532 HydrophobicContact CE1-CB 4.09Å; F520-V532 HydrophobicContact CE1-CG1 4.11Å; F520-A533 HydrophobicContact CE1-CB 3.78Å; F520-A533 HydrophobicContact CZ-CB 4.09Å | ||
| 521 | R | 95.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 39.6 Ų | 39.6 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | trans | -118.8 | 167.3 | 172.9 | -62.3 | -68.3 | 176.8 | -84.3 | -2.3 | 110.6 | E116 F518 H523 D524 | E116-R521 WeakPolarHBondContact O-CD 3.27Å; E116-R521 IonicContact OE2-NE 3.77Å; E116-R521 PolarHBondContact OE2-NE 3.08Å; E116-R521 IonicContact OE2-NH2 3.38Å; F518-R521 PolarHBondContact O-NH1 2.84Å; R521-H523 WeakPolarHBondContact CB-CE1 3Å; R521-H523 PolarHBondContact O-N 3.03Å; R521-H523 VanDerWaalsContact O-N 3.15Å; R521-D524 WeakPolarHBondContact CB-OD2 3.5Å; R521-D524 PolarHBondContact N-OD2 2.78Å; R521-D524 WeakPolarHBondContact O-CB 3.43Å; R521-D524 PolarHBondContact O-N 3Å | ||
| 522 | K | 92.7 | Very high | 95.9 | Very high | 154 Ų | 154 | 38.7 Ų | 38.7 | 67% | 0.67 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -56.6 | -32.1 | 178.2 | -168 | 172.4 | -176.4 | 173.5 | 0 | 113.2 | L514 D524 V525 | L514-K522 HydrophobicContact CD1-CB 4.32Å; K522-D524 VanDerWaalsContact C-N 3.25Å; K522-D524 PolarHBondContact O-N 2.87Å; K522-V525 WeakPolarHBondContact O-CG2 3.39Å |
| 523 | H | 95.3 | Very high | 96.3 | Very high | 138 Ų | 138 | 38.6 Ų | 38.6 | 64% | 0.639 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -79.1 | -4.5 | 177.6 | 63.7 | -102.3 | 0 | 0 | 0 | 114.1 | R521 | R521-H523 WeakPolarHBondContact CB-CE1 3Å; R521-H523 PolarHBondContact O-N 3.03Å; R521-H523 VanDerWaalsContact O-N 3.15Å |
| 524 | D | 96.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -95.2 | -7.8 | 176.3 | -59.7 | -46 | 0 | 0 | 0 | 113.5 | I509 R521 K522 G526 K527 V532 | I509-D524 HydrophobicContact CD1-CB 3.71Å; R521-D524 WeakPolarHBondContact CB-OD2 3.5Å; R521-D524 PolarHBondContact N-OD2 2.78Å; R521-D524 WeakPolarHBondContact O-CB 3.43Å; R521-D524 PolarHBondContact O-N 3Å; K522-D524 VanDerWaalsContact C-N 3.25Å; K522-D524 PolarHBondContact O-N 2.87Å; D524-G526 PolarHBondContact O-N 3.1Å; D524-K527 HydrophobicContact CB-CD 4.26Å; D524-K527 VanDerWaalsContact O-CB 3.25Å; D524-K527 WeakPolarHBondContact O-CB 3.38Å; D524-K527 WeakPolarHBondContact O-CG 3.28Å; D524-K527 PolarHBondContact O-N 3.15Å; D524-K527 IonicContact OD1-NZ 3.14Å; D524-K527 PolarHBondContact OD1-NZ 2.79Å; D524-V532 HydrophobicContact CB-CG1 4.06Å; D524-V532 HydrophobicContact CB-CG2 4.36Å |
| 525 | V | 94.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 129.8 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | I509 V511 L514 K522 | I509-V525 HydrophobicContact CG2-CG2 4.41Å; I509-V525 WeakPolarHBondContact O-CA 3.32Å; V511-V525 HydrophobicContact CG2-CG1 4.39Å; V511-V525 HydrophobicContact CG2-CG2 4.27Å; L514-V525 HydrophobicContact CD1-CG2 4.36Å; K522-V525 WeakPolarHBondContact O-CG2 3.39Å |
| 526 | G | 93.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 55% | 0.546 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -14.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | I509 D524 | I509-G526 PolarHBondContact O-N 3.13Å; D524-G526 PolarHBondContact O-N 3.1Å |
| 527 | K | 97.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 39.3 Ų | 39.3 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -79.8 | 164 | 172.9 | -57.2 | 179.1 | -168.4 | 165.1 | 0 | 111.2 | T508 I509 D524 V532 | T508-K527 CarbonylContact C-O 3.46Å; T508-K527 WeakPolarHBondContact CA-O 3.43Å; T508-K527 WeakPolarHBondContact CB-O 3.3Å; I509-K527 PolarHBondContact N-O 3.09Å; D524-K527 HydrophobicContact CB-CD 4.26Å; D524-K527 VanDerWaalsContact O-CB 3.25Å; D524-K527 WeakPolarHBondContact O-CB 3.38Å; D524-K527 WeakPolarHBondContact O-CG 3.28Å; D524-K527 PolarHBondContact O-N 3.15Å; D524-K527 IonicContact OD1-NZ 3.14Å; D524-K527 PolarHBondContact OD1-NZ 2.79Å; K527-V532 HydrophobicContact CB-CG2 3.73Å; K527-V532 HydrophobicContact CD-CG2 3.89Å; K527-V532 HydrophobicContact CG-CG2 4.5Å |
| 528 | K | 97.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 34% | 0.335 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -69.1 | 133 | 176.1 | -70.1 | -64.9 | -170.3 | -178.6 | 0 | 111.6 | M506 T508 D531 V532 C550 | M506-K528 PolarHBondContact O-NZ 3.49Å; T508-K528 HydrophobicContact CG2-CD 4.14Å; K528-D531 HydrophobicContact CB-CB 4.3Å; K528-V532 WeakPolarHBondContact O-CG2 3.23Å; K528-V532 PolarHBondContact O-N 3.4Å; K528-C550 HydrophobicContact CD-CB 4.48Å |
| 529 | K | 98.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -49.1 | -177.2 | -71.4 | -176.2 | -172.7 | 156.6 | 0 | 112.1 | A477 D505 D507 T508 I509 N513 F520 D531 V532 A533 | A477-K529 HydrophobicContact CB-CB 3.96Å; D505-K529 HydrophobicContact CB-CB 4.26Å; D507-K529 HydrophobicContact CB-CD 3.82Å; D507-K529 HydrophobicContact CB-CG 4.36Å; D507-K529 VanDerWaalsContact CB-NZ 3.26Å; D507-K529 PolarHBondContact O-N 3.37Å; D507-K529 VanDerWaalsContact O-N 3.09Å; D507-K529 IonicContact OD2-NZ 2.93Å; D507-K529 PolarHBondContact OD2-NZ 3.04Å; T508-K529 VanDerWaalsContact O-CE 3.23Å; T508-K529 WeakPolarHBondContact O-CE 3.29Å; I509-K529 HydrophobicContact CG1-CB 4.43Å; I509-K529 HydrophobicContact CG1-CG 3.78Å; N513-K529 WeakPolarHBondContact OD1-CE 3.4Å; F520-K529 WeakPolarHBondContact CE1-O 3.33Å; F520-K529 HydrophobicContact CE2-CB 4.28Å; F520-K529 HydrophobicContact CE2-CD 4.42Å; F520-K529 HydrophobicContact CE2-CG 4.03Å; F520-K529 HydrophobicContact CZ-CB 3.88Å; F520-K529 HydrophobicContact CZ-CG 4.14Å; K529-D531 PolarHBondContact O-N 3.39Å; K529-V532 PolarHBondContact O-N 2.99Å; K529-A533 WeakPolarHBondContact O-CB 3.23Å; K529-A533 PolarHBondContact O-N 2.87Å |
| 530 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | -176.4 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | A533 V534 M549 C550 | S530-A533 PolarHBondContact O-N 3.46Å; S530-V534 WeakPolarHBondContact O-CB 3.5Å; S530-V534 WeakPolarHBondContact O-CG2 3.42Å; S530-V534 PolarHBondContact O-N 3.01Å; S530-M549 WeakPolarHBondContact CB-O 3.35Å; S530-M549 PolarHBondContact OG-O 2.87Å; S530-C550 PolarHBondContact OG-SG 2.78Å |
| 531 | D | 98.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -49 | 178.3 | -75.3 | -22.4 | 0 | 0 | 0 | 112.1 | K528 K529 V534 G535 S548 | K528-D531 HydrophobicContact CB-CB 4.3Å; K529-D531 PolarHBondContact O-N 3.39Å; D531-V534 PolarHBondContact O-N 3.5Å; D531-G535 PolarHBondContact O-N 2.86Å; D531-S548 WeakPolarHBondContact OD1-CB 3.19Å; D531-S548 PolarHBondContact OD1-OG 2.96Å |
| 532 | V | 98.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | I509 F520 D524 K527 K528 K529 V534 G535 A536 | I509-V532 HydrophobicContact CD1-CB 3.76Å; I509-V532 HydrophobicContact CD1-CG1 3.97Å; I509-V532 HydrophobicContact CD1-CG2 3.7Å; F520-V532 HydrophobicContact CD1-CB 4.11Å; F520-V532 HydrophobicContact CD1-CG1 3.66Å; F520-V532 HydrophobicContact CE1-CB 4.09Å; F520-V532 HydrophobicContact CE1-CG1 4.11Å; D524-V532 HydrophobicContact CB-CG1 4.06Å; D524-V532 HydrophobicContact CB-CG2 4.36Å; K527-V532 HydrophobicContact CB-CG2 3.73Å; K527-V532 HydrophobicContact CD-CG2 3.89Å; K527-V532 HydrophobicContact CG-CG2 4.5Å; K528-V532 WeakPolarHBondContact O-CG2 3.23Å; K528-V532 PolarHBondContact O-N 3.4Å; K529-V532 PolarHBondContact O-N 2.99Å; V532-V534 PolarHBondContact O-N 3.02Å; V532-G535 PolarHBondContact O-N 3.19Å; V532-A536 PolarHBondContact O-N 3.44Å |
| 533 | A | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A477 L485 L519 F520 K529 S530 A536 A537 | A477-A533 HydrophobicContact CB-CB 4.25Å; L485-A533 HydrophobicContact CD1-CB 3.92Å; L519-A533 HydrophobicContact CD1-CB 4.02Å; F520-A533 HydrophobicContact CE1-CB 3.78Å; F520-A533 HydrophobicContact CZ-CB 4.09Å; K529-A533 WeakPolarHBondContact O-CB 3.23Å; K529-A533 PolarHBondContact O-N 2.87Å; S530-A533 PolarHBondContact O-N 3.46Å; A533-A536 PolarHBondContact O-N 2.86Å; A533-A537 VanDerWaalsContact O-CB 3.29Å; A533-A537 WeakPolarHBondContact O-CB 3.5Å; A533-A537 PolarHBondContact O-N 3.41Å |
| 534 | V | 97.6 | Very high | 96 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 175.1 | 162.5 | 0 | 0 | 0 | 0 | 111.3 | V503 S530 D531 V532 K538 L546 | V503-V534 HydrophobicContact CB-CG2 3.92Å; V503-V534 HydrophobicContact CG2-CG2 3.85Å; S530-V534 WeakPolarHBondContact O-CB 3.5Å; S530-V534 WeakPolarHBondContact O-CG2 3.42Å; S530-V534 PolarHBondContact O-N 3.01Å; D531-V534 PolarHBondContact O-N 3.5Å; V532-V534 PolarHBondContact O-N 3.02Å; V534-K538 PolarHBondContact O-N 3.47Å; V534-L546 HydrophobicContact CG1-CB 3.59Å; V534-L546 HydrophobicContact CG1-CD1 4.1Å; V534-L546 HydrophobicContact CG1-CG 4.5Å; V534-L546 HydrophobicContact CG2-CB 4.32Å |
| 535 | G | 96.7 | Very high | 96 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.1 | -54.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D531 V532 A537 K538 | D531-G535 PolarHBondContact O-N 2.86Å; V532-G535 PolarHBondContact O-N 3.19Å; G535-A537 PolarHBondContact O-N 3.14Å; G535-K538 WeakPolarHBondContact O-CB 3.44Å; G535-K538 PolarHBondContact O-N 3.07Å |
| 536 | A | 95.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L519 V532 A533 K538 E539 | L519-A536 HydrophobicContact CB-CB 3.98Å; L519-A536 HydrophobicContact CD2-CB 4.13Å; L519-A536 HydrophobicContact CG-CB 4.47Å; V532-A536 PolarHBondContact O-N 3.44Å; A533-A536 PolarHBondContact O-N 2.86Å; A536-K538 VanDerWaalsContact C-N 3.25Å; A536-K538 PolarHBondContact O-N 3.5Å; A536-E539 WeakPolarHBondContact O-CB 3.39Å; A536-E539 PolarHBondContact O-N 2.93Å |
| 537 | A | 95 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -27.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L485 S489 A533 G535 E539 F540 N541 L546 | L485-A537 HydrophobicContact CB-CB 4.31Å; L485-A537 HydrophobicContact CD2-CB 3.45Å; L485-A537 VanDerWaalsContact CD2-CB 3.45Å; L485-A537 HydrophobicContact CG-CB 4.44Å; S489-A537 PolarHBondContact OG-O 3.3Å; A533-A537 VanDerWaalsContact O-CB 3.29Å; A533-A537 WeakPolarHBondContact O-CB 3.5Å; A533-A537 PolarHBondContact O-N 3.41Å; G535-A537 PolarHBondContact O-N 3.14Å; A537-E539 VanDerWaalsContact C-N 3.32Å; A537-F540 PolarHBondContact O-N 2.74Å; A537-N541 PolarHBondContact O-N 2.88Å; A537-L546 HydrophobicContact CB-CD1 3.67Å |
| 538 | K | 94.9 | Very high | 96.4 | Very high | 93 Ų | 93 | 43.5 Ų | 43.5 | 40% | 0.404 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.3 | -27 | 172.6 | -73.7 | -175 | 179.8 | 179.7 | 0 | 112.9 | V534 G535 A536 F540 N541 P542 L546 | V534-K538 PolarHBondContact O-N 3.47Å; G535-K538 WeakPolarHBondContact O-CB 3.44Å; G535-K538 PolarHBondContact O-N 3.07Å; A536-K538 VanDerWaalsContact C-N 3.25Å; A536-K538 PolarHBondContact O-N 3.5Å; K538-F540 VanDerWaalsContact C-N 3.31Å; K538-N541 CarbonylContact O-C 3.59Å; K538-N541 PolarHBondContact O-N 3.13Å; K538-P542 WeakPolarHBondContact O-CA 3.33Å; K538-P542 VanDerWaalsContact O-N 3.12Å; K538-L546 HydrophobicContact CG-CD1 3.94Å; K538-L546 HydrophobicContact CG-CG 4.48Å |
| 539 | E | 93.1 | Very high | 96.4 | Very high | 150 Ų | 150 | 40.7 Ų | 40.7 | 70% | 0.701 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.5 | -37.1 | 174.8 | -58.9 | -173 | 164.5 | 0 | 0 | 111 | A536 A537 | A536-E539 WeakPolarHBondContact O-CB 3.39Å; A536-E539 PolarHBondContact O-N 2.93Å; A537-E539 VanDerWaalsContact C-N 3.32Å |
| 540 | F | 92.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 173.1 | -61.2 | -22 | 0 | 0 | 0 | 111.6 | Y95 Y96 R451 K486 M490 F518 L519 A537 K538 | Y95-F540 HydrophobicContact CD2-CE1 4.5Å; Y95-F540 HydrophobicContact CD2-CZ 4.49Å; Y95-F540 WeakPolarHBondContact O-CD1 3.48Å; Y96-F540 HydrophobicContact CD1-CE1 4.19Å; Y96-F540 HydrophobicContact CE1-CE1 4.03Å; R451-F540 PolarHBondContact NH1-O 2.72Å; R451-F540 PolarHBondContact NH2-O 3.43Å; K486-F540 HydrophobicContact CB-CE2 4.06Å; K486-F540 HydrophobicContact CG-CD2 4.32Å; K486-F540 HydrophobicContact CG-CE2 3.91Å; M490-F540 HydrophobicContact CE-CB 3.61Å; M490-F540 HydrophobicContact CE-CG 4.32Å; F518-F540 HydrophobicContact CE2-CE2 4.22Å; F518-F540 AromaticContact CE2-CZ 3.67Å; F518-F540 HydrophobicContact CE2-CZ 3.67Å; F518-F540 AromaticContact CZ-CE2 3.91Å; F518-F540 HydrophobicContact CZ-CE2 3.91Å; F518-F540 AromaticContact CZ-CZ 3.85Å; F518-F540 HydrophobicContact CZ-CZ 3.85Å; L519-F540 HydrophobicContact CD2-CE2 3.46Å; L519-F540 VanDerWaalsContact CD2-CE2 3.46Å; L519-F540 HydrophobicContact CD2-CZ 3.56Å; A537-F540 PolarHBondContact O-N 2.74Å; K538-F540 VanDerWaalsContact C-N 3.31Å |
| 541 | N | 94.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -142.5 | 99.9 | -179.3 | -171.4 | -5.6 | 0 | 0 | 0 | 112.6 | R451 Y452 S489 A537 K538 S543 L544 | R451-N541 VanDerWaalsContact NH1-CA 3.33Å; R451-N541 PolarHBondContact NH1-OD1 2.7Å; Y452-N541 PolarHBondContact OH-ND2 3.33Å; S489-N541 PolarHBondContact O-ND2 3.11Å; A537-N541 PolarHBondContact O-N 2.88Å; K538-N541 CarbonylContact O-C 3.59Å; K538-N541 PolarHBondContact O-N 3.13Å; N541-S543 PolarHBondContact O-N 3.02Å; N541-S543 WeakPolarHBondContact OD1-CB 3.44Å; N541-S543 PolarHBondContact OD1-N 2.68Å; N541-S543 VanDerWaalsContact OD1-N 3.14Å; N541-L544 HydrophobicContact CB-CD1 3.8Å; N541-L544 HydrophobicContact CB-CG 3.98Å; N541-L544 WeakPolarHBondContact O-CD1 3.3Å; N541-L544 WeakPolarHBondContact O-CG 3.4Å; N541-L544 PolarHBondContact O-N 3.23Å | ||
| 542 | P | 94.6 | Very high | 96.1 | Very high | 99 Ų | 99 | 46.7 Ų | 46.7 | 64% | 0.643 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17 | -178.8 | -25.7 | 34.9 | 0 | 0 | 0 | 114.6 | K538 L544 | K538-P542 WeakPolarHBondContact O-CA 3.33Å; K538-P542 VanDerWaalsContact O-N 3.12Å; P542-L544 VanDerWaalsContact C-N 3.28Å; P542-L544 PolarHBondContact O-N 2.9Å |
| 543 | S | 94.8 | Very high | 96 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 43% | 0.427 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -8.7 | -178.3 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | S495 N541 | S495-S543 WeakPolarHBondContact CA-O 3.34Å; N541-S543 PolarHBondContact O-N 3.02Å; N541-S543 WeakPolarHBondContact OD1-CB 3.44Å; N541-S543 PolarHBondContact OD1-N 2.68Å; N541-S543 VanDerWaalsContact OD1-N 3.14Å |
| 544 | L | 95.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | trans | -73.1 | 132.3 | -177.1 | -67.2 | 163.2 | 0 | 0 | 0 | 112.6 | S489 V493 N541 P542 L546 | S489-L544 WeakPolarHBondContact OG-CD1 3.35Å; V493-L544 WeakPolarHBondContact O-CD2 3.24Å; N541-L544 HydrophobicContact CB-CD1 3.8Å; N541-L544 HydrophobicContact CB-CG 3.98Å; N541-L544 WeakPolarHBondContact O-CD1 3.3Å; N541-L544 WeakPolarHBondContact O-CG 3.4Å; N541-L544 PolarHBondContact O-N 3.23Å; P542-L544 VanDerWaalsContact C-N 3.28Å; P542-L544 PolarHBondContact O-N 2.9Å; L544-L546 HydrophobicContact CB-CD1 4.32Å; L544-L546 HydrophobicContact CB-CD2 3.89Å; L544-L546 HydrophobicContact CB-CG 3.78Å; L544-L546 HydrophobicContact CD1-CD1 4.26Å; L544-L546 HydrophobicContact CD1-CD2 4.34Å; L544-L546 HydrophobicContact CD1-CG 4.47Å; L544-L546 PolarHBondContact O-N 2.83Å | ||
| 545 | N | 97.6 | Very high | 95.4 | Very high | 64 Ų | 64 | 49 Ų | 49 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | trans | -86.9 | 89.9 | 167.8 | -67 | -33.5 | 0 | 0 | 0 | 110.1 | A494 S496 G499 C500 L501 | A494-N545 PolarHBondContact O-N 3.47Å; A494-N545 VanDerWaalsContact O-N 3.08Å; S496-N545 PolarHBondContact O-ND2 2.89Å; G499-N545 VanDerWaalsContact O-CB 3.29Å; G499-N545 WeakPolarHBondContact O-CB 3.41Å; G499-N545 PolarHBondContact O-ND2 3.08Å; C500-N545 CarbonylContact C-O 3.56Å; C500-N545 WeakPolarHBondContact CA-O 3.45Å; L501-N545 PolarHBondContact N-O 3.26Å | ||
| 546 | L | 97.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.6 | 179 | -53.3 | -177 | 0 | 0 | 0 | 111.7 | L485 L501 V534 A537 K538 L544 | L485-L546 HydrophobicContact CD2-CD1 4.11Å; L485-L546 HydrophobicContact CD2-CD2 4.4Å; L501-L546 HydrophobicContact CB-CD2 3.55Å; L501-L546 HydrophobicContact CD1-CD2 3.69Å; L501-L546 HydrophobicContact CG-CD2 4.18Å; L501-L546 CarbonylContact O-C 3.54Å; L501-L546 WeakPolarHBondContact O-CA 3.47Å; V534-L546 HydrophobicContact CG1-CB 3.59Å; V534-L546 HydrophobicContact CG1-CD1 4.1Å; V534-L546 HydrophobicContact CG1-CG 4.5Å; V534-L546 HydrophobicContact CG2-CB 4.32Å; A537-L546 HydrophobicContact CB-CD1 3.67Å; K538-L546 HydrophobicContact CG-CD1 3.94Å; K538-L546 HydrophobicContact CG-CG 4.48Å; L544-L546 HydrophobicContact CB-CD1 4.32Å; L544-L546 HydrophobicContact CB-CD2 3.89Å; L544-L546 HydrophobicContact CB-CG 3.78Å; L544-L546 HydrophobicContact CD1-CD1 4.26Å; L544-L546 HydrophobicContact CD1-CD2 4.34Å; L544-L546 HydrophobicContact CD1-CG 4.47Å; L544-L546 PolarHBondContact O-N 2.83Å |
| 547 | K | 97.7 | Very high | 95 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.2 | 169.7 | -171.2 | 177.4 | 179.1 | -173.2 | 0 | 109.6 | L501 F502 V503 | L501-K547 PolarHBondContact O-N 3.32Å; F502-K547 WeakPolarHBondContact CA-O 3.24Å; F502-K547 HydrophobicContact CD1-CB 4Å; F502-K547 HydrophobicContact CD1-CD 3.87Å; F502-K547 HydrophobicContact CD1-CG 4.34Å; F502-K547 HydrophobicContact CE1-CB 4.34Å; F502-K547 HydrophobicContact CE1-CD 3.72Å; V503-K547 PolarHBondContact N-O 3Å |
| 548 | S | 97.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 146.4 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | V503 D531 | V503-S548 CarbonylContact O-C 3Å; V503-S548 WeakPolarHBondContact O-CA 3.27Å; D531-S548 WeakPolarHBondContact OD1-CB 3.19Å; D531-S548 PolarHBondContact OD1-OG 2.96Å |
| 549 | M | 97.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149 | 176.2 | -66.1 | -174.2 | 73.4 | 0 | 0 | 107.2 | F502 V503 T504 D505 S530 E551 I560 F561 F565 | F502-M549 HydrophobicContact CD1-SD 4.3Å; V503-M549 PolarHBondContact O-N 3.31Å; T504-M549 WeakPolarHBondContact CA-O 3.43Å; T504-M549 WeakPolarHBondContact OG1-CB 3.29Å; T504-M549 PolarHBondContact OG1-O 3Å; D505-M549 PolarHBondContact N-O 3.31Å; S530-M549 WeakPolarHBondContact CB-O 3.35Å; S530-M549 PolarHBondContact OG-O 2.87Å; M549-E551 WeakPolarHBondContact CB-OE2 3.35Å; M549-I560 HydrophobicContact CE-CG2 3.52Å; M549-F561 HydrophobicContact CE-CD1 3.99Å; M549-F561 HydrophobicContact CE-CE1 3.29Å; M549-F561 HydrophobicContact CE-CZ 3.84Å; M549-F561 HydrophobicContact SD-CE1 3.78Å; M549-F565 HydrophobicContact SD-CE2 4.2Å |
| 550 | C | 96.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | trans | -121.6 | 12.6 | -173 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | D505 M506 K528 S530 | D505-C550 WeakPolarHBondContact O-CA 3.49Å; M506-C550 WeakPolarHBondContact CA-O 3.47Å; K528-C550 HydrophobicContact CD-CB 4.48Å; S530-C550 PolarHBondContact OG-SG 2.78Å | ||
| 551 | E | 96.7 | Very high | 94.6 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | trans | -93.3 | 138.5 | -172.7 | -63.4 | 71.6 | -157.2 | 0 | 0 | 110.6 | T504 M549 T557 I560 F561 | T504-E551 PolarHBondContact OG1-N 2.75Å; T504-E551 PolarHBondContact OG1-O 2.86Å; M549-E551 WeakPolarHBondContact CB-OE2 3.35Å; E551-T557 HydrophobicContact CB-CG2 4.36Å; E551-I560 HydrophobicContact CG-CD1 3.65Å; E551-I560 HydrophobicContact CG-CG2 4.47Å; E551-F561 HydrophobicContact CB-CE2 3.79Å; E551-F561 HydrophobicContact CB-CZ 3.91Å | ||
| 552 | R | 96 | Very high | 94.5 | Very high | 119 Ų | 119 | 57.1 Ų | 57.1 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | trans | -63.9 | 135.3 | 169.2 | 180 | 169.9 | -178.7 | 179.7 | -1.6 | 108.9 | M506 C554 T557 E580 | M506-R552 HydrophobicContact CB-CB 4.19Å; M506-R552 HydrophobicContact CE-CG 4.35Å; M506-R552 HydrophobicContact CG-CB 4.33Å; M506-R552 HydrophobicContact SD-CB 3.49Å; M506-R552 WeakPolarHBondContact SD-CB 3.43Å; M506-R552 HydrophobicContact SD-CG 3.46Å; M506-R552 WeakPolarHBondContact SD-CG 3.44Å; R552-C554 HydrophobicContact CG-CB 4.31Å; R552-C554 PolarHBondContact O-N 2.76Å; R552-T557 WeakPolarHBondContact O-CB 3.45Å; R552-T557 WeakPolarHBondContact O-CG2 3.3Å; R552-T557 PolarHBondContact O-OG1 3.44Å; R552-E580 IonicContact NH2-OE2 2.85Å | ||
| 553 | V | 95.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | trans | -79.9 | 108.9 | 170 | -73.1 | 0 | 0 | 0 | 0 | 110.1 | F473 V475 T504 F561 Y584 M585 | F473-V553 HydrophobicContact CE1-CG1 4.16Å; F473-V553 HydrophobicContact CZ-CG1 3.98Å; V475-V553 HydrophobicContact CG1-CB 4.19Å; V475-V553 HydrophobicContact CG1-CG1 3.73Å; V475-V553 HydrophobicContact CG1-CG2 3.4Å; T504-V553 HydrophobicContact CG2-CG1 3.78Å; V553-F561 HydrophobicContact CG1-CD2 4.37Å; V553-F561 HydrophobicContact CG1-CE2 4Å; V553-F561 HydrophobicContact CG1-CZ 4.29Å; V553-Y584 HydrophobicContact CB-CD1 4.16Å; V553-Y584 HydrophobicContact CB-CE1 4.01Å; V553-M585 HydrophobicContact CB-SD 4Å; V553-M585 HydrophobicContact CG1-SD 4.02Å; V553-M585 HydrophobicContact CG2-CG 4.31Å; V553-M585 HydrophobicContact CG2-SD 4.26Å | ||
| 554 | C | 94 | Very high | 94.2 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -163.7 | 177.1 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | R552 E556 T557 Y584 | R552-C554 HydrophobicContact CG-CB 4.31Å; R552-C554 PolarHBondContact O-N 2.76Å; C554-E556 VanDerWaalsContact CB-OE2 3.27Å; C554-E556 WeakPolarHBondContact CB-OE2 3.39Å; C554-E556 PolarHBondContact O-N 2.81Å; C554-E556 PolarHBondContact SG-OE2 2.76Å; C554-T557 PolarHBondContact N-OG1 2.9Å; C554-T557 PolarHBondContact O-N 3.1Å; C554-T557 PolarHBondContact O-OG1 2.73Å; C554-T557 VanDerWaalsContact O-OG1 3.14Å; C554-Y584 PolarHBondContact O-OH 3.49Å; C554-Y584 VanDerWaalsContact O-OH 3.12Å |
| 555 | G | 89.9 | Confident | 94.2 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -60.8 | -27 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T557 | G555-T557 VanDerWaalsContact C-N 3.3Å; G555-T557 PolarHBondContact O-N 3.23Å |
| 556 | E | 89.9 | Confident | 94.2 | Very high | 155 Ų | 155 | 54.3 Ų | 54.3 | 72% | 0.724 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -74.3 | -15 | 179.7 | -60.8 | 81.5 | -178 | 0 | 0 | 114.1 | C554 N559 | C554-E556 VanDerWaalsContact CB-OE2 3.27Å; C554-E556 WeakPolarHBondContact CB-OE2 3.39Å; C554-E556 PolarHBondContact O-N 2.81Å; C554-E556 PolarHBondContact SG-OE2 2.76Å; E556-N559 PolarHBondContact O-OD1 2.92Å |
| 557 | T | 93.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -112 | 12.8 | -176.7 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | E551 R552 C554 G555 N559 I560 F561 | E551-T557 HydrophobicContact CB-CG2 4.36Å; R552-T557 WeakPolarHBondContact O-CB 3.45Å; R552-T557 WeakPolarHBondContact O-CG2 3.3Å; R552-T557 PolarHBondContact O-OG1 3.44Å; C554-T557 PolarHBondContact N-OG1 2.9Å; C554-T557 PolarHBondContact O-N 3.1Å; C554-T557 PolarHBondContact O-OG1 2.73Å; C554-T557 VanDerWaalsContact O-OG1 3.14Å; G555-T557 VanDerWaalsContact C-N 3.3Å; G555-T557 PolarHBondContact O-N 3.23Å; T557-N559 PolarHBondContact O-N 2.78Å; T557-I560 PolarHBondContact O-N 3.33Å; T557-F561 PolarHBondContact O-N 2.95Å |
| 558 | E | 91.5 | Very high | 94 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.5 | 177.4 | -68.6 | -166.5 | 177.7 | 0 | 0 | 113.6 | I560 F561 D562 Y584 R588 | E558-I560 PolarHBondContact O-N 2.83Å; E558-F561 CarbonylContact O-C 3.45Å; E558-D562 VanDerWaalsContact O-CA 3.26Å; E558-D562 WeakPolarHBondContact O-CA 3.38Å; E558-D562 PolarHBondContact O-N 3.45Å; E558-Y584 VanDerWaalsContact CG-OH 3.28Å; E558-Y584 WeakPolarHBondContact CG-OH 3.35Å; E558-Y584 PolarHBondContact OE1-OH 2.97Å; E558-R588 IonicContact OE1-CZ 3Å; E558-R588 IonicContact OE1-NH1 2.65Å; E558-R588 PolarHBondContact OE1-NH1 2.86Å; E558-R588 IonicContact OE2-CZ 3.88Å; E558-R588 IonicContact OE2-NH1 3.15Å; E558-R588 PolarHBondContact OE2-NH1 2.87Å |
| 559 | N | 89.3 | Confident | 94 | Very high | 120 Ų | 120 | 53 Ų | 53 | 64% | 0.642 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.3 | 170.4 | 68 | -52 | 0 | 0 | 0 | 113.4 | E556 T557 | E556-N559 PolarHBondContact O-OD1 2.92Å; T557-N559 PolarHBondContact O-N 2.78Å |
| 560 | I | 92.8 | Very high | 94.1 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 35% | 0.349 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -43.5 | 176.4 | -61.8 | 173 | 0 | 0 | 0 | 109.5 | M549 E551 T557 E558 D562 | M549-I560 HydrophobicContact CE-CG2 3.52Å; E551-I560 HydrophobicContact CG-CD1 3.65Å; E551-I560 HydrophobicContact CG-CG2 4.47Å; T557-I560 PolarHBondContact O-N 3.33Å; E558-I560 PolarHBondContact O-N 2.83Å; I560-D562 VanDerWaalsContact C-N 3.32Å; I560-D562 PolarHBondContact O-N 2.82Å |
| 561 | F | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -96.6 | 61 | 174.5 | -53 | -67.4 | 0 | 0 | 0 | 110.4 | F473 T504 M549 E551 V553 T557 E558 F565 F566 R588 | F473-F561 HydrophobicContact CE1-CD1 4.27Å; F473-F561 HydrophobicContact CE1-CE1 4.29Å; F473-F561 HydrophobicContact CE2-CE1 4.05Å; F473-F561 AromaticContact CZ-CD1 3.9Å; F473-F561 HydrophobicContact CZ-CD1 3.9Å; F473-F561 AromaticContact CZ-CE1 3.48Å; F473-F561 HydrophobicContact CZ-CE1 3.48Å; F473-F561 VanDerWaalsContact CZ-CE1 3.48Å; F473-F561 HydrophobicContact CZ-CZ 4.03Å; T504-F561 HydrophobicContact CG2-CZ 4.14Å; M549-F561 HydrophobicContact CE-CD1 3.99Å; M549-F561 HydrophobicContact CE-CE1 3.29Å; M549-F561 HydrophobicContact CE-CZ 3.84Å; M549-F561 HydrophobicContact SD-CE1 3.78Å; E551-F561 HydrophobicContact CB-CE2 3.79Å; E551-F561 HydrophobicContact CB-CZ 3.91Å; V553-F561 HydrophobicContact CG1-CD2 4.37Å; V553-F561 HydrophobicContact CG1-CE2 4Å; V553-F561 HydrophobicContact CG1-CZ 4.29Å; T557-F561 PolarHBondContact O-N 2.95Å; E558-F561 CarbonylContact O-C 3.45Å; F561-F565 HydrophobicContact CB-CD1 4.26Å; F561-F565 HydrophobicContact CD1-CD1 4.01Å; F561-F565 AromaticContact CD1-CE1 3.75Å; F561-F565 HydrophobicContact CD1-CE1 3.75Å; F561-F565 HydrophobicContact CD1-CZ 4.05Å; F561-F565 HydrophobicContact CE1-CE1 4.49Å; F561-F565 HydrophobicContact CE1-CZ 4.4Å; F561-F566 HydrophobicContact CB-CD2 4.48Å; F561-F566 HydrophobicContact CB-CE2 3.76Å; F561-F566 WeakPolarHBondContact O-CD2 3.46Å; F561-F566 WeakPolarHBondContact O-CE2 3.28Å; F561-R588 PolarHBondContact O-NH2 2.82Å |
| 562 | D | 92 | Very high | 94.3 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | trans | -80.3 | -174.7 | -173.9 | 70.5 | 0.9 | 0 | 0 | 0 | 113.2 | E558 I560 E564 F565 F566 | E558-D562 VanDerWaalsContact O-CA 3.26Å; E558-D562 WeakPolarHBondContact O-CA 3.38Å; E558-D562 PolarHBondContact O-N 3.45Å; I560-D562 VanDerWaalsContact C-N 3.32Å; I560-D562 PolarHBondContact O-N 2.82Å; D562-E564 VanDerWaalsContact C-N 3.34Å; D562-E564 PolarHBondContact O-N 2.81Å; D562-E564 PolarHBondContact OD1-N 2.9Å; D562-F565 PolarHBondContact O-N 2.83Å; D562-F565 WeakPolarHBondContact OD1-CB 3.36Å; D562-F565 PolarHBondContact OD1-N 3.34Å; D562-F566 WeakPolarHBondContact O-CD2 3.47Å; D562-F566 PolarHBondContact O-N 2.81Å | ||
| 563 | D | 90.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 178.4 | -69.9 | -37.3 | 0 | 0 | 0 | 112 | F565 F566 E567 Y592 K1049 | D563-F565 VanDerWaalsContact C-N 3.35Å; D563-F565 PolarHBondContact O-N 3.31Å; D563-F566 PolarHBondContact O-N 3.33Å; D563-E567 WeakPolarHBondContact O-CB 3.43Å; D563-E567 WeakPolarHBondContact O-CG 3.25Å; D563-E567 PolarHBondContact O-N 2.98Å; D563-Y592 HydrophobicContact CB-CE1 4.34Å; D563-Y592 VanDerWaalsContact OD1-CE1 3.31Å; D563-Y592 WeakPolarHBondContact OD1-CE1 3.34Å; D563-Y592 VanDerWaalsContact OD1-CZ 3.3Å; D563-Y592 PolarHBondContact OD1-OH 3.47Å; D563-K1049 HydrophobicContact CB-CB 4.47Å; D563-K1049 HydrophobicContact CB-CD 3.78Å; D563-K1049 HydrophobicContact CB-CG 4.03Å; D563-K1049 WeakPolarHBondContact OD2-CB 3.34Å; D563-K1049 WeakPolarHBondContact OD2-CG 3.44Å; D563-K1049 PolarHBondContact OD2-N 3.44Å |
| 564 | E | 92.5 | Very high | 94.6 | Very high | 137 Ų | 137 | 44.6 Ų | 44.6 | 64% | 0.64 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.3 | -41.1 | -179.7 | -175.3 | 179.6 | 166.8 | 0 | 0 | 111.6 | D562 S568 | D562-E564 VanDerWaalsContact C-N 3.34Å; D562-E564 PolarHBondContact O-N 2.81Å; D562-E564 PolarHBondContact OD1-N 2.9Å; E564-S568 WeakPolarHBondContact O-CB 3.27Å; E564-S568 PolarHBondContact O-N 3.24Å |
| 565 | F | 95.9 | Very high | 94.8 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.3 | -57.4 | 176.4 | 176.1 | -98 | 0 | 0 | 0 | 111.2 | F473 F502 M549 F561 D562 D563 S568 L569 | F473-F565 HydrophobicContact CB-CZ 4.37Å; F473-F565 AromaticContact CD1-CE1 3.75Å; F473-F565 HydrophobicContact CD1-CE1 3.75Å; F473-F565 HydrophobicContact CD1-CZ 4.06Å; F473-F565 HydrophobicContact CD2-CE1 4.43Å; F473-F565 AromaticContact CD2-CZ 3.91Å; F473-F565 HydrophobicContact CD2-CZ 3.91Å; F473-F565 AromaticContact CE1-CE1 3.87Å; F473-F565 HydrophobicContact CE1-CE1 3.87Å; F473-F565 HydrophobicContact CE1-CZ 4.23Å; F473-F565 HydrophobicContact CE2-CZ 4.08Å; F473-F565 HydrophobicContact CG-CE1 4.04Å; F473-F565 AromaticContact CG-CZ 3.88Å; F473-F565 HydrophobicContact CG-CZ 3.88Å; F473-F565 HydrophobicContact CZ-CE1 4.25Å; F473-F565 HydrophobicContact CZ-CZ 4.22Å; F502-F565 HydrophobicContact CB-CE2 4.24Å; F502-F565 HydrophobicContact CB-CZ 4.14Å; F502-F565 AromaticContact CD1-CE2 3.67Å; F502-F565 HydrophobicContact CD1-CE2 3.67Å; F502-F565 HydrophobicContact CD1-CZ 4.4Å; F502-F565 HydrophobicContact CD2-CE2 4.19Å; F502-F565 HydrophobicContact CD2-CZ 4.48Å; F502-F565 AromaticContact CE1-CE2 3.99Å; F502-F565 HydrophobicContact CE1-CE2 3.99Å; F502-F565 HydrophobicContact CE2-CE2 4.49Å; F502-F565 AromaticContact CG-CE2 3.77Å; F502-F565 HydrophobicContact CG-CE2 3.77Å; F502-F565 HydrophobicContact CG-CZ 4.1Å; F502-F565 HydrophobicContact CZ-CE2 4.39Å; M549-F565 HydrophobicContact SD-CE2 4.2Å; F561-F565 HydrophobicContact CB-CD1 4.26Å; F561-F565 HydrophobicContact CD1-CD1 4.01Å; F561-F565 AromaticContact CD1-CE1 3.75Å; F561-F565 HydrophobicContact CD1-CE1 3.75Å; F561-F565 HydrophobicContact CD1-CZ 4.05Å; F561-F565 HydrophobicContact CE1-CE1 4.49Å; F561-F565 HydrophobicContact CE1-CZ 4.4Å; D562-F565 PolarHBondContact O-N 2.83Å; D562-F565 WeakPolarHBondContact OD1-CB 3.36Å; D562-F565 PolarHBondContact OD1-N 3.34Å; D563-F565 VanDerWaalsContact C-N 3.35Å; D563-F565 PolarHBondContact O-N 3.31Å; F565-S568 WeakPolarHBondContact O-CB 3.5Å; F565-S568 PolarHBondContact O-N 2.82Å; F565-S568 PolarHBondContact O-OG 3.49Å; F565-L569 HydrophobicContact CD1-CD1 4.38Å; F565-L569 HydrophobicContact CE1-CD1 3.89Å; F565-L569 HydrophobicContact CZ-CD1 4.38Å |
| 566 | F | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -38.6 | -176.6 | -83 | -80.8 | 0 | 0 | 0 | 112.9 | F561 D562 D563 S568 L569 M585 R588 Y592 L594 | F561-F566 HydrophobicContact CB-CD2 4.48Å; F561-F566 HydrophobicContact CB-CE2 3.76Å; F561-F566 WeakPolarHBondContact O-CD2 3.46Å; F561-F566 WeakPolarHBondContact O-CE2 3.28Å; D562-F566 WeakPolarHBondContact O-CD2 3.47Å; D562-F566 PolarHBondContact O-N 2.81Å; D563-F566 PolarHBondContact O-N 3.33Å; F566-S568 PolarHBondContact O-N 3.4Å; F566-L569 HydrophobicContact CD1-CD1 4.06Å; F566-L569 WeakPolarHBondContact O-CB 3.31Å; F566-L569 PolarHBondContact O-N 3.49Å; F566-L569 VanDerWaalsContact O-N 3.11Å; F566-M585 HydrophobicContact CE1-CE 3.87Å; F566-M585 HydrophobicContact CZ-CE 4.03Å; F566-R588 HydrophobicContact CE1-CB 4Å; F566-R588 HydrophobicContact CZ-CB 3.89Å; F566-R588 HydrophobicContact CZ-CG 4.18Å; F566-Y592 HydrophobicContact CB-CD1 3.74Å; F566-Y592 HydrophobicContact CB-CD2 3.35Å; F566-Y592 HydrophobicContact CB-CE1 3.86Å; F566-Y592 HydrophobicContact CB-CE2 3.47Å; F566-Y592 VanDerWaalsContact CB-CE2 3.47Å; F566-Y592 HydrophobicContact CB-CG 3.51Å; F566-Y592 AromaticContact CD1-CD2 3.68Å; F566-Y592 HydrophobicContact CD1-CD2 3.68Å; F566-Y592 HydrophobicContact CD1-CE2 4.06Å; F566-Y592 HydrophobicContact CD1-CG 4.42Å; F566-Y592 AromaticContact CD2-CD2 3.95Å; F566-Y592 HydrophobicContact CD2-CD2 3.95Å; F566-Y592 AromaticContact CD2-CE2 3.44Å; F566-Y592 HydrophobicContact CD2-CE2 3.44Å; F566-Y592 VanDerWaalsContact CD2-CE2 3.44Å; F566-Y592 HydrophobicContact CE1-CD2 4.43Å; F566-Y592 HydrophobicContact CE2-CE2 4.14Å; F566-Y592 AromaticContact CG-CD2 3.4Å; F566-Y592 HydrophobicContact CG-CD2 3.4Å; F566-Y592 VanDerWaalsContact CG-CD2 3.4Å; F566-Y592 AromaticContact CG-CE2 3.39Å; F566-Y592 HydrophobicContact CG-CE2 3.39Å; F566-Y592 HydrophobicContact CG-CG 4.09Å; F566-L594 HydrophobicContact CB-CD1 4.44Å; F566-L594 HydrophobicContact CD1-CD1 3.82Å |
| 567 | E | 95.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.2 | -22.6 | 175.7 | -73.4 | 171.7 | 163 | 0 | 0 | 112.4 | D563 Y592 K1049 | D563-E567 WeakPolarHBondContact O-CB 3.43Å; D563-E567 WeakPolarHBondContact O-CG 3.25Å; D563-E567 PolarHBondContact O-N 2.98Å; E567-Y592 HydrophobicContact CG-CD1 4.32Å; E567-K1049 IonicContact OE2-NZ 3.77Å; E567-K1049 PolarHBondContact OE2-NZ 3.45Å |
| 568 | S | 96.5 | Very high | 94.9 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7.8 | 177.1 | 87.3 | 0 | 0 | 0 | 0 | 114.8 | R471 E564 F565 F566 | R471-S568 VanDerWaalsContact CD-O 3.27Å; R471-S568 WeakPolarHBondContact CD-O 3.44Å; R471-S568 PolarHBondContact NE-O 2.98Å; R471-S568 PolarHBondContact NH2-OG 3.1Å; E564-S568 WeakPolarHBondContact O-CB 3.27Å; E564-S568 PolarHBondContact O-N 3.24Å; F565-S568 WeakPolarHBondContact O-CB 3.5Å; F565-S568 PolarHBondContact O-N 2.82Å; F565-S568 PolarHBondContact O-OG 3.49Å; F566-S568 PolarHBondContact O-N 3.4Å |
| 569 | L | 98.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | trans | -89.6 | 155.7 | -174.8 | -58.9 | 177.6 | 0 | 0 | 0 | 112.3 | F473 F502 F565 F566 V572 L594 | F473-L569 HydrophobicContact CB-CD1 3.65Å; F473-L569 HydrophobicContact CB-CD2 4.19Å; F473-L569 HydrophobicContact CD1-CD1 4.4Å; F473-L569 HydrophobicContact CG-CD1 4.41Å; F502-L569 HydrophobicContact CD2-CD2 3.82Å; F502-L569 HydrophobicContact CE2-CD2 4Å; F565-L569 HydrophobicContact CD1-CD1 4.38Å; F565-L569 HydrophobicContact CE1-CD1 3.89Å; F565-L569 HydrophobicContact CZ-CD1 4.38Å; F566-L569 HydrophobicContact CD1-CD1 4.06Å; F566-L569 WeakPolarHBondContact O-CB 3.31Å; F566-L569 PolarHBondContact O-N 3.49Å; F566-L569 VanDerWaalsContact O-N 3.11Å; L569-V572 HydrophobicContact CD1-CG2 4.34Å; L569-L594 HydrophobicContact CB-CD1 4.1Å; L569-L594 HydrophobicContact CB-CD2 4.19Å; L569-L594 HydrophobicContact CD1-CD1 4.24Å; L569-L594 WeakPolarHBondContact O-CD2 3.4Å | ||
| 570 | N | 98.2 | Very high | 95 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -100.2 | -16.5 | 167.9 | -56 | 132.9 | 0 | 0 | 0 | 112.6 | Q470 R471 P595 | Q470-N570 WeakPolarHBondContact CA-OD1 3.43Å; R471-N570 PolarHBondContact N-OD1 3.33Å; R471-N570 WeakPolarHBondContact O-CB 3.3Å; R471-N570 PolarHBondContact O-N 3.36Å; N570-P595 WeakPolarHBondContact O-CD 3.4Å |
| 571 | G | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W472 F473 P595 | W472-G571 WeakPolarHBondContact CA-O 3.47Å; W472-G571 VanDerWaalsContact CE3-C 3.41Å; F473-G571 PolarHBondContact N-O 3.27Å; G571-P595 CarbonylContact C-O 3.58Å; G571-P595 VanDerWaalsContact CA-O 3.31Å; G571-P595 WeakPolarHBondContact CA-O 3.25Å |
| 572 | V | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.2 | -179.3 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | W472 F473 V475 L569 M585 C589 L594 P595 L596 L597 | W472-V572 VanDerWaalsContact CZ3-O 3.31Å; W472-V572 WeakPolarHBondContact CZ3-O 3.41Å; F473-V572 HydrophobicContact CB-CG2 4.39Å; F473-V572 CarbonylContact O-C 3.57Å; F473-V572 WeakPolarHBondContact O-CA 3.48Å; V475-V572 HydrophobicContact CG2-CG1 3.94Å; L569-V572 HydrophobicContact CD1-CG2 4.34Å; V572-M585 HydrophobicContact CG1-CE 3.69Å; V572-M585 HydrophobicContact CG2-CE 4.3Å; V572-C589 VanDerWaalsContact CG2-SG 3.58Å; V572-L594 HydrophobicContact CG2-CD1 4.3Å; V572-P595 PolarHBondContact N-O 3.2Å; V572-L596 HydrophobicContact CB-CD1 3.98Å; V572-L596 HydrophobicContact CG1-CD1 3.79Å; V572-L596 WeakPolarHBondContact O-CA 3.48Å; V572-L597 PolarHBondContact O-N 3.29Å |
| 573 | A | 98.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | W472 F473 I474 V475 L484 F488 L597 | W472-A573 HydrophobicContact CE3-CB 4.27Å; W472-A573 HydrophobicContact CZ3-CB 4.37Å; F473-A573 PolarHBondContact O-N 3.02Å; I474-A573 WeakPolarHBondContact CA-O 3.37Å; V475-A573 PolarHBondContact N-O 3.07Å; L484-A573 HydrophobicContact CD1-CB 4.14Å; F488-A573 HydrophobicContact CZ-CB 4.48Å; A573-L597 WeakPolarHBondContact CA-O 3.38Å; A573-L597 HydrophobicContact CB-CB 4.35Å |
| 574 | N | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 136.4 | 178.2 | -79.8 | -8.9 | 0 | 0 | 0 | 111.1 | L576 L596 L597 E598 S599 | N574-L576 HydrophobicContact CB-CD1 4.16Å; N574-L576 HydrophobicContact CB-CG 4.32Å; N574-L596 HydrophobicContact CB-CD1 4.32Å; N574-L597 PolarHBondContact N-O 3.14Å; N574-E598 WeakPolarHBondContact CB-OE2 3.41Å; N574-E598 PolarHBondContact ND2-OE2 2.83Å; N574-S599 PolarHBondContact O-OG 3.38Å |
| 575 | A | 97.8 | Very high | 96 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | trans | -132.4 | 43.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V475 G476 I480 L484 | V475-A575 CarbonylContact O-C 3.56Å; V475-A575 WeakPolarHBondContact O-CA 3.41Å; V475-A575 PolarHBondContact O-N 3.44Å; G476-A575 WeakPolarHBondContact O-CB 3.27Å; I480-A575 HydrophobicContact CB-CB 3.92Å; I480-A575 HydrophobicContact CG2-CB 3.88Å; L484-A575 HydrophobicContact CD1-CB 4.25Å | ||
| 576 | L | 95.5 | Very high | 96.1 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | trans | -89.6 | 164.5 | -170.1 | -64.9 | 170.4 | 0 | 0 | 0 | 112.4 | V475 N574 A581 R582 M585 | V475-L576 HydrophobicContact CB-CD2 4.49Å; V475-L576 HydrophobicContact CG1-CD2 3.79Å; V475-L576 HydrophobicContact CG1-CG 4.37Å; N574-L576 HydrophobicContact CB-CD1 4.16Å; N574-L576 HydrophobicContact CB-CG 4.32Å; L576-A581 HydrophobicContact CD1-CB 3.81Å; L576-A581 HydrophobicContact CD2-CB 3.97Å; L576-A581 HydrophobicContact CG-CB 4.4Å; L576-R582 HydrophobicContact CB-CG 4.06Å; L576-R582 HydrophobicContact CD1-CB 4.46Å; L576-R582 HydrophobicContact CD1-CG 3.91Å; L576-R582 PolarHBondContact O-NH2 2.85Å; L576-M585 HydrophobicContact CD1-CG 4.34Å | ||
| 577 | D | 90.7 | Very high | 96.1 | Very high | 106 Ų | 106 | 40.8 Ų | 40.8 | 57% | 0.567 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -121 | -2 | -179.6 | 65.6 | -6.7 | 0 | 0 | 0 | 114.1 | ||
| 578 | N | 89.2 | Confident | 96.2 | Very high | 52 Ų | 52 | 37.5 Ų | 37.5 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -133 | 153 | 179.9 | 66.5 | 88.6 | 0 | 0 | 0 | 111.9 | A581 R582 | N578-A581 WeakPolarHBondContact OD1-CB 3.45Å; N578-A581 PolarHBondContact OD1-N 3.11Å; N578-R582 VanDerWaalsContact N-NH1 3.17Å; N578-R582 WeakPolarHBondContact O-CG 3.31Å; N578-R582 PolarHBondContact O-NH1 2.76Å; N578-R582 VanDerWaalsContact O-NH1 3.1Å |
| 579 | V | 90.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 35.8 Ų | 35.8 | 50% | 0.503 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.6 | -31.9 | -175.9 | 176.8 | 0 | 0 | 0 | 0 | 112 | R582 T583 | V579-R582 WeakPolarHBondContact O-CB 3.38Å; V579-R582 PolarHBondContact O-N 3.04Å; V579-T583 WeakPolarHBondContact O-CB 3.19Å; V579-T583 PolarHBondContact O-N 2.64Å; V579-T583 PolarHBondContact O-OG1 3.3Å |
| 580 | E | 91.9 | Very high | 96.2 | Very high | 136 Ų | 136 | 36.2 Ų | 36.2 | 64% | 0.636 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -62.2 | -50 | -178.6 | -175.2 | -176.9 | -166.5 | 0 | 0 | 111.7 | R552 R582 T583 Y584 | R552-E580 IonicContact NH2-OE2 2.85Å; E580-R582 VanDerWaalsContact C-N 3.32Å; E580-R582 PolarHBondContact O-N 3.27Å; E580-T583 PolarHBondContact O-N 3.47Å; E580-Y584 PolarHBondContact O-N 3.46Å |
| 581 | A | 95.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 34 Ų | 34 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L576 N578 Y584 M585 | L576-A581 HydrophobicContact CD1-CB 3.81Å; L576-A581 HydrophobicContact CD2-CB 3.97Å; L576-A581 HydrophobicContact CG-CB 4.4Å; N578-A581 WeakPolarHBondContact OD1-CB 3.45Å; N578-A581 PolarHBondContact OD1-N 3.11Å; A581-Y584 PolarHBondContact O-N 3.44Å; A581-M585 PolarHBondContact O-N 3.33Å |
| 582 | R | 97.3 | Very high | 96 | Very high | 25 Ų | 25 | 35 Ų | 35 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 174.2 | -72.4 | 176 | 169.5 | 91 | 0.1 | 111.1 | L576 N578 V579 E580 Y584 M585 D586 E598 S599 Y619 | L576-R582 HydrophobicContact CB-CG 4.06Å; L576-R582 HydrophobicContact CD1-CB 4.46Å; L576-R582 HydrophobicContact CD1-CG 3.91Å; L576-R582 PolarHBondContact O-NH2 2.85Å; N578-R582 VanDerWaalsContact N-NH1 3.17Å; N578-R582 WeakPolarHBondContact O-CG 3.31Å; N578-R582 PolarHBondContact O-NH1 2.76Å; N578-R582 VanDerWaalsContact O-NH1 3.1Å; V579-R582 WeakPolarHBondContact O-CB 3.38Å; V579-R582 PolarHBondContact O-N 3.04Å; E580-R582 VanDerWaalsContact C-N 3.32Å; E580-R582 PolarHBondContact O-N 3.27Å; R582-Y584 VanDerWaalsContact C-N 3.3Å; R582-Y584 PolarHBondContact O-N 2.95Å; R582-M585 PolarHBondContact O-N 3.37Å; R582-D586 WeakPolarHBondContact O-CB 3.38Å; R582-D586 PolarHBondContact O-N 3.18Å; R582-E598 WeakPolarHBondContact CD-OE1 3.11Å; R582-E598 IonicContact CZ-OE1 3.95Å; R582-E598 IonicContact NE-OE1 3.76Å; R582-E598 PolarHBondContact NE-OE1 3.27Å; R582-E598 IonicContact NE-OE2 2.67Å; R582-E598 IonicContact NH2-OE1 3.96Å; R582-S599 PolarHBondContact NH2-O 2.78Å; R582-Y619 HydrophobicContact CB-CD1 4.09Å; R582-Y619 HydrophobicContact CB-CE1 3.6Å |
| 583 | T | 96.2 | Very high | 96 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 20% | 0.202 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.6 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | V579 E580 R587 | V579-T583 WeakPolarHBondContact O-CB 3.19Å; V579-T583 PolarHBondContact O-N 2.64Å; V579-T583 PolarHBondContact O-OG1 3.3Å; E580-T583 PolarHBondContact O-N 3.47Å; T583-R587 WeakPolarHBondContact O-CG 3.28Å; T583-R587 PolarHBondContact O-N 3.18Å |
| 584 | Y | 96.8 | Very high | 96 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -52 | 174.7 | 174 | -97.7 | 0 | 0 | 0 | 111.5 | V553 C554 E558 E580 A581 R582 D586 R587 R588 | V553-Y584 HydrophobicContact CB-CD1 4.16Å; V553-Y584 HydrophobicContact CB-CE1 4.01Å; C554-Y584 PolarHBondContact O-OH 3.49Å; C554-Y584 VanDerWaalsContact O-OH 3.12Å; E558-Y584 VanDerWaalsContact CG-OH 3.28Å; E558-Y584 WeakPolarHBondContact CG-OH 3.35Å; E558-Y584 PolarHBondContact OE1-OH 2.97Å; E580-Y584 PolarHBondContact O-N 3.46Å; A581-Y584 PolarHBondContact O-N 3.44Å; R582-Y584 VanDerWaalsContact C-N 3.3Å; R582-Y584 PolarHBondContact O-N 2.95Å; Y584-D586 VanDerWaalsContact C-N 3.34Å; Y584-D586 PolarHBondContact O-N 3.46Å; Y584-R587 PolarHBondContact O-N 3.14Å; Y584-R588 HydrophobicContact CD1-CG 4.4Å; Y584-R588 HydrophobicContact CE1-CG 3.95Å; Y584-R588 HydrophobicContact CE2-CG 4.15Å; Y584-R588 WeakPolarHBondContact O-CG 3.19Å; Y584-R588 PolarHBondContact O-N 3.29Å |
| 585 | M | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | 179.7 | -73.3 | -51.4 | -54.3 | 0 | 0 | 112.7 | F473 V475 V553 F566 V572 L576 A581 R582 R588 C589 | F473-M585 HydrophobicContact CD1-CE 4.07Å; F473-M585 HydrophobicContact CE1-CE 4.05Å; V475-M585 HydrophobicContact CG1-CG 4.22Å; V475-M585 HydrophobicContact CG1-SD 4.46Å; V475-M585 HydrophobicContact CG2-CE 3.85Å; V475-M585 HydrophobicContact CG2-CG 4.28Å; V475-M585 HydrophobicContact CG2-SD 4.14Å; V553-M585 HydrophobicContact CB-SD 4Å; V553-M585 HydrophobicContact CG1-SD 4.02Å; V553-M585 HydrophobicContact CG2-CG 4.31Å; V553-M585 HydrophobicContact CG2-SD 4.26Å; F566-M585 HydrophobicContact CE1-CE 3.87Å; F566-M585 HydrophobicContact CZ-CE 4.03Å; V572-M585 HydrophobicContact CG1-CE 3.69Å; V572-M585 HydrophobicContact CG2-CE 4.3Å; L576-M585 HydrophobicContact CD1-CG 4.34Å; A581-M585 PolarHBondContact O-N 3.33Å; R582-M585 PolarHBondContact O-N 3.37Å; M585-R588 PolarHBondContact O-N 2.99Å; M585-C589 WeakPolarHBondContact O-CB 3.26Å; M585-C589 PolarHBondContact O-N 3.3Å; M585-C589 PolarHBondContact O-SG 3.42Å |
| 586 | D | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.3 | -50.6 | 173.5 | -176.7 | 62.4 | 0 | 0 | 0 | 111.3 | R582 Y584 R588 C589 V590 L596 S618 Y619 S620 | R582-D586 WeakPolarHBondContact O-CB 3.38Å; R582-D586 PolarHBondContact O-N 3.18Å; Y584-D586 VanDerWaalsContact C-N 3.34Å; Y584-D586 PolarHBondContact O-N 3.46Å; D586-R588 VanDerWaalsContact C-N 3.33Å; D586-R588 PolarHBondContact O-N 3.36Å; D586-C589 PolarHBondContact O-N 2.94Å; D586-C589 VanDerWaalsContact O-N 3.13Å; D586-V590 WeakPolarHBondContact O-CG2 3.42Å; D586-V590 PolarHBondContact O-N 3.08Å; D586-L596 HydrophobicContact CB-CD2 4.24Å; D586-S618 VanDerWaalsContact OD1-CB 3.31Å; D586-S618 WeakPolarHBondContact OD1-CB 3.3Å; D586-S618 VanDerWaalsContact OD2-CB 3.31Å; D586-S618 WeakPolarHBondContact OD2-CB 3.37Å; D586-S618 PolarHBondContact OD2-OG 2.73Å; D586-Y619 HydrophobicContact CB-CD1 4.43Å; D586-Y619 WeakPolarHBondContact OD1-CB 3.46Å; D586-Y619 PolarHBondContact OD1-N 3.13Å; D586-Y619 PolarHBondContact OD2-N 3.12Å; D586-S620 VanDerWaalsContact OD2-CB 3.29Å; D586-S620 WeakPolarHBondContact OD2-CB 3.49Å; D586-S620 PolarHBondContact OD2-N 3.22Å; D586-S620 PolarHBondContact OD2-OG 2.88Å |
| 587 | R | 96.8 | Very high | 96.1 | Very high | 145 Ų | 145 | 38.5 Ų | 38.5 | 55% | 0.547 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 177.3 | -73 | -174 | -63 | -123.7 | 0.6 | 112.4 | T583 Y584 V590 Y591 | T583-R587 WeakPolarHBondContact O-CG 3.28Å; T583-R587 PolarHBondContact O-N 3.18Å; Y584-R587 PolarHBondContact O-N 3.14Å; R587-V590 PolarHBondContact O-N 2.61Å; R587-Y591 WeakPolarHBondContact O-CB 3.36Å; R587-Y591 PolarHBondContact O-N 3.47Å |
| 588 | R | 96.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 11% | 0.109 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.9 | -60.9 | -63.8 | -73.8 | -171.8 | 0.4 | 110.9 | E558 F561 F566 Y584 M585 D586 V590 Y591 Y592 | E558-R588 IonicContact OE1-CZ 3Å; E558-R588 IonicContact OE1-NH1 2.65Å; E558-R588 PolarHBondContact OE1-NH1 2.86Å; E558-R588 IonicContact OE2-CZ 3.88Å; E558-R588 IonicContact OE2-NH1 3.15Å; E558-R588 PolarHBondContact OE2-NH1 2.87Å; F561-R588 PolarHBondContact O-NH2 2.82Å; F566-R588 HydrophobicContact CE1-CB 4Å; F566-R588 HydrophobicContact CZ-CB 3.89Å; F566-R588 HydrophobicContact CZ-CG 4.18Å; Y584-R588 HydrophobicContact CD1-CG 4.4Å; Y584-R588 HydrophobicContact CE1-CG 3.95Å; Y584-R588 HydrophobicContact CE2-CG 4.15Å; Y584-R588 WeakPolarHBondContact O-CG 3.19Å; Y584-R588 PolarHBondContact O-N 3.29Å; M585-R588 PolarHBondContact O-N 2.99Å; D586-R588 VanDerWaalsContact C-N 3.33Å; D586-R588 PolarHBondContact O-N 3.36Å; R588-V590 PolarHBondContact O-N 2.92Å; R588-Y591 PolarHBondContact O-N 3.45Å; R588-Y592 HydrophobicContact CB-CD2 4.46Å; R588-Y592 PolarHBondContact NH2-OH 3.06Å; R588-Y592 WeakPolarHBondContact O-CD2 3.4Å; R588-Y592 PolarHBondContact O-N 2.93Å |
| 589 | C | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 178.1 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | V572 M585 D586 Y592 R593 L594 L596 | V572-C589 VanDerWaalsContact CG2-SG 3.58Å; M585-C589 WeakPolarHBondContact O-CB 3.26Å; M585-C589 PolarHBondContact O-N 3.3Å; M585-C589 PolarHBondContact O-SG 3.42Å; D586-C589 PolarHBondContact O-N 2.94Å; D586-C589 VanDerWaalsContact O-N 3.13Å; C589-Y592 PolarHBondContact O-N 3.41Å; C589-R593 CarbonylContact O-C 3.55Å; C589-R593 WeakPolarHBondContact O-CA 3.43Å; C589-R593 PolarHBondContact O-N 3.4Å; C589-L594 HydrophobicContact CB-CB 4.41Å; C589-L594 PolarHBondContact O-N 2.81Å; C589-L596 HydrophobicContact CB-CB 4.12Å |
| 590 | V | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 27.3 Ų | 27.3 | 12% | 0.115 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 171.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | D586 R587 R588 Y592 R593 L977 W978 | D586-V590 WeakPolarHBondContact O-CG2 3.42Å; D586-V590 PolarHBondContact O-N 3.08Å; R587-V590 PolarHBondContact O-N 2.61Å; R588-V590 PolarHBondContact O-N 2.92Å; V590-Y592 PolarHBondContact O-N 3.45Å; V590-R593 PolarHBondContact O-N 2.73Å; V590-L977 HydrophobicContact CB-CD1 4.31Å; V590-L977 HydrophobicContact CG1-CD1 3.61Å; V590-L977 HydrophobicContact CG2-CD1 3.66Å; V590-W978 HydrophobicContact CB-CZ3 4.25Å; V590-W978 HydrophobicContact CG1-CE3 4.41Å; V590-W978 HydrophobicContact CG2-CH2 3.97Å; V590-W978 HydrophobicContact CG2-CZ2 4.45Å; V590-W978 HydrophobicContact CG2-CZ3 4.06Å |
| 591 | Y | 96.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 22.4 Ų | 22.4 | 9% | 0.086 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 179 | 178.7 | -101.7 | 0 | 0 | 0 | 112.8 | R587 R588 R593 R980 V1052 Y1069 K1071 | R587-Y591 WeakPolarHBondContact O-CB 3.36Å; R587-Y591 PolarHBondContact O-N 3.47Å; R588-Y591 PolarHBondContact O-N 3.45Å; Y591-R593 VanDerWaalsContact C-N 3.34Å; Y591-R980 PolarHBondContact O-NH1 3.39Å; Y591-R980 PolarHBondContact O-NH2 3.46Å; Y591-V1052 HydrophobicContact CD2-CG2 3.74Å; Y591-V1052 HydrophobicContact CE2-CG2 3.47Å; Y591-V1052 VanDerWaalsContact CE2-CG2 3.47Å; Y591-Y1069 HydrophobicContact CD2-CE2 4.33Å; Y591-K1071 HydrophobicContact CE2-CD 4.15Å; Y591-K1071 HydrophobicContact CE2-CG 4.17Å; Y591-K1071 WeakPolarHBondContact OH-CE 3.36Å |
| 592 | Y | 97 | Very high | 97.4 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 8% | 0.082 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -87.9 | 0.1 | 178.2 | -66 | -72 | 0 | 0 | 0 | 114.2 | D563 F566 E567 R588 C589 V590 L594 | D563-Y592 HydrophobicContact CB-CE1 4.34Å; D563-Y592 VanDerWaalsContact OD1-CE1 3.31Å; D563-Y592 WeakPolarHBondContact OD1-CE1 3.34Å; D563-Y592 VanDerWaalsContact OD1-CZ 3.3Å; D563-Y592 PolarHBondContact OD1-OH 3.47Å; F566-Y592 HydrophobicContact CB-CD1 3.74Å; F566-Y592 HydrophobicContact CB-CD2 3.35Å; F566-Y592 HydrophobicContact CB-CE1 3.86Å; F566-Y592 HydrophobicContact CB-CE2 3.47Å; F566-Y592 VanDerWaalsContact CB-CE2 3.47Å; F566-Y592 HydrophobicContact CB-CG 3.51Å; F566-Y592 AromaticContact CD1-CD2 3.68Å; F566-Y592 HydrophobicContact CD1-CD2 3.68Å; F566-Y592 HydrophobicContact CD1-CE2 4.06Å; F566-Y592 HydrophobicContact CD1-CG 4.42Å; F566-Y592 AromaticContact CD2-CD2 3.95Å; F566-Y592 HydrophobicContact CD2-CD2 3.95Å; F566-Y592 AromaticContact CD2-CE2 3.44Å; F566-Y592 HydrophobicContact CD2-CE2 3.44Å; F566-Y592 VanDerWaalsContact CD2-CE2 3.44Å; F566-Y592 HydrophobicContact CE1-CD2 4.43Å; F566-Y592 HydrophobicContact CE2-CE2 4.14Å; F566-Y592 AromaticContact CG-CD2 3.4Å; F566-Y592 HydrophobicContact CG-CD2 3.4Å; F566-Y592 VanDerWaalsContact CG-CD2 3.4Å; F566-Y592 AromaticContact CG-CE2 3.39Å; F566-Y592 HydrophobicContact CG-CE2 3.39Å; F566-Y592 HydrophobicContact CG-CG 4.09Å; E567-Y592 HydrophobicContact CG-CD1 4.32Å; R588-Y592 HydrophobicContact CB-CD2 4.46Å; R588-Y592 PolarHBondContact NH2-OH 3.06Å; R588-Y592 WeakPolarHBondContact O-CD2 3.4Å; R588-Y592 PolarHBondContact O-N 2.93Å; C589-Y592 PolarHBondContact O-N 3.41Å; V590-Y592 PolarHBondContact O-N 3.45Å; Y592-L594 VanDerWaalsContact C-N 3.31Å; Y592-L594 PolarHBondContact O-N 3.26Å |
| 593 | R | 97.5 | Very high | 97.3 | Very high | 77 Ų | 77 | 26.3 Ų | 26.3 | 29% | 0.291 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 47.8 | -173.8 | -62.9 | 173.2 | 175.1 | 149.6 | -0.7 | 111.8 | C589 V590 Y591 P613 H614 W978 R980 E982 | C589-R593 CarbonylContact O-C 3.55Å; C589-R593 WeakPolarHBondContact O-CA 3.43Å; C589-R593 PolarHBondContact O-N 3.4Å; V590-R593 PolarHBondContact O-N 2.73Å; Y591-R593 VanDerWaalsContact C-N 3.34Å; R593-P613 VanDerWaalsContact C-CG 3.43Å; R593-P613 HydrophobicContact CB-CB 4.33Å; R593-P613 VanDerWaalsContact O-CG 3.23Å; R593-P613 WeakPolarHBondContact O-CG 3.42Å; R593-H614 WeakPolarHBondContact CD-NE2 3.42Å; R593-H614 PolarHBondContact NE-NE2 2.8Å; R593-W978 PolarHBondContact NE-O 2.9Å; R593-R980 VanDerWaalsContact CZ-CZ 3.47Å; R593-E982 IonicContact CZ-OE1 3.03Å; R593-E982 IonicContact NH1-OE1 2.7Å; R593-E982 PolarHBondContact NH1-OE1 3.46Å; R593-E982 VanDerWaalsContact NH1-OE1 3.09Å; R593-E982 IonicContact NH2-OE1 3.06Å |
| 594 | L | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.063 | 11% | 0.114 | C | C | . | . | trans | -101.6 | 139.6 | 177.5 | -67.3 | 172 | 0 | 0 | 0 | 111 | F566 L569 V572 C589 Y592 | F566-L594 HydrophobicContact CB-CD1 4.44Å; F566-L594 HydrophobicContact CD1-CD1 3.82Å; L569-L594 HydrophobicContact CB-CD1 4.1Å; L569-L594 HydrophobicContact CB-CD2 4.19Å; L569-L594 HydrophobicContact CD1-CD1 4.24Å; L569-L594 WeakPolarHBondContact O-CD2 3.4Å; V572-L594 HydrophobicContact CG2-CD1 4.3Å; C589-L594 HydrophobicContact CB-CB 4.41Å; C589-L594 PolarHBondContact O-N 2.81Å; Y592-L594 VanDerWaalsContact C-N 3.31Å; Y592-L594 PolarHBondContact O-N 3.26Å | ||
| 595 | P | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 8% | 0.078 | 13% | 0.125 | C | C | . | . | trans | -59 | 138.8 | 164.2 | -20.2 | 31.6 | 0 | 0 | 0 | 111.6 | N570 G571 V572 V611 Y612 P613 V932 | N570-P595 WeakPolarHBondContact O-CD 3.4Å; G571-P595 CarbonylContact C-O 3.58Å; G571-P595 VanDerWaalsContact CA-O 3.31Å; G571-P595 WeakPolarHBondContact CA-O 3.25Å; V572-P595 PolarHBondContact N-O 3.2Å; P595-V611 CarbonylContact C-O 3.57Å; P595-V611 WeakPolarHBondContact CA-O 3.29Å; P595-Y612 HydrophobicContact CB-CD2 4.19Å; P595-Y612 HydrophobicContact CB-CE2 4.37Å; P595-Y612 HydrophobicContact CG-CD2 4.22Å; P595-Y612 HydrophobicContact CG-CE2 3.99Å; P595-P613 HydrophobicContact CG-CG 4.36Å; P595-V932 HydrophobicContact CB-CG1 3.59Å; P595-V932 HydrophobicContact CG-CG1 3.83Å | ||
| 596 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.4 | 175.9 | 168.8 | 66 | 0 | 0 | 0 | 110 | V572 N574 D586 C589 V611 | V572-L596 HydrophobicContact CB-CD1 3.98Å; V572-L596 HydrophobicContact CG1-CD1 3.79Å; V572-L596 WeakPolarHBondContact O-CA 3.48Å; N574-L596 HydrophobicContact CB-CD1 4.32Å; D586-L596 HydrophobicContact CB-CD2 4.24Å; C589-L596 HydrophobicContact CB-CB 4.12Å; L596-V611 HydrophobicContact CB-CB 4.07Å; L596-V611 PolarHBondContact N-O 2.64Å; L596-V611 PolarHBondContact O-N 2.67Å |
| 597 | L | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 107.7 | 166.9 | -64.1 | 174.7 | 0 | 0 | 0 | 108.6 | W472 V572 A573 N574 V610 E928 F929 V932 | W472-L597 HydrophobicContact CH2-CD1 3.78Å; W472-L597 HydrophobicContact CH2-CG 4.04Å; W472-L597 HydrophobicContact CZ3-CD1 3.67Å; W472-L597 HydrophobicContact CZ3-CG 3.95Å; V572-L597 PolarHBondContact O-N 3.29Å; A573-L597 WeakPolarHBondContact CA-O 3.38Å; A573-L597 HydrophobicContact CB-CB 4.35Å; N574-L597 PolarHBondContact N-O 3.14Å; L597-V610 HydrophobicContact CD2-CB 4.27Å; L597-V610 HydrophobicContact CD2-CG2 4Å; L597-E928 HydrophobicContact CD2-CB 3.88Å; L597-F929 HydrophobicContact CD1-CB 3.65Å; L597-F929 HydrophobicContact CD1-CD2 3.88Å; L597-F929 HydrophobicContact CD1-CG 4.27Å; L597-V932 HydrophobicContact CD2-CG2 4.06Å |
| 598 | E | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.9 | 177.2 | 176 | 53.6 | -128.3 | 0 | 0 | 110.3 | N574 R582 V608 Q609 Y619 | N574-E598 WeakPolarHBondContact CB-OE2 3.41Å; N574-E598 PolarHBondContact ND2-OE2 2.83Å; R582-E598 WeakPolarHBondContact CD-OE1 3.11Å; R582-E598 IonicContact CZ-OE1 3.95Å; R582-E598 IonicContact NE-OE1 3.76Å; R582-E598 PolarHBondContact NE-OE1 3.27Å; R582-E598 IonicContact NE-OE2 2.67Å; R582-E598 IonicContact NH2-OE1 3.96Å; E598-V608 WeakPolarHBondContact O-CA 3.32Å; E598-Q609 HydrophobicContact CB-CB 4.28Å; E598-Q609 PolarHBondContact N-O 2.86Å; E598-Q609 PolarHBondContact O-N 3.43Å; E598-Y619 HydrophobicContact CG-CD2 3.88Å; E598-Y619 HydrophobicContact CG-CE2 4.17Å |
| 599 | S | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 144.8 | 177.6 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | I480 N574 R582 N607 | I480-S599 WeakPolarHBondContact CG2-OG 3.36Å; N574-S599 PolarHBondContact O-OG 3.38Å; R582-S599 PolarHBondContact NH2-O 2.78Å; S599-N607 WeakPolarHBondContact CA-O 3.23Å |
| 600 | G | 96.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 151.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G606 N607 | G600-G606 VanDerWaalsContact O-CA 3.24Å; G600-G606 WeakPolarHBondContact O-CA 3.49Å; G600-N607 WeakPolarHBondContact CA-OD1 3.35Å; G600-N607 PolarHBondContact N-O 3.35Å; G600-N607 PolarHBondContact O-N 3.12Å; G600-N607 PolarHBondContact O-OD1 3.21Å |
| 601 | T | 97 | Very high | 97.5 | Very high | 34 Ų | 34 | 22.3 Ų | 22.3 | 21% | 0.209 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145.2 | 172.1 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | I480 K605 T917 V921 | I480-T601 HydrophobicContact CD1-CG2 4.27Å; T601-K605 WeakPolarHBondContact CA-O 3.23Å; T601-T917 HydrophobicContact CG2-CG2 4.03Å; T601-V921 HydrophobicContact CG2-CB 4.06Å; T601-V921 HydrophobicContact CG2-CG1 4.33Å; T601-V921 HydrophobicContact CG2-CG2 3.83Å |
| 602 | Q | 94.2 | Very high | 97.6 | Very high | 115 Ų | 115 | 22.3 Ų | 22.3 | 54% | 0.537 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 97.4 | 170.6 | -171.5 | -178 | 9.7 | 0 | 0 | 108.8 | P604 K605 I911 | Q602-P604 WeakPolarHBondContact O-CD 3.49Å; Q602-K605 PolarHBondContact N-O 3.21Å; Q602-K605 VanDerWaalsContact O-CB 3.31Å; Q602-K605 WeakPolarHBondContact O-CB 3.38Å; Q602-K605 PolarHBondContact O-N 3.49Å; Q602-I911 HydrophobicContact CG-CG2 4.36Å |
| 603 | G | 95 | Very high | 97.6 | Very high | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -117.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V40 K605 P912 T917 | V40-G603 VanDerWaalsContact CG2-CA 3.49Å; G603-K605 VanDerWaalsContact C-N 3.29Å; G603-P912 PolarHBondContact N-O 3.29Å; G603-T917 WeakPolarHBondContact O-CB 3.37Å; G603-T917 PolarHBondContact O-OG1 2.91Å |
| 604 | P | 97 | Very high | 97.6 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.9 | 176 | 34.6 | -31.8 | 0 | 0 | 0 | 113.3 | F415 Q602 T917 N951 L952 A953 | F415-P604 HydrophobicContact CE2-CB 4.18Å; F415-P604 HydrophobicContact CZ-CB 4.34Å; F415-P604 HydrophobicContact CZ-CG 4.23Å; Q602-P604 WeakPolarHBondContact O-CD 3.49Å; P604-T917 WeakPolarHBondContact CA-OG1 3.26Å; P604-N951 WeakPolarHBondContact O-CA 3.32Å; P604-L952 HydrophobicContact CB-CB 4.39Å; P604-L952 PolarHBondContact O-N 3.13Å; P604-A953 HydrophobicContact CB-CB 3.87Å; P604-A953 HydrophobicContact CG-CB 3.73Å |
| 605 | K | 98.1 | Very high | 97.5 | Very high | 69 Ų | 69 | 23.7 Ų | 23.7 | 30% | 0.3 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 144.2 | -178.3 | -54.5 | 169.5 | -174.2 | 173.5 | 0 | 110.1 | E213 T601 Q602 G603 T917 I950 N951 | E213-K605 VanDerWaalsContact CD-NZ 3.27Å; E213-K605 WeakPolarHBondContact OE1-CE 3.48Å; E213-K605 IonicContact OE1-NZ 3.39Å; E213-K605 PolarHBondContact OE1-NZ 3.48Å; E213-K605 IonicContact OE2-NZ 3.42Å; E213-K605 PolarHBondContact OE2-NZ 2.95Å; T601-K605 WeakPolarHBondContact CA-O 3.23Å; Q602-K605 PolarHBondContact N-O 3.21Å; Q602-K605 VanDerWaalsContact O-CB 3.31Å; Q602-K605 WeakPolarHBondContact O-CB 3.38Å; Q602-K605 PolarHBondContact O-N 3.49Å; G603-K605 VanDerWaalsContact C-N 3.29Å; K605-T917 WeakPolarHBondContact O-CG2 3.38Å; K605-I950 CarbonylContact C-O 3.54Å; K605-I950 WeakPolarHBondContact CA-O 3.1Å; K605-N951 HydrophobicContact CG-CB 4.32Å |
| 606 | G | 97.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 7% | 0.072 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 156.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G600 I950 | G600-G606 VanDerWaalsContact O-CA 3.24Å; G600-G606 WeakPolarHBondContact O-CA 3.49Å; G606-I950 PolarHBondContact N-O 3.39Å; G606-I950 PolarHBondContact O-N 3.16Å |
| 607 | N | 98 | Very high | 97.4 | Very high | 52 Ų | 52 | 24.8 Ų | 24.8 | 28% | 0.278 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 152.7 | 177.8 | 70.5 | -69.4 | 0 | 0 | 0 | 112 | S599 G600 S948 F949 | S599-N607 WeakPolarHBondContact CA-O 3.23Å; G600-N607 WeakPolarHBondContact CA-OD1 3.35Å; G600-N607 PolarHBondContact N-O 3.35Å; G600-N607 PolarHBondContact O-N 3.12Å; G600-N607 PolarHBondContact O-OD1 3.21Å; N607-S948 CarbonylContact C-O 3.51Å; N607-S948 WeakPolarHBondContact CA-O 3.32Å; N607-F949 HydrophobicContact CB-CD1 4.07Å; N607-F949 HydrophobicContact CB-CE1 4.41Å |
| 608 | V | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.8 | 169.9 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | E598 V921 L924 A925 E928 N947 S948 | E598-V608 WeakPolarHBondContact O-CA 3.32Å; V608-V921 HydrophobicContact CG2-CG1 3.84Å; V608-V921 WeakPolarHBondContact CG2-O 3.39Å; V608-L924 HydrophobicContact CG2-CB 3.88Å; V608-A925 HydrophobicContact CG1-CB 4.1Å; V608-A925 HydrophobicContact CG2-CB 4.19Å; V608-E928 HydrophobicContact CG1-CG 4.32Å; V608-N947 CarbonylContact O-C 3.49Å; V608-N947 VanDerWaalsContact O-CA 3.29Å; V608-N947 WeakPolarHBondContact O-CA 3.45Å; V608-S948 PolarHBondContact N-O 2.78Å; V608-S948 PolarHBondContact O-N 2.91Å |
| 609 | Q | 98.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 25.8 Ų | 25.8 | 9% | 0.089 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.1 | 173.7 | 179.3 | 176.4 | 5.2 | 0 | 0 | 109.4 | E598 V611 N947 | E598-Q609 HydrophobicContact CB-CB 4.28Å; E598-Q609 PolarHBondContact N-O 2.86Å; E598-Q609 PolarHBondContact O-N 3.43Å; Q609-V611 HydrophobicContact CG-CG2 4.39Å; Q609-N947 WeakPolarHBondContact CA-OD1 3.23Å |
| 610 | V | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.7 | 172.9 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | L597 V932 F945 N947 P962 | L597-V610 HydrophobicContact CD2-CB 4.27Å; L597-V610 HydrophobicContact CD2-CG2 4Å; V610-V932 HydrophobicContact CG2-CG2 4.06Å; V610-F945 HydrophobicContact CB-CD1 4.41Å; V610-F945 HydrophobicContact CG1-CB 3.78Å; V610-F945 HydrophobicContact CG1-CD1 3.85Å; V610-F945 HydrophobicContact CG1-CG 4.09Å; V610-F945 HydrophobicContact CG2-CD1 3.84Å; V610-F945 HydrophobicContact CG2-CE1 4.04Å; V610-N947 PolarHBondContact N-OD1 2.79Å; V610-P962 HydrophobicContact CG1-CB 4.48Å; V610-P962 HydrophobicContact CG1-CG 3.54Å |
| 611 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.6 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 107.2 | P595 L596 Q609 T616 W978 | P595-V611 CarbonylContact C-O 3.57Å; P595-V611 WeakPolarHBondContact CA-O 3.29Å; L596-V611 HydrophobicContact CB-CB 4.07Å; L596-V611 PolarHBondContact N-O 2.64Å; L596-V611 PolarHBondContact O-N 2.67Å; Q609-V611 HydrophobicContact CG-CG2 4.39Å; V611-T616 WeakPolarHBondContact CA-OG1 3.47Å; V611-W978 HydrophobicContact CG1-CH2 3.7Å; V611-W978 HydrophobicContact CG1-CZ2 3.63Å |
| 612 | Y | 98 | Very high | 96.5 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | trans | -120.2 | 127.2 | -176.8 | -159 | -81.3 | 0 | 0 | 0 | 111.2 | P595 L615 T616 V932 A935 A936 P940 F945 | P595-Y612 HydrophobicContact CB-CD2 4.19Å; P595-Y612 HydrophobicContact CB-CE2 4.37Å; P595-Y612 HydrophobicContact CG-CD2 4.22Å; P595-Y612 HydrophobicContact CG-CE2 3.99Å; Y612-L615 HydrophobicContact CD1-CB 4.14Å; Y612-L615 HydrophobicContact CD1-CD2 4.32Å; Y612-L615 HydrophobicContact CG-CD2 4.48Å; Y612-L615 PolarHBondContact O-N 3.31Å; Y612-T616 PolarHBondContact N-OG1 2.94Å; Y612-T616 PolarHBondContact O-N 3.34Å; Y612-T616 VanDerWaalsContact O-N 3.1Å; Y612-T616 PolarHBondContact O-OG1 3.4Å; Y612-V932 HydrophobicContact CD2-CG1 4.41Å; Y612-V932 HydrophobicContact CD2-CG2 4.29Å; Y612-V932 HydrophobicContact CE2-CB 4.43Å; Y612-V932 HydrophobicContact CE2-CG1 4Å; Y612-A935 HydrophobicContact CE2-CB 3.7Å; Y612-A935 PolarHBondContact OH-O 2.8Å; Y612-A936 PolarHBondContact OH-N 2.87Å; Y612-P940 HydrophobicContact CD1-CB 4.16Å; Y612-P940 HydrophobicContact CD1-CG 4.28Å; Y612-P940 HydrophobicContact CE1-CB 3.8Å; Y612-P940 HydrophobicContact CE1-CG 3.89Å; Y612-F945 HydrophobicContact CD2-CE1 4.32Å; Y612-F945 HydrophobicContact CD2-CE2 4.4Å; Y612-F945 AromaticContact CD2-CZ 3.74Å; Y612-F945 HydrophobicContact CD2-CZ 3.74Å; Y612-F945 HydrophobicContact CE2-CZ 4.12Å; Y612-F945 HydrophobicContact CG-CZ 4.29Å | ||
| 613 | P | 97.2 | Very high | 95.9 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 138 | -177.8 | -27.8 | 33.9 | 0 | 0 | 0 | 113.9 | R593 P595 L615 W978 | R593-P613 VanDerWaalsContact C-CG 3.43Å; R593-P613 HydrophobicContact CB-CB 4.33Å; R593-P613 VanDerWaalsContact O-CG 3.23Å; R593-P613 WeakPolarHBondContact O-CG 3.42Å; P595-P613 HydrophobicContact CG-CG 4.36Å; P613-L615 PolarHBondContact O-N 3.35Å; P613-W978 HydrophobicContact CB-CD2 4.34Å; P613-W978 HydrophobicContact CB-CE3 3.93Å; P613-W978 HydrophobicContact CB-CH2 4.37Å; P613-W978 HydrophobicContact CB-CZ3 3.91Å; P613-W978 HydrophobicContact CG-CE3 4.44Å; P613-W978 HydrophobicContact CG-CH2 4.19Å; P613-W978 HydrophobicContact CG-CZ3 3.92Å |
| 614 | H | 95.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 40.3 Ų | 40.3 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 12.7 | 179 | -55.5 | -78.8 | 0 | 0 | 0 | 115.3 | R593 W978 D979 | R593-H614 WeakPolarHBondContact CD-NE2 3.42Å; R593-H614 PolarHBondContact NE-NE2 2.8Å; H614-W978 PolarHBondContact CE1-O 3.32Å; H614-W978 WeakPolarHBondContact ND1-CB 3.43Å; H614-D979 IonicContact CE1-OD1 3.65Å; H614-D979 IonicContact ND1-OD1 3.62Å |
| 615 | L | 96.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -59.4 | -177.3 | -173.3 | 70.5 | 0 | 0 | 0 | 111.7 | Y612 P613 P940 L942 F945 K964 A965 | Y612-L615 HydrophobicContact CD1-CB 4.14Å; Y612-L615 HydrophobicContact CD1-CD2 4.32Å; Y612-L615 HydrophobicContact CG-CD2 4.48Å; Y612-L615 PolarHBondContact O-N 3.31Å; P613-L615 PolarHBondContact O-N 3.35Å; L615-P940 HydrophobicContact CD2-CB 3.99Å; L615-P940 HydrophobicContact CD2-CG 4.35Å; L615-L942 HydrophobicContact CD1-CB 4.13Å; L615-L942 HydrophobicContact CD2-CB 4.39Å; L615-L942 HydrophobicContact CD2-CD1 4.07Å; L615-L942 HydrophobicContact CG-CB 4.4Å; L615-L942 HydrophobicContact CG-CD1 3.97Å; L615-F945 HydrophobicContact CD2-CD2 4.03Å; L615-F945 HydrophobicContact CD2-CE2 3.9Å; L615-K964 WeakPolarHBondContact O-CA 3.39Å; L615-A965 PolarHBondContact O-N 3.14Å |
| 616 | T | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 164.9 | -172.9 | 72.2 | 0 | 0 | 0 | 0 | 111.5 | V611 Y612 L942 P962 V963 A965 W978 | V611-T616 WeakPolarHBondContact CA-OG1 3.47Å; Y612-T616 PolarHBondContact N-OG1 2.94Å; Y612-T616 PolarHBondContact O-N 3.34Å; Y612-T616 VanDerWaalsContact O-N 3.1Å; Y612-T616 PolarHBondContact O-OG1 3.4Å; T616-L942 HydrophobicContact CG2-CD1 3.86Å; T616-P962 HydrophobicContact CG2-CB 3.7Å; T616-P962 HydrophobicContact CG2-CG 4.32Å; T616-V963 CarbonylContact C-O 3.52Å; T616-V963 VanDerWaalsContact CA-O 3.25Å; T616-V963 WeakPolarHBondContact CA-O 3.4Å; T616-A965 WeakPolarHBondContact O-CB 3.48Å; T616-W978 PolarHBondContact O-NE1 3.28Å |
| 617 | E | 97.2 | Very high | 92.6 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 166.4 | 160.6 | 74.5 | 179.5 | -179.6 | 0 | 0 | 111.7 | V963 | E617-V963 HydrophobicContact CG-CB 4.01Å; E617-V963 PolarHBondContact N-O 3.02Å |
| 618 | S | 97.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 167.8 | 173.2 | 91.1 | 0 | 0 | 0 | 0 | 110.9 | D586 S620 S621 | D586-S618 VanDerWaalsContact OD1-CB 3.31Å; D586-S618 WeakPolarHBondContact OD1-CB 3.3Å; D586-S618 VanDerWaalsContact OD2-CB 3.31Å; D586-S618 WeakPolarHBondContact OD2-CB 3.37Å; D586-S618 PolarHBondContact OD2-OG 2.73Å; S618-S620 VanDerWaalsContact C-N 3.26Å; S618-S620 PolarHBondContact O-N 3.48Å; S618-S620 PolarHBondContact OG-N 3.42Å; S618-S621 PolarHBondContact N-OG 3.13Å; S618-S621 VanDerWaalsContact N-OG 3.13Å; S618-S621 VanDerWaalsContact O-CB 3.3Å; S618-S621 WeakPolarHBondContact O-CB 3.45Å; S618-S621 PolarHBondContact O-N 3.45Å; S618-S621 VanDerWaalsContact O-N 3.12Å; S618-S621 PolarHBondContact O-OG 2.85Å; S618-S621 PolarHBondContact OG-OG 3.29Å |
| 619 | Y | 96.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 69.1 Ų | 69.1 | 7% | 0.071 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -57 | -43.3 | 174.3 | 172.2 | -101.5 | 0 | 0 | 0 | 111 | R582 D586 E598 S621 S622 D624 | R582-Y619 HydrophobicContact CB-CD1 4.09Å; R582-Y619 HydrophobicContact CB-CE1 3.6Å; D586-Y619 HydrophobicContact CB-CD1 4.43Å; D586-Y619 WeakPolarHBondContact OD1-CB 3.46Å; D586-Y619 PolarHBondContact OD1-N 3.13Å; D586-Y619 PolarHBondContact OD2-N 3.12Å; E598-Y619 HydrophobicContact CG-CD2 3.88Å; E598-Y619 HydrophobicContact CG-CE2 4.17Å; Y619-S621 PolarHBondContact O-N 2.99Å; Y619-S621 VanDerWaalsContact O-N 3.13Å; Y619-S622 PolarHBondContact O-OG 2.89Å; Y619-D624 PolarHBondContact OH-OD2 3.31Å |
| 620 | S | 95.3 | Very high | 89.6 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -72.6 | -1.3 | -179.4 | -41.5 | 0 | 0 | 0 | 0 | 114.8 | D586 S618 S622 | D586-S620 VanDerWaalsContact OD2-CB 3.29Å; D586-S620 WeakPolarHBondContact OD2-CB 3.49Å; D586-S620 PolarHBondContact OD2-N 3.22Å; D586-S620 PolarHBondContact OD2-OG 2.88Å; S618-S620 VanDerWaalsContact C-N 3.26Å; S618-S620 PolarHBondContact O-N 3.48Å; S618-S620 PolarHBondContact OG-N 3.42Å; S620-S622 VanDerWaalsContact C-N 3.34Å |
| 621 | S | 92.7 | Very high | 88.9 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -77.9 | -22.3 | 179.2 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | S618 Y619 | S618-S621 PolarHBondContact N-OG 3.13Å; S618-S621 VanDerWaalsContact N-OG 3.13Å; S618-S621 VanDerWaalsContact O-CB 3.3Å; S618-S621 WeakPolarHBondContact O-CB 3.45Å; S618-S621 PolarHBondContact O-N 3.45Å; S618-S621 VanDerWaalsContact O-N 3.12Å; S618-S621 PolarHBondContact O-OG 2.85Å; S618-S621 PolarHBondContact OG-OG 3.29Å; Y619-S621 PolarHBondContact O-N 2.99Å; Y619-S621 VanDerWaalsContact O-N 3.13Å |
| 622 | S | 87.5 | Confident | 88 | Confident | 55 Ų | 55 | 76 Ų | 76 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -106.8 | 150.7 | 173.4 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | Y619 S620 | Y619-S622 PolarHBondContact O-OG 2.89Å; S620-S622 VanDerWaalsContact C-N 3.34Å |
| 623 | Q | 82.6 | Confident | 87.4 | Confident | 195 Ų | 195 | 75.6 Ų | 75.6 | 91% | 0.911 | 41% | 0.406 | S | S | * | . | trans | -108.4 | 119.5 | 176.5 | -82.5 | -175.1 | -1.5 | 0 | 0 | 110.5 | ||||
| 624 | D | 81.2 | Confident | 87 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 149.2 | 166.2 | -74.1 | -43.6 | 0 | 0 | 0 | 110.6 | Y619 | Y619-D624 PolarHBondContact OH-OD2 3.31Š|
| 625 | P | 81.9 | Confident | 86.6 | Confident | 117 Ų | 117 | 72.4 Ų | 72.4 | 76% | 0.76 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 131.2 | 174.3 | -20.5 | 31 | 0 | 0 | 0 | 110.6 | ||
| 626 | P | 80 | Confident | 86.1 | Confident | 119 Ų | 119 | 77 Ų | 77 | 77% | 0.773 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 153.8 | 177.9 | 28 | -34.6 | 0 | 0 | 0 | 110.7 | R628 | P626-R628 PolarHBondContact O-N 3.41Š|
| 627 | E | 74.1 | Confident | 85.7 | Confident | 159 Ų | 159 | 78.6 Ų | 78.6 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -58 | 136.5 | 170.1 | -70 | -173.3 | 171 | 0 | 0 | 110.1 | S629 R909 | E627-S629 PolarHBondContact O-N 2.68Å; E627-S629 VanDerWaalsContact O-N 3.12Å; E627-R909 IonicContact OE2-NH1 3.98Å |
| 628 | R | 71.7 | Confident | 85.5 | Confident | 246 Ų | 246 | 77.3 Ų | 77.3 | 93% | 0.928 | 41% | 0.414 | S | S | * | . | trans | -70.8 | 108.9 | 175.1 | -69.3 | -175.6 | -177.4 | 173.7 | 2.7 | 109.2 | P626 | P626-R628 PolarHBondContact O-N 3.41Š| ||
| 629 | S | 76.8 | Confident | 85.4 | Confident | 106 Ų | 106 | 76.9 Ų | 76.9 | 74% | 0.741 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 137 | 169.3 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | E627 | E627-S629 PolarHBondContact O-N 2.68Å; E627-S629 VanDerWaalsContact O-N 3.12Å |
| 630 | I | 83 | Confident | 85.1 | Confident | 46 Ų | 46 | 78 Ų | 78 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 131.1 | 173.7 | -56.7 | 161.8 | 0 | 0 | 0 | 108.3 | I632 T634 L635 Q647 | I630-I632 PolarHBondContact O-N 2.89Å; I630-T634 HydrophobicContact CG2-CG2 4.05Å; I630-L635 HydrophobicContact CB-CD1 4.15Å; I630-L635 HydrophobicContact CB-CD2 3.97Å; I630-L635 HydrophobicContact CB-CG 3.94Å; I630-L635 HydrophobicContact CD1-CD2 3.92Å; I630-L635 HydrophobicContact CG2-CD1 4.41Å; I630-L635 HydrophobicContact CG2-CD2 3.69Å; I630-L635 HydrophobicContact CG2-CG 3.67Å; I630-Q647 HydrophobicContact CD1-CB 4.13Å |
| 631 | P | 84.1 | Confident | 84.9 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 29% | 0.292 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 139.6 | 178.3 | -26.6 | 34.4 | 0 | 0 | 0 | 112.5 | C633 T634 L635 | P631-C633 VanDerWaalsContact C-N 3.29Å; P631-C633 PolarHBondContact O-N 2.97Å; P631-T634 WeakPolarHBondContact O-CB 3.23Å; P631-T634 PolarHBondContact O-N 3.5Å; P631-T634 VanDerWaalsContact O-N 3.1Å; P631-L635 PolarHBondContact O-N 3.39Å; P631-L635 VanDerWaalsContact O-N 3.09Å |
| 632 | I | 80.3 | Confident | 85 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | -174.6 | -63.9 | 171.2 | 0 | 0 | 0 | 111.9 | I630 T634 L635 K636 | I630-I632 PolarHBondContact O-N 2.89Å; I632-T634 VanDerWaalsContact C-N 3.34Å; I632-T634 PolarHBondContact O-N 3.08Å; I632-L635 PolarHBondContact O-N 3.23Å; I632-K636 HydrophobicContact CG2-CD 3.89Å; I632-K636 HydrophobicContact CG2-CG 4.16Å; I632-K636 WeakPolarHBondContact O-CB 3.21Å; I632-K636 WeakPolarHBondContact O-CG 3.43Å; I632-K636 PolarHBondContact O-N 3.28Å |
| 633 | C | 84.5 | Confident | 85.3 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 8% | 0.081 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 178.2 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | P631 N637 F638 | P631-C633 VanDerWaalsContact C-N 3.29Å; P631-C633 PolarHBondContact O-N 2.97Å; C633-N637 PolarHBondContact O-N 2.94Å; C633-F638 HydrophobicContact CB-CD2 4.5Å; C633-F638 PolarHBondContact O-N 3.49Å |
| 634 | T | 88.3 | Confident | 85.9 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 174.6 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | I630 P631 I632 F638 P639 H644 | I630-T634 HydrophobicContact CG2-CG2 4.05Å; P631-T634 WeakPolarHBondContact O-CB 3.23Å; P631-T634 PolarHBondContact O-N 3.5Å; P631-T634 VanDerWaalsContact O-N 3.1Å; I632-T634 VanDerWaalsContact C-N 3.34Å; I632-T634 PolarHBondContact O-N 3.08Å; T634-F638 WeakPolarHBondContact CG2-O 3.41Å; T634-F638 CarbonylContact O-C 3.54Å; T634-F638 PolarHBondContact O-N 3.14Å; T634-P639 VanDerWaalsContact O-N 3.07Å; T634-H644 VanDerWaalsContact CG2-CE1 3.42Å; T634-H644 WeakPolarHBondContact CG2-CE1 3.24Å; T634-H644 WeakPolarHBondContact CG2-ND1 3.47Å |
| 635 | L | 88.1 | Confident | 86.7 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 176.8 | -70.4 | 177 | 0 | 0 | 0 | 112.1 | I630 P631 I632 H644 Q647 R889 | I630-L635 HydrophobicContact CB-CD1 4.15Å; I630-L635 HydrophobicContact CB-CD2 3.97Å; I630-L635 HydrophobicContact CB-CG 3.94Å; I630-L635 HydrophobicContact CD1-CD2 3.92Å; I630-L635 HydrophobicContact CG2-CD1 4.41Å; I630-L635 HydrophobicContact CG2-CD2 3.69Å; I630-L635 HydrophobicContact CG2-CG 3.67Å; P631-L635 PolarHBondContact O-N 3.39Å; P631-L635 VanDerWaalsContact O-N 3.09Å; I632-L635 PolarHBondContact O-N 3.23Å; L635-H644 HydrophobicContact CD2-CB 4.35Å; L635-H644 WeakPolarHBondContact CD2-O 3.48Å; L635-Q647 HydrophobicContact CD1-CG 3.97Å; L635-Q647 HydrophobicContact CD2-CB 3.74Å; L635-Q647 HydrophobicContact CD2-CG 3.89Å; L635-R889 PolarHBondContact O-NH2 3.5Å |
| 636 | K | 86.4 | Confident | 87.4 | Confident | 126 Ų | 126 | 57.5 Ų | 57.5 | 55% | 0.548 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.1 | -39.6 | -173.9 | -75.4 | -170.6 | 177.2 | -176.5 | 0 | 114.2 | I632 R889 | I632-K636 HydrophobicContact CG2-CD 3.89Å; I632-K636 HydrophobicContact CG2-CG 4.16Å; I632-K636 WeakPolarHBondContact O-CB 3.21Å; I632-K636 WeakPolarHBondContact O-CG 3.43Å; I632-K636 PolarHBondContact O-N 3.28Å; K636-R889 PolarHBondContact O-NH2 3.1Å |
| 637 | N | 89.8 | Confident | 88.1 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | -27.8 | -166.9 | -54.9 | -50.6 | 0 | 0 | 0 | 115.1 | C633 P639 L727 I809 Y893 | C633-N637 PolarHBondContact O-N 2.94Å; N637-P639 VanDerWaalsContact C-CD 3.44Å; N637-L727 HydrophobicContact CB-CD1 4.27Å; N637-L727 HydrophobicContact CB-CD2 4.49Å; N637-I809 HydrophobicContact CB-CG2 4.33Å; N637-I809 WeakPolarHBondContact ND2-CG2 2.82Å; N637-Y893 WeakPolarHBondContact O-CE1 3.18Å; N637-Y893 PolarHBondContact O-OH 3.06Å |
| 638 | F | 93.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | trans | -129.9 | 55.7 | -170 | -47.6 | -68.2 | 0 | 0 | 0 | 113.4 | C633 T634 L727 F731 F743 W744 K748 | C633-F638 HydrophobicContact CB-CD2 4.5Å; C633-F638 PolarHBondContact O-N 3.49Å; T634-F638 WeakPolarHBondContact CG2-O 3.41Å; T634-F638 CarbonylContact O-C 3.54Å; T634-F638 PolarHBondContact O-N 3.14Å; F638-L727 HydrophobicContact CE1-CD1 4.38Å; F638-F731 HydrophobicContact CZ-CE2 4.28Å; F638-F743 HydrophobicContact CE1-CE1 4.12Å; F638-F743 HydrophobicContact CE1-CZ 4.02Å; F638-F743 HydrophobicContact CZ-CZ 4.17Å; F638-W744 HydrophobicContact CD1-CH2 4.21Å; F638-W744 AromaticContact CD1-CZ3 3.84Å; F638-W744 HydrophobicContact CD1-CZ3 3.84Å; F638-W744 AromaticContact CE1-CH2 3.95Å; F638-W744 HydrophobicContact CE1-CH2 3.95Å; F638-W744 AromaticContact CE1-CZ3 3.99Å; F638-W744 HydrophobicContact CE1-CZ3 3.99Å; F638-K748 HydrophobicContact CB-CG 4.41Å; F638-K748 HydrophobicContact CD1-CD 4.44Å; F638-K748 HydrophobicContact CD1-CG 4.33Å; F638-K748 HydrophobicContact CG-CG 4.39Å | ||
| 639 | P | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -66.5 | 147.1 | 174.4 | 31.3 | -36.5 | 0 | 0 | 0 | 110.7 | T634 N637 H644 T645 Y893 I895 | T634-P639 VanDerWaalsContact O-N 3.07Å; N637-P639 VanDerWaalsContact C-CD 3.44Å; P639-H644 HydrophobicContact CB-CB 3.73Å; P639-T645 HydrophobicContact CB-CG2 3.88Å; P639-T645 HydrophobicContact CG-CG2 4.25Å; P639-Y893 HydrophobicContact CG-CD1 3.89Å; P639-Y893 HydrophobicContact CG-CD2 3.55Å; P639-Y893 HydrophobicContact CG-CE1 4Å; P639-Y893 HydrophobicContact CG-CE2 3.67Å; P639-Y893 HydrophobicContact CG-CG 3.69Å; P639-I895 HydrophobicContact CB-CD1 4.02Å; P639-I895 HydrophobicContact CG-CD1 4.38Å | ||
| 640 | N | 90.8 | Very high | 91.3 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 21% | 0.214 | 16% | 0.162 | C | C | . | . | trans | -138.8 | -6 | 175.9 | 57.6 | 47 | 0 | 0 | 0 | 113.4 | H644 S747 R749 | N640-H644 PolarHBondContact N-ND1 3.27Å; N640-H644 PolarHBondContact OD1-CE1 3.26Å; N640-H644 PolarHBondContact OD1-ND1 2.93Å; N640-S747 WeakPolarHBondContact CB-O 3.41Å; N640-S747 PolarHBondContact ND2-O 3.32Å; N640-R749 HydrophobicContact CB-CG 4.25Å | ||
| 641 | A | 91.5 | Very high | 91.8 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -135.4 | 157.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E643 H644 | A641-E643 WeakPolarHBondContact CB-OE2 3.32Å; A641-E643 PolarHBondContact O-N 2.88Å; A641-H644 WeakPolarHBondContact O-CB 3.45Å; A641-H644 PolarHBondContact O-N 2.76Å; A641-H644 VanDerWaalsContact O-N 3.09Å |
| 642 | I | 94.3 | Very high | 92.4 | Very high | 23 Ų | 23 | 32 Ų | 32 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -29.3 | -176.3 | -165.7 | 53.8 | 0 | 0 | 0 | 111.6 | H644 T645 I646 A890 I895 E896 A898 | I642-H644 PolarHBondContact O-N 2.68Å; I642-T645 WeakPolarHBondContact CD1-OG1 3.39Å; I642-T645 PolarHBondContact O-N 2.87Å; I642-T645 PolarHBondContact O-OG1 2.91Å; I642-I646 HydrophobicContact CG1-CD1 3.98Å; I642-I646 HydrophobicContact CG1-CG1 4.42Å; I642-I646 VanDerWaalsContact O-CG1 3.24Å; I642-I646 WeakPolarHBondContact O-CG1 3.46Å; I642-I646 PolarHBondContact O-N 3.45Å; I642-A890 HydrophobicContact CD1-CB 3.94Å; I642-I895 HydrophobicContact CB-CG2 4.26Å; I642-E896 WeakPolarHBondContact CD1-O 3.44Å; I642-A898 HydrophobicContact CD1-CB 4.05Å; I642-A898 HydrophobicContact CG1-CB 3.52Å |
| 643 | E | 93.8 | Very high | 93.2 | Very high | 74 Ų | 74 | 28.4 Ų | 28.4 | 35% | 0.346 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.8 | -37.8 | 173.2 | -67.6 | 73.3 | -166.4 | 0 | 0 | 111.6 | A641 I646 Q647 I906 | A641-E643 WeakPolarHBondContact CB-OE2 3.32Å; A641-E643 PolarHBondContact O-N 2.88Å; E643-I646 PolarHBondContact O-N 3.2Å; E643-Q647 WeakPolarHBondContact O-CB 3.29Å; E643-Q647 PolarHBondContact O-N 2.85Å; E643-I906 HydrophobicContact CG-CD1 3.93Å |
| 644 | H | 94.8 | Very high | 93.7 | Very high | 28 Ų | 28 | 31 Ų | 31 | 13% | 0.13 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.3 | -40.7 | -179.3 | -55.2 | 171 | 0 | 0 | 0 | 111 | T634 L635 P639 N640 A641 I642 W648 | T634-H644 VanDerWaalsContact CG2-CE1 3.42Å; T634-H644 WeakPolarHBondContact CG2-CE1 3.24Å; T634-H644 WeakPolarHBondContact CG2-ND1 3.47Å; L635-H644 HydrophobicContact CD2-CB 4.35Å; L635-H644 WeakPolarHBondContact CD2-O 3.48Å; P639-H644 HydrophobicContact CB-CB 3.73Å; N640-H644 PolarHBondContact N-ND1 3.27Å; N640-H644 PolarHBondContact OD1-CE1 3.26Å; N640-H644 PolarHBondContact OD1-ND1 2.93Å; A641-H644 WeakPolarHBondContact O-CB 3.45Å; A641-H644 PolarHBondContact O-N 2.76Å; A641-H644 VanDerWaalsContact O-N 3.09Å; I642-H644 PolarHBondContact O-N 2.68Å; H644-W648 VanDerWaalsContact O-CB 3.32Å; H644-W648 WeakPolarHBondContact O-CB 3.21Å; H644-W648 PolarHBondContact O-N 2.85Å |
| 645 | T | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75 | -31.1 | 179.2 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | P639 I642 A649 S886 R889 A890 I895 | P639-T645 HydrophobicContact CB-CG2 3.88Å; P639-T645 HydrophobicContact CG-CG2 4.25Å; I642-T645 WeakPolarHBondContact CD1-OG1 3.39Å; I642-T645 PolarHBondContact O-N 2.87Å; I642-T645 PolarHBondContact O-OG1 2.91Å; T645-A649 VanDerWaalsContact O-CB 3.28Å; T645-A649 WeakPolarHBondContact O-CB 3.5Å; T645-A649 PolarHBondContact O-N 3.22Å; T645-S886 PolarHBondContact OG1-OG 2.83Å; T645-R889 HydrophobicContact CG2-CB 4.16Å; T645-R889 HydrophobicContact CG2-CG 3.85Å; T645-A890 HydrophobicContact CG2-CB 4.48Å; T645-I895 HydrophobicContact CG2-CD1 3.99Å |
| 646 | I | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -48 | 174.1 | -67.3 | 165.4 | 0 | 0 | 0 | 110.9 | I642 E643 W648 A649 R650 V882 S886 A898 T903 I906 A907 | I642-I646 HydrophobicContact CG1-CD1 3.98Å; I642-I646 HydrophobicContact CG1-CG1 4.42Å; I642-I646 VanDerWaalsContact O-CG1 3.24Å; I642-I646 WeakPolarHBondContact O-CG1 3.46Å; I642-I646 PolarHBondContact O-N 3.45Å; E643-I646 PolarHBondContact O-N 3.2Å; I646-W648 VanDerWaalsContact C-N 3.3Å; I646-W648 PolarHBondContact O-N 2.77Å; I646-A649 WeakPolarHBondContact O-CB 3.47Å; I646-A649 PolarHBondContact O-N 2.69Å; I646-A649 VanDerWaalsContact O-N 3.12Å; I646-R650 PolarHBondContact O-N 2.58Å; I646-V882 HydrophobicContact CG2-CG1 4.45Å; I646-S886 WeakPolarHBondContact CG1-OG 3.29Å; I646-S886 PolarHBondContact N-OG 3.19Å; I646-A898 HydrophobicContact CD1-CB 4.31Å; I646-T903 HydrophobicContact CD1-CG2 4.38Å; I646-T903 HydrophobicContact CG1-CG2 4.12Å; I646-T903 HydrophobicContact CG2-CG2 4.16Å; I646-I906 HydrophobicContact CB-CG2 4.01Å; I646-I906 HydrophobicContact CD1-CB 4.02Å; I646-I906 HydrophobicContact CD1-CD1 3.5Å; I646-I906 HydrophobicContact CD1-CG1 4.33Å; I646-I906 HydrophobicContact CD1-CG2 4.24Å; I646-I906 HydrophobicContact CG2-CB 3.97Å; I646-I906 HydrophobicContact CG2-CG2 3.69Å; I646-A907 HydrophobicContact CG2-CB 3.68Å |
| 647 | Q | 94.7 | Very high | 94.8 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 17% | 0.173 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 176.2 | -176.6 | 60.6 | 55.4 | 0 | 0 | 110.8 | I630 L635 E643 A649 R650 D651 | I630-Q647 HydrophobicContact CD1-CB 4.13Å; L635-Q647 HydrophobicContact CD1-CG 3.97Å; L635-Q647 HydrophobicContact CD2-CB 3.74Å; L635-Q647 HydrophobicContact CD2-CG 3.89Å; E643-Q647 WeakPolarHBondContact O-CB 3.29Å; E643-Q647 PolarHBondContact O-N 2.85Å; Q647-A649 VanDerWaalsContact C-N 3.33Å; Q647-A649 PolarHBondContact O-N 2.86Å; Q647-R650 WeakPolarHBondContact O-CB 3.47Å; Q647-R650 PolarHBondContact O-N 2.96Å; Q647-D651 PolarHBondContact NE2-OD1 3.29Å; Q647-D651 VanDerWaalsContact O-CG 3.29Å; Q647-D651 PolarHBondContact O-N 2.64Å |
| 648 | W | 96.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 23.8 Ų | 23.8 | 12% | 0.117 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 172 | 173.1 | 84.9 | 0 | 0 | 0 | 112.7 | H644 I646 R650 D651 L652 C719 F720 A885 R889 | H644-W648 VanDerWaalsContact O-CB 3.32Å; H644-W648 WeakPolarHBondContact O-CB 3.21Å; H644-W648 PolarHBondContact O-N 2.85Å; I646-W648 VanDerWaalsContact C-N 3.3Å; I646-W648 PolarHBondContact O-N 2.77Å; W648-R650 VanDerWaalsContact C-N 3.3Å; W648-R650 PolarHBondContact O-N 3.3Å; W648-D651 PolarHBondContact O-N 3.31Å; W648-L652 HydrophobicContact CH2-CD1 4.26Å; W648-L652 HydrophobicContact CH2-CD2 3.57Å; W648-L652 HydrophobicContact CH2-CG 4.4Å; W648-L652 HydrophobicContact CZ2-CD1 3.88Å; W648-L652 HydrophobicContact CZ2-CD2 4.05Å; W648-L652 HydrophobicContact CZ2-CG 4.42Å; W648-L652 HydrophobicContact CZ3-CD2 3.86Å; W648-L652 WeakPolarHBondContact O-CB 3.42Å; W648-L652 PolarHBondContact O-N 3Å; W648-C719 HydrophobicContact CH2-CB 4.23Å; W648-F720 AromaticContact CH2-CE1 3.74Å; W648-F720 HydrophobicContact CH2-CE1 3.74Å; W648-F720 HydrophobicContact CH2-CZ 4.15Å; W648-F720 AromaticContact CZ3-CE1 3.94Å; W648-F720 HydrophobicContact CZ3-CE1 3.94Å; W648-F720 HydrophobicContact CZ3-CZ 4.38Å; W648-A885 HydrophobicContact CZ3-CB 4.32Å; W648-R889 VanDerWaalsContact CD1-CZ 3.46Å; W648-R889 HydrophobicContact CE3-CB 4.13Å; W648-R889 HydrophobicContact CE3-CG 4.29Å; W648-R889 HydrophobicContact CZ3-CB 3.91Å; W648-R889 HydrophobicContact CZ3-CG 4.37Å |
| 649 | A | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.5 | -32.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T645 I646 Q647 L652 F653 V882 A885 | T645-A649 VanDerWaalsContact O-CB 3.28Å; T645-A649 WeakPolarHBondContact O-CB 3.5Å; T645-A649 PolarHBondContact O-N 3.22Å; I646-A649 WeakPolarHBondContact O-CB 3.47Å; I646-A649 PolarHBondContact O-N 2.69Å; I646-A649 VanDerWaalsContact O-N 3.12Å; Q647-A649 VanDerWaalsContact C-N 3.33Å; Q647-A649 PolarHBondContact O-N 2.86Å; A649-L652 WeakPolarHBondContact O-CB 3.49Å; A649-L652 PolarHBondContact O-N 2.62Å; A649-F653 PolarHBondContact O-N 2.77Å; A649-V882 HydrophobicContact CB-CG1 3.95Å; A649-V882 WeakPolarHBondContact CB-O 3.32Å; A649-A885 HydrophobicContact CB-CB 3.82Å |
| 650 | R | 95.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 27 Ų | 27 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -49.4 | 171 | -171.3 | 80.4 | -168.7 | 93.6 | 21.7 | 111.1 | I646 Q647 W648 L652 F653 E654 F869 | I646-R650 PolarHBondContact O-N 2.58Å; Q647-R650 WeakPolarHBondContact O-CB 3.47Å; Q647-R650 PolarHBondContact O-N 2.96Å; W648-R650 VanDerWaalsContact C-N 3.3Å; W648-R650 PolarHBondContact O-N 3.3Å; R650-L652 VanDerWaalsContact C-N 3.25Å; R650-L652 PolarHBondContact O-N 3Å; R650-F653 WeakPolarHBondContact O-CB 3.36Å; R650-F653 PolarHBondContact O-N 3.35Å; R650-F653 VanDerWaalsContact O-N 3.13Å; R650-E654 IonicContact CZ-OE1 3.8Å; R650-E654 IonicContact NE-OE1 3.66Å; R650-E654 IonicContact NH2-OE1 3.76Å; R650-E654 PolarHBondContact NH2-OE1 2.92Å; R650-E654 PolarHBondContact O-N 2.87Å; R650-E654 VanDerWaalsContact O-N 3.12Å; R650-F869 VanDerWaalsContact NH2-CD1 3.32Å; R650-F869 VanDerWaalsContact NH2-CG 3.29Å |
| 651 | D | 94.5 | Very high | 95.3 | Very high | 69 Ų | 69 | 25 Ų | 25 | 37% | 0.369 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 176.4 | -61.1 | -2.6 | 0 | 0 | 0 | 111.1 | Q647 W648 F653 G655 | Q647-D651 PolarHBondContact NE2-OD1 3.29Å; Q647-D651 VanDerWaalsContact O-CG 3.29Å; Q647-D651 PolarHBondContact O-N 2.64Å; W648-D651 PolarHBondContact O-N 3.31Å; D651-F653 VanDerWaalsContact C-N 3.35Å; D651-G655 PolarHBondContact O-N 3.46Å |
| 652 | L | 96 | Very high | 95.4 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 9% | 0.094 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 175.4 | -167 | 76.2 | 0 | 0 | 0 | 111.9 | W648 A649 R650 A656 Y715 F881 A885 | W648-L652 HydrophobicContact CH2-CD1 4.26Å; W648-L652 HydrophobicContact CH2-CD2 3.57Å; W648-L652 HydrophobicContact CH2-CG 4.4Å; W648-L652 HydrophobicContact CZ2-CD1 3.88Å; W648-L652 HydrophobicContact CZ2-CD2 4.05Å; W648-L652 HydrophobicContact CZ2-CG 4.42Å; W648-L652 HydrophobicContact CZ3-CD2 3.86Å; W648-L652 WeakPolarHBondContact O-CB 3.42Å; W648-L652 PolarHBondContact O-N 3Å; A649-L652 WeakPolarHBondContact O-CB 3.49Å; A649-L652 PolarHBondContact O-N 2.62Å; R650-L652 VanDerWaalsContact C-N 3.25Å; R650-L652 PolarHBondContact O-N 3Å; L652-A656 WeakPolarHBondContact O-CB 3.4Å; L652-A656 PolarHBondContact O-N 3.02Å; L652-A656 VanDerWaalsContact O-N 3.09Å; L652-Y715 HydrophobicContact CD1-CE1 4.18Å; L652-Y715 WeakPolarHBondContact CD1-OH 3.34Å; L652-Y715 HydrophobicContact CD2-CE1 4.18Å; L652-Y715 HydrophobicContact CG-CE1 4.12Å; L652-F881 HydrophobicContact CD2-CE1 4.31Å; L652-F881 HydrophobicContact CD2-CZ 3.88Å; L652-F881 HydrophobicContact CG-CE1 4.49Å; L652-F881 HydrophobicContact CG-CZ 4.19Å; L652-A885 HydrophobicContact CD2-CB 4.17Å |
| 653 | F | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -54 | 175.8 | 176.5 | -82.3 | 0 | 0 | 0 | 110.4 | A649 R650 D651 G655 A656 F657 L773 I867 F869 H878 F881 V882 | A649-F653 PolarHBondContact O-N 2.77Å; R650-F653 WeakPolarHBondContact O-CB 3.36Å; R650-F653 PolarHBondContact O-N 3.35Å; R650-F653 VanDerWaalsContact O-N 3.13Å; D651-F653 VanDerWaalsContact C-N 3.35Å; F653-G655 VanDerWaalsContact C-N 3.32Å; F653-G655 PolarHBondContact O-N 3.25Å; F653-A656 PolarHBondContact O-N 3.32Å; F653-A656 VanDerWaalsContact O-N 3.12Å; F653-F657 AromaticContact CD2-CD2 3.71Å; F653-F657 HydrophobicContact CD2-CD2 3.71Å; F653-F657 HydrophobicContact CD2-CE2 4.04Å; F653-F657 HydrophobicContact CE2-CD2 4Å; F653-F657 HydrophobicContact CG-CD2 4.02Å; F653-F657 VanDerWaalsContact O-CD2 3.27Å; F653-F657 WeakPolarHBondContact O-CD2 3.31Å; F653-F657 PolarHBondContact O-N 3.02Å; F653-L773 HydrophobicContact CD2-CD1 4.12Å; F653-L773 HydrophobicContact CE2-CD1 3.71Å; F653-L773 HydrophobicContact CE2-CD2 4.41Å; F653-I867 HydrophobicContact CE1-CG2 4.4Å; F653-I867 HydrophobicContact CZ-CB 4.42Å; F653-I867 HydrophobicContact CZ-CG2 3.73Å; F653-F869 HydrophobicContact CD1-CB 4.42Å; F653-F869 HydrophobicContact CD1-CD2 4.27Å; F653-F869 HydrophobicContact CE1-CB 3.87Å; F653-F869 HydrophobicContact CE1-CD2 4.02Å; F653-F869 HydrophobicContact CE1-CG 4.45Å; F653-F869 HydrophobicContact CE2-CD2 4.44Å; F653-F869 HydrophobicContact CZ-CB 4.47Å; F653-F869 HydrophobicContact CZ-CD2 4.09Å; F653-H878 HydrophobicContact CE2-CB 3.97Å; F653-H878 AromaticContact CE2-CD2 3.82Å; F653-H878 AromaticContact CE2-CG 3.89Å; F653-H878 HydrophobicContact CZ-CB 4.23Å; F653-H878 AromaticContact CZ-CD2 3.77Å; F653-H878 AromaticContact CZ-CG 3.78Å; F653-F881 HydrophobicContact CB-CD1 3.88Å; F653-F881 HydrophobicContact CB-CE1 3.74Å; F653-F881 AromaticContact CD2-CD1 3.69Å; F653-F881 HydrophobicContact CD2-CD1 3.69Å; F653-F881 HydrophobicContact CD2-CE1 4.26Å; F653-F881 HydrophobicContact CD2-CG 4.29Å; F653-F881 HydrophobicContact CG-CD1 4.29Å; F653-F881 HydrophobicContact CG-CE1 4.5Å; F653-V882 HydrophobicContact CB-CG2 4.22Å; F653-V882 HydrophobicContact CD2-CG2 4.43Å |
| 654 | E | 95.5 | Very high | 95.2 | Very high | 65 Ų | 65 | 24.7 Ų | 24.7 | 30% | 0.304 | 13% | 0.13 | S | C | . | . | I | π-helix | trans | -62.4 | -41.8 | -179.1 | -69.2 | 177.6 | -173.5 | 0 | 0 | 111.3 | R650 A656 T658 N659 | R650-E654 IonicContact CZ-OE1 3.8Å; R650-E654 IonicContact NE-OE1 3.66Å; R650-E654 IonicContact NH2-OE1 3.76Å; R650-E654 PolarHBondContact NH2-OE1 2.92Å; R650-E654 PolarHBondContact O-N 2.87Å; R650-E654 VanDerWaalsContact O-N 3.12Å; E654-A656 VanDerWaalsContact C-N 3.25Å; E654-A656 PolarHBondContact O-N 2.9Å; E654-T658 PolarHBondContact O-N 3.04Å; E654-T658 VanDerWaalsContact O-N 3.09Å; E654-N659 PolarHBondContact O-N 2.91Å |
| 655 | G | 93.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 23.8 Ų | 23.8 | 39% | 0.392 | 13% | 0.126 | S | C | . | . | I | π-helix | trans | -68.6 | -16.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | D651 F653 P660 | D651-G655 PolarHBondContact O-N 3.46Å; F653-G655 VanDerWaalsContact C-N 3.32Å; F653-G655 PolarHBondContact O-N 3.25Å; G655-P660 WeakPolarHBondContact O-CD 3.11Å; G655-P660 WeakPolarHBondContact O-CG 3.31Å |
| 656 | A | 95.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -100.9 | -35.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L652 F653 E654 W711 Y715 R774 | L652-A656 WeakPolarHBondContact O-CB 3.4Å; L652-A656 PolarHBondContact O-N 3.02Å; L652-A656 VanDerWaalsContact O-N 3.09Å; F653-A656 PolarHBondContact O-N 3.32Å; F653-A656 VanDerWaalsContact O-N 3.12Å; E654-A656 VanDerWaalsContact C-N 3.25Å; E654-A656 PolarHBondContact O-N 2.9Å; A656-W711 HydrophobicContact CB-CH2 4.24Å; A656-Y715 HydrophobicContact CB-CE1 4.37Å; A656-R774 PolarHBondContact O-NH1 3.49Å |
| 657 | F | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -123.5 | -20.9 | -165.9 | -49.1 | -60.8 | 0 | 0 | 0 | 114.9 | F653 W711 A770 L773 R774 I867 F881 | F653-F657 AromaticContact CD2-CD2 3.71Å; F653-F657 HydrophobicContact CD2-CD2 3.71Å; F653-F657 HydrophobicContact CD2-CE2 4.04Å; F653-F657 HydrophobicContact CE2-CD2 4Å; F653-F657 HydrophobicContact CG-CD2 4.02Å; F653-F657 VanDerWaalsContact O-CD2 3.27Å; F653-F657 WeakPolarHBondContact O-CD2 3.31Å; F653-F657 PolarHBondContact O-N 3.02Å; F657-W711 AromaticContact CE1-CH2 3.94Å; F657-W711 HydrophobicContact CE1-CH2 3.94Å; F657-W711 HydrophobicContact CE1-CZ3 4.01Å; F657-W711 HydrophobicContact CZ-CH2 4.29Å; F657-W711 HydrophobicContact CZ-CZ3 4.37Å; F657-A770 HydrophobicContact CZ-CB 4.45Å; F657-L773 HydrophobicContact CD1-CB 3.85Å; F657-L773 HydrophobicContact CD2-CB 4.26Å; F657-L773 HydrophobicContact CD2-CD1 3.98Å; F657-L773 HydrophobicContact CE1-CB 3.7Å; F657-L773 HydrophobicContact CE2-CB 4.13Å; F657-L773 HydrophobicContact CE2-CD1 3.61Å; F657-L773 HydrophobicContact CG-CB 4.14Å; F657-L773 HydrophobicContact CZ-CB 3.86Å; F657-L773 HydrophobicContact CZ-CD1 3.99Å; F657-R774 HydrophobicContact CE1-CB 4.39Å; F657-I867 HydrophobicContact CB-CB 4.12Å; F657-I867 HydrophobicContact CB-CD1 4.17Å; F657-I867 HydrophobicContact CB-CG1 4.3Å; F657-I867 PolarHBondContact O-N 2.7Å; F657-F881 HydrophobicContact CE2-CD1 4.11Å; F657-F881 AromaticContact CE2-CD2 3.86Å; F657-F881 HydrophobicContact CE2-CD2 3.86Å; F657-F881 AromaticContact CE2-CE1 3.89Å; F657-F881 HydrophobicContact CE2-CE1 3.89Å; F657-F881 AromaticContact CE2-CE2 3.61Å; F657-F881 HydrophobicContact CE2-CE2 3.61Å; F657-F881 HydrophobicContact CE2-CG 4.09Å; F657-F881 AromaticContact CE2-CZ 3.62Å; F657-F881 HydrophobicContact CE2-CZ 3.62Å; F657-F881 HydrophobicContact CZ-CD2 4.05Å; F657-F881 AromaticContact CZ-CE2 3.69Å; F657-F881 HydrophobicContact CZ-CE2 3.69Å; F657-F881 HydrophobicContact CZ-CZ 4.06Å |
| 658 | T | 96.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 27 Ų | 27 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -105.9 | -70.3 | -176.5 | -41.8 | 0 | 0 | 0 | 0 | 110.1 | E654 A661 E662 I867 | E654-T658 PolarHBondContact O-N 3.04Å; E654-T658 VanDerWaalsContact O-N 3.09Å; T658-A661 PolarHBondContact O-N 3.25Å; T658-E662 PolarHBondContact O-N 3.31Å; T658-I867 PolarHBondContact OG1-O 2.79Å |
| 659 | N | 93.7 | Very high | 94.2 | Very high | 64 Ų | 64 | 32.8 Ų | 32.8 | 34% | 0.342 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.1 | -45.3 | -170.7 | -57.1 | -15.7 | 0 | 0 | 0 | 112.4 | E654 A661 E662 M663 | E654-N659 PolarHBondContact O-N 2.91Å; N659-A661 VanDerWaalsContact C-N 3.32Å; N659-A661 PolarHBondContact O-N 3.34Å; N659-E662 PolarHBondContact O-N 3.47Å; N659-M663 HydrophobicContact CB-CE 3.98Å; N659-M663 WeakPolarHBondContact O-CB 3.3Å; N659-M663 VanDerWaalsContact O-CE 3.27Å; N659-M663 WeakPolarHBondContact O-CE 3.49Å; N659-M663 VanDerWaalsContact O-CG 3.26Å; N659-M663 WeakPolarHBondContact O-CG 3.39Å; N659-M663 PolarHBondContact O-N 3.46Å |
| 660 | P | 92.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 179.8 | -17.6 | 31.2 | 0 | 0 | 0 | 113.3 | G655 A664 V696 | G655-P660 WeakPolarHBondContact O-CD 3.11Å; G655-P660 WeakPolarHBondContact O-CG 3.31Å; P660-A664 VanDerWaalsContact O-CB 3.23Å; P660-A664 WeakPolarHBondContact O-CB 3.45Å; P660-A664 PolarHBondContact O-N 2.92Å; P660-V696 HydrophobicContact CB-CG2 3.69Å |
| 661 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T658 N659 A664 N665 M777 L864 P866 | T658-A661 PolarHBondContact O-N 3.25Å; N659-A661 VanDerWaalsContact C-N 3.32Å; N659-A661 PolarHBondContact O-N 3.34Å; A661-A664 PolarHBondContact O-N 2.89Å; A661-N665 VanDerWaalsContact O-CB 3.32Å; A661-N665 WeakPolarHBondContact O-CB 3.33Å; A661-N665 PolarHBondContact O-N 3.48Å; A661-N665 PolarHBondContact O-ND2 2.84Å; A661-M777 HydrophobicContact CB-CG 3.93Å; A661-M777 HydrophobicContact CB-SD 4.06Å; A661-L864 HydrophobicContact CB-CB 3.94Å; A661-L864 HydrophobicContact CB-CD1 4.4Å; A661-P866 HydrophobicContact CB-CB 4.06Å; A661-P866 HydrophobicContact CB-CG 3.88Å |
| 662 | E | 94.4 | Very high | 93.2 | Very high | 76 Ų | 76 | 43.8 Ų | 43.8 | 36% | 0.355 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 174.9 | -69.1 | -173.7 | 154.1 | 0 | 0 | 111.9 | T658 N659 A664 N665 Q666 P866 | T658-E662 PolarHBondContact O-N 3.31Å; N659-E662 PolarHBondContact O-N 3.47Å; E662-A664 VanDerWaalsContact C-N 3.34Å; E662-A664 PolarHBondContact O-N 2.65Å; E662-N665 PolarHBondContact O-N 2.78Å; E662-Q666 WeakPolarHBondContact O-CG 3.37Å; E662-Q666 PolarHBondContact O-N 3Å; E662-P866 HydrophobicContact CG-CB 3.76Å; E662-P866 HydrophobicContact CG-CG 3.69Å |
| 663 | M | 91.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 179 | -72.9 | -173.8 | -79 | 0 | 0 | 111.6 | N659 Q666 F667 F674 M689 V693 | N659-M663 HydrophobicContact CB-CE 3.98Å; N659-M663 WeakPolarHBondContact O-CB 3.3Å; N659-M663 VanDerWaalsContact O-CE 3.27Å; N659-M663 WeakPolarHBondContact O-CE 3.49Å; N659-M663 VanDerWaalsContact O-CG 3.26Å; N659-M663 WeakPolarHBondContact O-CG 3.39Å; N659-M663 PolarHBondContact O-N 3.46Å; M663-Q666 PolarHBondContact O-N 3.39Å; M663-F667 PolarHBondContact O-N 3.43Å; M663-F667 VanDerWaalsContact O-N 3.12Å; M663-F674 WeakPolarHBondContact O-CE2 3.36Å; M663-M689 HydrophobicContact CB-CE 4.49Å; M663-M689 HydrophobicContact CG-CE 3.77Å; M663-M689 HydrophobicContact SD-CE 3.64Å; M663-M689 HydrophobicContact SD-CG 3.84Å; M663-M689 HydrophobicContact SD-SD 4.49Å; M663-V693 HydrophobicContact CB-CG2 4.07Å |
| 664 | A | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P660 A661 E662 F667 L668 V696 L697 L864 | P660-A664 VanDerWaalsContact O-CB 3.23Å; P660-A664 WeakPolarHBondContact O-CB 3.45Å; P660-A664 PolarHBondContact O-N 2.92Å; A661-A664 PolarHBondContact O-N 2.89Å; E662-A664 VanDerWaalsContact C-N 3.34Å; E662-A664 PolarHBondContact O-N 2.65Å; A664-F667 WeakPolarHBondContact O-CB 3.3Å; A664-F667 PolarHBondContact O-N 2.92Å; A664-L668 VanDerWaalsContact O-CG 3.29Å; A664-L668 WeakPolarHBondContact O-CG 3.26Å; A664-L668 PolarHBondContact O-N 3.5Å; A664-V696 HydrophobicContact CB-CG1 4.26Å; A664-L697 HydrophobicContact CB-CD1 4.4Å; A664-L697 HydrophobicContact CB-CD2 4.06Å; A664-L697 HydrophobicContact CB-CG 4.12Å; A664-L864 HydrophobicContact CB-CD1 3.83Å |
| 665 | N | 94 | Very high | 92.1 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 177.6 | -75.2 | -17.9 | 0 | 0 | 0 | 112.7 | A661 E662 F667 L668 E669 R863 L864 | A661-N665 VanDerWaalsContact O-CB 3.32Å; A661-N665 WeakPolarHBondContact O-CB 3.33Å; A661-N665 PolarHBondContact O-N 3.48Å; A661-N665 PolarHBondContact O-ND2 2.84Å; E662-N665 PolarHBondContact O-N 2.78Å; N665-F667 VanDerWaalsContact C-N 3.29Å; N665-F667 PolarHBondContact O-N 2.98Å; N665-L668 PolarHBondContact O-N 3.14Å; N665-E669 WeakPolarHBondContact O-CB 3.39Å; N665-E669 PolarHBondContact O-N 3.37Å; N665-R863 HydrophobicContact CB-CG 4.41Å; N665-R863 WeakPolarHBondContact OD1-CG 3.28Å; N665-L864 PolarHBondContact ND2-O 2.59Å; N665-L864 PolarHBondContact OD1-N 3.5Å |
| 666 | Q | 92.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 174.9 | -69.5 | 173.2 | 17.8 | 0 | 0 | 111.7 | E662 M663 D670 F674 R677 | E662-Q666 WeakPolarHBondContact O-CG 3.37Å; E662-Q666 PolarHBondContact O-N 3Å; M663-Q666 PolarHBondContact O-N 3.39Å; Q666-D670 PolarHBondContact O-N 2.79Å; Q666-F674 HydrophobicContact CB-CD2 3.94Å; Q666-F674 HydrophobicContact CB-CE2 4.25Å; Q666-R677 VanDerWaalsContact OE1-CZ 3.23Å |
| 667 | F | 91.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 172.9 | 168.2 | -100.2 | 0 | 0 | 0 | 112.2 | M663 A664 N665 E669 P671 F674 F675 V693 L697 L853 P858 | M663-F667 PolarHBondContact O-N 3.43Å; M663-F667 VanDerWaalsContact O-N 3.12Å; A664-F667 WeakPolarHBondContact O-CB 3.3Å; A664-F667 PolarHBondContact O-N 2.92Å; N665-F667 VanDerWaalsContact C-N 3.29Å; N665-F667 PolarHBondContact O-N 2.98Å; F667-E669 VanDerWaalsContact C-N 3.3Å; F667-E669 PolarHBondContact O-N 3.23Å; F667-P671 HydrophobicContact CD2-CB 4.22Å; F667-P671 HydrophobicContact CE2-CB 3.89Å; F667-P671 HydrophobicContact CZ-CB 4.49Å; F667-P671 WeakPolarHBondContact O-CA 3.42Å; F667-P671 WeakPolarHBondContact O-CD 3.39Å; F667-P671 WeakPolarHBondContact O-CG 3.33Å; F667-P671 VanDerWaalsContact O-N 3.17Å; F667-F674 HydrophobicContact CB-CD1 4.06Å; F667-F674 HydrophobicContact CB-CD2 3.97Å; F667-F674 HydrophobicContact CB-CE1 4.26Å; F667-F674 HydrophobicContact CB-CE2 4.17Å; F667-F674 HydrophobicContact CB-CG 3.92Å; F667-F674 HydrophobicContact CB-CZ 4.33Å; F667-F674 AromaticContact CD2-CD1 3.92Å; F667-F674 HydrophobicContact CD2-CD1 3.92Å; F667-F674 HydrophobicContact CD2-CE1 4.45Å; F667-F674 HydrophobicContact CD2-CG 4.3Å; F667-F674 HydrophobicContact CG-CD1 4.47Å; F667-F675 HydrophobicContact CD2-CE2 4.46Å; F667-F675 AromaticContact CE2-CE2 3.72Å; F667-F675 HydrophobicContact CE2-CE2 3.72Å; F667-F675 AromaticContact CE2-CZ 3.84Å; F667-F675 HydrophobicContact CE2-CZ 3.84Å; F667-V693 HydrophobicContact CB-CG1 4Å; F667-V693 HydrophobicContact CD1-CG1 3.9Å; F667-V693 HydrophobicContact CG-CG1 3.97Å; F667-L697 HydrophobicContact CD1-CD1 3.67Å; F667-L697 HydrophobicContact CE1-CD1 3.96Å; F667-L853 HydrophobicContact CE1-CD2 4.17Å; F667-L853 HydrophobicContact CE2-CB 4.23Å; F667-L853 HydrophobicContact CZ-CB 3.96Å; F667-L853 HydrophobicContact CZ-CD2 4.19Å; F667-P858 HydrophobicContact CE1-CG 4.4Å; F667-P858 HydrophobicContact CZ-CG 4.38Å |
| 668 | L | 91 | Very high | 90.8 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -30.6 | 179 | -69.4 | 178.6 | 0 | 0 | 0 | 112.9 | A664 N665 L697 P858 | A664-L668 VanDerWaalsContact O-CG 3.29Å; A664-L668 WeakPolarHBondContact O-CG 3.26Å; A664-L668 PolarHBondContact O-N 3.5Å; N665-L668 PolarHBondContact O-N 3.14Å; L668-L697 HydrophobicContact CD1-CD2 4.02Å; L668-L697 HydrophobicContact CD2-CD1 4.06Å; L668-L697 HydrophobicContact CD2-CD2 4.41Å; L668-L697 HydrophobicContact CG-CD1 4.33Å; L668-L697 HydrophobicContact CG-CD2 4.38Å; L668-P858 HydrophobicContact CD2-CB 3.99Å |
| 669 | E | 90 | Very high | 90.2 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 72% | 0.715 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -77.9 | -49.6 | -178.7 | -172.4 | 168.2 | -164.9 | 0 | 0 | 112.4 | N665 F667 | N665-E669 WeakPolarHBondContact O-CB 3.39Å; N665-E669 PolarHBondContact O-N 3.37Å; F667-E669 VanDerWaalsContact C-N 3.3Å; F667-E669 PolarHBondContact O-N 3.23Å |
| 670 | D | 90 | Very high | 89.8 | Confident | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | trans | -142.7 | 90.5 | 173.3 | -171.3 | -16.5 | 0 | 0 | 0 | 111.4 | Q666 R672 A673 F674 | Q666-D670 PolarHBondContact O-N 2.79Å; D670-R672 PolarHBondContact O-N 2.88Å; D670-R672 WeakPolarHBondContact OD1-CB 3.45Å; D670-R672 PolarHBondContact OD1-N 3.46Å; D670-A673 HydrophobicContact CB-CB 4.01Å; D670-A673 VanDerWaalsContact CG-CB 3.44Å; D670-A673 PolarHBondContact O-N 3.29Å; D670-A673 PolarHBondContact OD1-N 2.9Å; D670-A673 VanDerWaalsContact OD2-CB 3.29Å; D670-A673 WeakPolarHBondContact OD2-CB 3.27Å; D670-F674 VanDerWaalsContact O-CB 3.28Å; D670-F674 WeakPolarHBondContact O-CB 3.01Å; D670-F674 PolarHBondContact O-N 3.2Å | ||
| 671 | P | 88.5 | Confident | 89.3 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 25% | 0.253 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.2 | -34.6 | 178.5 | -23.2 | 29.1 | 0 | 0 | 0 | 113 | F667 F675 P858 | F667-P671 HydrophobicContact CD2-CB 4.22Å; F667-P671 HydrophobicContact CE2-CB 3.89Å; F667-P671 HydrophobicContact CZ-CB 4.49Å; F667-P671 WeakPolarHBondContact O-CA 3.42Å; F667-P671 WeakPolarHBondContact O-CD 3.39Å; F667-P671 WeakPolarHBondContact O-CG 3.33Å; F667-P671 VanDerWaalsContact O-N 3.17Å; P671-F675 WeakPolarHBondContact O-CD2 3.35Å; P671-F675 PolarHBondContact O-N 3.2Å; P671-P858 HydrophobicContact CG-CB 4.2Å; P671-P858 HydrophobicContact CG-CG 3.81Å |
| 672 | R | 88.3 | Confident | 88.5 | Confident | 213 Ų | 213 | 67.5 Ų | 67.5 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.9 | -51.2 | -176.5 | -71.4 | -178.2 | -179 | 172.8 | 1.3 | 110.5 | D670 F674 F675 E676 | D670-R672 PolarHBondContact O-N 2.88Å; D670-R672 WeakPolarHBondContact OD1-CB 3.45Å; D670-R672 PolarHBondContact OD1-N 3.46Å; R672-F674 PolarHBondContact O-N 3.45Å; R672-F675 PolarHBondContact O-N 3.46Å; R672-E676 WeakPolarHBondContact O-CG 3.46Å; R672-E676 PolarHBondContact O-N 3.04Å |
| 673 | A | 89 | Confident | 87.5 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D670 E676 R677 | D670-A673 HydrophobicContact CB-CB 4.01Å; D670-A673 VanDerWaalsContact CG-CB 3.44Å; D670-A673 PolarHBondContact O-N 3.29Å; D670-A673 PolarHBondContact OD1-N 2.9Å; D670-A673 VanDerWaalsContact OD2-CB 3.29Å; D670-A673 WeakPolarHBondContact OD2-CB 3.27Å; A673-E676 PolarHBondContact O-N 3.07Å; A673-R677 WeakPolarHBondContact O-CB 3.17Å; A673-R677 PolarHBondContact O-N 3.4Å |
| 674 | F | 89.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -53.2 | 175.1 | -172.7 | -88.5 | 0 | 0 | 0 | 111.6 | M663 Q666 F667 D670 R672 E676 R677 V678 M689 L690 V693 | M663-F674 WeakPolarHBondContact O-CE2 3.36Å; Q666-F674 HydrophobicContact CB-CD2 3.94Å; Q666-F674 HydrophobicContact CB-CE2 4.25Å; F667-F674 HydrophobicContact CB-CD1 4.06Å; F667-F674 HydrophobicContact CB-CD2 3.97Å; F667-F674 HydrophobicContact CB-CE1 4.26Å; F667-F674 HydrophobicContact CB-CE2 4.17Å; F667-F674 HydrophobicContact CB-CG 3.92Å; F667-F674 HydrophobicContact CB-CZ 4.33Å; F667-F674 AromaticContact CD2-CD1 3.92Å; F667-F674 HydrophobicContact CD2-CD1 3.92Å; F667-F674 HydrophobicContact CD2-CE1 4.45Å; F667-F674 HydrophobicContact CD2-CG 4.3Å; F667-F674 HydrophobicContact CG-CD1 4.47Å; D670-F674 VanDerWaalsContact O-CB 3.28Å; D670-F674 WeakPolarHBondContact O-CB 3.01Å; D670-F674 PolarHBondContact O-N 3.2Å; R672-F674 PolarHBondContact O-N 3.45Å; F674-E676 PolarHBondContact O-N 3.44Å; F674-R677 PolarHBondContact O-N 3.45Å; F674-V678 HydrophobicContact CD1-CG2 4.01Å; F674-V678 HydrophobicContact CE1-CG2 3.68Å; F674-V678 HydrophobicContact CZ-CG2 3.96Å; F674-V678 VanDerWaalsContact O-CG2 3.28Å; F674-V678 WeakPolarHBondContact O-CG2 3.49Å; F674-V678 PolarHBondContact O-N 2.78Å; F674-M689 HydrophobicContact CE2-CE 4Å; F674-M689 HydrophobicContact CZ-CE 4Å; F674-M689 HydrophobicContact CZ-CG 4.28Å; F674-M689 HydrophobicContact CZ-SD 4.37Å; F674-L690 HydrophobicContact CE1-CD2 4.04Å; F674-V693 HydrophobicContact CE1-CG2 4.44Å; F674-V693 HydrophobicContact CZ-CG2 3.87Å |
| 675 | F | 88 | Confident | 85.8 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 178.8 | -77.6 | -58.4 | 0 | 0 | 0 | 113.1 | F667 P671 R672 R677 V678 K679 L690 H850 L853 | F667-F675 HydrophobicContact CD2-CE2 4.46Å; F667-F675 AromaticContact CE2-CE2 3.72Å; F667-F675 HydrophobicContact CE2-CE2 3.72Å; F667-F675 AromaticContact CE2-CZ 3.84Å; F667-F675 HydrophobicContact CE2-CZ 3.84Å; P671-F675 WeakPolarHBondContact O-CD2 3.35Å; P671-F675 PolarHBondContact O-N 3.2Å; R672-F675 PolarHBondContact O-N 3.46Å; F675-R677 VanDerWaalsContact C-N 3.3Å; F675-R677 PolarHBondContact O-N 3.42Å; F675-V678 PolarHBondContact O-N 3.5Å; F675-K679 WeakPolarHBondContact O-CB 3.32Å; F675-K679 WeakPolarHBondContact O-CG 3.35Å; F675-K679 PolarHBondContact O-N 3.04Å; F675-L690 HydrophobicContact CD1-CD2 4.1Å; F675-L690 HydrophobicContact CE1-CD2 3.69Å; F675-H850 AromaticContact CD1-CD2 3.51Å; F675-H850 AromaticContact CD2-NE2 3.92Å; F675-H850 HydrophobicContact CE1-CB 4.38Å; F675-H850 AromaticContact CE1-CD2 3.36Å; F675-H850 WeakPolarHBondContact CE1-CD2 3.24Å; F675-H850 AromaticContact CE2-NE2 3.97Å; F675-H850 AromaticContact CG-CD2 3.92Å; F675-H850 AromaticContact CG-NE2 3.99Å; F675-H850 AromaticContact CZ-CD2 3.66Å; F675-L853 HydrophobicContact CE1-CD1 4.33Å; F675-L853 HydrophobicContact CZ-CB 3.99Å; F675-L853 HydrophobicContact CZ-CD1 4.33Å |
| 676 | E | 88 | Confident | 85.2 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 177 | -77.3 | -59.6 | 128.8 | 0 | 0 | 112.5 | R672 A673 F674 K679 | R672-E676 WeakPolarHBondContact O-CG 3.46Å; R672-E676 PolarHBondContact O-N 3.04Å; A673-E676 PolarHBondContact O-N 3.07Å; F674-E676 PolarHBondContact O-N 3.44Å; E676-K679 IonicContact OE1-NZ 3.93Å |
| 677 | R | 86.7 | Confident | 84.6 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.3 | -45.6 | 174.2 | -173.5 | -176.5 | 63.6 | -153 | 1.2 | 111.4 | Q666 A673 F674 F675 K679 K680 M681 | Q666-R677 VanDerWaalsContact OE1-CZ 3.23Å; A673-R677 WeakPolarHBondContact O-CB 3.17Å; A673-R677 PolarHBondContact O-N 3.4Å; F674-R677 PolarHBondContact O-N 3.45Å; F675-R677 VanDerWaalsContact C-N 3.3Å; F675-R677 PolarHBondContact O-N 3.42Å; R677-K679 VanDerWaalsContact C-N 3.34Å; R677-K679 PolarHBondContact O-N 2.89Å; R677-K680 PolarHBondContact O-N 3.23Å; R677-M681 HydrophobicContact CG-CE 4.47Å |
| 678 | V | 84.8 | Confident | 84 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -34 | -176.6 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | F674 F675 K680 M681 M686 M689 L690 | F674-V678 HydrophobicContact CD1-CG2 4.01Å; F674-V678 HydrophobicContact CE1-CG2 3.68Å; F674-V678 HydrophobicContact CZ-CG2 3.96Å; F674-V678 VanDerWaalsContact O-CG2 3.28Å; F674-V678 WeakPolarHBondContact O-CG2 3.49Å; F674-V678 PolarHBondContact O-N 2.78Å; F675-V678 PolarHBondContact O-N 3.5Å; V678-K680 PolarHBondContact O-N 3.04Å; V678-M681 WeakPolarHBondContact O-CB 3.33Å; V678-M681 PolarHBondContact O-N 3.1Å; V678-M686 HydrophobicContact CG1-CB 4.21Å; V678-M686 HydrophobicContact CG1-CG 3.45Å; V678-M686 VanDerWaalsContact CG1-CG 3.45Å; V678-M689 HydrophobicContact CG2-CE 4.47Å; V678-M689 HydrophobicContact CG2-CG 4.5Å; V678-M689 HydrophobicContact CG2-SD 3.61Å; V678-L690 HydrophobicContact CG1-CD2 4.21Å; V678-L690 HydrophobicContact CG1-CG 4.17Å |
| 679 | K | 84.3 | Confident | 83.8 | Confident | 105 Ų | 105 | 71.8 Ų | 71.8 | 46% | 0.457 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.1 | 173 | -84.3 | -179.4 | -178.6 | 173.1 | 0 | 114.9 | F675 E676 R677 M681 F846 | F675-K679 WeakPolarHBondContact O-CB 3.32Å; F675-K679 WeakPolarHBondContact O-CG 3.35Å; F675-K679 PolarHBondContact O-N 3.04Å; E676-K679 IonicContact OE1-NZ 3.93Å; R677-K679 VanDerWaalsContact C-N 3.34Å; R677-K679 PolarHBondContact O-N 2.89Å; K679-M681 VanDerWaalsContact C-N 3.28Å; K679-F846 HydrophobicContact CG-CZ 4.1Å |
| 680 | K | 84.7 | Confident | 83.7 | Confident | 183 Ų | 183 | 64.5 Ų | 64.5 | 80% | 0.796 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.2 | 177.8 | -64.5 | 176.2 | -174 | 179.5 | 0 | 112.9 | R677 V678 | R677-K680 PolarHBondContact O-N 3.23Å; V678-K680 PolarHBondContact O-N 3.04Å |
| 681 | M | 81.7 | Confident | 83.5 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 30% | 0.3 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -86.2 | 163.9 | 178.1 | -56.6 | 178.1 | -179.9 | 0 | 0 | 110.7 | R677 V678 K679 Q685 M686 M689 | R677-M681 HydrophobicContact CG-CE 4.47Å; V678-M681 WeakPolarHBondContact O-CB 3.33Å; V678-M681 PolarHBondContact O-N 3.1Å; K679-M681 VanDerWaalsContact C-N 3.28Å; M681-Q685 HydrophobicContact CB-CB 4.34Å; M681-M686 VanDerWaalsContact O-CE 3.28Å; M681-M686 WeakPolarHBondContact O-CE 3.13Å; M681-M689 HydrophobicContact CE-SD 3.96Å; M681-M689 HydrophobicContact SD-SD 3.95Å |
| 682 | H | 79.2 | Confident | 83.5 | Confident | 84 Ų | 84 | 61.7 Ų | 61.7 | 39% | 0.389 | 30% | 0.295 | S | S | . | . | trans | -69.2 | 153.9 | 172.5 | 66 | -96.6 | 0 | 0 | 0 | 111.2 | G684 Q685 M686 | H682-G684 VanDerWaalsContact C-N 3.33Å; H682-G684 PolarHBondContact O-N 3.41Å; H682-Q685 PolarHBondContact CD2-N 3.42Å; H682-Q685 VanDerWaalsContact CD2-N 3.35Å; H682-Q685 WeakPolarHBondContact CE1-CG 3.49Å; H682-Q685 PolarHBondContact CE1-OE1 3.4Å; H682-Q685 PolarHBondContact ND1-OE1 3.12Å; H682-Q685 WeakPolarHBondContact NE2-CB 3.47Å; H682-Q685 WeakPolarHBondContact NE2-CG 3.35Å; H682-Q685 PolarHBondContact NE2-N 3.2Å; H682-Q685 PolarHBondContact O-N 2.87Å; H682-M686 WeakPolarHBondContact O-CB 3.13Å; H682-M686 PolarHBondContact O-N 2.73Å | ||
| 683 | A | 72.2 | Confident | 83.6 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.8 | -43.1 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | M686 I687 D842 | A683-M686 WeakPolarHBondContact O-CB 3.34Å; A683-M686 PolarHBondContact O-N 2.96Å; A683-I687 WeakPolarHBondContact O-CG1 3.42Å; A683-I687 PolarHBondContact O-N 3.36Å; A683-D842 HydrophobicContact CB-CB 4.1Å |
| 684 | G | 71.7 | Confident | 83.6 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -51.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H682 M686 I687 E688 | H682-G684 VanDerWaalsContact C-N 3.33Å; H682-G684 PolarHBondContact O-N 3.41Å; G684-M686 VanDerWaalsContact C-N 3.28Å; G684-M686 PolarHBondContact O-N 2.96Å; G684-I687 PolarHBondContact O-N 3.46Å; G684-E688 WeakPolarHBondContact O-CB 3.5Å; G684-E688 PolarHBondContact O-N 2.8Å |
| 685 | Q | 77.5 | Confident | 83.6 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 174.6 | -98.8 | 176.9 | -7 | 0 | 0 | 112.2 | M681 H682 E688 M689 | M681-Q685 HydrophobicContact CB-CB 4.34Å; H682-Q685 PolarHBondContact CD2-N 3.42Å; H682-Q685 VanDerWaalsContact CD2-N 3.35Å; H682-Q685 WeakPolarHBondContact CE1-CG 3.49Å; H682-Q685 PolarHBondContact CE1-OE1 3.4Å; H682-Q685 PolarHBondContact ND1-OE1 3.12Å; H682-Q685 WeakPolarHBondContact NE2-CB 3.47Å; H682-Q685 WeakPolarHBondContact NE2-CG 3.35Å; H682-Q685 PolarHBondContact NE2-N 3.2Å; H682-Q685 PolarHBondContact O-N 2.87Å; Q685-E688 PolarHBondContact O-N 3.17Å; Q685-M689 VanDerWaalsContact O-CB 3.3Å; Q685-M689 WeakPolarHBondContact O-CB 3.28Å; Q685-M689 PolarHBondContact O-N 3.25Å |
| 686 | M | 80.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.4 | -50.9 | 179.1 | -168.1 | -171.4 | -56.7 | 0 | 0 | 111.1 | V678 M681 H682 A683 G684 M689 L690 F846 | V678-M686 HydrophobicContact CG1-CB 4.21Å; V678-M686 HydrophobicContact CG1-CG 3.45Å; V678-M686 VanDerWaalsContact CG1-CG 3.45Å; M681-M686 VanDerWaalsContact O-CE 3.28Å; M681-M686 WeakPolarHBondContact O-CE 3.13Å; H682-M686 WeakPolarHBondContact O-CB 3.13Å; H682-M686 PolarHBondContact O-N 2.73Å; A683-M686 WeakPolarHBondContact O-CB 3.34Å; A683-M686 PolarHBondContact O-N 2.96Å; G684-M686 VanDerWaalsContact C-N 3.28Å; G684-M686 PolarHBondContact O-N 2.96Å; M686-M689 PolarHBondContact O-N 3.35Å; M686-L690 VanDerWaalsContact O-CG 3.31Å; M686-L690 WeakPolarHBondContact O-CG 3.33Å; M686-L690 PolarHBondContact O-N 3.43Å; M686-F846 HydrophobicContact CG-CD2 3.83Å; M686-F846 HydrophobicContact CG-CE2 3.95Å; M686-F846 HydrophobicContact SD-CD2 3.21Å; M686-F846 WeakPolarHBondContact SD-CD2 3.3Å; M686-F846 HydrophobicContact SD-CE2 3.31Å; M686-F846 WeakPolarHBondContact SD-CE2 3.35Å; M686-F846 HydrophobicContact SD-CG 3.99Å; M686-F846 HydrophobicContact SD-CZ 4.18Å |
| 687 | I | 80 | Confident | 83.9 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 179.2 | -67.8 | 165.2 | 0 | 0 | 0 | 110.7 | A683 G684 M689 L690 D691 D842 Q845 L849 | A683-I687 WeakPolarHBondContact O-CG1 3.42Å; A683-I687 PolarHBondContact O-N 3.36Å; G684-I687 PolarHBondContact O-N 3.46Å; I687-M689 VanDerWaalsContact C-N 3.32Å; I687-M689 PolarHBondContact O-N 3.48Å; I687-L690 PolarHBondContact O-N 2.87Å; I687-D691 WeakPolarHBondContact O-CB 3.45Å; I687-D691 PolarHBondContact O-N 3.1Å; I687-D842 HydrophobicContact CD1-CB 3.85Å; I687-Q845 HydrophobicContact CD1-CB 4.13Å; I687-Q845 HydrophobicContact CG1-CB 4.45Å; I687-L849 HydrophobicContact CG2-CD1 4.04Å |
| 688 | E | 79.5 | Confident | 83.9 | Confident | 100 Ų | 100 | 44 Ų | 44 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 178.4 | -177.2 | 177.2 | 180 | 0 | 0 | 111.8 | G684 Q685 N692 | G684-E688 WeakPolarHBondContact O-CB 3.5Å; G684-E688 PolarHBondContact O-N 2.8Å; Q685-E688 PolarHBondContact O-N 3.17Å; E688-N692 WeakPolarHBondContact O-CB 3.17Å; E688-N692 PolarHBondContact O-N 2.91Å |
| 689 | M | 85.5 | Confident | 84 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 14% | 0.138 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | -180 | -163.6 | 172.8 | -168.7 | 0 | 0 | 111.5 | M663 F674 V678 M681 Q685 M686 I687 V693 | M663-M689 HydrophobicContact CB-CE 4.49Å; M663-M689 HydrophobicContact CG-CE 3.77Å; M663-M689 HydrophobicContact SD-CE 3.64Å; M663-M689 HydrophobicContact SD-CG 3.84Å; M663-M689 HydrophobicContact SD-SD 4.49Å; F674-M689 HydrophobicContact CE2-CE 4Å; F674-M689 HydrophobicContact CZ-CE 4Å; F674-M689 HydrophobicContact CZ-CG 4.28Å; F674-M689 HydrophobicContact CZ-SD 4.37Å; V678-M689 HydrophobicContact CG2-CE 4.47Å; V678-M689 HydrophobicContact CG2-CG 4.5Å; V678-M689 HydrophobicContact CG2-SD 3.61Å; M681-M689 HydrophobicContact CE-SD 3.96Å; M681-M689 HydrophobicContact SD-SD 3.95Å; Q685-M689 VanDerWaalsContact O-CB 3.3Å; Q685-M689 WeakPolarHBondContact O-CB 3.28Å; Q685-M689 PolarHBondContact O-N 3.25Å; M686-M689 PolarHBondContact O-N 3.35Å; I687-M689 VanDerWaalsContact C-N 3.32Å; I687-M689 PolarHBondContact O-N 3.48Å; M689-V693 WeakPolarHBondContact O-CG2 3.42Å; M689-V693 PolarHBondContact O-N 3.39Å |
| 690 | L | 88.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.7 | -41 | 178.5 | -66.3 | 179.5 | 0 | 0 | 0 | 112.7 | F674 F675 V678 M686 I687 V693 Y694 F846 L849 L853 | F674-L690 HydrophobicContact CE1-CD2 4.04Å; F675-L690 HydrophobicContact CD1-CD2 4.1Å; F675-L690 HydrophobicContact CE1-CD2 3.69Å; V678-L690 HydrophobicContact CG1-CD2 4.21Å; V678-L690 HydrophobicContact CG1-CG 4.17Å; M686-L690 VanDerWaalsContact O-CG 3.31Å; M686-L690 WeakPolarHBondContact O-CG 3.33Å; M686-L690 PolarHBondContact O-N 3.43Å; I687-L690 PolarHBondContact O-N 2.87Å; L690-V693 PolarHBondContact O-N 3.1Å; L690-Y694 WeakPolarHBondContact O-CB 3.36Å; L690-Y694 PolarHBondContact O-N 3.39Å; L690-F846 HydrophobicContact CD1-CD2 3.48Å; L690-F846 VanDerWaalsContact CD1-CD2 3.48Å; L690-F846 HydrophobicContact CD1-CE2 3.59Å; L690-L849 HydrophobicContact CB-CB 4.1Å; L690-L849 HydrophobicContact CB-CD1 4.08Å; L690-L849 HydrophobicContact CD1-CB 4.38Å; L690-L853 HydrophobicContact CB-CD1 4.05Å; L690-L853 HydrophobicContact CD2-CD1 3.65Å; L690-L853 HydrophobicContact CG-CD1 4.37Å |
| 691 | D | 86.3 | Confident | 84.5 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 175.9 | 178.5 | 68 | 0 | 0 | 0 | 111.3 | I687 V693 Y694 R695 V829 L849 | I687-D691 WeakPolarHBondContact O-CB 3.45Å; I687-D691 PolarHBondContact O-N 3.1Å; D691-V693 PolarHBondContact O-N 3.49Å; D691-Y694 PolarHBondContact O-N 2.79Å; D691-R695 WeakPolarHBondContact O-CB 3.28Å; D691-R695 PolarHBondContact O-N 3.01Å; D691-R695 VanDerWaalsContact OD2-CD 3.25Å; D691-R695 WeakPolarHBondContact OD2-CD 3.37Å; D691-R695 IonicContact OD2-NH1 3.61Å; D691-V829 HydrophobicContact CB-CG1 4.49Å; D691-V829 WeakPolarHBondContact OD2-CG1 3.28Å; D691-L849 HydrophobicContact CB-CD1 4.24Å; D691-L849 HydrophobicContact CB-CD2 4.4Å |
| 692 | N | 87.2 | Confident | 85.1 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 24% | 0.235 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 177.8 | -88 | -27.1 | 0 | 0 | 0 | 112 | E688 Y694 R695 V696 | E688-N692 WeakPolarHBondContact O-CB 3.17Å; E688-N692 PolarHBondContact O-N 2.91Å; N692-Y694 PolarHBondContact O-N 2.98Å; N692-R695 PolarHBondContact O-N 3.19Å; N692-V696 WeakPolarHBondContact O-CB 3.48Å; N692-V696 WeakPolarHBondContact O-CG2 3.33Å; N692-V696 PolarHBondContact O-N 3.5Å |
| 693 | V | 90.4 | Very high | 85.8 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 177 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | M663 F667 F674 M689 L690 D691 V696 L697 L853 | M663-V693 HydrophobicContact CB-CG2 4.07Å; F667-V693 HydrophobicContact CB-CG1 4Å; F667-V693 HydrophobicContact CD1-CG1 3.9Å; F667-V693 HydrophobicContact CG-CG1 3.97Å; F674-V693 HydrophobicContact CE1-CG2 4.44Å; F674-V693 HydrophobicContact CZ-CG2 3.87Å; M689-V693 WeakPolarHBondContact O-CG2 3.42Å; M689-V693 PolarHBondContact O-N 3.39Å; L690-V693 PolarHBondContact O-N 3.1Å; D691-V693 PolarHBondContact O-N 3.49Å; V693-V696 PolarHBondContact O-N 2.9Å; V693-L697 HydrophobicContact CG1-CD1 3.71Å; V693-L697 HydrophobicContact CG1-CG 4.41Å; V693-L697 WeakPolarHBondContact O-CB 3.43Å; V693-L697 WeakPolarHBondContact O-CG 3.36Å; V693-L697 PolarHBondContact O-N 2.94Å; V693-L853 HydrophobicContact CB-CD2 4.34Å; V693-L853 HydrophobicContact CG1-CD2 3.72Å |
| 694 | Y | 90.6 | Very high | 86.9 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 179.7 | 179.3 | -109.9 | 0 | 0 | 0 | 112.4 | L690 D691 N692 L697 S698 V699 F833 L849 L852 L853 L856 | L690-Y694 WeakPolarHBondContact O-CB 3.36Å; L690-Y694 PolarHBondContact O-N 3.39Å; D691-Y694 PolarHBondContact O-N 2.79Å; N692-Y694 PolarHBondContact O-N 2.98Å; Y694-L697 PolarHBondContact O-N 3.1Å; Y694-S698 WeakPolarHBondContact O-CB 3.45Å; Y694-S698 PolarHBondContact O-N 2.85Å; Y694-V699 HydrophobicContact CD1-CG2 4.05Å; Y694-V699 HydrophobicContact CE1-CG2 3.57Å; Y694-F833 HydrophobicContact CE1-CD2 4.22Å; Y694-F833 AromaticContact CE1-CE2 3.74Å; Y694-F833 HydrophobicContact CE1-CE2 3.74Å; Y694-F833 HydrophobicContact CE1-CZ 4.1Å; Y694-L849 HydrophobicContact CD1-CD2 4.42Å; Y694-L849 HydrophobicContact CG-CD2 4.42Å; Y694-L852 HydrophobicContact CD2-CB 3.94Å; Y694-L852 HydrophobicContact CE1-CD1 4.07Å; Y694-L852 HydrophobicContact CE2-CB 3.68Å; Y694-L852 HydrophobicContact CE2-CD1 4.4Å; Y694-L852 HydrophobicContact CE2-CD2 4.4Å; Y694-L852 HydrophobicContact CE2-CG 4.38Å; Y694-L853 HydrophobicContact CD2-CD2 4.34Å; Y694-L856 HydrophobicContact CD2-CD1 3.59Å; Y694-L856 HydrophobicContact CE2-CD1 3.87Å |
| 695 | R | 87.8 | Confident | 87.9 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -61.2 | -47.1 | 178 | -81.6 | 173.7 | 60.5 | -139.5 | -7 | 111.6 | D691 N692 L697 V699 E700 | D691-R695 WeakPolarHBondContact O-CB 3.28Å; D691-R695 PolarHBondContact O-N 3.01Å; D691-R695 VanDerWaalsContact OD2-CD 3.25Å; D691-R695 WeakPolarHBondContact OD2-CD 3.37Å; D691-R695 IonicContact OD2-NH1 3.61Å; N692-R695 PolarHBondContact O-N 3.19Å; R695-L697 VanDerWaalsContact C-N 3.35Å; R695-L697 PolarHBondContact O-N 3.19Å; R695-V699 HydrophobicContact CG-CB 4.31Å; R695-V699 PolarHBondContact O-N 3.35Å; R695-V699 VanDerWaalsContact O-N 3.09Å; R695-E700 HydrophobicContact CB-CG 4.29Å; R695-E700 IonicContact CZ-OE1 2.62Å; R695-E700 IonicContact NE-OE1 3.18Å; R695-E700 PolarHBondContact NE-OE1 2.91Å; R695-E700 IonicContact NH2-OE1 3.05Å; R695-E700 PolarHBondContact NH2-OE1 3.4Å; R695-E700 IonicContact NH2-OE2 3.46Å; R695-E700 WeakPolarHBondContact O-CB 3.5Å; R695-E700 PolarHBondContact O-N 3.3Å |
| 696 | V | 91 | Very high | 88.8 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -67 | -35.5 | -179.6 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | P660 A664 N692 V693 Y778 L864 | P660-V696 HydrophobicContact CB-CG2 3.69Å; A664-V696 HydrophobicContact CB-CG1 4.26Å; N692-V696 WeakPolarHBondContact O-CB 3.48Å; N692-V696 WeakPolarHBondContact O-CG2 3.33Å; N692-V696 PolarHBondContact O-N 3.5Å; V693-V696 PolarHBondContact O-N 2.9Å; V696-Y778 PolarHBondContact O-OH 2.96Å; V696-L864 HydrophobicContact CG1-CD1 3.28Å |
| 697 | L | 91 | Very high | 89.5 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -84.6 | -22.4 | -179 | -68.1 | 178.8 | 0 | 0 | 0 | 114.1 | A664 F667 L668 V693 Y694 R695 L856 L864 | A664-L697 HydrophobicContact CB-CD1 4.4Å; A664-L697 HydrophobicContact CB-CD2 4.06Å; A664-L697 HydrophobicContact CB-CG 4.12Å; F667-L697 HydrophobicContact CD1-CD1 3.67Å; F667-L697 HydrophobicContact CE1-CD1 3.96Å; L668-L697 HydrophobicContact CD1-CD2 4.02Å; L668-L697 HydrophobicContact CD2-CD1 4.06Å; L668-L697 HydrophobicContact CD2-CD2 4.41Å; L668-L697 HydrophobicContact CG-CD1 4.33Å; L668-L697 HydrophobicContact CG-CD2 4.38Å; V693-L697 HydrophobicContact CG1-CD1 3.71Å; V693-L697 HydrophobicContact CG1-CG 4.41Å; V693-L697 WeakPolarHBondContact O-CB 3.43Å; V693-L697 WeakPolarHBondContact O-CG 3.36Å; V693-L697 PolarHBondContact O-N 2.94Å; Y694-L697 PolarHBondContact O-N 3.1Å; R695-L697 VanDerWaalsContact C-N 3.35Å; R695-L697 PolarHBondContact O-N 3.19Å; L697-L856 HydrophobicContact CB-CD1 4.15Å; L697-L864 HydrophobicContact CD2-CD1 4.47Å |
| 698 | S | 87.7 | Confident | 90.3 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -129 | -66.1 | -173.9 | -172 | 0 | 0 | 0 | 0 | 113.6 | Y694 | Y694-S698 WeakPolarHBondContact O-CB 3.45Å; Y694-S698 PolarHBondContact O-N 2.85Å |
| 699 | V | 86.7 | Confident | 91.2 | Very high | 45 Ų | 45 | 38.5 Ų | 38.5 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -72.9 | -38.2 | -165 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | Y694 R695 L832 F833 | Y694-V699 HydrophobicContact CD1-CG2 4.05Å; Y694-V699 HydrophobicContact CE1-CG2 3.57Å; R695-V699 HydrophobicContact CG-CB 4.31Å; R695-V699 PolarHBondContact O-N 3.35Å; R695-V699 VanDerWaalsContact O-N 3.09Å; V699-L832 HydrophobicContact CG1-CB 4.33Å; V699-L832 HydrophobicContact CG1-CD2 3.65Å; V699-F833 HydrophobicContact CG2-CD2 4.36Å |
| 700 | E | 88.9 | Confident | 91.7 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 20% | 0.201 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 17.8 | -176.1 | -57.5 | -168.9 | 169.2 | 0 | 0 | 112.7 | R695 P702 W711 R774 Y778 | R695-E700 HydrophobicContact CB-CG 4.29Å; R695-E700 IonicContact CZ-OE1 2.62Å; R695-E700 IonicContact NE-OE1 3.18Å; R695-E700 PolarHBondContact NE-OE1 2.91Å; R695-E700 IonicContact NH2-OE1 3.05Å; R695-E700 PolarHBondContact NH2-OE1 3.4Å; R695-E700 IonicContact NH2-OE2 3.46Å; R695-E700 WeakPolarHBondContact O-CB 3.5Å; R695-E700 PolarHBondContact O-N 3.3Å; E700-P702 WeakPolarHBondContact O-CD 3.47Å; E700-W711 PolarHBondContact OE2-NE1 2.95Å; E700-R774 PolarHBondContact O-NH2 3.44Å; E700-R774 IonicContact OE2-NH2 3.22Å; E700-R774 PolarHBondContact OE2-NH2 2.74Å; E700-Y778 PolarHBondContact O-OH 3.04Å |
| 701 | R | 91.7 | Very high | 92.1 | Very high | 82 Ų | 82 | 41.4 Ų | 41.4 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | trans | -76.7 | 116.6 | 176.9 | -176.7 | 176.2 | 179.8 | 81.6 | 11.6 | 108.8 | Y778 | R701-Y778 HydrophobicContact CB-CE1 4.32Å; R701-Y778 HydrophobicContact CG-CD1 4.28Å; R701-Y778 HydrophobicContact CG-CE1 3.93Å | ||
| 702 | P | 94.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | trans | -73.4 | 143.9 | 177.5 | 30.3 | -33.2 | 0 | 0 | 0 | 111 | E700 D707 Y778 L780 | E700-P702 WeakPolarHBondContact O-CD 3.47Å; P702-D707 HydrophobicContact CB-CB 3.7Å; P702-Y778 VanDerWaalsContact CD-CD2 3.42Å; P702-Y778 VanDerWaalsContact CD-CZ 3.46Å; P702-Y778 HydrophobicContact CG-CD1 4.26Å; P702-Y778 HydrophobicContact CG-CD2 3.43Å; P702-Y778 VanDerWaalsContact CG-CD2 3.43Å; P702-Y778 HydrophobicContact CG-CE2 3.81Å; P702-Y778 HydrophobicContact CG-CG 3.68Å; P702-L780 HydrophobicContact CB-CD1 3.99Å; P702-L780 HydrophobicContact CG-CD1 3.79Å | ||
| 703 | E | 91.9 | Very high | 93.1 | Very high | 174 Ų | 174 | 39.6 Ų | 39.6 | 81% | 0.813 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -92.4 | -32.4 | 169.1 | -63.8 | -169.1 | 170.6 | 0 | 0 | 111 | D707 | E703-D707 PolarHBondContact N-OD2 3.16Š|
| 704 | T | 95.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -130.4 | 165.1 | -177.4 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | E706 D707 | T704-E706 PolarHBondContact O-N 3.1Å; T704-E706 PolarHBondContact OG1-N 2.98Å; T704-D707 PolarHBondContact N-OD2 2.93Å; T704-D707 WeakPolarHBondContact O-CB 3.27Å; T704-D707 PolarHBondContact O-N 2.89Å; T704-D707 VanDerWaalsContact OG1-CG 3.27Å; T704-D707 PolarHBondContact OG1-N 3.26Å; T704-D707 PolarHBondContact OG1-OD2 3.1Å |
| 705 | A | 93.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -23.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | D707 C708 V709 K781 V783 | A705-D707 VanDerWaalsContact C-N 3.33Å; A705-C708 WeakPolarHBondContact O-CB 3.39Å; A705-C708 PolarHBondContact O-N 3.19Å; A705-V709 PolarHBondContact O-N 2.95Å; A705-K781 WeakPolarHBondContact CB-O 3.43Å; A705-V783 HydrophobicContact CB-CG2 3.79Å |
| 706 | E | 95.7 | Very high | 94.1 | Very high | 105 Ų | 105 | 41 Ų | 41 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.3 | -35.3 | 173.9 | -57.7 | -167.2 | 174.3 | 0 | 0 | 111.3 | T704 C708 V709 V710 I792 | T704-E706 PolarHBondContact O-N 3.1Å; T704-E706 PolarHBondContact OG1-N 2.98Å; E706-C708 PolarHBondContact O-N 3.45Å; E706-V709 WeakPolarHBondContact O-CA 3.42Å; E706-V709 WeakPolarHBondContact O-CB 3.21Å; E706-V709 PolarHBondContact O-N 2.98Å; E706-V710 PolarHBondContact O-N 2.81Å; E706-I792 HydrophobicContact CB-CD1 4.2Å; E706-I792 HydrophobicContact CG-CD1 3.75Å |
| 707 | D | 96.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -31.8 | 175 | -58 | -41.1 | 0 | 0 | 0 | 111.6 | P702 E703 T704 A705 V709 V710 W711 | P702-D707 HydrophobicContact CB-CB 3.7Å; E703-D707 PolarHBondContact N-OD2 3.16Å; T704-D707 PolarHBondContact N-OD2 2.93Å; T704-D707 WeakPolarHBondContact O-CB 3.27Å; T704-D707 PolarHBondContact O-N 2.89Å; T704-D707 VanDerWaalsContact OG1-CG 3.27Å; T704-D707 PolarHBondContact OG1-N 3.26Å; T704-D707 PolarHBondContact OG1-OD2 3.1Å; A705-D707 VanDerWaalsContact C-N 3.33Å; D707-V709 VanDerWaalsContact C-N 3.31Å; D707-V709 PolarHBondContact O-N 3.38Å; D707-V710 PolarHBondContact O-N 3.34Å; D707-W711 WeakPolarHBondContact O-CB 3.4Å; D707-W711 PolarHBondContact O-N 3.46Å |
| 708 | C | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 172.3 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | A705 E706 W711 A712 A771 R774 S775 | A705-C708 WeakPolarHBondContact O-CB 3.39Å; A705-C708 PolarHBondContact O-N 3.19Å; E706-C708 PolarHBondContact O-N 3.45Å; C708-W711 PolarHBondContact O-N 3.49Å; C708-A712 WeakPolarHBondContact O-CB 3.48Å; C708-A712 PolarHBondContact O-N 3.14Å; C708-A771 HydrophobicContact CB-CB 4.31Å; C708-R774 HydrophobicContact CB-CB 4.17Å; C708-R774 HydrophobicContact CB-CG 4.34Å; C708-S775 WeakPolarHBondContact CB-OG 3.33Å; C708-S775 PolarHBondContact SG-OG 3.09Å |
| 709 | V | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | A705 E706 D707 W711 A712 R713 I767 A771 V789 I792 A793 | A705-V709 PolarHBondContact O-N 2.95Å; E706-V709 WeakPolarHBondContact O-CA 3.42Å; E706-V709 WeakPolarHBondContact O-CB 3.21Å; E706-V709 PolarHBondContact O-N 2.98Å; D707-V709 VanDerWaalsContact C-N 3.31Å; D707-V709 PolarHBondContact O-N 3.38Å; V709-W711 VanDerWaalsContact C-N 3.33Å; V709-W711 PolarHBondContact O-N 2.9Å; V709-A712 PolarHBondContact O-N 2.94Å; V709-R713 WeakPolarHBondContact O-CB 3.5Å; V709-R713 PolarHBondContact O-N 3.38Å; V709-I767 HydrophobicContact CG1-CG2 4Å; V709-A771 HydrophobicContact CB-CB 4.36Å; V709-A771 HydrophobicContact CG2-CB 3.81Å; V709-V789 HydrophobicContact CG1-CG1 3.98Å; V709-V789 HydrophobicContact CG2-CG1 4.33Å; V709-V789 HydrophobicContact CG2-CG2 4.21Å; V709-I792 HydrophobicContact CB-CB 4.37Å; V709-I792 HydrophobicContact CB-CG2 3.81Å; V709-I792 HydrophobicContact CG1-CB 3.93Å; V709-I792 HydrophobicContact CG1-CG2 3.7Å; V709-I792 HydrophobicContact CG2-CD1 4.33Å; V709-A793 HydrophobicContact CG1-CB 4.32Å |
| 710 | V | 96.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 33% | 0.333 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.4 | -45.6 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | E706 D707 R713 N714 V796 | E706-V710 PolarHBondContact O-N 2.81Å; D707-V710 PolarHBondContact O-N 3.34Å; V710-R713 PolarHBondContact O-N 3.04Å; V710-N714 PolarHBondContact O-N 3.28Å; V710-N714 VanDerWaalsContact O-N 3.11Å; V710-N714 PolarHBondContact O-ND2 2.81Å; V710-V796 HydrophobicContact CB-CG2 4.44Å; V710-V796 HydrophobicContact CG1-CG1 4.11Å; V710-V796 HydrophobicContact CG2-CG2 4.07Å |
| 711 | W | 96.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 13% | 0.125 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -50.1 | 175.2 | 176.3 | 88.9 | 0 | 0 | 0 | 111.1 | A656 F657 E700 D707 C708 V709 R713 N714 Y715 A770 R774 | A656-W711 HydrophobicContact CB-CH2 4.24Å; F657-W711 AromaticContact CE1-CH2 3.94Å; F657-W711 HydrophobicContact CE1-CH2 3.94Å; F657-W711 HydrophobicContact CE1-CZ3 4.01Å; F657-W711 HydrophobicContact CZ-CH2 4.29Å; F657-W711 HydrophobicContact CZ-CZ3 4.37Å; E700-W711 PolarHBondContact OE2-NE1 2.95Å; D707-W711 WeakPolarHBondContact O-CB 3.4Å; D707-W711 PolarHBondContact O-N 3.46Å; C708-W711 PolarHBondContact O-N 3.49Å; V709-W711 VanDerWaalsContact C-N 3.33Å; V709-W711 PolarHBondContact O-N 2.9Å; W711-R713 VanDerWaalsContact C-N 3.28Å; W711-R713 PolarHBondContact O-N 3.36Å; W711-N714 PolarHBondContact O-N 2.93Å; W711-Y715 AromaticContact CH2-CD1 3.79Å; W711-Y715 HydrophobicContact CH2-CD1 3.79Å; W711-Y715 HydrophobicContact CH2-CD2 4.33Å; W711-Y715 HydrophobicContact CH2-CE1 4.11Å; W711-Y715 AromaticContact CH2-CG 3.91Å; W711-Y715 HydrophobicContact CH2-CG 3.91Å; W711-Y715 HydrophobicContact CZ2-CD1 4.22Å; W711-Y715 AromaticContact CZ2-CD2 3.92Å; W711-Y715 HydrophobicContact CZ2-CD2 3.92Å; W711-Y715 HydrophobicContact CZ2-CE2 4.24Å; W711-Y715 AromaticContact CZ2-CG 3.91Å; W711-Y715 HydrophobicContact CZ2-CG 3.91Å; W711-Y715 HydrophobicContact CZ3-CD1 4.31Å; W711-Y715 HydrophobicContact CZ3-CG 4.43Å; W711-Y715 VanDerWaalsContact O-CB 3.29Å; W711-Y715 WeakPolarHBondContact O-CB 3.4Å; W711-Y715 PolarHBondContact O-N 2.95Å; W711-A770 HydrophobicContact CZ3-CB 4.26Å; W711-R774 HydrophobicContact CD2-CG 4.11Å; W711-R774 HydrophobicContact CE3-CB 4.02Å; W711-R774 HydrophobicContact CE3-CG 3.81Å; W711-R774 HydrophobicContact CZ3-CB 4.12Å; W711-R774 HydrophobicContact CZ3-CG 4.2Å |
| 712 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C708 V709 Y715 W716 I767 A770 A771 | C708-A712 WeakPolarHBondContact O-CB 3.48Å; C708-A712 PolarHBondContact O-N 3.14Å; V709-A712 PolarHBondContact O-N 2.94Å; A712-Y715 PolarHBondContact O-N 3.08Å; A712-W716 PolarHBondContact O-N 2.69Å; A712-I767 HydrophobicContact CB-CD1 4.4Å; A712-I767 HydrophobicContact CB-CG2 4.17Å; A712-I767 WeakPolarHBondContact O-CD1 3.22Å; A712-A770 HydrophobicContact CB-CB 3.84Å; A712-A771 HydrophobicContact CB-CB 4Å |
| 713 | R | 97.2 | Very high | 95.9 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -43.3 | 177 | 179.5 | 62.5 | -164.9 | 93.5 | -0.8 | 112.8 | V709 V710 W711 Y715 E717 F756 I767 V796 V798 | V709-R713 WeakPolarHBondContact O-CB 3.5Å; V709-R713 PolarHBondContact O-N 3.38Å; V710-R713 PolarHBondContact O-N 3.04Å; W711-R713 VanDerWaalsContact C-N 3.28Å; W711-R713 PolarHBondContact O-N 3.36Å; R713-Y715 VanDerWaalsContact C-N 3.33Å; R713-E717 IonicContact CZ-OE2 2.73Å; R713-E717 IonicContact NH1-OE2 3.32Å; R713-E717 PolarHBondContact NH1-OE2 3.01Å; R713-E717 IonicContact NH2-OE2 2.68Å; R713-E717 PolarHBondContact NH2-OE2 2.99Å; R713-E717 PolarHBondContact O-N 3.26Å; R713-F756 VanDerWaalsContact NE-CD1 3.27Å; R713-I767 HydrophobicContact CB-CD1 4.26Å; R713-V796 HydrophobicContact CB-CB 4.28Å; R713-V796 HydrophobicContact CB-CG1 4.17Å; R713-V796 HydrophobicContact CB-CG2 4.04Å; R713-V796 HydrophobicContact CG-CB 3.83Å; R713-V796 HydrophobicContact CG-CG1 3.88Å; R713-V796 HydrophobicContact CG-CG2 4.05Å; R713-V798 HydrophobicContact CG-CG2 4.33Å |
| 714 | N | 96.2 | Very high | 96.1 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.2 | -34.3 | 174.3 | -74.1 | -62.7 | 0 | 0 | 0 | 111.9 | V710 W711 E717 K718 P799 | V710-N714 PolarHBondContact O-N 3.28Å; V710-N714 VanDerWaalsContact O-N 3.11Å; V710-N714 PolarHBondContact O-ND2 2.81Å; W711-N714 PolarHBondContact O-N 2.93Å; N714-E717 PolarHBondContact O-N 3.31Å; N714-K718 PolarHBondContact O-N 3.16Å; N714-P799 VanDerWaalsContact OD1-CD 3.32Å; N714-P799 WeakPolarHBondContact OD1-CD 3.22Å |
| 715 | Y | 95.7 | Very high | 96 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.3 | -164.2 | -118.4 | 0 | 0 | 0 | 112.1 | L652 A656 W711 A712 R713 E717 K718 C719 F766 | L652-Y715 HydrophobicContact CD1-CE1 4.18Å; L652-Y715 WeakPolarHBondContact CD1-OH 3.34Å; L652-Y715 HydrophobicContact CD2-CE1 4.18Å; L652-Y715 HydrophobicContact CG-CE1 4.12Å; A656-Y715 HydrophobicContact CB-CE1 4.37Å; W711-Y715 AromaticContact CH2-CD1 3.79Å; W711-Y715 HydrophobicContact CH2-CD1 3.79Å; W711-Y715 HydrophobicContact CH2-CD2 4.33Å; W711-Y715 HydrophobicContact CH2-CE1 4.11Å; W711-Y715 AromaticContact CH2-CG 3.91Å; W711-Y715 HydrophobicContact CH2-CG 3.91Å; W711-Y715 HydrophobicContact CZ2-CD1 4.22Å; W711-Y715 AromaticContact CZ2-CD2 3.92Å; W711-Y715 HydrophobicContact CZ2-CD2 3.92Å; W711-Y715 HydrophobicContact CZ2-CE2 4.24Å; W711-Y715 AromaticContact CZ2-CG 3.91Å; W711-Y715 HydrophobicContact CZ2-CG 3.91Å; W711-Y715 HydrophobicContact CZ3-CD1 4.31Å; W711-Y715 HydrophobicContact CZ3-CG 4.43Å; W711-Y715 VanDerWaalsContact O-CB 3.29Å; W711-Y715 WeakPolarHBondContact O-CB 3.4Å; W711-Y715 PolarHBondContact O-N 2.95Å; A712-Y715 PolarHBondContact O-N 3.08Å; R713-Y715 VanDerWaalsContact C-N 3.33Å; Y715-E717 VanDerWaalsContact C-N 3.32Å; Y715-E717 PolarHBondContact O-N 3.11Å; Y715-K718 PolarHBondContact O-N 3.07Å; Y715-C719 WeakPolarHBondContact O-CB 3.38Å; Y715-C719 PolarHBondContact O-N 3.26Å; Y715-C719 PolarHBondContact O-SG 3.41Å; Y715-F766 HydrophobicContact CD1-CE1 4.49Å; Y715-F766 HydrophobicContact CD1-CZ 4.04Å |
| 716 | W | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.7 | -48.3 | 170.7 | -174 | 99.7 | 0 | 0 | 0 | 110.9 | A712 K718 C719 F720 L754 F756 H763 F766 I767 L888 | A712-W716 PolarHBondContact O-N 2.69Å; W716-K718 VanDerWaalsContact C-N 3.34Å; W716-K718 PolarHBondContact O-N 3.39Å; W716-C719 PolarHBondContact O-N 3.25Å; W716-F720 HydrophobicContact CB-CD2 4.38Å; W716-F720 AromaticContact CD1-CD2 3.58Å; W716-F720 AromaticContact CD1-CE2 3.73Å; W716-F720 AromaticContact CD2-CD2 3.88Å; W716-F720 HydrophobicContact CD2-CD2 3.88Å; W716-F720 AromaticContact CE2-CD2 3.81Å; W716-F720 AromaticContact CG-CD2 3.73Å; W716-F720 HydrophobicContact CG-CD2 3.73Å; W716-F720 HydrophobicContact CG-CE2 4.16Å; W716-F720 HydrophobicContact CH2-CB 4.44Å; W716-F720 HydrophobicContact CZ2-CB 4.34Å; W716-F720 AromaticContact NE1-CD2 3.64Å; W716-F720 VanDerWaalsContact O-CD2 3.22Å; W716-F720 WeakPolarHBondContact O-CD2 3.47Å; W716-F720 PolarHBondContact O-N 3.14Å; W716-L754 HydrophobicContact CH2-CB 3.64Å; W716-L754 HydrophobicContact CZ2-CB 4.04Å; W716-F756 HydrophobicContact CD2-CB 4.42Å; W716-F756 AromaticContact CD2-CD2 3.79Å; W716-F756 HydrophobicContact CD2-CD2 3.79Å; W716-F756 AromaticContact CE2-CD2 3.89Å; W716-F756 HydrophobicContact CE3-CB 3.84Å; W716-F756 HydrophobicContact CE3-CD2 4.05Å; W716-F756 HydrophobicContact CE3-CG 4.39Å; W716-F756 HydrophobicContact CG-CD2 4.21Å; W716-F756 VanDerWaalsContact CH2-CA 3.47Å; W716-F756 HydrophobicContact CH2-CB 3.91Å; W716-F756 HydrophobicContact CZ2-CB 4.42Å; W716-F756 HydrophobicContact CZ2-CD2 4.29Å; W716-F756 HydrophobicContact CZ3-CB 3.59Å; W716-F756 HydrophobicContact CZ3-CD2 4.46Å; W716-H763 AromaticContact CZ2-CE1 3.92Å; W716-H763 AromaticContact CZ2-ND1 3.98Å; W716-F766 HydrophobicContact CB-CD1 4.06Å; W716-F766 HydrophobicContact CB-CE1 3.82Å; W716-F766 AromaticContact CD1-CD1 3.48Å; W716-F766 VanDerWaalsContact CD1-CD1 3.48Å; W716-F766 AromaticContact CD1-CE1 3.97Å; W716-F766 HydrophobicContact CG-CD1 4.18Å; W716-F766 HydrophobicContact CG-CE1 4.31Å; W716-I767 HydrophobicContact CB-CD1 3.7Å; W716-I767 HydrophobicContact CG-CD1 4.16Å; W716-L888 HydrophobicContact CZ2-CD2 4.49Å |
| 717 | E | 96.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | -178.4 | -156.2 | 75.1 | -160.9 | 0 | 0 | 111.9 | R713 N714 Y715 C719 N721 Y722 V798 | R713-E717 IonicContact CZ-OE2 2.73Å; R713-E717 IonicContact NH1-OE2 3.32Å; R713-E717 PolarHBondContact NH1-OE2 3.01Å; R713-E717 IonicContact NH2-OE2 2.68Å; R713-E717 PolarHBondContact NH2-OE2 2.99Å; R713-E717 PolarHBondContact O-N 3.26Å; N714-E717 PolarHBondContact O-N 3.31Å; Y715-E717 VanDerWaalsContact C-N 3.32Å; Y715-E717 PolarHBondContact O-N 3.11Å; E717-C719 VanDerWaalsContact C-N 3.33Å; E717-C719 PolarHBondContact O-N 3.31Å; E717-N721 HydrophobicContact CG-CB 4.28Å; E717-N721 WeakPolarHBondContact O-CA 3.49Å; E717-N721 WeakPolarHBondContact O-CB 3.05Å; E717-N721 PolarHBondContact O-N 2.79Å; E717-N721 VanDerWaalsContact O-N 3.11Å; E717-N721 PolarHBondContact OE1-ND2 3.19Å; E717-Y722 HydrophobicContact CB-CE1 4.38Å; E717-Y722 HydrophobicContact CB-CE2 4.37Å; E717-Y722 HydrophobicContact CG-CD1 3.97Å; E717-Y722 HydrophobicContact CG-CE1 3.26Å; E717-Y722 HydrophobicContact CG-CE2 3.97Å; E717-Y722 VanDerWaalsContact CG-OH 3.27Å; E717-Y722 WeakPolarHBondContact CG-OH 3.46Å; E717-Y722 PolarHBondContact O-N 2.92Å; E717-V798 HydrophobicContact CB-CG1 4.16Å; E717-V798 HydrophobicContact CG-CG1 3.67Å |
| 718 | K | 94.5 | Very high | 95.8 | Very high | 79 Ų | 79 | 26.8 Ų | 26.8 | 34% | 0.343 | 13% | 0.128 | S | C | . | . | I | π-helix | trans | -58.4 | -45 | 174.6 | -176.3 | -176.9 | 176.2 | -176.9 | 0 | 111.7 | N714 Y715 W716 S723 C830 | N714-K718 PolarHBondContact O-N 3.16Å; Y715-K718 PolarHBondContact O-N 3.07Å; W716-K718 VanDerWaalsContact C-N 3.34Å; W716-K718 PolarHBondContact O-N 3.39Å; K718-S723 WeakPolarHBondContact O-CB 3.3Å; K718-S723 PolarHBondContact O-N 3.16Å; K718-S723 VanDerWaalsContact O-N 3.12Å; K718-S723 PolarHBondContact O-OG 2.75Å; K718-C830 VanDerWaalsContact CE-SG 3.58Å; K718-C830 PolarHBondContact NZ-SG 3.1Å |
| 719 | C | 95.7 | Very high | 95.6 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -80.1 | -39.3 | -170.9 | -65.6 | 0 | 0 | 0 | 0 | 114 | W648 Y715 W716 E717 S723 | W648-C719 HydrophobicContact CH2-CB 4.23Å; Y715-C719 WeakPolarHBondContact O-CB 3.38Å; Y715-C719 PolarHBondContact O-N 3.26Å; Y715-C719 PolarHBondContact O-SG 3.41Å; W716-C719 PolarHBondContact O-N 3.25Å; E717-C719 VanDerWaalsContact C-N 3.33Å; E717-C719 PolarHBondContact O-N 3.31Å; C719-S723 PolarHBondContact O-OG 2.83Å |
| 720 | F | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -112.9 | -6.6 | -168.7 | -50.5 | -65.3 | 0 | 0 | 0 | 114.2 | W648 W716 L754 F766 A885 L888 R889 N892 | W648-F720 AromaticContact CH2-CE1 3.74Å; W648-F720 HydrophobicContact CH2-CE1 3.74Å; W648-F720 HydrophobicContact CH2-CZ 4.15Å; W648-F720 AromaticContact CZ3-CE1 3.94Å; W648-F720 HydrophobicContact CZ3-CE1 3.94Å; W648-F720 HydrophobicContact CZ3-CZ 4.38Å; W716-F720 HydrophobicContact CB-CD2 4.38Å; W716-F720 AromaticContact CD1-CD2 3.58Å; W716-F720 AromaticContact CD1-CE2 3.73Å; W716-F720 AromaticContact CD2-CD2 3.88Å; W716-F720 HydrophobicContact CD2-CD2 3.88Å; W716-F720 AromaticContact CE2-CD2 3.81Å; W716-F720 AromaticContact CG-CD2 3.73Å; W716-F720 HydrophobicContact CG-CD2 3.73Å; W716-F720 HydrophobicContact CG-CE2 4.16Å; W716-F720 HydrophobicContact CH2-CB 4.44Å; W716-F720 HydrophobicContact CZ2-CB 4.34Å; W716-F720 AromaticContact NE1-CD2 3.64Å; W716-F720 VanDerWaalsContact O-CD2 3.22Å; W716-F720 WeakPolarHBondContact O-CD2 3.47Å; W716-F720 PolarHBondContact O-N 3.14Å; F720-L754 HydrophobicContact CB-CB 4.48Å; F720-L754 HydrophobicContact CB-CD1 4.34Å; F720-L754 PolarHBondContact O-N 3.37Å; F720-F766 HydrophobicContact CE2-CD1 4.34Å; F720-F766 HydrophobicContact CE2-CD2 4.09Å; F720-F766 HydrophobicContact CE2-CE1 4.04Å; F720-F766 AromaticContact CE2-CE2 3.77Å; F720-F766 HydrophobicContact CE2-CE2 3.77Å; F720-F766 HydrophobicContact CE2-CG 4.35Å; F720-F766 AromaticContact CE2-CZ 3.74Å; F720-F766 HydrophobicContact CE2-CZ 3.74Å; F720-F766 HydrophobicContact CZ-CD2 4.19Å; F720-F766 AromaticContact CZ-CE2 3.8Å; F720-F766 HydrophobicContact CZ-CE2 3.8Å; F720-F766 HydrophobicContact CZ-CZ 4.15Å; F720-A885 WeakPolarHBondContact CE1-O 3.39Å; F720-A885 HydrophobicContact CZ-CB 4.46Å; F720-L888 HydrophobicContact CD1-CB 3.66Å; F720-L888 HydrophobicContact CD2-CB 4.28Å; F720-L888 HydrophobicContact CD2-CD1 3.99Å; F720-L888 HydrophobicContact CE1-CB 3.45Å; F720-L888 VanDerWaalsContact CE1-CB 3.45Å; F720-L888 HydrophobicContact CE1-CD1 4.35Å; F720-L888 HydrophobicContact CE2-CB 4.11Å; F720-L888 HydrophobicContact CE2-CD1 3.5Å; F720-L888 HydrophobicContact CE2-CG 4.44Å; F720-L888 HydrophobicContact CG-CB 4.08Å; F720-L888 HydrophobicContact CZ-CB 3.71Å; F720-L888 HydrophobicContact CZ-CD1 3.72Å; F720-L888 HydrophobicContact CZ-CG 4.37Å; F720-R889 HydrophobicContact CE1-CB 4.27Å; F720-N892 PolarHBondContact O-ND2 3.49Å |
| 721 | N | 96.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.059 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -123 | -60.7 | 175.5 | -170.5 | -17.4 | 0 | 0 | 0 | 111.8 | E717 I724 R725 P753 L754 | E717-N721 HydrophobicContact CG-CB 4.28Å; E717-N721 WeakPolarHBondContact O-CA 3.49Å; E717-N721 WeakPolarHBondContact O-CB 3.05Å; E717-N721 PolarHBondContact O-N 2.79Å; E717-N721 VanDerWaalsContact O-N 3.11Å; E717-N721 PolarHBondContact OE1-ND2 3.19Å; N721-I724 PolarHBondContact O-N 3.06Å; N721-R725 WeakPolarHBondContact O-CG 3.11Å; N721-R725 PolarHBondContact O-N 2.86Å; N721-R725 WeakPolarHBondContact OD1-CD 3.28Å; N721-R725 WeakPolarHBondContact OD1-CG 3.15Å; N721-R725 PolarHBondContact OD1-NE 3.03Å; N721-P753 WeakPolarHBondContact OD1-CB 3.43Å; N721-L754 PolarHBondContact ND2-O 3.42Å |
| 722 | Y | 95.2 | Very high | 94.8 | Very high | 29 Ų | 29 | 32 Ų | 32 | 11% | 0.114 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -69.2 | -45.5 | -169 | -62.8 | -6.4 | 0 | 0 | 0 | 113.2 | E717 I724 R725 Q726 V798 P799 F801 | E717-Y722 HydrophobicContact CB-CE1 4.38Å; E717-Y722 HydrophobicContact CB-CE2 4.37Å; E717-Y722 HydrophobicContact CG-CD1 3.97Å; E717-Y722 HydrophobicContact CG-CE1 3.26Å; E717-Y722 HydrophobicContact CG-CE2 3.97Å; E717-Y722 VanDerWaalsContact CG-OH 3.27Å; E717-Y722 WeakPolarHBondContact CG-OH 3.46Å; E717-Y722 PolarHBondContact O-N 2.92Å; Y722-I724 PolarHBondContact O-N 3.41Å; Y722-R725 PolarHBondContact O-N 2.69Å; Y722-Q726 WeakPolarHBondContact O-CB 3.3Å; Y722-Q726 PolarHBondContact O-N 3.21Å; Y722-V798 WeakPolarHBondContact OH-CG1 3.37Å; Y722-P799 PolarHBondContact OH-O 3.41Å; Y722-F801 HydrophobicContact CD1-CB 3.29Å; Y722-F801 HydrophobicContact CD1-CD1 4.28Å; Y722-F801 HydrophobicContact CD1-CD2 4.03Å; Y722-F801 AromaticContact CD1-CG 3.6Å; Y722-F801 HydrophobicContact CD1-CG 3.6Å; Y722-F801 HydrophobicContact CD2-CB 4.07Å; Y722-F801 AromaticContact CD2-CD2 3.89Å; Y722-F801 HydrophobicContact CD2-CD2 3.89Å; Y722-F801 HydrophobicContact CD2-CG 4.25Å; Y722-F801 HydrophobicContact CE1-CB 3.36Å; Y722-F801 HydrophobicContact CE1-CG 4.2Å; Y722-F801 HydrophobicContact CE2-CB 4.1Å; Y722-F801 HydrophobicContact CG-CB 3.69Å; Y722-F801 AromaticContact CG-CD2 3.55Å; Y722-F801 HydrophobicContact CG-CD2 3.55Å; Y722-F801 HydrophobicContact CG-CE2 4.35Å; Y722-F801 AromaticContact CG-CG 3.65Å; Y722-F801 HydrophobicContact CG-CG 3.65Å; Y722-F801 WeakPolarHBondContact O-CZ 3.34Å |
| 723 | S | 92.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 36 Ų | 36 | 36% | 0.357 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -54.6 | -41.4 | 173.1 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | K718 C719 Q726 L727 | K718-S723 WeakPolarHBondContact O-CB 3.3Å; K718-S723 PolarHBondContact O-N 3.16Å; K718-S723 VanDerWaalsContact O-N 3.12Å; K718-S723 PolarHBondContact O-OG 2.75Å; C719-S723 PolarHBondContact O-OG 2.83Å; S723-Q726 PolarHBondContact O-N 3.13Å; S723-L727 WeakPolarHBondContact O-CB 3.19Å; S723-L727 PolarHBondContact O-N 2.85Å |
| 724 | I | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72 | -43.5 | -178.6 | -55.7 | -58.4 | 0 | 0 | 0 | 111.1 | N721 Y722 Q726 L727 L728 P751 P753 N892 Y893 | N721-I724 PolarHBondContact O-N 3.06Å; Y722-I724 PolarHBondContact O-N 3.41Å; I724-Q726 VanDerWaalsContact C-N 3.31Å; I724-Q726 PolarHBondContact O-N 3.1Å; I724-L727 PolarHBondContact O-N 3.45Å; I724-L728 HydrophobicContact CG2-CD1 4.16Å; I724-L728 HydrophobicContact CG2-CG 4.45Å; I724-L728 WeakPolarHBondContact O-CG 3.34Å; I724-L728 PolarHBondContact O-N 2.77Å; I724-P751 HydrophobicContact CD1-CB 4.28Å; I724-P751 HydrophobicContact CG2-CB 3.79Å; I724-P751 HydrophobicContact CG2-CG 4.04Å; I724-P753 HydrophobicContact CB-CB 4.34Å; I724-P753 HydrophobicContact CG2-CB 4.21Å; I724-N892 HydrophobicContact CD1-CB 4.2Å; I724-N892 HydrophobicContact CG1-CB 4.46Å; I724-Y893 HydrophobicContact CD1-CE2 3.95Å |
| 725 | R | 95 | Very high | 94 | Very high | 115 Ų | 115 | 42.1 Ų | 42.1 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 173.6 | -74.2 | -176.7 | 170.9 | -167.5 | -3.1 | 112.1 | N721 Y722 H729 P753 F801 | N721-R725 WeakPolarHBondContact O-CG 3.11Å; N721-R725 PolarHBondContact O-N 2.86Å; N721-R725 WeakPolarHBondContact OD1-CD 3.28Å; N721-R725 WeakPolarHBondContact OD1-CG 3.15Å; N721-R725 PolarHBondContact OD1-NE 3.03Å; Y722-R725 PolarHBondContact O-N 2.69Å; R725-H729 WeakPolarHBondContact O-CB 3.43Å; R725-H729 PolarHBondContact O-N 3.09Å; R725-P753 HydrophobicContact CG-CB 3.91Å; R725-P753 HydrophobicContact CG-CG 4.12Å; R725-F801 HydrophobicContact CB-CD1 3.76Å; R725-F801 HydrophobicContact CB-CE1 3.45Å; R725-F801 VanDerWaalsContact CB-CE1 3.45Å; R725-F801 HydrophobicContact CB-CZ 4.47Å; R725-F801 HydrophobicContact CG-CD1 4.45Å |
| 726 | Q | 92.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 173.3 | -171.8 | 60.6 | 61.4 | 0 | 0 | 110.6 | Y722 S723 I724 L728 H729 N730 F801 K804 | Y722-Q726 WeakPolarHBondContact O-CB 3.3Å; Y722-Q726 PolarHBondContact O-N 3.21Å; S723-Q726 PolarHBondContact O-N 3.13Å; I724-Q726 VanDerWaalsContact C-N 3.31Å; I724-Q726 PolarHBondContact O-N 3.1Å; Q726-L728 PolarHBondContact O-N 3.19Å; Q726-H729 WeakPolarHBondContact O-CB 3.47Å; Q726-H729 PolarHBondContact O-N 2.81Å; Q726-N730 PolarHBondContact NE2-OD1 3.44Å; Q726-N730 PolarHBondContact O-N 3.43Å; Q726-N730 PolarHBondContact O-OD1 3Å; Q726-F801 HydrophobicContact CB-CZ 3.91Å; Q726-K804 PolarHBondContact NE2-O 2.84Å |
| 727 | L | 92.7 | Very high | 93 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 179.3 | -176.5 | 63.1 | 0 | 0 | 0 | 112.2 | N637 F638 S723 I724 H729 N730 F731 W744 P751 I809 Y893 | N637-L727 HydrophobicContact CB-CD1 4.27Å; N637-L727 HydrophobicContact CB-CD2 4.49Å; F638-L727 HydrophobicContact CE1-CD1 4.38Å; S723-L727 WeakPolarHBondContact O-CB 3.19Å; S723-L727 PolarHBondContact O-N 2.85Å; I724-L727 PolarHBondContact O-N 3.45Å; L727-H729 VanDerWaalsContact C-N 3.34Å; L727-N730 WeakPolarHBondContact O-CB 3.43Å; L727-N730 PolarHBondContact O-N 2.81Å; L727-F731 HydrophobicContact CD1-CD2 3.77Å; L727-F731 HydrophobicContact CD1-CE2 4.09Å; L727-F731 PolarHBondContact O-N 3.49Å; L727-W744 HydrophobicContact CD2-CH2 4.16Å; L727-W744 HydrophobicContact CG-CH2 4.16Å; L727-P751 HydrophobicContact CD2-CG 4.01Å; L727-I809 HydrophobicContact CD1-CD1 3.71Å; L727-I809 HydrophobicContact CD1-CG2 4.18Å; L727-Y893 VanDerWaalsContact CD2-OH 3.24Å; L727-Y893 WeakPolarHBondContact CD2-OH 3.27Å |
| 728 | L | 94.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.7 | -25.7 | 176.3 | -69 | 176 | 0 | 0 | 0 | 113.4 | I724 Q726 F731 P732 P733 W744 P751 | I724-L728 HydrophobicContact CG2-CD1 4.16Å; I724-L728 HydrophobicContact CG2-CG 4.45Å; I724-L728 WeakPolarHBondContact O-CG 3.34Å; I724-L728 PolarHBondContact O-N 2.77Å; Q726-L728 PolarHBondContact O-N 3.19Å; L728-F731 CarbonylContact O-C 3.29Å; L728-F731 VanDerWaalsContact O-C 3.29Å; L728-P732 WeakPolarHBondContact O-CA 3.38Å; L728-P733 HydrophobicContact CD2-CG 4.16Å; L728-W744 HydrophobicContact CD2-CZ2 4.24Å; L728-P751 HydrophobicContact CD2-CG 4Å; L728-P751 HydrophobicContact CG-CG 4.3Å |
| 729 | H | 92.6 | Very high | 91.5 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 39% | 0.389 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70 | -40.9 | 170.7 | 179.9 | 77.1 | 0 | 0 | 0 | 111.1 | R725 Q726 L727 P803 | R725-H729 WeakPolarHBondContact O-CB 3.43Å; R725-H729 PolarHBondContact O-N 3.09Å; Q726-H729 WeakPolarHBondContact O-CB 3.47Å; Q726-H729 PolarHBondContact O-N 2.81Å; L727-H729 VanDerWaalsContact C-N 3.34Å; H729-P803 HydrophobicContact CB-CB 3.59Å; H729-P803 HydrophobicContact CB-CG 4.16Å |
| 730 | N | 89.6 | Confident | 90.7 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.214 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 175.3 | -81.9 | 70.5 | 0 | 0 | 0 | 112.5 | Q726 L727 V807 I809 | Q726-N730 PolarHBondContact NE2-OD1 3.44Å; Q726-N730 PolarHBondContact O-N 3.43Å; Q726-N730 PolarHBondContact O-OD1 3Å; L727-N730 WeakPolarHBondContact O-CB 3.43Å; L727-N730 PolarHBondContact O-N 2.81Å; N730-V807 PolarHBondContact ND2-O 2.98Å; N730-I809 HydrophobicContact CB-CD1 3.86Å |
| 731 | F | 91.6 | Very high | 89.9 | Confident | 23 Ų | 23 | 61 Ų | 61 | 10% | 0.101 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -129.8 | 88.7 | 179.9 | -53.1 | -78.3 | 0 | 0 | 0 | 111.3 | F638 L727 L728 F743 W744 I809 V811 | F638-F731 HydrophobicContact CZ-CE2 4.28Å; L727-F731 HydrophobicContact CD1-CD2 3.77Å; L727-F731 HydrophobicContact CD1-CE2 4.09Å; L727-F731 PolarHBondContact O-N 3.49Å; L728-F731 CarbonylContact O-C 3.29Å; L728-F731 VanDerWaalsContact O-C 3.29Å; F731-F743 HydrophobicContact CB-CD1 4.03Å; F731-F743 HydrophobicContact CB-CE1 3.64Å; F731-F743 HydrophobicContact CB-CZ 4.16Å; F731-F743 HydrophobicContact CD1-CD1 4.46Å; F731-F743 HydrophobicContact CD1-CD2 4.38Å; F731-F743 AromaticContact CD1-CE1 3.86Å; F731-F743 HydrophobicContact CD1-CE1 3.86Å; F731-F743 AromaticContact CD1-CE2 3.76Å; F731-F743 HydrophobicContact CD1-CE2 3.76Å; F731-F743 AromaticContact CD1-CZ 3.46Å; F731-F743 HydrophobicContact CD1-CZ 3.46Å; F731-F743 VanDerWaalsContact CD1-CZ 3.46Å; F731-F743 HydrophobicContact CD2-CE1 4.32Å; F731-F743 HydrophobicContact CD2-CZ 4.19Å; F731-F743 AromaticContact CE1-CE2 3.97Å; F731-F743 HydrophobicContact CE1-CE2 3.97Å; F731-F743 AromaticContact CE1-CZ 3.83Å; F731-F743 HydrophobicContact CE1-CZ 3.83Å; F731-F743 HydrophobicContact CE2-CZ 4.48Å; F731-F743 HydrophobicContact CG-CD1 4.43Å; F731-F743 AromaticContact CG-CE1 3.69Å; F731-F743 HydrophobicContact CG-CE1 3.69Å; F731-F743 HydrophobicContact CG-CE2 4.41Å; F731-F743 AromaticContact CG-CZ 3.68Å; F731-F743 HydrophobicContact CG-CZ 3.68Å; F731-F743 HydrophobicContact CZ-CZ 4.33Å; F731-W744 HydrophobicContact CB-CZ2 3.74Å; F731-W744 WeakPolarHBondContact O-CZ2 3.34Å; F731-W744 PolarHBondContact O-NE1 2.84Å; F731-W744 VanDerWaalsContact O-NE1 3.11Å; F731-I809 HydrophobicContact CE2-CB 3.83Å; F731-I809 HydrophobicContact CE2-CD1 4.37Å; F731-I809 HydrophobicContact CE2-CG2 3.9Å; F731-I809 HydrophobicContact CZ-CB 4.31Å; F731-V811 HydrophobicContact CE1-CG2 3.76Å; F731-V811 HydrophobicContact CE2-CG2 4.45Å; F731-V811 HydrophobicContact CZ-CG2 3.48Å; F731-V811 VanDerWaalsContact CZ-CG2 3.48Å |
| 732 | P | 93.4 | Very high | 89.4 | Confident | 52 Ų | 52 | 65.7 Ų | 65.7 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | trans | -53.9 | 147.2 | 179.5 | -28.6 | 36.1 | 0 | 0 | 0 | 113 | L728 D734 Q735 W744 | L728-P732 WeakPolarHBondContact O-CA 3.38Å; P732-D734 WeakPolarHBondContact CB-OD1 3.24Å; P732-D734 PolarHBondContact O-N 3.38Å; P732-D734 VanDerWaalsContact O-N 3.08Å; P732-Q735 WeakPolarHBondContact O-CB 3.13Å; P732-Q735 PolarHBondContact O-N 3.09Å; P732-W744 PolarHBondContact O-NE1 2.96Å; P732-W744 VanDerWaalsContact O-NE1 3.14Å | ||
| 733 | P | 92.8 | Very high | 89.1 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.8 | -179.5 | -28.1 | 34.6 | 0 | 0 | 0 | 115.1 | L728 | L728-P733 HydrophobicContact CD2-CG 4.16Š|
| 734 | D | 91.3 | Very high | 89 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 72% | 0.722 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.5 | -178.9 | 61.2 | -37.8 | 0 | 0 | 0 | 113.6 | P732 | P732-D734 WeakPolarHBondContact CB-OD1 3.24Å; P732-D734 PolarHBondContact O-N 3.38Å; P732-D734 VanDerWaalsContact O-N 3.08Å |
| 735 | Q | 90.9 | Very high | 88.5 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 29% | 0.29 | 38% | 0.378 | S | S | . | . | trans | -60.1 | 140 | 180 | -177.9 | 173.4 | -6 | 0 | 0 | 112 | P732 F743 | P732-Q735 WeakPolarHBondContact O-CB 3.13Å; P732-Q735 PolarHBondContact O-N 3.09Å; Q735-F743 HydrophobicContact CB-CB 4.04Å; Q735-F743 HydrophobicContact CG-CB 4.07Å; Q735-F743 VanDerWaalsContact O-CB 3.31Å; Q735-F743 WeakPolarHBondContact O-CB 3.48Å; Q735-F743 PolarHBondContact O-N 3.42Å | ||
| 736 | T | 87.8 | Confident | 88 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -109.1 | 151.5 | 171.9 | 51 | 0 | 0 | 0 | 0 | 111.2 | A741 | T736-A741 CarbonylContact C-O 3.47Å; T736-A741 VanDerWaalsContact CA-O 3.22Å; T736-A741 WeakPolarHBondContact CA-O 3.29Å |
| 737 | T | 84 | Confident | 87.6 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | trans | -75 | 170.7 | 171.3 | 68.6 | 0 | 0 | 0 | 0 | 110.2 | L739 G740 A741 | T737-L739 PolarHBondContact O-N 3.22Å; T737-L739 PolarHBondContact OG1-N 3.26Å; T737-G740 PolarHBondContact O-N 3.49Å; T737-A741 PolarHBondContact N-O 3.24Å; T737-A741 PolarHBondContact OG1-N 3.1Å; T737-A741 PolarHBondContact OG1-O 2.91Å | ||
| 738 | S | 82 | Confident | 87.5 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 90% | 0.902 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -20.6 | 174.8 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 739 | L | 78.5 | Confident | 87.3 | Confident | 162 Ų | 162 | 65.3 Ų | 65.3 | 85% | 0.848 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 3.9 | 177 | -63 | 173 | 0 | 0 | 0 | 113.2 | T737 A741 | T737-L739 PolarHBondContact O-N 3.22Å; T737-L739 PolarHBondContact OG1-N 3.26Å; L739-A741 VanDerWaalsContact C-N 3.3Å; L739-A741 PolarHBondContact O-N 2.89Å |
| 740 | G | 78 | Confident | 87.4 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 57% | 0.567 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 80.8 | 0.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T737 | T737-G740 PolarHBondContact O-N 3.49Š|
| 741 | A | 81.2 | Confident | 87.7 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 44% | 0.438 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -75.4 | 152.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | T736 T737 L739 F743 | T736-A741 CarbonylContact C-O 3.47Å; T736-A741 VanDerWaalsContact CA-O 3.22Å; T736-A741 WeakPolarHBondContact CA-O 3.29Å; T737-A741 PolarHBondContact N-O 3.24Å; T737-A741 PolarHBondContact OG1-N 3.1Å; T737-A741 PolarHBondContact OG1-O 2.91Å; L739-A741 VanDerWaalsContact C-N 3.3Å; L739-A741 PolarHBondContact O-N 2.89Å; A741-F743 PolarHBondContact O-N 3.17Å |
| 742 | K | 85.8 | Confident | 88 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 48% | 0.483 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -62.1 | 132 | 174.3 | -68.3 | 178.1 | -176.2 | 165.8 | 0 | 110.4 | E286 S745 | E286-K742 IonicContact OE1-NZ 3.92Å; E286-K742 PolarHBondContact OE1-NZ 3.16Å; E286-K742 IonicContact OE2-NZ 2.8Å; E286-K742 PolarHBondContact OE2-NZ 3.36Å; K742-S745 PolarHBondContact O-OG 3.49Å |
| 743 | F | 88.7 | Confident | 88.2 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 8% | 0.075 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -61.5 | -46.5 | 175.5 | 176.5 | -93.4 | 0 | 0 | 0 | 111.3 | F638 F731 Q735 A741 S745 K748 V811 | F638-F743 HydrophobicContact CE1-CE1 4.12Å; F638-F743 HydrophobicContact CE1-CZ 4.02Å; F638-F743 HydrophobicContact CZ-CZ 4.17Å; F731-F743 HydrophobicContact CB-CD1 4.03Å; F731-F743 HydrophobicContact CB-CE1 3.64Å; F731-F743 HydrophobicContact CB-CZ 4.16Å; F731-F743 HydrophobicContact CD1-CD1 4.46Å; F731-F743 HydrophobicContact CD1-CD2 4.38Å; F731-F743 AromaticContact CD1-CE1 3.86Å; F731-F743 HydrophobicContact CD1-CE1 3.86Å; F731-F743 AromaticContact CD1-CE2 3.76Å; F731-F743 HydrophobicContact CD1-CE2 3.76Å; F731-F743 AromaticContact CD1-CZ 3.46Å; F731-F743 HydrophobicContact CD1-CZ 3.46Å; F731-F743 VanDerWaalsContact CD1-CZ 3.46Å; F731-F743 HydrophobicContact CD2-CE1 4.32Å; F731-F743 HydrophobicContact CD2-CZ 4.19Å; F731-F743 AromaticContact CE1-CE2 3.97Å; F731-F743 HydrophobicContact CE1-CE2 3.97Å; F731-F743 AromaticContact CE1-CZ 3.83Å; F731-F743 HydrophobicContact CE1-CZ 3.83Å; F731-F743 HydrophobicContact CE2-CZ 4.48Å; F731-F743 HydrophobicContact CG-CD1 4.43Å; F731-F743 AromaticContact CG-CE1 3.69Å; F731-F743 HydrophobicContact CG-CE1 3.69Å; F731-F743 HydrophobicContact CG-CE2 4.41Å; F731-F743 AromaticContact CG-CZ 3.68Å; F731-F743 HydrophobicContact CG-CZ 3.68Å; F731-F743 HydrophobicContact CZ-CZ 4.33Å; Q735-F743 HydrophobicContact CB-CB 4.04Å; Q735-F743 HydrophobicContact CG-CB 4.07Å; Q735-F743 VanDerWaalsContact O-CB 3.31Å; Q735-F743 WeakPolarHBondContact O-CB 3.48Å; Q735-F743 PolarHBondContact O-N 3.42Å; A741-F743 PolarHBondContact O-N 3.17Å; F743-S745 VanDerWaalsContact C-N 3.33Å; F743-S745 PolarHBondContact O-N 3Å; F743-S745 VanDerWaalsContact O-N 3.08Å; F743-K748 HydrophobicContact CE1-CD 4.31Å; F743-K748 HydrophobicContact CE2-CD 4.4Å; F743-K748 HydrophobicContact CZ-CD 4.12Å; F743-V811 HydrophobicContact CE2-CG1 4.07Å; F743-V811 HydrophobicContact CE2-CG2 4.38Å; F743-V811 HydrophobicContact CZ-CG1 4.36Å |
| 744 | W | 89.8 | Confident | 88.4 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 9% | 0.087 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -83.8 | 75.2 | 175.8 | -59.6 | 109 | 0 | 0 | 0 | 111 | F638 L727 L728 F731 P732 K748 R749 C750 P751 | F638-W744 HydrophobicContact CD1-CH2 4.21Å; F638-W744 AromaticContact CD1-CZ3 3.84Å; F638-W744 HydrophobicContact CD1-CZ3 3.84Å; F638-W744 AromaticContact CE1-CH2 3.95Å; F638-W744 HydrophobicContact CE1-CH2 3.95Å; F638-W744 AromaticContact CE1-CZ3 3.99Å; F638-W744 HydrophobicContact CE1-CZ3 3.99Å; L727-W744 HydrophobicContact CD2-CH2 4.16Å; L727-W744 HydrophobicContact CG-CH2 4.16Å; L728-W744 HydrophobicContact CD2-CZ2 4.24Å; F731-W744 HydrophobicContact CB-CZ2 3.74Å; F731-W744 WeakPolarHBondContact O-CZ2 3.34Å; F731-W744 PolarHBondContact O-NE1 2.84Å; F731-W744 VanDerWaalsContact O-NE1 3.11Å; P732-W744 PolarHBondContact O-NE1 2.96Å; P732-W744 VanDerWaalsContact O-NE1 3.14Å; W744-K748 CarbonylContact C-O 3.39Å; W744-K748 WeakPolarHBondContact CA-O 3.31Å; W744-K748 HydrophobicContact CE3-CB 4.06Å; W744-K748 HydrophobicContact CZ3-CB 4.49Å; W744-R749 VanDerWaalsContact CZ3-O 3.31Å; W744-R749 WeakPolarHBondContact CZ3-O 3.04Å; W744-C750 HydrophobicContact CB-CB 3.78Å; W744-C750 HydrophobicContact CD2-CB 3.94Å; W744-C750 HydrophobicContact CE3-CB 4.29Å; W744-C750 HydrophobicContact CG-CB 3.73Å; W744-P751 VanDerWaalsContact CH2-CD 3.47Å; W744-P751 HydrophobicContact CH2-CG 4.16Å |
| 745 | S | 84.8 | Confident | 88.7 | Confident | 55 Ų | 55 | 63.9 Ų | 63.9 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | trans | -142.6 | 160.8 | 176 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | K742 F743 S747 K748 | K742-S745 PolarHBondContact O-OG 3.49Å; F743-S745 VanDerWaalsContact C-N 3.33Å; F743-S745 PolarHBondContact O-N 3Å; F743-S745 VanDerWaalsContact O-N 3.08Å; S745-S747 PolarHBondContact O-N 3.09Å; S745-S747 VanDerWaalsContact O-N 3.12Å; S745-K748 PolarHBondContact N-O 3.01Å; S745-K748 PolarHBondContact O-N 3.1Å; S745-K748 VanDerWaalsContact O-N 3.13Å | ||
| 746 | G | 84.2 | Confident | 89 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -114.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L233 K748 | L233-G746 VanDerWaalsContact CD2-C 3.5Å; L233-G746 VanDerWaalsContact CD2-CA 3.4Å; G746-K748 PolarHBondContact O-N 2.91Å |
| 747 | S | 85.2 | Confident | 89.4 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.9 | -176.4 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | E234 N640 S745 | E234-S747 PolarHBondContact OE1-OG 2.9Å; N640-S747 WeakPolarHBondContact CB-O 3.41Å; N640-S747 PolarHBondContact ND2-O 3.32Å; S745-S747 PolarHBondContact O-N 3.09Å; S745-S747 VanDerWaalsContact O-N 3.12Å |
| 748 | K | 90.5 | Very high | 89.9 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | trans | -105.3 | 96.2 | 179.9 | -59.1 | -177.5 | -172 | 70 | 0 | 110.3 | F638 F743 W744 S745 G746 | F638-K748 HydrophobicContact CB-CG 4.41Å; F638-K748 HydrophobicContact CD1-CD 4.44Å; F638-K748 HydrophobicContact CD1-CG 4.33Å; F638-K748 HydrophobicContact CG-CG 4.39Å; F743-K748 HydrophobicContact CE1-CD 4.31Å; F743-K748 HydrophobicContact CE2-CD 4.4Å; F743-K748 HydrophobicContact CZ-CD 4.12Å; W744-K748 CarbonylContact C-O 3.39Å; W744-K748 WeakPolarHBondContact CA-O 3.31Å; W744-K748 HydrophobicContact CE3-CB 4.06Å; W744-K748 HydrophobicContact CZ3-CB 4.49Å; S745-K748 PolarHBondContact N-O 3.01Å; S745-K748 PolarHBondContact O-N 3.1Å; S745-K748 VanDerWaalsContact O-N 3.13Å; G746-K748 PolarHBondContact O-N 2.91Å | ||
| 749 | R | 91.1 | Very high | 90.5 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 18% | 0.181 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 129.5 | 174.4 | -57.8 | -177.9 | 79.8 | 91.6 | -4 | 109.3 | E250 N640 W744 P751 Y893 D894 | E250-R749 IonicContact OE1-NH1 2.96Å; E250-R749 IonicContact OE1-NH2 2.73Å; E250-R749 IonicContact OE2-CZ 2.74Å; E250-R749 IonicContact OE2-NH1 3.61Å; E250-R749 PolarHBondContact OE2-NH1 3.15Å; E250-R749 IonicContact OE2-NH2 3.76Å; E250-R749 PolarHBondContact OE2-NH2 3.08Å; N640-R749 HydrophobicContact CB-CG 4.25Å; W744-R749 VanDerWaalsContact CZ3-O 3.31Å; W744-R749 WeakPolarHBondContact CZ3-O 3.04Å; R749-P751 WeakPolarHBondContact O-CD 3.43Å; R749-Y893 HydrophobicContact CB-CD1 4.37Å; R749-Y893 VanDerWaalsContact CD-O 3.3Å; R749-Y893 WeakPolarHBondContact CD-O 3.27Å; R749-Y893 PolarHBondContact NE-O 3.47Å; R749-Y893 WeakPolarHBondContact O-CD1 3.29Å; R749-D894 PolarHBondContact NE-O 2.86Å; R749-D894 PolarHBondContact NH2-O 3.14Å |
| 750 | C | 94.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 120.7 | 177.4 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | W744 | W744-C750 HydrophobicContact CB-CB 3.78Å; W744-C750 HydrophobicContact CD2-CB 3.94Å; W744-C750 HydrophobicContact CE3-CB 4.29Å; W744-C750 HydrophobicContact CG-CB 3.73Å |
| 751 | P | 96.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 166.4 | -179.8 | 32.4 | -34.2 | 0 | 0 | 0 | 112.3 | I724 L727 L728 W744 R749 N892 Y893 | I724-P751 HydrophobicContact CD1-CB 4.28Å; I724-P751 HydrophobicContact CG2-CB 3.79Å; I724-P751 HydrophobicContact CG2-CG 4.04Å; L727-P751 HydrophobicContact CD2-CG 4.01Å; L728-P751 HydrophobicContact CD2-CG 4Å; L728-P751 HydrophobicContact CG-CG 4.3Å; W744-P751 VanDerWaalsContact CH2-CD 3.47Å; W744-P751 HydrophobicContact CH2-CG 4.16Å; R749-P751 WeakPolarHBondContact O-CD 3.43Å; P751-N892 CarbonylContact C-O 3.4Å; P751-N892 WeakPolarHBondContact CA-O 3.44Å; P751-N892 WeakPolarHBondContact CB-O 3.39Å; P751-Y893 HydrophobicContact CB-CD1 3.84Å; P751-Y893 HydrophobicContact CB-CD2 4.33Å; P751-Y893 HydrophobicContact CB-CE1 3.6Å; P751-Y893 HydrophobicContact CB-CE2 4.13Å; P751-Y893 HydrophobicContact CB-CG 4.19Å; P751-Y893 HydrophobicContact CG-CD1 4.42Å; P751-Y893 HydrophobicContact CG-CE1 3.84Å |
| 752 | H | 97.5 | Very high | 92.8 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 30% | 0.296 | 29% | 0.291 | S | S | . | . | trans | -133.3 | 140.3 | 167.8 | 53.5 | 82.2 | 0 | 0 | 0 | 111 | E891 N892 D894 | H752-E891 PolarHBondContact CE1-O 3.18Å; H752-E891 PolarHBondContact NE2-O 3.16Å; H752-N892 PolarHBondContact N-O 2.92Å; H752-N892 PolarHBondContact O-ND2 2.93Å; H752-D894 IonicContact CD2-OD1 3.09Å; H752-D894 IonicContact CD2-OD2 2.83Å; H752-D894 IonicContact CE1-OD1 3.83Å; H752-D894 IonicContact NE2-OD1 3.68Å; H752-D894 PolarHBondContact NE2-OD1 3.15Å; H752-D894 IonicContact NE2-OD2 3.9Å | ||
| 753 | P | 97.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 31% | 0.312 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 131.6 | -178.5 | 28.8 | -33.4 | 0 | 0 | 0 | 110.6 | N721 I724 R725 | N721-P753 WeakPolarHBondContact OD1-CB 3.43Å; I724-P753 HydrophobicContact CB-CB 4.34Å; I724-P753 HydrophobicContact CG2-CB 4.21Å; R725-P753 HydrophobicContact CG-CB 3.91Å; R725-P753 HydrophobicContact CG-CG 4.12Å |
| 754 | L | 97.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 149.4 | 177 | -62 | -179.4 | 0 | 0 | 0 | 111.3 | W716 F720 N721 L888 E891 N892 | W716-L754 HydrophobicContact CH2-CB 3.64Å; W716-L754 HydrophobicContact CZ2-CB 4.04Å; F720-L754 HydrophobicContact CB-CB 4.48Å; F720-L754 HydrophobicContact CB-CD1 4.34Å; F720-L754 PolarHBondContact O-N 3.37Å; N721-L754 PolarHBondContact ND2-O 3.42Å; L754-L888 HydrophobicContact CD1-CD2 4.26Å; L754-L888 WeakPolarHBondContact CD1-O 3.28Å; L754-E891 HydrophobicContact CD1-CB 4.2Å; L754-E891 HydrophobicContact CD1-CG 4.36Å; L754-E891 HydrophobicContact CD2-CB 4.47Å; L754-E891 HydrophobicContact CD2-CG 3.88Å; L754-N892 WeakPolarHBondContact CG-ND2 3.33Å |
| 755 | R | 96.5 | Very high | 94.2 | Very high | 219 Ų | 219 | 53.4 Ų | 53.4 | 83% | 0.826 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 127.1 | 169.1 | -176.7 | 179.4 | 178.2 | -180 | -0.1 | 108.9 | D757 H763 | R755-D757 PolarHBondContact O-N 2.78Å; R755-H763 PolarHBondContact O-CE1 3.05Å |
| 756 | F | 96.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 138.1 | 176.7 | -176.4 | -102.4 | 0 | 0 | 0 | 110.8 | R713 W716 V758 H763 I767 A793 | R713-F756 VanDerWaalsContact NE-CD1 3.27Å; W716-F756 HydrophobicContact CD2-CB 4.42Å; W716-F756 AromaticContact CD2-CD2 3.79Å; W716-F756 HydrophobicContact CD2-CD2 3.79Å; W716-F756 AromaticContact CE2-CD2 3.89Å; W716-F756 HydrophobicContact CE3-CB 3.84Å; W716-F756 HydrophobicContact CE3-CD2 4.05Å; W716-F756 HydrophobicContact CE3-CG 4.39Å; W716-F756 HydrophobicContact CG-CD2 4.21Å; W716-F756 VanDerWaalsContact CH2-CA 3.47Å; W716-F756 HydrophobicContact CH2-CB 3.91Å; W716-F756 HydrophobicContact CZ2-CB 4.42Å; W716-F756 HydrophobicContact CZ2-CD2 4.29Å; W716-F756 HydrophobicContact CZ3-CB 3.59Å; W716-F756 HydrophobicContact CZ3-CD2 4.46Å; F756-V758 HydrophobicContact CE1-CB 4.07Å; F756-V758 HydrophobicContact CZ-CB 4.47Å; F756-H763 HydrophobicContact CD2-CB 4.18Å; F756-H763 HydrophobicContact CE2-CB 3.97Å; F756-I767 HydrophobicContact CE2-CD1 4.09Å; F756-I767 HydrophobicContact CE2-CG1 3.62Å; F756-I767 HydrophobicContact CZ-CG1 4Å; F756-A793 HydrophobicContact CZ-CB 4.33Å |
| 757 | D | 96.3 | Very high | 95.5 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 43% | 0.428 | 25% | 0.252 | S | S | . | . | trans | -141.7 | 119.1 | 175.8 | -178.2 | 2.6 | 0 | 0 | 0 | 107.5 | R755 A759 N760 H763 | R755-D757 PolarHBondContact O-N 2.78Å; D757-A759 PolarHBondContact O-N 3.48Å; D757-A759 WeakPolarHBondContact OD1-CB 3.37Å; D757-A759 PolarHBondContact OD1-N 3.09Å; D757-N760 HydrophobicContact CB-CB 4.19Å; D757-N760 WeakPolarHBondContact O-CB 3.28Å; D757-N760 PolarHBondContact O-N 3.33Å; D757-H763 PolarHBondContact N-ND1 3.35Å; D757-H763 VanDerWaalsContact N-ND1 3.17Å; D757-H763 WeakPolarHBondContact O-CB 3.19Å; D757-H763 PolarHBondContact O-ND1 3.34Å | ||
| 758 | V | 95.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -20.9 | 179.9 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | F756 N760 L764 A790 K794 | F756-V758 HydrophobicContact CE1-CB 4.07Å; F756-V758 HydrophobicContact CZ-CB 4.47Å; V758-N760 VanDerWaalsContact C-N 3.31Å; V758-L764 HydrophobicContact CG2-CD1 4.42Å; V758-A790 HydrophobicContact CG2-CB 3.71Å; V758-K794 HydrophobicContact CB-CG 4.13Å; V758-K794 HydrophobicContact CG1-CD 4.15Å; V758-K794 HydrophobicContact CG1-CG 3.85Å; V758-K794 HydrophobicContact CG2-CD 4.48Å; V758-K794 HydrophobicContact CG2-CG 4.05Å |
| 759 | A | 95.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 65% | 0.653 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D757 T761 | D757-A759 PolarHBondContact O-N 3.48Å; D757-A759 WeakPolarHBondContact OD1-CB 3.37Å; D757-A759 PolarHBondContact OD1-N 3.09Å; A759-T761 PolarHBondContact O-N 3.31Å |
| 760 | N | 96.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | trans | -75.4 | 118.5 | 174.6 | -176.9 | -42 | 0 | 0 | 0 | 109.7 | D757 V758 E762 H763 L764 | D757-N760 HydrophobicContact CB-CB 4.19Å; D757-N760 WeakPolarHBondContact O-CB 3.28Å; D757-N760 PolarHBondContact O-N 3.33Å; V758-N760 VanDerWaalsContact C-N 3.31Å; N760-E762 VanDerWaalsContact C-N 3.34Å; N760-E762 PolarHBondContact O-N 3.5Å; N760-E762 WeakPolarHBondContact OD1-CB 3.23Å; N760-E762 PolarHBondContact OD1-N 2.83Å; N760-H763 HydrophobicContact CB-CB 3.98Å; N760-H763 PolarHBondContact ND2-CD2 3.02Å; N760-H763 PolarHBondContact ND2-NE2 3.42Å; N760-H763 WeakPolarHBondContact O-CB 3.48Å; N760-H763 PolarHBondContact O-N 3.25Å; N760-H763 PolarHBondContact OD1-CD2 3.31Å; N760-H763 PolarHBondContact OD1-N 3.46Å; N760-L764 PolarHBondContact O-N 3.07Å | ||
| 761 | T | 94.9 | Very high | 96.9 | Very high | 88 Ų | 88 | 42.2 Ų | 42.2 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | -175.6 | -50.6 | 0 | 0 | 0 | 0 | 112.7 | A759 L764 R765 | A759-T761 PolarHBondContact O-N 3.31Å; T761-L764 PolarHBondContact O-N 3.26Å; T761-R765 HydrophobicContact CG2-CG 4.39Å; T761-R765 WeakPolarHBondContact O-CB 3.33Å; T761-R765 WeakPolarHBondContact O-CD 3.49Å; T761-R765 WeakPolarHBondContact O-CG 3.37Å; T761-R765 PolarHBondContact O-N 3.37Å |
| 762 | E | 95 | Very high | 97 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 19% | 0.192 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 178.7 | -157 | 78.4 | -159.2 | 0 | 0 | 110.8 | N760 R765 F766 T884 N887 L888 | N760-E762 VanDerWaalsContact C-N 3.34Å; N760-E762 PolarHBondContact O-N 3.5Å; N760-E762 WeakPolarHBondContact OD1-CB 3.23Å; N760-E762 PolarHBondContact OD1-N 2.83Å; E762-R765 PolarHBondContact O-N 3.22Å; E762-F766 PolarHBondContact O-N 3.42Å; E762-F766 VanDerWaalsContact O-N 3.07Å; E762-T884 HydrophobicContact CG-CG2 4.43Å; E762-T884 WeakPolarHBondContact OE1-CA 3.35Å; E762-T884 WeakPolarHBondContact OE1-CG2 3.21Å; E762-N887 HydrophobicContact CG-CB 4.29Å; E762-N887 WeakPolarHBondContact OE1-CB 3.28Å; E762-N887 PolarHBondContact OE1-ND2 3.44Å; E762-N887 VanDerWaalsContact OE1-ND2 3.09Å; E762-L888 HydrophobicContact CG-CD2 4.42Å; E762-L888 HydrophobicContact CG-CG 4.4Å |
| 763 | H | 97.7 | Very high | 97 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 178 | -66.6 | -170.2 | 0 | 0 | 0 | 110.4 | W716 R755 F756 D757 N760 F766 I767 L888 | W716-H763 AromaticContact CZ2-CE1 3.92Å; W716-H763 AromaticContact CZ2-ND1 3.98Å; R755-H763 PolarHBondContact O-CE1 3.05Å; F756-H763 HydrophobicContact CD2-CB 4.18Å; F756-H763 HydrophobicContact CE2-CB 3.97Å; D757-H763 PolarHBondContact N-ND1 3.35Å; D757-H763 VanDerWaalsContact N-ND1 3.17Å; D757-H763 WeakPolarHBondContact O-CB 3.19Å; D757-H763 PolarHBondContact O-ND1 3.34Å; N760-H763 HydrophobicContact CB-CB 3.98Å; N760-H763 PolarHBondContact ND2-CD2 3.02Å; N760-H763 PolarHBondContact ND2-NE2 3.42Å; N760-H763 WeakPolarHBondContact O-CB 3.48Å; N760-H763 PolarHBondContact O-N 3.25Å; N760-H763 PolarHBondContact OD1-CD2 3.31Å; N760-H763 PolarHBondContact OD1-N 3.46Å; H763-F766 PolarHBondContact O-N 2.97Å; H763-I767 WeakPolarHBondContact O-CG1 3.42Å; H763-I767 PolarHBondContact O-N 2.84Å; H763-L888 WeakPolarHBondContact CD2-CD2 3.34Å |
| 764 | L | 97.6 | Very high | 97 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | -179.3 | -177.8 | 59.5 | 0 | 0 | 0 | 112.3 | V758 N760 T761 I767 F768 M786 V789 A790 | V758-L764 HydrophobicContact CG2-CD1 4.42Å; N760-L764 PolarHBondContact O-N 3.07Å; T761-L764 PolarHBondContact O-N 3.26Å; L764-I767 PolarHBondContact O-N 2.76Å; L764-F768 WeakPolarHBondContact O-CB 3.23Å; L764-F768 PolarHBondContact O-N 3.08Å; L764-M786 HydrophobicContact CD2-CG 3.78Å; L764-M786 HydrophobicContact CD2-SD 4.26Å; L764-M786 HydrophobicContact CG-CE 4.4Å; L764-M786 HydrophobicContact CG-CG 3.99Å; L764-M786 HydrophobicContact CG-SD 4.34Å; L764-V789 HydrophobicContact CD1-CG1 4.36Å; L764-A790 HydrophobicContact CD1-CB 3.75Å; L764-A790 HydrophobicContact CD2-CB 3.96Å |
| 765 | R | 96.9 | Very high | 97 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 177 | -77.2 | 165.3 | 167.6 | -134.1 | 11.1 | 112.8 | T761 E762 I767 F768 A769 M786 E880 T884 | T761-R765 HydrophobicContact CG2-CG 4.39Å; T761-R765 WeakPolarHBondContact O-CB 3.33Å; T761-R765 WeakPolarHBondContact O-CD 3.49Å; T761-R765 WeakPolarHBondContact O-CG 3.37Å; T761-R765 PolarHBondContact O-N 3.37Å; E762-R765 PolarHBondContact O-N 3.22Å; R765-I767 PolarHBondContact O-N 3.13Å; R765-F768 PolarHBondContact O-N 3.36Å; R765-A769 WeakPolarHBondContact O-CB 3.31Å; R765-A769 PolarHBondContact O-N 2.95Å; R765-M786 HydrophobicContact CB-CE 4.35Å; R765-M786 HydrophobicContact CG-CE 3.8Å; R765-E880 WeakPolarHBondContact CB-OE1 3.37Å; R765-E880 WeakPolarHBondContact CD-OE1 3.38Å; R765-E880 WeakPolarHBondContact CG-OE1 3.3Å; R765-E880 IonicContact CZ-OE1 3.63Å; R765-E880 IonicContact NE-OE1 3.51Å; R765-E880 IonicContact NH1-OE1 2.71Å; R765-E880 PolarHBondContact NH1-OE1 2.98Å; R765-E880 IonicContact NH1-OE2 2.91Å; R765-T884 HydrophobicContact CB-CG2 3.69Å |
| 766 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 172.2 | 176.3 | -85.4 | 0 | 0 | 0 | 111.4 | Y715 W716 F720 E762 H763 F768 A769 A770 F881 T884 A885 L888 | Y715-F766 HydrophobicContact CD1-CE1 4.49Å; Y715-F766 HydrophobicContact CD1-CZ 4.04Å; W716-F766 HydrophobicContact CB-CD1 4.06Å; W716-F766 HydrophobicContact CB-CE1 3.82Å; W716-F766 AromaticContact CD1-CD1 3.48Å; W716-F766 VanDerWaalsContact CD1-CD1 3.48Å; W716-F766 AromaticContact CD1-CE1 3.97Å; W716-F766 HydrophobicContact CG-CD1 4.18Å; W716-F766 HydrophobicContact CG-CE1 4.31Å; F720-F766 HydrophobicContact CE2-CD1 4.34Å; F720-F766 HydrophobicContact CE2-CD2 4.09Å; F720-F766 HydrophobicContact CE2-CE1 4.04Å; F720-F766 AromaticContact CE2-CE2 3.77Å; F720-F766 HydrophobicContact CE2-CE2 3.77Å; F720-F766 HydrophobicContact CE2-CG 4.35Å; F720-F766 AromaticContact CE2-CZ 3.74Å; F720-F766 HydrophobicContact CE2-CZ 3.74Å; F720-F766 HydrophobicContact CZ-CD2 4.19Å; F720-F766 AromaticContact CZ-CE2 3.8Å; F720-F766 HydrophobicContact CZ-CE2 3.8Å; F720-F766 HydrophobicContact CZ-CZ 4.15Å; E762-F766 PolarHBondContact O-N 3.42Å; E762-F766 VanDerWaalsContact O-N 3.07Å; H763-F766 PolarHBondContact O-N 2.97Å; F766-F768 VanDerWaalsContact C-N 3.31Å; F766-F768 PolarHBondContact O-N 3.36Å; F766-A769 PolarHBondContact O-N 3.34Å; F766-A770 HydrophobicContact CE1-CB 4.27Å; F766-A770 WeakPolarHBondContact O-CB 3.42Å; F766-A770 PolarHBondContact O-N 2.68Å; F766-F881 HydrophobicContact CD2-CE2 4.41Å; F766-F881 HydrophobicContact CE2-CD2 4.3Å; F766-F881 AromaticContact CE2-CE2 3.73Å; F766-F881 HydrophobicContact CE2-CE2 3.73Å; F766-F881 HydrophobicContact CE2-CZ 4.17Å; F766-F881 HydrophobicContact CZ-CE2 4.04Å; F766-T884 WeakPolarHBondContact CA-OG1 3.49Å; F766-A885 HydrophobicContact CD2-CB 3.97Å; F766-A885 HydrophobicContact CE2-CB 3.75Å; F766-L888 HydrophobicContact CB-CD1 3.67Å; F766-L888 HydrophobicContact CD2-CD1 3.94Å; F766-L888 HydrophobicContact CG-CD1 3.81Å |
| 767 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 179.7 | -61.9 | -60.7 | 0 | 0 | 0 | 110.7 | V709 A712 R713 W716 F756 H763 L764 R765 A771 V789 A793 | V709-I767 HydrophobicContact CG1-CG2 4Å; A712-I767 HydrophobicContact CB-CD1 4.4Å; A712-I767 HydrophobicContact CB-CG2 4.17Å; A712-I767 WeakPolarHBondContact O-CD1 3.22Å; R713-I767 HydrophobicContact CB-CD1 4.26Å; W716-I767 HydrophobicContact CB-CD1 3.7Å; W716-I767 HydrophobicContact CG-CD1 4.16Å; F756-I767 HydrophobicContact CE2-CD1 4.09Å; F756-I767 HydrophobicContact CE2-CG1 3.62Å; F756-I767 HydrophobicContact CZ-CG1 4Å; H763-I767 WeakPolarHBondContact O-CG1 3.42Å; H763-I767 PolarHBondContact O-N 2.84Å; L764-I767 PolarHBondContact O-N 2.76Å; R765-I767 PolarHBondContact O-N 3.13Å; I767-A771 WeakPolarHBondContact O-CB 3.39Å; I767-A771 PolarHBondContact O-N 3.02Å; I767-V789 HydrophobicContact CG2-CG1 3.78Å; I767-A793 HydrophobicContact CG2-CB 4.29Å |
| 768 | F | 98 | Very high | 97.1 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 4% | 0.044 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -55.4 | 178.5 | -178.8 | -89.7 | 0 | 0 | 0 | 111.7 | L764 R765 F766 A770 A771 Y772 V783 E784 M786 V789 Y877 | L764-F768 WeakPolarHBondContact O-CB 3.23Å; L764-F768 PolarHBondContact O-N 3.08Å; R765-F768 PolarHBondContact O-N 3.36Å; F766-F768 VanDerWaalsContact C-N 3.31Å; F766-F768 PolarHBondContact O-N 3.36Å; F768-A770 PolarHBondContact O-N 3.18Å; F768-A771 PolarHBondContact O-N 3.09Å; F768-Y772 HydrophobicContact CE1-CD2 4.45Å; F768-Y772 HydrophobicContact CZ-CD2 4.41Å; F768-Y772 VanDerWaalsContact O-CB 3.28Å; F768-Y772 WeakPolarHBondContact O-CB 3.39Å; F768-Y772 PolarHBondContact O-N 3.17Å; F768-V783 WeakPolarHBondContact CE2-O 3.35Å; F768-E784 WeakPolarHBondContact CE2-O 3.48Å; F768-M786 HydrophobicContact CB-CE 3.32Å; F768-M786 HydrophobicContact CD1-CE 4.04Å; F768-M786 HydrophobicContact CD2-CB 4.15Å; F768-M786 HydrophobicContact CD2-CE 3.99Å; F768-M786 HydrophobicContact CD2-CG 4.4Å; F768-M786 HydrophobicContact CE2-CB 4.36Å; F768-M786 HydrophobicContact CG-CE 3.52Å; F768-V789 HydrophobicContact CB-CG1 4.46Å; F768-V789 HydrophobicContact CD2-CB 4.34Å; F768-V789 HydrophobicContact CD2-CG2 3.86Å; F768-V789 HydrophobicContact CE2-CG2 4.37Å; F768-Y877 HydrophobicContact CD1-CD1 4.45Å; F768-Y877 HydrophobicContact CD1-CE1 4.43Å; F768-Y877 HydrophobicContact CE1-CD1 4.01Å; F768-Y877 AromaticContact CE1-CE1 3.65Å; F768-Y877 HydrophobicContact CE1-CE1 3.65Å; F768-Y877 HydrophobicContact CE1-CE2 4.24Å; F768-Y877 HydrophobicContact CE1-CG 4.44Å; F768-Y877 AromaticContact CE1-CZ 3.78Å |
| 769 | A | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R765 F766 A771 Y772 L773 E880 F881 | R765-A769 WeakPolarHBondContact O-CB 3.31Å; R765-A769 PolarHBondContact O-N 2.95Å; F766-A769 PolarHBondContact O-N 3.34Å; A769-A771 PolarHBondContact O-N 3.43Å; A769-Y772 PolarHBondContact O-N 2.78Å; A769-L773 WeakPolarHBondContact O-CB 3.38Å; A769-L773 WeakPolarHBondContact O-CG 3.23Å; A769-L773 PolarHBondContact O-N 2.94Å; A769-E880 HydrophobicContact CB-CB 4.37Å; A769-E880 HydrophobicContact CB-CG 4.29Å; A769-F881 HydrophobicContact CB-CB 3.95Å |
| 770 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F657 W711 A712 F766 F768 R774 F881 | F657-A770 HydrophobicContact CZ-CB 4.45Å; W711-A770 HydrophobicContact CZ3-CB 4.26Å; A712-A770 HydrophobicContact CB-CB 3.84Å; F766-A770 HydrophobicContact CE1-CB 4.27Å; F766-A770 WeakPolarHBondContact O-CB 3.42Å; F766-A770 PolarHBondContact O-N 2.68Å; F768-A770 PolarHBondContact O-N 3.18Å; A770-R774 VanDerWaalsContact O-CB 3.25Å; A770-R774 WeakPolarHBondContact O-CB 3.22Å; A770-R774 PolarHBondContact O-N 2.82Å; A770-F881 HydrophobicContact CB-CD2 4Å; A770-F881 HydrophobicContact CB-CE2 3.88Å |
| 771 | A | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.2 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C708 V709 A712 I767 F768 A769 S775 | C708-A771 HydrophobicContact CB-CB 4.31Å; V709-A771 HydrophobicContact CB-CB 4.36Å; V709-A771 HydrophobicContact CG2-CB 3.81Å; A712-A771 HydrophobicContact CB-CB 4Å; I767-A771 WeakPolarHBondContact O-CB 3.39Å; I767-A771 PolarHBondContact O-N 3.02Å; F768-A771 PolarHBondContact O-N 3.09Å; A769-A771 PolarHBondContact O-N 3.43Å; A771-S775 WeakPolarHBondContact O-CB 3.42Å; A771-S775 PolarHBondContact O-N 2.87Å; A771-S775 PolarHBondContact O-OG 3.43Å |
| 772 | Y | 97.8 | Very high | 97.1 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 17% | 0.169 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -55 | 175.9 | -170.7 | -81 | 0 | 0 | 0 | 110.4 | F768 A769 R774 S775 I776 P782 E784 Y877 | F768-Y772 HydrophobicContact CE1-CD2 4.45Å; F768-Y772 HydrophobicContact CZ-CD2 4.41Å; F768-Y772 VanDerWaalsContact O-CB 3.28Å; F768-Y772 WeakPolarHBondContact O-CB 3.39Å; F768-Y772 PolarHBondContact O-N 3.17Å; A769-Y772 PolarHBondContact O-N 2.78Å; Y772-R774 PolarHBondContact O-N 2.89Å; Y772-S775 WeakPolarHBondContact O-CB 3.2Å; Y772-S775 PolarHBondContact O-N 3.05Å; Y772-S775 VanDerWaalsContact O-N 3.09Å; Y772-I776 HydrophobicContact CD1-CG1 4.13Å; Y772-I776 HydrophobicContact CE1-CD1 4.25Å; Y772-I776 HydrophobicContact CE1-CG1 3.88Å; Y772-I776 PolarHBondContact O-N 2.81Å; Y772-I776 VanDerWaalsContact O-N 3.09Å; Y772-P782 HydrophobicContact CD1-CG 4.42Å; Y772-P782 HydrophobicContact CD2-CB 3.39Å; Y772-P782 HydrophobicContact CD2-CG 3.81Å; Y772-P782 HydrophobicContact CE1-CG 4.28Å; Y772-P782 HydrophobicContact CE2-CB 3.6Å; Y772-P782 HydrophobicContact CE2-CG 3.66Å; Y772-P782 HydrophobicContact CG-CB 4Å; Y772-P782 HydrophobicContact CG-CG 4.19Å; Y772-E784 HydrophobicContact CE2-CG 4.36Å; Y772-Y877 AromaticContact CD1-CD2 3.6Å; Y772-Y877 HydrophobicContact CD1-CD2 3.6Å; Y772-Y877 HydrophobicContact CD1-CE2 4.23Å; Y772-Y877 HydrophobicContact CD1-CG 4.49Å; Y772-Y877 HydrophobicContact CD2-CD2 4.05Å; Y772-Y877 AromaticContact CD2-CE2 3.95Å; Y772-Y877 HydrophobicContact CD2-CE2 3.95Å; Y772-Y877 AromaticContact CE1-CD2 3.64Å; Y772-Y877 HydrophobicContact CE1-CD2 3.64Å; Y772-Y877 AromaticContact CE1-CE2 4Å; Y772-Y877 HydrophobicContact CE1-CE2 4Å; Y772-Y877 HydrophobicContact CE2-CD2 4.07Å; Y772-Y877 AromaticContact CE2-CE2 3.69Å; Y772-Y877 HydrophobicContact CE2-CE2 3.69Å; Y772-Y877 AromaticContact CG-CD2 3.83Å; Y772-Y877 HydrophobicContact CG-CD2 3.83Å; Y772-Y877 HydrophobicContact CG-CE2 4.22Å; Y772-Y877 AromaticContact CZ-CD2 3.88Å; Y772-Y877 AromaticContact CZ-CE2 3.72Å |
| 773 | L | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 178.9 | -65 | 170.4 | 0 | 0 | 0 | 111.9 | F653 F657 A769 S775 I776 M777 I867 N876 F881 | F653-L773 HydrophobicContact CD2-CD1 4.12Å; F653-L773 HydrophobicContact CE2-CD1 3.71Å; F653-L773 HydrophobicContact CE2-CD2 4.41Å; F657-L773 HydrophobicContact CD1-CB 3.85Å; F657-L773 HydrophobicContact CD2-CB 4.26Å; F657-L773 HydrophobicContact CD2-CD1 3.98Å; F657-L773 HydrophobicContact CE1-CB 3.7Å; F657-L773 HydrophobicContact CE2-CB 4.13Å; F657-L773 HydrophobicContact CE2-CD1 3.61Å; F657-L773 HydrophobicContact CG-CB 4.14Å; F657-L773 HydrophobicContact CZ-CB 3.86Å; F657-L773 HydrophobicContact CZ-CD1 3.99Å; A769-L773 WeakPolarHBondContact O-CB 3.38Å; A769-L773 WeakPolarHBondContact O-CG 3.23Å; A769-L773 PolarHBondContact O-N 2.94Å; L773-S775 VanDerWaalsContact C-N 3.26Å; L773-S775 PolarHBondContact O-N 3.45Å; L773-I776 PolarHBondContact O-N 3.1Å; L773-M777 PolarHBondContact O-N 3.09Å; L773-I867 HydrophobicContact CB-CD1 3.96Å; L773-I867 HydrophobicContact CD2-CD1 3.92Å; L773-I867 HydrophobicContact CD2-CG2 4.49Å; L773-I867 VanDerWaalsContact O-CD1 3.26Å; L773-I867 WeakPolarHBondContact O-CD1 3.48Å; L773-N876 WeakPolarHBondContact CD2-O 3.44Å; L773-F881 HydrophobicContact CD1-CB 3.74Å; L773-F881 HydrophobicContact CD1-CD2 4.23Å; L773-F881 HydrophobicContact CD1-CG 4Å |
| 774 | R | 97.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 175.8 | -165 | 72.5 | 170.7 | 176.1 | 2.6 | 111.6 | A656 F657 E700 C708 W711 A770 Y772 M777 Y778 | A656-R774 PolarHBondContact O-NH1 3.49Å; F657-R774 HydrophobicContact CE1-CB 4.39Å; E700-R774 PolarHBondContact O-NH2 3.44Å; E700-R774 IonicContact OE2-NH2 3.22Å; E700-R774 PolarHBondContact OE2-NH2 2.74Å; C708-R774 HydrophobicContact CB-CB 4.17Å; C708-R774 HydrophobicContact CB-CG 4.34Å; W711-R774 HydrophobicContact CD2-CG 4.11Å; W711-R774 HydrophobicContact CE3-CB 4.02Å; W711-R774 HydrophobicContact CE3-CG 3.81Å; W711-R774 HydrophobicContact CZ3-CB 4.12Å; W711-R774 HydrophobicContact CZ3-CG 4.2Å; A770-R774 VanDerWaalsContact O-CB 3.25Å; A770-R774 WeakPolarHBondContact O-CB 3.22Å; A770-R774 PolarHBondContact O-N 2.82Å; Y772-R774 PolarHBondContact O-N 2.89Å; R774-M777 PolarHBondContact O-N 3.1Å; R774-Y778 HydrophobicContact CG-CD2 4.36Å; R774-Y778 HydrophobicContact CG-CE2 4.29Å; R774-Y778 PolarHBondContact NH2-OH 2.71Å; R774-Y778 WeakPolarHBondContact O-CD2 3.48Å; R774-Y778 PolarHBondContact O-N 2.92Å |
| 775 | S | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | C708 A771 Y772 L773 M777 Y778 G779 L780 | C708-S775 WeakPolarHBondContact CB-OG 3.33Å; C708-S775 PolarHBondContact SG-OG 3.09Å; A771-S775 WeakPolarHBondContact O-CB 3.42Å; A771-S775 PolarHBondContact O-N 2.87Å; A771-S775 PolarHBondContact O-OG 3.43Å; Y772-S775 WeakPolarHBondContact O-CB 3.2Å; Y772-S775 PolarHBondContact O-N 3.05Å; Y772-S775 VanDerWaalsContact O-N 3.09Å; L773-S775 VanDerWaalsContact C-N 3.26Å; L773-S775 PolarHBondContact O-N 3.45Å; S775-M777 VanDerWaalsContact C-N 3.34Å; S775-M777 PolarHBondContact O-N 2.91Å; S775-Y778 PolarHBondContact O-N 3.41Å; S775-G779 PolarHBondContact O-N 2.99Å; S775-G779 VanDerWaalsContact O-N 3.11Å; S775-L780 CarbonylContact C-O 3.52Å; S775-L780 PolarHBondContact O-N 3.48Å |
| 776 | I | 97 | Very high | 96.4 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 35% | 0.349 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59 | -45.4 | 175.7 | -61.7 | -57.9 | 0 | 0 | 0 | 111.1 | Y772 L773 Y778 G779 P782 I867 | Y772-I776 HydrophobicContact CD1-CG1 4.13Å; Y772-I776 HydrophobicContact CE1-CD1 4.25Å; Y772-I776 HydrophobicContact CE1-CG1 3.88Å; Y772-I776 PolarHBondContact O-N 2.81Å; Y772-I776 VanDerWaalsContact O-N 3.09Å; L773-I776 PolarHBondContact O-N 3.1Å; I776-Y778 PolarHBondContact O-N 3.31Å; I776-G779 PolarHBondContact O-N 3.26Å; I776-P782 HydrophobicContact CD1-CG 3.72Å; I776-P782 HydrophobicContact CG1-CG 4.2Å; I776-I867 HydrophobicContact CB-CD1 4.15Å; I776-I867 HydrophobicContact CG2-CD1 4.16Å; I776-I867 HydrophobicContact CG2-CG1 4.49Å |
| 777 | M | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.1 | -34.4 | -179.8 | -168.6 | -167.3 | 73.8 | 0 | 0 | 113.2 | A661 L773 R774 S775 F865 I867 | A661-M777 HydrophobicContact CB-CG 3.93Å; A661-M777 HydrophobicContact CB-SD 4.06Å; L773-M777 PolarHBondContact O-N 3.09Å; R774-M777 PolarHBondContact O-N 3.1Å; S775-M777 VanDerWaalsContact C-N 3.34Å; S775-M777 PolarHBondContact O-N 2.91Å; M777-F865 WeakPolarHBondContact CA-O 3.22Å; M777-F865 PolarHBondContact O-N 3.01Å; M777-I867 HydrophobicContact CB-CD1 4.35Å |
| 778 | Y | 96.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 0.7 | 176.4 | -75.7 | -81.5 | 0 | 0 | 0 | 114.4 | V696 E700 R701 P702 R774 S775 I776 L864 | V696-Y778 PolarHBondContact O-OH 2.96Å; E700-Y778 PolarHBondContact O-OH 3.04Å; R701-Y778 HydrophobicContact CB-CE1 4.32Å; R701-Y778 HydrophobicContact CG-CD1 4.28Å; R701-Y778 HydrophobicContact CG-CE1 3.93Å; P702-Y778 VanDerWaalsContact CD-CD2 3.42Å; P702-Y778 VanDerWaalsContact CD-CZ 3.46Å; P702-Y778 HydrophobicContact CG-CD1 4.26Å; P702-Y778 HydrophobicContact CG-CD2 3.43Å; P702-Y778 VanDerWaalsContact CG-CD2 3.43Å; P702-Y778 HydrophobicContact CG-CE2 3.81Å; P702-Y778 HydrophobicContact CG-CG 3.68Å; R774-Y778 HydrophobicContact CG-CD2 4.36Å; R774-Y778 HydrophobicContact CG-CE2 4.29Å; R774-Y778 PolarHBondContact NH2-OH 2.71Å; R774-Y778 WeakPolarHBondContact O-CD2 3.48Å; R774-Y778 PolarHBondContact O-N 2.92Å; S775-Y778 PolarHBondContact O-N 3.41Å; I776-Y778 PolarHBondContact O-N 3.31Å; Y778-L864 HydrophobicContact CD1-CD2 3.3Å; Y778-L864 HydrophobicContact CE1-CD1 4.48Å; Y778-L864 HydrophobicContact CE1-CD2 3.51Å; Y778-L864 HydrophobicContact CG-CD2 4.11Å |
| 779 | G | 95 | Very high | 96 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 31.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S775 I776 | S775-G779 PolarHBondContact O-N 2.99Å; S775-G779 VanDerWaalsContact O-N 3.11Å; I776-G779 PolarHBondContact O-N 3.26Å |
| 780 | L | 95.6 | Very high | 96 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -98.5 | 147.9 | 175 | -60.8 | 177.7 | 0 | 0 | 0 | 110.3 | P702 S775 P782 | P702-L780 HydrophobicContact CB-CD1 3.99Å; P702-L780 HydrophobicContact CG-CD1 3.79Å; S775-L780 CarbonylContact C-O 3.52Å; S775-L780 PolarHBondContact O-N 3.48Å; L780-P782 WeakPolarHBondContact O-CD 3.42Å |
| 781 | K | 96 | Very high | 95.9 | Very high | 169 Ų | 169 | 44.1 Ų | 44.1 | 74% | 0.735 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -70.9 | 119.6 | 172.8 | -173.2 | 179.3 | 180 | -177.4 | 0 | 109.5 | A705 | A705-K781 WeakPolarHBondContact CB-O 3.43Š|
| 782 | P | 95.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 157 | -178.7 | -20.6 | 32.5 | 0 | 0 | 0 | 113.6 | Y772 I776 L780 E784 | Y772-P782 HydrophobicContact CD1-CG 4.42Å; Y772-P782 HydrophobicContact CD2-CB 3.39Å; Y772-P782 HydrophobicContact CD2-CG 3.81Å; Y772-P782 HydrophobicContact CE1-CG 4.28Å; Y772-P782 HydrophobicContact CE2-CB 3.6Å; Y772-P782 HydrophobicContact CE2-CG 3.66Å; Y772-P782 HydrophobicContact CG-CB 4Å; Y772-P782 HydrophobicContact CG-CG 4.19Å; I776-P782 HydrophobicContact CD1-CG 3.72Å; I776-P782 HydrophobicContact CG1-CG 4.2Å; L780-P782 WeakPolarHBondContact O-CD 3.42Å; P782-E784 PolarHBondContact O-N 3.38Å |
| 783 | V | 94.7 | Very high | 95.7 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | trans | -78.6 | 104.9 | 163.7 | -175.6 | 0 | 0 | 0 | 0 | 108 | A705 F768 V789 | A705-V783 HydrophobicContact CB-CG2 3.79Å; F768-V783 WeakPolarHBondContact CE2-O 3.35Å; V783-V789 HydrophobicContact CB-CG2 3.98Å; V783-V789 HydrophobicContact CG1-CG2 3.75Å | ||
| 784 | E | 91.9 | Very high | 95.5 | Very high | 123 Ų | 123 | 48.3 Ų | 48.3 | 58% | 0.575 | 26% | 0.263 | S | S | * | . | trans | -83.4 | -20.6 | -175.8 | -68.2 | 173.2 | -178.4 | 0 | 0 | 113.5 | F768 Y772 P782 M786 | F768-E784 WeakPolarHBondContact CE2-O 3.48Å; Y772-E784 HydrophobicContact CE2-CG 4.36Å; P782-E784 PolarHBondContact O-N 3.38Å; E784-M786 PolarHBondContact O-N 2.83Å | ||
| 785 | D | 93.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 56.3 Ų | 56.3 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | trans | -84.2 | 114.7 | 178.1 | 172.6 | 45.8 | 0 | 0 | 0 | 111.4 | S787 S788 V789 | D785-S787 PolarHBondContact O-N 3.12Å; D785-S787 PolarHBondContact OD1-N 3.49Å; D785-S787 PolarHBondContact OD1-OG 2.83Å; D785-S787 WeakPolarHBondContact OD2-CB 3.25Å; D785-S788 WeakPolarHBondContact O-CB 3.41Å; D785-S788 PolarHBondContact O-N 3.44Å; D785-S788 VanDerWaalsContact OD2-CB 3.31Å; D785-S788 WeakPolarHBondContact OD2-CB 3.23Å; D785-S788 PolarHBondContact OD2-N 3.18Å; D785-S788 PolarHBondContact OD2-OG 3.06Å; D785-V789 PolarHBondContact O-N 3.39Å; D785-V789 VanDerWaalsContact O-N 3.13Å | ||
| 786 | M | 93 | Very high | 95.2 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64 | -26.9 | -179.9 | -174.8 | 161.9 | -101.3 | 0 | 0 | 112.8 | L764 R765 F768 E784 V789 A790 | L764-M786 HydrophobicContact CD2-CG 3.78Å; L764-M786 HydrophobicContact CD2-SD 4.26Å; L764-M786 HydrophobicContact CG-CE 4.4Å; L764-M786 HydrophobicContact CG-CG 3.99Å; L764-M786 HydrophobicContact CG-SD 4.34Å; R765-M786 HydrophobicContact CB-CE 4.35Å; R765-M786 HydrophobicContact CG-CE 3.8Å; F768-M786 HydrophobicContact CB-CE 3.32Å; F768-M786 HydrophobicContact CD1-CE 4.04Å; F768-M786 HydrophobicContact CD2-CB 4.15Å; F768-M786 HydrophobicContact CD2-CE 3.99Å; F768-M786 HydrophobicContact CD2-CG 4.4Å; F768-M786 HydrophobicContact CE2-CB 4.36Å; F768-M786 HydrophobicContact CG-CE 3.52Å; E784-M786 PolarHBondContact O-N 2.83Å; M786-V789 PolarHBondContact O-N 2.87Å; M786-A790 PolarHBondContact O-N 3.25Å |
| 787 | S | 94.7 | Very high | 94.9 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 176.1 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | D785 V789 A790 D791 | D785-S787 PolarHBondContact O-N 3.12Å; D785-S787 PolarHBondContact OD1-N 3.49Å; D785-S787 PolarHBondContact OD1-OG 2.83Å; D785-S787 WeakPolarHBondContact OD2-CB 3.25Å; S787-V789 VanDerWaalsContact C-N 3.35Å; S787-V789 PolarHBondContact O-N 3.04Å; S787-A790 WeakPolarHBondContact O-CB 3.05Å; S787-A790 PolarHBondContact O-N 3.18Å; S787-D791 PolarHBondContact O-N 3.43Å |
| 788 | S | 95.2 | Very high | 94.6 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 174.4 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | D785 A790 D791 I792 | D785-S788 WeakPolarHBondContact O-CB 3.41Å; D785-S788 PolarHBondContact O-N 3.44Å; D785-S788 VanDerWaalsContact OD2-CB 3.31Å; D785-S788 WeakPolarHBondContact OD2-CB 3.23Å; D785-S788 PolarHBondContact OD2-N 3.18Å; D785-S788 PolarHBondContact OD2-OG 3.06Å; S788-A790 VanDerWaalsContact C-N 3.33Å; S788-A790 PolarHBondContact O-N 3.2Å; S788-D791 PolarHBondContact O-N 3.24Å; S788-I792 WeakPolarHBondContact O-CG1 3.22Å; S788-I792 PolarHBondContact O-N 3.07Å |
| 789 | V | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 174 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | V709 L764 I767 F768 V783 D785 M786 S787 D791 I792 A793 | V709-V789 HydrophobicContact CG1-CG1 3.98Å; V709-V789 HydrophobicContact CG2-CG1 4.33Å; V709-V789 HydrophobicContact CG2-CG2 4.21Å; L764-V789 HydrophobicContact CD1-CG1 4.36Å; I767-V789 HydrophobicContact CG2-CG1 3.78Å; F768-V789 HydrophobicContact CB-CG1 4.46Å; F768-V789 HydrophobicContact CD2-CB 4.34Å; F768-V789 HydrophobicContact CD2-CG2 3.86Å; F768-V789 HydrophobicContact CE2-CG2 4.37Å; V783-V789 HydrophobicContact CB-CG2 3.98Å; V783-V789 HydrophobicContact CG1-CG2 3.75Å; D785-V789 PolarHBondContact O-N 3.39Å; D785-V789 VanDerWaalsContact O-N 3.13Å; M786-V789 PolarHBondContact O-N 2.87Å; S787-V789 VanDerWaalsContact C-N 3.35Å; S787-V789 PolarHBondContact O-N 3.04Å; V789-D791 VanDerWaalsContact C-N 3.33Å; V789-D791 PolarHBondContact O-N 3.01Å; V789-I792 PolarHBondContact O-N 3.47Å; V789-A793 VanDerWaalsContact O-CB 3.24Å; V789-A793 WeakPolarHBondContact O-CB 3.3Å; V789-A793 PolarHBondContact O-N 3.2Å |
| 790 | A | 96.2 | Very high | 93.9 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V758 L764 M786 S787 S788 A793 K794 | V758-A790 HydrophobicContact CG2-CB 3.71Å; L764-A790 HydrophobicContact CD1-CB 3.75Å; L764-A790 HydrophobicContact CD2-CB 3.96Å; M786-A790 PolarHBondContact O-N 3.25Å; S787-A790 WeakPolarHBondContact O-CB 3.05Å; S787-A790 PolarHBondContact O-N 3.18Å; S788-A790 VanDerWaalsContact C-N 3.33Å; S788-A790 PolarHBondContact O-N 3.2Å; A790-A793 PolarHBondContact O-N 3.31Å; A790-K794 WeakPolarHBondContact O-CG 3.38Å; A790-K794 PolarHBondContact O-N 2.99Å; A790-K794 VanDerWaalsContact O-N 3.07Å |
| 791 | D | 96.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.3 | -37.7 | 179.7 | -75.7 | -16.7 | 0 | 0 | 0 | 112.8 | S787 S788 V789 K794 R795 | S787-D791 PolarHBondContact O-N 3.43Å; S788-D791 PolarHBondContact O-N 3.24Å; V789-D791 VanDerWaalsContact C-N 3.33Å; V789-D791 PolarHBondContact O-N 3.01Å; D791-K794 IonicContact OD1-NZ 2.61Å; D791-K794 PolarHBondContact OD1-NZ 2.98Å; D791-R795 WeakPolarHBondContact O-CG 3.2Å; D791-R795 PolarHBondContact O-NE 2.81Å |
| 792 | I | 96 | Very high | 93.2 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 172.2 | -62.3 | 159.2 | 0 | 0 | 0 | 109.6 | E706 V709 S788 V789 K794 R795 V796 | E706-I792 HydrophobicContact CB-CD1 4.2Å; E706-I792 HydrophobicContact CG-CD1 3.75Å; V709-I792 HydrophobicContact CB-CB 4.37Å; V709-I792 HydrophobicContact CB-CG2 3.81Å; V709-I792 HydrophobicContact CG1-CB 3.93Å; V709-I792 HydrophobicContact CG1-CG2 3.7Å; V709-I792 HydrophobicContact CG2-CD1 4.33Å; S788-I792 WeakPolarHBondContact O-CG1 3.22Å; S788-I792 PolarHBondContact O-N 3.07Å; V789-I792 PolarHBondContact O-N 3.47Å; I792-K794 VanDerWaalsContact C-N 3.27Å; I792-K794 PolarHBondContact O-N 3.22Å; I792-R795 PolarHBondContact O-N 2.97Å; I792-V796 WeakPolarHBondContact O-CG2 3.3Å; I792-V796 PolarHBondContact O-N 3.16Å |
| 793 | A | 95.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.4 | -34.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V709 F756 I767 V789 A790 R795 | V709-A793 HydrophobicContact CG1-CB 4.32Å; F756-A793 HydrophobicContact CZ-CB 4.33Å; I767-A793 HydrophobicContact CG2-CB 4.29Å; V789-A793 VanDerWaalsContact O-CB 3.24Å; V789-A793 WeakPolarHBondContact O-CB 3.3Å; V789-A793 PolarHBondContact O-N 3.2Å; A790-A793 PolarHBondContact O-N 3.31Å; A793-R795 VanDerWaalsContact C-N 3.32Å; A793-R795 PolarHBondContact O-N 3.35Å |
| 794 | K | 95.2 | Very high | 92 | Very high | 124 Ų | 124 | 67.5 Ų | 67.5 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -31.6 | 173.5 | -76.9 | 169 | -169 | 159.9 | 0 | 113.5 | V758 A790 D791 I792 | V758-K794 HydrophobicContact CB-CG 4.13Å; V758-K794 HydrophobicContact CG1-CD 4.15Å; V758-K794 HydrophobicContact CG1-CG 3.85Å; V758-K794 HydrophobicContact CG2-CD 4.48Å; V758-K794 HydrophobicContact CG2-CG 4.05Å; A790-K794 WeakPolarHBondContact O-CG 3.38Å; A790-K794 PolarHBondContact O-N 2.99Å; A790-K794 VanDerWaalsContact O-N 3.07Å; D791-K794 IonicContact OD1-NZ 2.61Å; D791-K794 PolarHBondContact OD1-NZ 2.98Å; I792-K794 VanDerWaalsContact C-N 3.27Å; I792-K794 PolarHBondContact O-N 3.22Å |
| 795 | R | 94.5 | Very high | 91.3 | Very high | 172 Ų | 172 | 66.7 Ų | 66.7 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -86.6 | -12.3 | -175.5 | -67.5 | -174.8 | -66.5 | -117.6 | 4.7 | 113.3 | D791 I792 A793 S797 | D791-R795 WeakPolarHBondContact O-CG 3.2Å; D791-R795 PolarHBondContact O-NE 2.81Å; I792-R795 PolarHBondContact O-N 2.97Å; A793-R795 VanDerWaalsContact C-N 3.32Å; A793-R795 PolarHBondContact O-N 3.35Å; R795-S797 PolarHBondContact O-N 2.86Å |
| 796 | V | 93.5 | Very high | 90.3 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 124.2 | -178.5 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | V710 R713 I792 V798 | V710-V796 HydrophobicContact CB-CG2 4.44Å; V710-V796 HydrophobicContact CG1-CG1 4.11Å; V710-V796 HydrophobicContact CG2-CG2 4.07Å; R713-V796 HydrophobicContact CB-CB 4.28Å; R713-V796 HydrophobicContact CB-CG1 4.17Å; R713-V796 HydrophobicContact CB-CG2 4.04Å; R713-V796 HydrophobicContact CG-CB 3.83Å; R713-V796 HydrophobicContact CG-CG1 3.88Å; R713-V796 HydrophobicContact CG-CG2 4.05Å; I792-V796 WeakPolarHBondContact O-CG2 3.3Å; I792-V796 PolarHBondContact O-N 3.16Å; V796-V798 HydrophobicContact CG1-CG2 4.35Å; V796-V798 PolarHBondContact O-N 3.29Å |
| 797 | S | 91.4 | Very high | 89.3 | Confident | 111 Ų | 111 | 65 Ų | 65 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 117.4 | 168.8 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | R795 | R795-S797 PolarHBondContact O-N 2.86Š|
| 798 | V | 89.8 | Confident | 88.4 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 121.5 | -176.9 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | R713 E717 Y722 V796 | R713-V798 HydrophobicContact CG-CG2 4.33Å; E717-V798 HydrophobicContact CB-CG1 4.16Å; E717-V798 HydrophobicContact CG-CG1 3.67Å; Y722-V798 WeakPolarHBondContact OH-CG1 3.37Å; V796-V798 HydrophobicContact CG1-CG2 4.35Å; V796-V798 PolarHBondContact O-N 3.29Å |
| 799 | P | 88.4 | Confident | 87.6 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 143.1 | -178.7 | -21.8 | 31.5 | 0 | 0 | 0 | 112.1 | N714 Y722 | N714-P799 VanDerWaalsContact OD1-CD 3.32Å; N714-P799 WeakPolarHBondContact OD1-CD 3.22Å; Y722-P799 PolarHBondContact OH-O 3.41Å |
| 800 | S | 88.1 | Confident | 86.7 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 69% | 0.692 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 144.1 | 174.2 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 801 | F | 88.9 | Confident | 85.9 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 128.2 | 176.3 | 174.9 | -97.6 | 0 | 0 | 0 | 112.3 | Y722 R725 Q726 P803 F831 | Y722-F801 HydrophobicContact CD1-CB 3.29Å; Y722-F801 HydrophobicContact CD1-CD1 4.28Å; Y722-F801 HydrophobicContact CD1-CD2 4.03Å; Y722-F801 AromaticContact CD1-CG 3.6Å; Y722-F801 HydrophobicContact CD1-CG 3.6Å; Y722-F801 HydrophobicContact CD2-CB 4.07Å; Y722-F801 AromaticContact CD2-CD2 3.89Å; Y722-F801 HydrophobicContact CD2-CD2 3.89Å; Y722-F801 HydrophobicContact CD2-CG 4.25Å; Y722-F801 HydrophobicContact CE1-CB 3.36Å; Y722-F801 HydrophobicContact CE1-CG 4.2Å; Y722-F801 HydrophobicContact CE2-CB 4.1Å; Y722-F801 HydrophobicContact CG-CB 3.69Å; Y722-F801 AromaticContact CG-CD2 3.55Å; Y722-F801 HydrophobicContact CG-CD2 3.55Å; Y722-F801 HydrophobicContact CG-CE2 4.35Å; Y722-F801 AromaticContact CG-CG 3.65Å; Y722-F801 HydrophobicContact CG-CG 3.65Å; Y722-F801 WeakPolarHBondContact O-CZ 3.34Å; R725-F801 HydrophobicContact CB-CD1 3.76Å; R725-F801 HydrophobicContact CB-CE1 3.45Å; R725-F801 VanDerWaalsContact CB-CE1 3.45Å; R725-F801 HydrophobicContact CB-CZ 4.47Å; R725-F801 HydrophobicContact CG-CD1 4.45Å; Q726-F801 HydrophobicContact CB-CZ 3.91Å; F801-P803 HydrophobicContact CE1-CB 3.94Å; F801-P803 HydrophobicContact CZ-CB 4.21Å; F801-F831 AromaticContact CD2-CE2 3.88Å; F801-F831 HydrophobicContact CD2-CE2 3.88Å; F801-F831 HydrophobicContact CD2-CZ 4.25Å; F801-F831 HydrophobicContact CE2-CE2 4.22Å |
| 802 | E | 88.7 | Confident | 85 | Confident | 147 Ų | 147 | 67.6 Ų | 67.6 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | trans | -116.3 | 124.3 | 169.8 | -68.1 | -176.2 | 174.5 | 0 | 0 | 109.2 | ||||
| 803 | P | 83.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 141.5 | 178.3 | 27.7 | -32.6 | 0 | 0 | 0 | 111.2 | H729 F801 | H729-P803 HydrophobicContact CB-CB 3.59Å; H729-P803 HydrophobicContact CB-CG 4.16Å; F801-P803 HydrophobicContact CE1-CB 3.94Å; F801-P803 HydrophobicContact CZ-CB 4.21Å |
| 804 | K | 81.6 | Confident | 82.9 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 28% | 0.278 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 135.5 | -178.7 | -64.4 | 179.9 | -177.4 | 179.3 | 0 | 111.1 | Q726 V807 F834 | Q726-K804 PolarHBondContact NE2-O 2.84Å; K804-V807 HydrophobicContact CB-CG2 3.99Å; K804-F834 VanDerWaalsContact NZ-CD2 3.28Å |
| 805 | S | 77.4 | Confident | 82.1 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 74% | 0.741 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 144.1 | 169.3 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 806 | G | 72.5 | Confident | 80.9 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 78% | 0.784 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -2.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K808 | G806-K808 PolarHBondContact O-N 3.33Š|
| 807 | V | 72.7 | Confident | 79.7 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 18% | 0.176 | 42% | 0.416 | C | S | . | . | trans | -67 | 119 | 169.1 | -179 | 0 | 0 | 0 | 0 | 108.3 | N730 K804 I809 | N730-V807 PolarHBondContact ND2-O 2.98Å; K804-V807 HydrophobicContact CB-CG2 3.99Å; V807-I809 HydrophobicContact CG1-CG1 4.3Å | ||
| 808 | K | 74.7 | Confident | 78.6 | Confident | 134 Ų | 134 | 72.7 Ų | 72.7 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | trans | -85 | 132.2 | 172.1 | -72.8 | -176.1 | -173.9 | 171.4 | 0 | 109.8 | G806 M819 D823 | G806-K808 PolarHBondContact O-N 3.33Å; K808-M819 HydrophobicContact CB-CE 3.59Å; K808-M819 HydrophobicContact CB-SD 4.19Å; K808-D823 IonicContact NZ-OD2 3.81Å; K808-D823 PolarHBondContact NZ-OD2 3.25Å | ||
| 809 | I | 77.9 | Confident | 77.4 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | trans | -121.8 | 118.4 | 174.2 | -60.8 | -179.1 | 0 | 0 | 0 | 106.9 | N637 L727 N730 F731 V807 V811 | N637-I809 HydrophobicContact CB-CG2 4.33Å; N637-I809 WeakPolarHBondContact ND2-CG2 2.82Å; L727-I809 HydrophobicContact CD1-CD1 3.71Å; L727-I809 HydrophobicContact CD1-CG2 4.18Å; N730-I809 HydrophobicContact CB-CD1 3.86Å; F731-I809 HydrophobicContact CE2-CB 3.83Å; F731-I809 HydrophobicContact CE2-CD1 4.37Å; F731-I809 HydrophobicContact CE2-CG2 3.9Å; F731-I809 HydrophobicContact CZ-CB 4.31Å; V807-I809 HydrophobicContact CG1-CG1 4.3Å; I809-V811 PolarHBondContact O-N 3.12Å | ||
| 810 | A | 78.2 | Confident | 75.9 | Confident | 10 Ų | 10 | 73.6 Ų | 73.6 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | trans | -65.4 | 127.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E815 A816 M819 | A810-E815 HydrophobicContact CB-CB 3.94Å; A810-A816 HydrophobicContact CB-CB 3.74Å; A810-M819 HydrophobicContact CB-SD 3.9Å | ||
| 811 | V | 79.2 | Confident | 74.2 | Confident | 34 Ų | 34 | 73 Ų | 73 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -89.6 | -33.4 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | F731 F743 I809 E815 | F731-V811 HydrophobicContact CE1-CG2 3.76Å; F731-V811 HydrophobicContact CE2-CG2 4.45Å; F731-V811 HydrophobicContact CZ-CG2 3.48Å; F731-V811 VanDerWaalsContact CZ-CG2 3.48Å; F743-V811 HydrophobicContact CE2-CG1 4.07Å; F743-V811 HydrophobicContact CE2-CG2 4.38Å; F743-V811 HydrophobicContact CZ-CG1 4.36Å; I809-V811 PolarHBondContact O-N 3.12Å; V811-E815 PolarHBondContact N-OE2 2.93Å |
| 812 | T | 77.7 | Confident | 72.1 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 36% | 0.356 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -115.1 | 162.1 | 179 | 68.7 | 0 | 0 | 0 | 0 | 112 | E814 E815 A816 | T812-E814 VanDerWaalsContact C-N 3.32Å; T812-E815 PolarHBondContact N-OE2 2.74Å; T812-E815 PolarHBondContact O-N 2.86Å; T812-E815 WeakPolarHBondContact OG1-CB 3.39Å; T812-E815 VanDerWaalsContact OG1-CG 3.3Å; T812-E815 WeakPolarHBondContact OG1-CG 3.45Å; T812-E815 PolarHBondContact OG1-N 3.29Å; T812-E815 VanDerWaalsContact OG1-N 3.14Å; T812-A816 PolarHBondContact O-N 2.72Å |
| 813 | E | 72.2 | Confident | 69.8 | Low | 87 Ų | 87 | 75.9 Ų | 75.9 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 175.1 | -172.5 | 159.7 | -145.5 | 0 | 0 | 112.1 | A816 T817 | E813-A816 PolarHBondContact O-N 3.13Å; E813-T817 WeakPolarHBondContact O-CB 3.36Å; E813-T817 PolarHBondContact O-N 2.77Å; E813-T817 PolarHBondContact O-OG1 3.44Å |
| 814 | E | 75.5 | Confident | 67.5 | Low | 135 Ų | 135 | 75.5 Ų | 75.5 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 173.4 | -65.9 | 173.6 | -174.8 | 0 | 0 | 111.7 | T812 T817 R818 | T812-E814 VanDerWaalsContact C-N 3.32Å; E814-T817 PolarHBondContact O-N 3.37Å; E814-R818 WeakPolarHBondContact O-CG 3.14Å; E814-R818 PolarHBondContact O-N 2.75Å; E814-R818 IonicContact OE2-NH2 3.4Å |
| 815 | E | 77.4 | Confident | 65.1 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 40% | 0.402 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 173.7 | -76.2 | 173.3 | -176.9 | 0 | 0 | 111.6 | A810 V811 T812 T817 R818 M819 | A810-E815 HydrophobicContact CB-CB 3.94Å; V811-E815 PolarHBondContact N-OE2 2.93Å; T812-E815 PolarHBondContact N-OE2 2.74Å; T812-E815 PolarHBondContact O-N 2.86Å; T812-E815 WeakPolarHBondContact OG1-CB 3.39Å; T812-E815 VanDerWaalsContact OG1-CG 3.3Å; T812-E815 WeakPolarHBondContact OG1-CG 3.45Å; T812-E815 PolarHBondContact OG1-N 3.29Å; T812-E815 VanDerWaalsContact OG1-N 3.14Å; E815-T817 VanDerWaalsContact C-N 3.35Å; E815-T817 PolarHBondContact O-N 3.01Å; E815-R818 PolarHBondContact O-N 3.48Å; E815-M819 WeakPolarHBondContact O-CB 3.48Å; E815-M819 VanDerWaalsContact O-CG 3.28Å; E815-M819 WeakPolarHBondContact O-CG 3.21Å; E815-M819 PolarHBondContact O-N 3.41Å |
| 816 | A | 69.2 | Low | 62.9 | Low | 12 Ų | 12 | 75.5 Ų | 75.5 | 10% | 0.099 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A810 T812 E813 M819 N820 | A810-A816 HydrophobicContact CB-CB 3.74Å; T812-A816 PolarHBondContact O-N 2.72Å; E813-A816 PolarHBondContact O-N 3.13Å; A816-M819 PolarHBondContact O-N 3.12Å; A816-N820 PolarHBondContact O-N 2.99Å; A816-N820 VanDerWaalsContact O-N 3.1Å |
| 817 | T | 69.3 | Low | 61.2 | Low | 85 Ų | 85 | 75.9 Ų | 75.9 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | E813 E814 E815 N820 S821 | E813-T817 WeakPolarHBondContact O-CB 3.36Å; E813-T817 PolarHBondContact O-N 2.77Å; E813-T817 PolarHBondContact O-OG1 3.44Å; E814-T817 PolarHBondContact O-N 3.37Å; E815-T817 VanDerWaalsContact C-N 3.35Å; E815-T817 PolarHBondContact O-N 3.01Å; T817-N820 PolarHBondContact O-N 2.85Å; T817-S821 PolarHBondContact O-N 3.43Å; T817-S821 VanDerWaalsContact O-N 3.13Å; T817-S821 PolarHBondContact O-OG 2.93Å |
| 818 | R | 68.2 | Low | 59.3 | Low | 145 Ų | 145 | 79.6 Ų | 79.6 | 55% | 0.547 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 174 | -71.8 | -178.1 | -147.9 | -179.9 | 8.3 | 112 | E814 E815 N820 S821 E822 | E814-R818 WeakPolarHBondContact O-CG 3.14Å; E814-R818 PolarHBondContact O-N 2.75Å; E814-R818 IonicContact OE2-NH2 3.4Å; E815-R818 PolarHBondContact O-N 3.48Å; R818-N820 PolarHBondContact O-N 3.24Å; R818-S821 WeakPolarHBondContact CA-OG 3.45Å; R818-S821 PolarHBondContact O-N 2.9Å; R818-S821 PolarHBondContact O-OG 2.85Å; R818-E822 PolarHBondContact O-N 2.98Å |
| 819 | M | 63.9 | Low | 57.2 | Low | 48 Ų | 48 | 76.2 Ų | 76.2 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.2 | -27.7 | 176 | -76.6 | -175.2 | 68.2 | 0 | 0 | 113.2 | K808 A810 E815 A816 R827 | K808-M819 HydrophobicContact CB-CE 3.59Å; K808-M819 HydrophobicContact CB-SD 4.19Å; A810-M819 HydrophobicContact CB-SD 3.9Å; E815-M819 WeakPolarHBondContact O-CB 3.48Å; E815-M819 VanDerWaalsContact O-CG 3.28Å; E815-M819 WeakPolarHBondContact O-CG 3.21Å; E815-M819 PolarHBondContact O-N 3.41Å; A816-M819 PolarHBondContact O-N 3.12Å; M819-R827 PolarHBondContact O-NH2 2.87Å |
| 820 | N | 57.6 | Low | 55.2 | Low | 74 Ų | 74 | 76 Ų | 76 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -83.3 | -18.1 | 174.5 | -79.5 | -21.2 | 0 | 0 | 0 | 114.3 | A816 T817 R818 R827 | A816-N820 PolarHBondContact O-N 2.99Å; A816-N820 VanDerWaalsContact O-N 3.1Å; T817-N820 PolarHBondContact O-N 2.85Å; R818-N820 PolarHBondContact O-N 3.24Å; N820-R827 PolarHBondContact OD1-NH1 3.43Å; N820-R827 PolarHBondContact OD1-NH2 2.79Å |
| 821 | S | 51.5 | Low | 53 | Low | 88 Ų | 88 | 80 Ų | 80 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -107.1 | -27.4 | -175.6 | 40.6 | 0 | 0 | 0 | 0 | 113.9 | T817 R818 | T817-S821 PolarHBondContact O-N 3.43Å; T817-S821 VanDerWaalsContact O-N 3.13Å; T817-S821 PolarHBondContact O-OG 2.93Å; R818-S821 WeakPolarHBondContact CA-OG 3.45Å; R818-S821 PolarHBondContact O-N 2.9Å; R818-S821 PolarHBondContact O-OG 2.85Å |
| 822 | E | 45.5 | Very low | 50.8 | Low | 159 Ų | 159 | 84.1 Ų | 84.1 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -122.3 | -15.3 | -166.8 | -65.9 | -174.2 | 152.6 | 0 | 0 | 116.1 | R818 | R818-E822 PolarHBondContact O-N 2.98Š|
| 823 | D | 40 | Very low | 48.7 | Very low | 74 Ų | 74 | 83.8 Ų | 83.8 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | trans | -127.5 | 113.8 | -166.1 | -142.1 | -1.9 | 0 | 0 | 0 | 114.1 | K808 G825 | K808-D823 IonicContact NZ-OD2 3.81Å; K808-D823 PolarHBondContact NZ-OD2 3.25Å; D823-G825 PolarHBondContact O-N 3.24Å; D823-G825 VanDerWaalsContact O-N 3.16Å | ||
| 824 | G | 35.4 | Very low | 47.1 | Very low | 50 Ų | 50 | 83.9 Ų | 83.9 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | trans | -76.2 | 30.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 825 | G | 30.7 | Very low | 45.2 | Very low | 35 Ų | 35 | 84.5 Ų | 84.5 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | trans | -70.8 | 142.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D823 R827 | D823-G825 PolarHBondContact O-N 3.24Å; D823-G825 VanDerWaalsContact O-N 3.16Å; G825-R827 PolarHBondContact O-N 2.93Å | ||
| 826 | L | 32 | Very low | 43.1 | Very low | 134 Ų | 134 | 85 Ų | 85 | 70% | 0.702 | 47% | 0.465 | S | S | * | . | trans | -42.6 | 103.4 | 177.2 | -96.1 | 97.8 | 0 | 0 | 0 | 111.6 | ||||
| 827 | R | 36.7 | Very low | 41.6 | Very low | 84 Ų | 84 | 85.6 Ų | 85.6 | 32% | 0.317 | 47% | 0.468 | S | S | . | . | trans | -85.4 | 148.7 | 167.1 | -65.8 | -177.1 | -179.9 | -154.2 | -5.3 | 108.4 | M819 N820 G825 V829 | M819-R827 PolarHBondContact O-NH2 2.87Å; N820-R827 PolarHBondContact OD1-NH1 3.43Å; N820-R827 PolarHBondContact OD1-NH2 2.79Å; G825-R827 PolarHBondContact O-N 2.93Å; R827-V829 PolarHBondContact O-N 2.77Å | ||
| 828 | P | 33.1 | Very low | 40.3 | Very low | 108 Ų | 108 | 84 Ų | 84 | 70% | 0.701 | 46% | 0.46 | S | S | * | . | trans | -70 | 92.4 | -174 | 26.7 | -31.5 | 0 | 0 | 0 | 111 | ||||
| 829 | V | 30.6 | Very low | 39 | Very low | 62 Ų | 62 | 83.9 Ų | 83.9 | 38% | 0.376 | 48% | 0.475 | S | S | . | . | trans | -67.4 | 132.7 | 161.9 | -166.5 | 0 | 0 | 0 | 0 | 107.8 | D691 R827 | D691-V829 HydrophobicContact CB-CG1 4.49Å; D691-V829 WeakPolarHBondContact OD2-CG1 3.28Å; R827-V829 PolarHBondContact O-N 2.77Å | ||
| 830 | C | 35.5 | Very low | 38.2 | Very low | 29 Ų | 29 | 84.1 Ų | 84.1 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | trans | -68 | 155.2 | -165.9 | -161.1 | 0 | 0 | 0 | 0 | 113.5 | K718 L832 | K718-C830 VanDerWaalsContact CE-SG 3.58Å; K718-C830 PolarHBondContact NZ-SG 3.1Å; C830-L832 VanDerWaalsContact C-N 3.27Å; C830-L832 PolarHBondContact O-N 3.23Å | ||
| 831 | F | 32.2 | Very low | 38 | Very low | 92 Ų | 92 | 87.2 Ų | 87.2 | 40% | 0.404 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -4.8 | -158.6 | -127.5 | -101.7 | 0 | 0 | 0 | 119.3 | F801 | F801-F831 AromaticContact CD2-CE2 3.88Å; F801-F831 HydrophobicContact CD2-CE2 3.88Å; F801-F831 HydrophobicContact CD2-CZ 4.25Å; F801-F831 HydrophobicContact CE2-CE2 4.22Å |
| 832 | L | 33.5 | Very low | 38.7 | Very low | 121 Ų | 121 | 85.9 Ų | 85.9 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -15.9 | -169 | -136 | 74.9 | 0 | 0 | 0 | 115.7 | V699 C830 | V699-L832 HydrophobicContact CG1-CB 4.33Å; V699-L832 HydrophobicContact CG1-CD2 3.65Å; C830-L832 VanDerWaalsContact C-N 3.27Å; C830-L832 PolarHBondContact O-N 3.23Å |
| 833 | F | 33.5 | Very low | 39.7 | Very low | 52 Ų | 52 | 85.9 Ų | 85.9 | 23% | 0.228 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -112.7 | 11 | -179.3 | -142.5 | -98.5 | 0 | 0 | 0 | 114.1 | Y694 V699 V835 L852 | Y694-F833 HydrophobicContact CE1-CD2 4.22Å; Y694-F833 AromaticContact CE1-CE2 3.74Å; Y694-F833 HydrophobicContact CE1-CE2 3.74Å; Y694-F833 HydrophobicContact CE1-CZ 4.1Å; V699-F833 HydrophobicContact CG2-CD2 4.36Å; F833-V835 VanDerWaalsContact C-N 3.26Å; F833-V835 PolarHBondContact O-N 2.97Å; F833-V835 VanDerWaalsContact O-N 3.17Å; F833-L852 HydrophobicContact CE1-CD1 4.01Å; F833-L852 HydrophobicContact CZ-CD1 3.77Å |
| 834 | F | 37.7 | Very low | 41.3 | Very low | 89 Ų | 89 | 86.9 Ų | 86.9 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.7 | -11 | -168.5 | -161.3 | -94.4 | 0 | 0 | 0 | 114.9 | K804 I836 C838 | K804-F834 VanDerWaalsContact NZ-CD2 3.28Å; F834-I836 PolarHBondContact O-N 3.14Å; F834-C838 WeakPolarHBondContact CD2-SG 3.33Å; F834-C838 HydrophobicContact CE1-CB 4.1Å; F834-C838 HydrophobicContact CE2-CB 4.15Å; F834-C838 WeakPolarHBondContact CE2-SG 3.05Å; F834-C838 HydrophobicContact CZ-CB 3.8Å; F834-C838 WeakPolarHBondContact CZ-SG 3.4Å |
| 835 | V | 35.3 | Very low | 43 | Very low | 147 Ų | 147 | 85.8 Ų | 85.8 | 89% | 0.891 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72.1 | -13.8 | -177.5 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | F833 | F833-V835 VanDerWaalsContact C-N 3.26Å; F833-V835 PolarHBondContact O-N 2.97Å; F833-V835 VanDerWaalsContact O-N 3.17Å |
| 836 | I | 34.8 | Very low | 45.2 | Very low | 97 Ų | 97 | 85.8 Ų | 85.8 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -116.5 | -35.4 | -176.4 | -61 | 177.5 | 0 | 0 | 0 | 114.2 | F834 E848 | F834-I836 PolarHBondContact O-N 3.14Å; I836-E848 WeakPolarHBondContact CG2-OE1 3.37Å |
| 837 | C | 37.5 | Very low | 47.4 | Very low | 24 Ų | 24 | 85.7 Ų | 85.7 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -90.3 | -11.9 | -162.3 | -64.5 | 0 | 0 | 0 | 0 | 117.4 | V839 L840 Q845 | C837-V839 VanDerWaalsContact C-N 3.27Å; C837-V839 PolarHBondContact O-N 3.31Å; C837-V839 VanDerWaalsContact O-N 3.14Å; C837-L840 PolarHBondContact O-N 2.88Å; C837-Q845 HydrophobicContact CB-CG 4.24Å; C837-Q845 PolarHBondContact O-NE2 3.38Å |
| 838 | C | 40.6 | Very low | 49.7 | Very low | 53 Ų | 53 | 84.4 Ų | 84.4 | 36% | 0.358 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 11.3 | -167 | -71.6 | 0 | 0 | 0 | 0 | 117.5 | F834 | F834-C838 WeakPolarHBondContact CD2-SG 3.33Å; F834-C838 HydrophobicContact CE1-CB 4.1Å; F834-C838 HydrophobicContact CE2-CB 4.15Å; F834-C838 WeakPolarHBondContact CE2-SG 3.05Å; F834-C838 HydrophobicContact CZ-CB 3.8Å; F834-C838 WeakPolarHBondContact CZ-SG 3.4Å |
| 839 | V | 42.4 | Very low | 52 | Low | 142 Ų | 142 | 79.9 Ų | 79.9 | 86% | 0.861 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -0.4 | 175.1 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | C837 | C837-V839 VanDerWaalsContact C-N 3.27Å; C837-V839 PolarHBondContact O-N 3.31Å; C837-V839 VanDerWaalsContact O-N 3.14Å |
| 840 | L | 45.2 | Very low | 54.5 | Low | 52 Ų | 52 | 79.7 Ų | 79.7 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -99 | 134.9 | -171.3 | -62.1 | 175.2 | 0 | 0 | 0 | 110.7 | C837 Q844 Q845 E848 | C837-L840 PolarHBondContact O-N 2.88Å; L840-Q844 HydrophobicContact CB-CB 3.78Å; L840-Q844 HydrophobicContact CD1-CB 4.41Å; L840-Q844 HydrophobicContact CD2-CB 4.1Å; L840-Q844 HydrophobicContact CD2-CG 4.42Å; L840-Q844 HydrophobicContact CG-CB 4.3Å; L840-Q845 HydrophobicContact CB-CG 4.04Å; L840-E848 WeakPolarHBondContact CD1-OE2 3.41Å |
| 841 | L | 54.7 | Low | 56.9 | Low | 139 Ų | 139 | 83 Ų | 83 | 73% | 0.728 | 43% | 0.426 | S | S | * | . | trans | -59.4 | 152.6 | 168.2 | -72.5 | 159.5 | 0 | 0 | 0 | 109.6 | E843 Q844 Q845 | L841-E843 PolarHBondContact O-N 2.95Å; L841-Q844 WeakPolarHBondContact O-CB 3.28Å; L841-Q844 PolarHBondContact O-N 3.46Å; L841-Q845 PolarHBondContact O-N 2.76Å | ||
| 842 | D | 65.1 | Low | 59.5 | Low | 61 Ų | 61 | 80.2 Ų | 80.2 | 33% | 0.326 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -48.2 | -39.5 | -176.6 | -73.2 | -7 | 0 | 0 | 0 | 113.5 | A683 I687 Q844 Q845 F846 | A683-D842 HydrophobicContact CB-CB 4.1Å; I687-D842 HydrophobicContact CD1-CB 3.85Å; D842-Q844 PolarHBondContact O-N 3.36Å; D842-Q845 PolarHBondContact O-N 2.76Å; D842-F846 PolarHBondContact O-N 2.87Å |
| 843 | E | 68 | Low | 62 | Low | 158 Ų | 158 | 74.4 Ų | 74.4 | 74% | 0.738 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.7 | -36.6 | 176.6 | -78 | -168.1 | 151.9 | 0 | 0 | 113.7 | L841 Q847 | L841-E843 PolarHBondContact O-N 2.95Å; E843-Q847 WeakPolarHBondContact O-CG 3.48Å; E843-Q847 PolarHBondContact O-N 3.42Å |
| 844 | Q | 71.8 | Confident | 64.2 | Low | 96 Ų | 96 | 75.1 Ų | 75.1 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.2 | -41.1 | 178.2 | -86.5 | 177.4 | -32.9 | 0 | 0 | 111.5 | L840 L841 D842 F846 Q847 E848 | L840-Q844 HydrophobicContact CB-CB 3.78Å; L840-Q844 HydrophobicContact CD1-CB 4.41Å; L840-Q844 HydrophobicContact CD2-CB 4.1Å; L840-Q844 HydrophobicContact CD2-CG 4.42Å; L840-Q844 HydrophobicContact CG-CB 4.3Å; L841-Q844 WeakPolarHBondContact O-CB 3.28Å; L841-Q844 PolarHBondContact O-N 3.46Å; D842-Q844 PolarHBondContact O-N 3.36Å; Q844-F846 VanDerWaalsContact C-N 3.3Å; Q844-F846 PolarHBondContact O-N 3.28Å; Q844-Q847 PolarHBondContact O-N 3.36Å; Q844-E848 WeakPolarHBondContact O-CB 3.18Å; Q844-E848 PolarHBondContact O-N 2.96Å |
| 845 | Q | 71.2 | Confident | 66.4 | Low | 26 Ų | 26 | 77.7 Ų | 77.7 | 12% | 0.121 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 173.9 | -75.3 | -174.2 | 1.7 | 0 | 0 | 111.3 | I687 C837 L840 L841 D842 E848 L849 | I687-Q845 HydrophobicContact CD1-CB 4.13Å; I687-Q845 HydrophobicContact CG1-CB 4.45Å; C837-Q845 HydrophobicContact CB-CG 4.24Å; C837-Q845 PolarHBondContact O-NE2 3.38Å; L840-Q845 HydrophobicContact CB-CG 4.04Å; L841-Q845 PolarHBondContact O-N 2.76Å; D842-Q845 PolarHBondContact O-N 2.76Å; Q845-E848 PolarHBondContact O-N 3.18Å; Q845-L849 WeakPolarHBondContact O-CB 3.35Å; Q845-L849 PolarHBondContact O-N 3.41Å |
| 846 | F | 76.8 | Confident | 68.4 | Low | 36 Ų | 36 | 72.2 Ų | 72.2 | 16% | 0.158 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.4 | -50.5 | 174.5 | 170.9 | -98.2 | 0 | 0 | 0 | 111.9 | K679 M686 L690 D842 Q844 E848 L849 H850 | K679-F846 HydrophobicContact CG-CZ 4.1Å; M686-F846 HydrophobicContact CG-CD2 3.83Å; M686-F846 HydrophobicContact CG-CE2 3.95Å; M686-F846 HydrophobicContact SD-CD2 3.21Å; M686-F846 WeakPolarHBondContact SD-CD2 3.3Å; M686-F846 HydrophobicContact SD-CE2 3.31Å; M686-F846 WeakPolarHBondContact SD-CE2 3.35Å; M686-F846 HydrophobicContact SD-CG 3.99Å; M686-F846 HydrophobicContact SD-CZ 4.18Å; L690-F846 HydrophobicContact CD1-CD2 3.48Å; L690-F846 VanDerWaalsContact CD1-CD2 3.48Å; L690-F846 HydrophobicContact CD1-CE2 3.59Å; D842-F846 PolarHBondContact O-N 2.87Å; Q844-F846 VanDerWaalsContact C-N 3.3Å; Q844-F846 PolarHBondContact O-N 3.28Å; F846-E848 VanDerWaalsContact C-N 3.28Å; F846-E848 PolarHBondContact O-N 2.74Å; F846-L849 PolarHBondContact O-N 3.26Å; F846-H850 WeakPolarHBondContact O-CB 3.25Å; F846-H850 PolarHBondContact O-N 2.8Å |
| 847 | Q | 79.4 | Confident | 70.4 | Confident | 131 Ų | 131 | 73.3 Ų | 73.3 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.9 | -39.3 | -179.9 | -76.3 | -171.8 | 6.9 | 0 | 0 | 112 | E843 Q844 L851 | E843-Q847 WeakPolarHBondContact O-CG 3.48Å; E843-Q847 PolarHBondContact O-N 3.42Å; Q844-Q847 PolarHBondContact O-N 3.36Å; Q847-L851 WeakPolarHBondContact O-CB 3.32Å; Q847-L851 PolarHBondContact O-N 3.21Å |
| 848 | E | 84 | Confident | 71.9 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.2 | -49.2 | 179.2 | -167.2 | 172.4 | -155 | 0 | 0 | 111.9 | I836 L840 Q844 Q845 F846 H850 L851 L852 | I836-E848 WeakPolarHBondContact CG2-OE1 3.37Å; L840-E848 WeakPolarHBondContact CD1-OE2 3.41Å; Q844-E848 WeakPolarHBondContact O-CB 3.18Å; Q844-E848 PolarHBondContact O-N 2.96Å; Q845-E848 PolarHBondContact O-N 3.18Å; F846-E848 VanDerWaalsContact C-N 3.28Å; F846-E848 PolarHBondContact O-N 2.74Å; E848-H850 VanDerWaalsContact C-N 3.34Å; E848-H850 PolarHBondContact O-N 3.31Å; E848-L851 WeakPolarHBondContact O-CB 3.34Å; E848-L851 PolarHBondContact O-N 3.05Å; E848-L851 VanDerWaalsContact O-N 3.13Å; E848-L852 HydrophobicContact CG-CD1 4.36Å; E848-L852 WeakPolarHBondContact O-CG 3.47Å; E848-L852 PolarHBondContact O-N 3.43Å |
| 849 | L | 82.5 | Confident | 73.5 | Confident | 13 Ų | 13 | 78 Ų | 78 | 7% | 0.068 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.2 | -81.9 | 166.3 | 0 | 0 | 0 | 111.9 | I687 L690 D691 Y694 Q845 F846 L851 L852 L853 | I687-L849 HydrophobicContact CG2-CD1 4.04Å; L690-L849 HydrophobicContact CB-CB 4.1Å; L690-L849 HydrophobicContact CB-CD1 4.08Å; L690-L849 HydrophobicContact CD1-CB 4.38Å; D691-L849 HydrophobicContact CB-CD1 4.24Å; D691-L849 HydrophobicContact CB-CD2 4.4Å; Y694-L849 HydrophobicContact CD1-CD2 4.42Å; Y694-L849 HydrophobicContact CG-CD2 4.42Å; Q845-L849 WeakPolarHBondContact O-CB 3.35Å; Q845-L849 PolarHBondContact O-N 3.41Å; F846-L849 PolarHBondContact O-N 3.26Å; L849-L851 VanDerWaalsContact C-N 3.29Å; L849-L851 PolarHBondContact O-N 3.19Å; L849-L852 PolarHBondContact O-N 3.45Å; L849-L853 WeakPolarHBondContact O-CB 3.36Å; L849-L853 WeakPolarHBondContact O-CG 3.39Å; L849-L853 PolarHBondContact O-N 2.99Å |
| 850 | H | 82.7 | Confident | 75.1 | Confident | 59 Ų | 59 | 79 Ų | 79 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 174.4 | -178.6 | -77.5 | 0 | 0 | 0 | 111 | F675 F846 E848 A854 | F675-H850 AromaticContact CD1-CD2 3.51Å; F675-H850 AromaticContact CD2-NE2 3.92Å; F675-H850 HydrophobicContact CE1-CB 4.38Å; F675-H850 AromaticContact CE1-CD2 3.36Å; F675-H850 WeakPolarHBondContact CE1-CD2 3.24Å; F675-H850 AromaticContact CE2-NE2 3.97Å; F675-H850 AromaticContact CG-CD2 3.92Å; F675-H850 AromaticContact CG-NE2 3.99Å; F675-H850 AromaticContact CZ-CD2 3.66Å; F846-H850 WeakPolarHBondContact O-CB 3.25Å; F846-H850 PolarHBondContact O-N 2.8Å; E848-H850 VanDerWaalsContact C-N 3.34Å; E848-H850 PolarHBondContact O-N 3.31Å; H850-A854 VanDerWaalsContact O-CB 3.24Å; H850-A854 WeakPolarHBondContact O-CB 3.21Å; H850-A854 PolarHBondContact O-N 2.91Å |
| 851 | L | 85.7 | Confident | 76.7 | Confident | 99 Ų | 99 | 78.2 Ų | 78.2 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 179.1 | -151.6 | 109.5 | 0 | 0 | 0 | 112.3 | Q847 E848 L849 K855 | Q847-L851 WeakPolarHBondContact O-CB 3.32Å; Q847-L851 PolarHBondContact O-N 3.21Å; E848-L851 WeakPolarHBondContact O-CB 3.34Å; E848-L851 PolarHBondContact O-N 3.05Å; E848-L851 VanDerWaalsContact O-N 3.13Å; L849-L851 VanDerWaalsContact C-N 3.29Å; L849-L851 PolarHBondContact O-N 3.19Å; L851-K855 VanDerWaalsContact O-CG 3.31Å; L851-K855 WeakPolarHBondContact O-CG 3.35Å; L851-K855 PolarHBondContact O-N 2.99Å |
| 852 | L | 86.7 | Confident | 78.1 | Confident | 32 Ų | 32 | 79 Ų | 79 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 175.3 | -73.3 | 171 | 0 | 0 | 0 | 111.5 | Y694 F833 E848 L849 K855 L856 | Y694-L852 HydrophobicContact CD2-CB 3.94Å; Y694-L852 HydrophobicContact CE1-CD1 4.07Å; Y694-L852 HydrophobicContact CE2-CB 3.68Å; Y694-L852 HydrophobicContact CE2-CD1 4.4Å; Y694-L852 HydrophobicContact CE2-CD2 4.4Å; Y694-L852 HydrophobicContact CE2-CG 4.38Å; F833-L852 HydrophobicContact CE1-CD1 4.01Å; F833-L852 HydrophobicContact CZ-CD1 3.77Å; E848-L852 HydrophobicContact CG-CD1 4.36Å; E848-L852 WeakPolarHBondContact O-CG 3.47Å; E848-L852 PolarHBondContact O-N 3.43Å; L849-L852 PolarHBondContact O-N 3.45Å; L852-K855 WeakPolarHBondContact O-CB 3.38Å; L852-K855 PolarHBondContact O-N 3.32Å; L852-L856 PolarHBondContact O-N 3.31Å |
| 853 | L | 85.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 175.4 | -75.1 | 167.4 | 0 | 0 | 0 | 112.1 | F667 F675 L690 V693 Y694 L849 K855 L856 | F667-L853 HydrophobicContact CE1-CD2 4.17Å; F667-L853 HydrophobicContact CE2-CB 4.23Å; F667-L853 HydrophobicContact CZ-CB 3.96Å; F667-L853 HydrophobicContact CZ-CD2 4.19Å; F675-L853 HydrophobicContact CE1-CD1 4.33Å; F675-L853 HydrophobicContact CZ-CB 3.99Å; F675-L853 HydrophobicContact CZ-CD1 4.33Å; L690-L853 HydrophobicContact CB-CD1 4.05Å; L690-L853 HydrophobicContact CD2-CD1 3.65Å; L690-L853 HydrophobicContact CG-CD1 4.37Å; V693-L853 HydrophobicContact CB-CD2 4.34Å; V693-L853 HydrophobicContact CG1-CD2 3.72Å; Y694-L853 HydrophobicContact CD2-CD2 4.34Å; L849-L853 WeakPolarHBondContact O-CB 3.36Å; L849-L853 WeakPolarHBondContact O-CG 3.39Å; L849-L853 PolarHBondContact O-N 2.99Å; L853-K855 PolarHBondContact O-N 3.01Å; L853-L856 HydrophobicContact CD2-CD1 4.08Å; L853-L856 WeakPolarHBondContact O-CB 3.5Å; L853-L856 PolarHBondContact O-N 3Å; L853-L856 VanDerWaalsContact O-N 3.11Å |
| 854 | A | 80.6 | Confident | 80.6 | Confident | 66 Ų | 66 | 76.6 Ų | 76.6 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -24.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H850 | H850-A854 VanDerWaalsContact O-CB 3.24Å; H850-A854 WeakPolarHBondContact O-CB 3.21Å; H850-A854 PolarHBondContact O-N 2.91Å |
| 855 | K | 84.5 | Confident | 81.8 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -79.6 | -25.8 | 174.7 | -74 | 170.2 | -178.5 | 175.8 | 0 | 113 | L851 L852 L853 K857 | L851-K855 VanDerWaalsContact O-CG 3.31Å; L851-K855 WeakPolarHBondContact O-CG 3.35Å; L851-K855 PolarHBondContact O-N 2.99Å; L852-K855 WeakPolarHBondContact O-CB 3.38Å; L852-K855 PolarHBondContact O-N 3.32Å; L853-K855 PolarHBondContact O-N 3.01Å; K855-K857 VanDerWaalsContact C-N 3.32Å; K855-K857 PolarHBondContact O-N 3.38Å |
| 856 | L | 76.4 | Confident | 83 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 17% | 0.168 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -71.3 | 89.4 | 172.7 | -78.3 | 160.7 | 0 | 0 | 0 | 108 | Y694 L697 L852 L853 P858 | Y694-L856 HydrophobicContact CD2-CD1 3.59Å; Y694-L856 HydrophobicContact CE2-CD1 3.87Å; L697-L856 HydrophobicContact CB-CD1 4.15Å; L852-L856 PolarHBondContact O-N 3.31Å; L853-L856 HydrophobicContact CD2-CD1 4.08Å; L853-L856 WeakPolarHBondContact O-CB 3.5Å; L853-L856 PolarHBondContact O-N 3Å; L853-L856 VanDerWaalsContact O-N 3.11Å; L856-P858 WeakPolarHBondContact O-CD 3.35Å; L856-P858 WeakPolarHBondContact O-CG 3.41Å |
| 857 | K | 75.9 | Confident | 83.9 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | trans | -49.3 | 99.3 | 176.9 | -67.4 | -174.7 | 179.9 | -174.4 | 0 | 110.3 | K855 E859 K860 | K855-K857 VanDerWaalsContact C-N 3.32Å; K855-K857 PolarHBondContact O-N 3.38Å; K857-E859 PolarHBondContact O-N 2.99Å; K857-K860 HydrophobicContact CB-CB 4.41Å; K857-K860 HydrophobicContact CB-CD 4.45Å; K857-K860 HydrophobicContact CB-CG 4.26Å; K857-K860 HydrophobicContact CD-CD 4.27Å; K857-K860 PolarHBondContact O-N 3.21Å | ||
| 858 | P | 70.8 | Confident | 84.6 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -61.3 | -37.8 | -167.1 | -23.7 | 34.8 | 0 | 0 | 0 | 111.3 | F667 L668 P671 L856 K860 S861 | F667-P858 HydrophobicContact CE1-CG 4.4Å; F667-P858 HydrophobicContact CZ-CG 4.38Å; L668-P858 HydrophobicContact CD2-CB 3.99Å; P671-P858 HydrophobicContact CG-CB 4.2Å; P671-P858 HydrophobicContact CG-CG 3.81Å; L856-P858 WeakPolarHBondContact O-CD 3.35Å; L856-P858 WeakPolarHBondContact O-CG 3.41Å; P858-K860 PolarHBondContact O-N 2.95Å; P858-S861 PolarHBondContact O-N 3.42Å |
| 859 | E | 72.3 | Confident | 85 | Confident | 153 Ų | 153 | 75.9 Ų | 75.9 | 72% | 0.715 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -59.5 | -14 | 176.2 | 57.8 | -84.3 | 174.3 | 0 | 0 | 115.5 | K857 | K857-E859 PolarHBondContact O-N 2.99Š|
| 860 | K | 76 | Confident | 85.4 | Confident | 163 Ų | 163 | 78.5 Ų | 78.5 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -102.5 | -10.5 | 176.5 | -63.7 | -165.1 | 176.7 | -163.8 | 0 | 113.6 | K857 P858 | K857-K860 HydrophobicContact CB-CB 4.41Å; K857-K860 HydrophobicContact CB-CD 4.45Å; K857-K860 HydrophobicContact CB-CG 4.26Å; K857-K860 HydrophobicContact CD-CD 4.27Å; K857-K860 PolarHBondContact O-N 3.21Å; P858-K860 PolarHBondContact O-N 2.95Å |
| 861 | S | 79.3 | Confident | 85.7 | Confident | 35 Ų | 35 | 77.7 Ų | 77.7 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -86.9 | 132.8 | -177.9 | -67.3 | 0 | 0 | 0 | 0 | 110.1 | P858 | P858-S861 PolarHBondContact O-N 3.42Š|
| 862 | K | 84.3 | Confident | 85.6 | Confident | 154 Ų | 154 | 73.7 Ų | 73.7 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 136.4 | 174 | -69.5 | -174.1 | 178.9 | -179.1 | 0 | 109.7 | ||
| 863 | R | 90.9 | Very high | 85.5 | Confident | 166 Ų | 166 | 75.1 Ų | 75.1 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 142.7 | 167.7 | -159.7 | -179.1 | -170.7 | -170.7 | 6 | 109.6 | N665 | N665-R863 HydrophobicContact CB-CG 4.41Å; N665-R863 WeakPolarHBondContact OD1-CG 3.28Å |
| 864 | L | 94.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 161.6 | 174.5 | -58 | 175.7 | 0 | 0 | 0 | 109.8 | A661 A664 N665 V696 L697 Y778 P866 | A661-L864 HydrophobicContact CB-CB 3.94Å; A661-L864 HydrophobicContact CB-CD1 4.4Å; A664-L864 HydrophobicContact CB-CD1 3.83Å; N665-L864 PolarHBondContact ND2-O 2.59Å; N665-L864 PolarHBondContact OD1-N 3.5Å; V696-L864 HydrophobicContact CG1-CD1 3.28Å; L697-L864 HydrophobicContact CD2-CD1 4.47Å; Y778-L864 HydrophobicContact CD1-CD2 3.3Å; Y778-L864 HydrophobicContact CE1-CD1 4.48Å; Y778-L864 HydrophobicContact CE1-CD2 3.51Å; Y778-L864 HydrophobicContact CG-CD2 4.11Å; L864-P866 WeakPolarHBondContact O-CD 3.31Å |
| 865 | F | 96.4 | Very high | 85.8 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | trans | -108.7 | 95.8 | 177.1 | -58.2 | -84.3 | 0 | 0 | 0 | 108.3 | M777 I867 | M777-F865 WeakPolarHBondContact CA-O 3.22Å; M777-F865 PolarHBondContact O-N 3.01Å; F865-I867 PolarHBondContact O-N 2.97Å | ||
| 866 | P | 96.5 | Very high | 86.2 | Confident | 43 Ų | 43 | 74 Ų | 74 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | trans | -55.8 | 138.2 | 171.8 | -19.1 | 31.4 | 0 | 0 | 0 | 109.8 | A661 E662 L864 | A661-P866 HydrophobicContact CB-CB 4.06Å; A661-P866 HydrophobicContact CB-CG 3.88Å; E662-P866 HydrophobicContact CG-CB 3.76Å; E662-P866 HydrophobicContact CG-CG 3.69Å; L864-P866 WeakPolarHBondContact O-CD 3.31Å | ||
| 867 | I | 97.2 | Very high | 87.2 | Confident | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | trans | -97.7 | 108.1 | 179.4 | -56.8 | -174.6 | 0 | 0 | 0 | 108.7 | F653 F657 T658 L773 I776 M777 F865 H878 | F653-I867 HydrophobicContact CE1-CG2 4.4Å; F653-I867 HydrophobicContact CZ-CB 4.42Å; F653-I867 HydrophobicContact CZ-CG2 3.73Å; F657-I867 HydrophobicContact CB-CB 4.12Å; F657-I867 HydrophobicContact CB-CD1 4.17Å; F657-I867 HydrophobicContact CB-CG1 4.3Å; F657-I867 PolarHBondContact O-N 2.7Å; T658-I867 PolarHBondContact OG1-O 2.79Å; L773-I867 HydrophobicContact CB-CD1 3.96Å; L773-I867 HydrophobicContact CD2-CD1 3.92Å; L773-I867 HydrophobicContact CD2-CG2 4.49Å; L773-I867 VanDerWaalsContact O-CD1 3.26Å; L773-I867 WeakPolarHBondContact O-CD1 3.48Å; I776-I867 HydrophobicContact CB-CD1 4.15Å; I776-I867 HydrophobicContact CG2-CD1 4.16Å; I776-I867 HydrophobicContact CG2-CG1 4.49Å; M777-I867 HydrophobicContact CB-CD1 4.35Å; F865-I867 PolarHBondContact O-N 2.97Å; I867-H878 WeakPolarHBondContact CG2-NE2 2.93Å | ||
| 868 | D | 92.9 | Very high | 88.2 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | trans | -73.9 | 134.8 | 170.4 | -65.3 | -33.2 | 0 | 0 | 0 | 109.4 | E870 H878 | D868-E870 PolarHBondContact O-N 3.29Å; D868-E870 VanDerWaalsContact O-N 3.13Å; D868-H878 PolarHBondContact O-CE1 2.7Å | ||
| 869 | F | 93.7 | Very high | 89.3 | Confident | 40 Ų | 40 | 70 Ų | 70 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | trans | -75.1 | 111.3 | -177.2 | 178.5 | -111.7 | 0 | 0 | 0 | 112.2 | R650 F653 K871 H878 M879 V882 A907 | R650-F869 VanDerWaalsContact NH2-CD1 3.32Å; R650-F869 VanDerWaalsContact NH2-CG 3.29Å; F653-F869 HydrophobicContact CD1-CB 4.42Å; F653-F869 HydrophobicContact CD1-CD2 4.27Å; F653-F869 HydrophobicContact CE1-CB 3.87Å; F653-F869 HydrophobicContact CE1-CD2 4.02Å; F653-F869 HydrophobicContact CE1-CG 4.45Å; F653-F869 HydrophobicContact CE2-CD2 4.44Å; F653-F869 HydrophobicContact CZ-CB 4.47Å; F653-F869 HydrophobicContact CZ-CD2 4.09Å; F869-K871 HydrophobicContact CE1-CB 3.82Å; F869-K871 HydrophobicContact CZ-CB 4.12Å; F869-H878 HydrophobicContact CD2-CB 3.82Å; F869-H878 HydrophobicContact CE2-CB 3.92Å; F869-M879 HydrophobicContact CE2-SD 4.13Å; F869-M879 HydrophobicContact CZ-SD 3.62Å; F869-V882 HydrophobicContact CE2-CG2 3.93Å; F869-A907 HydrophobicContact CZ-CB 4.34Å | ||
| 870 | E | 90.2 | Very high | 90.4 | Very high | 68 Ų | 68 | 64.7 Ų | 64.7 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | trans | -103.6 | 121.8 | 166.2 | -178.2 | 52.5 | -99.3 | 0 | 0 | 111 | D868 D872 D873 N876 H878 | D868-E870 PolarHBondContact O-N 3.29Å; D868-E870 VanDerWaalsContact O-N 3.13Å; E870-D872 PolarHBondContact OE1-N 2.92Å; E870-D873 HydrophobicContact CG-CB 3.82Å; E870-N876 PolarHBondContact O-ND2 3.41Å; E870-H878 PolarHBondContact N-ND1 3.31Å; E870-H878 WeakPolarHBondContact O-CB 3.16Å; E870-H878 PolarHBondContact O-ND1 2.9Å | ||
| 871 | K | 89.4 | Confident | 91.5 | Very high | 42 Ų | 42 | 57 Ų | 57 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -92.2 | -25.2 | -178.1 | 71 | -158 | 169.6 | -47 | 0 | 112.6 | F869 M879 K904 I910 | F869-K871 HydrophobicContact CE1-CB 3.82Å; F869-K871 HydrophobicContact CZ-CB 4.12Å; K871-M879 HydrophobicContact CB-SD 4.18Å; K871-K904 WeakPolarHBondContact O-CE 3.28Å; K871-K904 PolarHBondContact O-NZ 3.05Å; K871-I910 HydrophobicContact CD-CG1 4.28Å |
| 872 | D | 82.4 | Confident | 92.4 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -96 | -1.9 | -169.4 | -70.8 | -53.4 | 0 | 0 | 0 | 113.2 | Q32 R36 E870 K904 | Q32-D872 PolarHBondContact NE2-O 3.41Å; Q32-D872 VanDerWaalsContact NE2-O 3.1Å; R36-D872 IonicContact CZ-OD2 2.75Å; R36-D872 IonicContact NH1-OD1 3.28Å; R36-D872 PolarHBondContact NH1-OD1 3.19Å; R36-D872 IonicContact NH1-OD2 3.9Å; R36-D872 IonicContact NH2-OD1 2.72Å; R36-D872 IonicContact NH2-OD2 3.38Å; R36-D872 PolarHBondContact NH2-OD2 3.44Å; E870-D872 PolarHBondContact OE1-N 2.92Å; D872-K904 WeakPolarHBondContact OD1-CE 3.46Å; D872-K904 IonicContact OD1-NZ 2.7Å |
| 873 | D | 85.1 | Confident | 93 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 34% | 0.337 | 24% | 0.237 | S | C | . | . | trans | -107.2 | 110 | 169.8 | 173 | 16.2 | 0 | 0 | 0 | 111.1 | E870 S875 N876 | E870-D873 HydrophobicContact CG-CB 3.82Å; D873-S875 VanDerWaalsContact C-N 3.27Å; D873-S875 PolarHBondContact O-N 3.03Å; D873-S875 WeakPolarHBondContact OD1-CA 3.37Å; D873-S875 VanDerWaalsContact OD1-CB 3.31Å; D873-S875 WeakPolarHBondContact OD1-CB 3.42Å; D873-S875 PolarHBondContact OD1-N 3.4Å; D873-S875 PolarHBondContact OD1-OG 3.06Å; D873-S875 PolarHBondContact OD2-OG 3.41Å; D873-N876 WeakPolarHBondContact CB-ND2 3.42Å; D873-N876 PolarHBondContact O-ND2 2.96Å; D873-N876 VanDerWaalsContact O-ND2 3.1Å; D873-N876 PolarHBondContact O-OD1 3.17Å; D873-N876 PolarHBondContact OD2-ND2 2.88Å | ||
| 874 | D | 84.4 | Confident | 93.4 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -79.3 | -10.5 | -178.6 | -61.4 | -22.1 | 0 | 0 | 0 | 112.5 | K904 | D874-K904 IonicContact OD1-NZ 3.34Å; D874-K904 PolarHBondContact OD1-NZ 2.85Å |
| 875 | S | 88.8 | Confident | 93.5 | Very high | 79 Ų | 79 | 40.4 Ų | 40.4 | 55% | 0.552 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -84.6 | -16 | -177.6 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | D873 Y877 | D873-S875 VanDerWaalsContact C-N 3.27Å; D873-S875 PolarHBondContact O-N 3.03Å; D873-S875 WeakPolarHBondContact OD1-CA 3.37Å; D873-S875 VanDerWaalsContact OD1-CB 3.31Å; D873-S875 WeakPolarHBondContact OD1-CB 3.42Å; D873-S875 PolarHBondContact OD1-N 3.4Å; D873-S875 PolarHBondContact OD1-OG 3.06Å; D873-S875 PolarHBondContact OD2-OG 3.41Å; S875-Y877 WeakPolarHBondContact O-CD2 3.2Å; S875-Y877 VanDerWaalsContact O-CE2 3.28Å; S875-Y877 WeakPolarHBondContact O-CE2 3.24Å |
| 876 | N | 93.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 34.8 Ų | 34.8 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -85.1 | -5.6 | -179.1 | 66.9 | 25.4 | 0 | 0 | 0 | 114 | L773 E870 D873 H878 | L773-N876 WeakPolarHBondContact CD2-O 3.44Å; E870-N876 PolarHBondContact O-ND2 3.41Å; D873-N876 WeakPolarHBondContact CB-ND2 3.42Å; D873-N876 PolarHBondContact O-ND2 2.96Å; D873-N876 VanDerWaalsContact O-ND2 3.1Å; D873-N876 PolarHBondContact O-OD1 3.17Å; D873-N876 PolarHBondContact OD2-ND2 2.88Å; N876-H878 PolarHBondContact ND2-CE1 2.71Å; N876-H878 PolarHBondContact ND2-ND1 3.09Å; N876-H878 VanDerWaalsContact ND2-ND1 3.17Å; N876-H878 PolarHBondContact O-CD2 2.88Å; N876-H878 VanDerWaalsContact O-CD2 3.31Å; N876-H878 PolarHBondContact O-N 3.43Å; N876-H878 VanDerWaalsContact O-N 3.15Å; N876-H878 VanDerWaalsContact OD1-CB 3.25Å; N876-H878 WeakPolarHBondContact OD1-CB 3.34Å; N876-H878 PolarHBondContact OD1-CD2 3.4Å; N876-H878 PolarHBondContact OD1-N 3.43Å |
| 877 | Y | 95.4 | Very high | 93.7 | Very high | 75 Ų | 75 | 33 Ų | 33 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | trans | 59.8 | 14.8 | -178.2 | -53.7 | -80.5 | 0 | 0 | 0 | 116 | F768 Y772 S875 E880 F881 | F768-Y877 HydrophobicContact CD1-CD1 4.45Å; F768-Y877 HydrophobicContact CD1-CE1 4.43Å; F768-Y877 HydrophobicContact CE1-CD1 4.01Å; F768-Y877 AromaticContact CE1-CE1 3.65Å; F768-Y877 HydrophobicContact CE1-CE1 3.65Å; F768-Y877 HydrophobicContact CE1-CE2 4.24Å; F768-Y877 HydrophobicContact CE1-CG 4.44Å; F768-Y877 AromaticContact CE1-CZ 3.78Å; Y772-Y877 AromaticContact CD1-CD2 3.6Å; Y772-Y877 HydrophobicContact CD1-CD2 3.6Å; Y772-Y877 HydrophobicContact CD1-CE2 4.23Å; Y772-Y877 HydrophobicContact CD1-CG 4.49Å; Y772-Y877 HydrophobicContact CD2-CD2 4.05Å; Y772-Y877 AromaticContact CD2-CE2 3.95Å; Y772-Y877 HydrophobicContact CD2-CE2 3.95Å; Y772-Y877 AromaticContact CE1-CD2 3.64Å; Y772-Y877 HydrophobicContact CE1-CD2 3.64Å; Y772-Y877 AromaticContact CE1-CE2 4Å; Y772-Y877 HydrophobicContact CE1-CE2 4Å; Y772-Y877 HydrophobicContact CE2-CD2 4.07Å; Y772-Y877 AromaticContact CE2-CE2 3.69Å; Y772-Y877 HydrophobicContact CE2-CE2 3.69Å; Y772-Y877 AromaticContact CG-CD2 3.83Å; Y772-Y877 HydrophobicContact CG-CD2 3.83Å; Y772-Y877 HydrophobicContact CG-CE2 4.22Å; Y772-Y877 AromaticContact CZ-CD2 3.88Å; Y772-Y877 AromaticContact CZ-CE2 3.72Å; S875-Y877 WeakPolarHBondContact O-CD2 3.2Å; S875-Y877 VanDerWaalsContact O-CE2 3.28Å; S875-Y877 WeakPolarHBondContact O-CE2 3.24Å; Y877-E880 HydrophobicContact CD1-CB 4.44Å; Y877-E880 PolarHBondContact O-N 2.87Å; Y877-F881 PolarHBondContact O-N 3.4Å | ||
| 878 | H | 96.9 | Very high | 93.8 | Very high | 14 Ų | 14 | 32.5 Ų | 32.5 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -51.3 | 176.2 | -63.4 | 172.6 | 0 | 0 | 0 | 111 | F653 I867 D868 F869 E870 N876 E880 F881 V882 | F653-H878 HydrophobicContact CE2-CB 3.97Å; F653-H878 AromaticContact CE2-CD2 3.82Å; F653-H878 AromaticContact CE2-CG 3.89Å; F653-H878 HydrophobicContact CZ-CB 4.23Å; F653-H878 AromaticContact CZ-CD2 3.77Å; F653-H878 AromaticContact CZ-CG 3.78Å; I867-H878 WeakPolarHBondContact CG2-NE2 2.93Å; D868-H878 PolarHBondContact O-CE1 2.7Å; F869-H878 HydrophobicContact CD2-CB 3.82Å; F869-H878 HydrophobicContact CE2-CB 3.92Å; E870-H878 PolarHBondContact N-ND1 3.31Å; E870-H878 WeakPolarHBondContact O-CB 3.16Å; E870-H878 PolarHBondContact O-ND1 2.9Å; N876-H878 PolarHBondContact ND2-CE1 2.71Å; N876-H878 PolarHBondContact ND2-ND1 3.09Å; N876-H878 VanDerWaalsContact ND2-ND1 3.17Å; N876-H878 PolarHBondContact O-CD2 2.88Å; N876-H878 VanDerWaalsContact O-CD2 3.31Å; N876-H878 PolarHBondContact O-N 3.43Å; N876-H878 VanDerWaalsContact O-N 3.15Å; N876-H878 VanDerWaalsContact OD1-CB 3.25Å; N876-H878 WeakPolarHBondContact OD1-CB 3.34Å; N876-H878 PolarHBondContact OD1-CD2 3.4Å; N876-H878 PolarHBondContact OD1-N 3.43Å; H878-E880 VanDerWaalsContact C-N 3.33Å; H878-E880 PolarHBondContact O-N 3Å; H878-F881 PolarHBondContact O-N 3.07Å; H878-V882 WeakPolarHBondContact O-CG2 3.35Å; H878-V882 PolarHBondContact O-N 3.28Å |
| 879 | M | 95 | Very high | 94 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.02 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.4 | -32.1 | 179.7 | -75.9 | -56.5 | -39.6 | 0 | 0 | 112.4 | F869 K871 V882 T883 L900 T903 K904 A907 | F869-M879 HydrophobicContact CE2-SD 4.13Å; F869-M879 HydrophobicContact CZ-SD 3.62Å; K871-M879 HydrophobicContact CB-SD 4.18Å; M879-V882 PolarHBondContact O-N 3.09Å; M879-T883 VanDerWaalsContact O-CB 3.23Å; M879-T883 WeakPolarHBondContact O-CB 3.35Å; M879-T883 PolarHBondContact O-N 3.42Å; M879-T883 PolarHBondContact O-OG1 3.12Å; M879-L900 HydrophobicContact CB-CD1 3.74Å; M879-L900 HydrophobicContact CE-CD1 4.4Å; M879-T903 HydrophobicContact CE-CG2 3.77Å; M879-K904 HydrophobicContact CE-CB 3.74Å; M879-K904 HydrophobicContact CE-CG 4.46Å; M879-K904 VanDerWaalsContact CE-N 3.33Å; M879-K904 HydrophobicContact CG-CD 4.42Å; M879-K904 HydrophobicContact SD-CB 4.22Å; M879-K904 HydrophobicContact SD-CG 4.31Å; M879-A907 HydrophobicContact CE-CB 4.4Å |
| 880 | E | 96.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 25.3 Ų | 25.3 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 173.5 | -170.3 | 71.5 | -173 | 0 | 0 | 110.7 | R765 A769 Y877 H878 T884 | R765-E880 WeakPolarHBondContact CB-OE1 3.37Å; R765-E880 WeakPolarHBondContact CD-OE1 3.38Å; R765-E880 WeakPolarHBondContact CG-OE1 3.3Å; R765-E880 IonicContact CZ-OE1 3.63Å; R765-E880 IonicContact NE-OE1 3.51Å; R765-E880 IonicContact NH1-OE1 2.71Å; R765-E880 PolarHBondContact NH1-OE1 2.98Å; R765-E880 IonicContact NH1-OE2 2.91Å; A769-E880 HydrophobicContact CB-CB 4.37Å; A769-E880 HydrophobicContact CB-CG 4.29Å; Y877-E880 HydrophobicContact CD1-CB 4.44Å; Y877-E880 PolarHBondContact O-N 2.87Å; H878-E880 VanDerWaalsContact C-N 3.33Å; H878-E880 PolarHBondContact O-N 3Å; E880-T884 HydrophobicContact CG-CG2 4.46Å; E880-T884 WeakPolarHBondContact O-CB 3.46Å; E880-T884 VanDerWaalsContact O-CG2 3.29Å; E880-T884 WeakPolarHBondContact O-CG2 3.36Å; E880-T884 PolarHBondContact O-N 3.12Å; E880-T884 PolarHBondContact O-OG1 3.02Å |
| 881 | F | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.5 | -51.2 | 175 | 176.7 | -89.2 | 0 | 0 | 0 | 111.5 | L652 F653 F657 F766 A769 A770 L773 Y877 H878 T883 T884 A885 | L652-F881 HydrophobicContact CD2-CE1 4.31Å; L652-F881 HydrophobicContact CD2-CZ 3.88Å; L652-F881 HydrophobicContact CG-CE1 4.49Å; L652-F881 HydrophobicContact CG-CZ 4.19Å; F653-F881 HydrophobicContact CB-CD1 3.88Å; F653-F881 HydrophobicContact CB-CE1 3.74Å; F653-F881 AromaticContact CD2-CD1 3.69Å; F653-F881 HydrophobicContact CD2-CD1 3.69Å; F653-F881 HydrophobicContact CD2-CE1 4.26Å; F653-F881 HydrophobicContact CD2-CG 4.29Å; F653-F881 HydrophobicContact CG-CD1 4.29Å; F653-F881 HydrophobicContact CG-CE1 4.5Å; F657-F881 HydrophobicContact CE2-CD1 4.11Å; F657-F881 AromaticContact CE2-CD2 3.86Å; F657-F881 HydrophobicContact CE2-CD2 3.86Å; F657-F881 AromaticContact CE2-CE1 3.89Å; F657-F881 HydrophobicContact CE2-CE1 3.89Å; F657-F881 AromaticContact CE2-CE2 3.61Å; F657-F881 HydrophobicContact CE2-CE2 3.61Å; F657-F881 HydrophobicContact CE2-CG 4.09Å; F657-F881 AromaticContact CE2-CZ 3.62Å; F657-F881 HydrophobicContact CE2-CZ 3.62Å; F657-F881 HydrophobicContact CZ-CD2 4.05Å; F657-F881 AromaticContact CZ-CE2 3.69Å; F657-F881 HydrophobicContact CZ-CE2 3.69Å; F657-F881 HydrophobicContact CZ-CZ 4.06Å; F766-F881 HydrophobicContact CD2-CE2 4.41Å; F766-F881 HydrophobicContact CE2-CD2 4.3Å; F766-F881 AromaticContact CE2-CE2 3.73Å; F766-F881 HydrophobicContact CE2-CE2 3.73Å; F766-F881 HydrophobicContact CE2-CZ 4.17Å; F766-F881 HydrophobicContact CZ-CE2 4.04Å; A769-F881 HydrophobicContact CB-CB 3.95Å; A770-F881 HydrophobicContact CB-CD2 4Å; A770-F881 HydrophobicContact CB-CE2 3.88Å; L773-F881 HydrophobicContact CD1-CB 3.74Å; L773-F881 HydrophobicContact CD1-CD2 4.23Å; L773-F881 HydrophobicContact CD1-CG 4Å; Y877-F881 PolarHBondContact O-N 3.4Å; H878-F881 PolarHBondContact O-N 3.07Å; F881-T883 PolarHBondContact O-N 2.84Å; F881-T884 PolarHBondContact O-OG1 3.17Å; F881-A885 HydrophobicContact CE1-CB 4.42Å; F881-A885 WeakPolarHBondContact O-CB 3.5Å; F881-A885 PolarHBondContact O-N 3.13Å |
| 882 | V | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | -177.1 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | I646 A649 F653 F869 H878 M879 S886 T903 A907 | I646-V882 HydrophobicContact CG2-CG1 4.45Å; A649-V882 HydrophobicContact CB-CG1 3.95Å; A649-V882 WeakPolarHBondContact CB-O 3.32Å; F653-V882 HydrophobicContact CB-CG2 4.22Å; F653-V882 HydrophobicContact CD2-CG2 4.43Å; F869-V882 HydrophobicContact CE2-CG2 3.93Å; H878-V882 WeakPolarHBondContact O-CG2 3.35Å; H878-V882 PolarHBondContact O-N 3.28Å; M879-V882 PolarHBondContact O-N 3.09Å; V882-S886 VanDerWaalsContact O-CB 3.24Å; V882-S886 WeakPolarHBondContact O-CB 3.43Å; V882-S886 PolarHBondContact O-N 2.98Å; V882-T903 HydrophobicContact CG1-CG2 3.92Å; V882-A907 HydrophobicContact CG1-CB 3.81Å |
| 883 | T | 97.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 6% | 0.055 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -52.2 | 179.5 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | M879 F881 A885 S886 N887 L900 T903 | M879-T883 VanDerWaalsContact O-CB 3.23Å; M879-T883 WeakPolarHBondContact O-CB 3.35Å; M879-T883 PolarHBondContact O-N 3.42Å; M879-T883 PolarHBondContact O-OG1 3.12Å; F881-T883 PolarHBondContact O-N 2.84Å; T883-A885 PolarHBondContact O-N 3.31Å; T883-S886 PolarHBondContact O-N 2.91Å; T883-N887 WeakPolarHBondContact O-CB 3.31Å; T883-N887 PolarHBondContact O-N 3.18Å; T883-L900 WeakPolarHBondContact OG1-CD1 3.18Å; T883-T903 WeakPolarHBondContact OG1-CG2 3.46Å |
| 884 | T | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | -178.5 | 56.1 | 0 | 0 | 0 | 0 | 112 | E762 R765 F766 E880 F881 S886 N887 L888 | E762-T884 HydrophobicContact CG-CG2 4.43Å; E762-T884 WeakPolarHBondContact OE1-CA 3.35Å; E762-T884 WeakPolarHBondContact OE1-CG2 3.21Å; R765-T884 HydrophobicContact CB-CG2 3.69Å; F766-T884 WeakPolarHBondContact CA-OG1 3.49Å; E880-T884 HydrophobicContact CG-CG2 4.46Å; E880-T884 WeakPolarHBondContact O-CB 3.46Å; E880-T884 VanDerWaalsContact O-CG2 3.29Å; E880-T884 WeakPolarHBondContact O-CG2 3.36Å; E880-T884 PolarHBondContact O-N 3.12Å; E880-T884 PolarHBondContact O-OG1 3.02Å; F881-T884 PolarHBondContact O-OG1 3.17Å; T884-S886 VanDerWaalsContact C-N 3.35Å; T884-S886 PolarHBondContact O-N 2.92Å; T884-N887 PolarHBondContact O-N 3.38Å; T884-L888 WeakPolarHBondContact O-CB 3.35Å; T884-L888 WeakPolarHBondContact O-CD1 3.42Å; T884-L888 WeakPolarHBondContact O-CG 3.28Å; T884-L888 PolarHBondContact O-N 2.97Å |
| 885 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | W648 A649 L652 F720 F766 F881 T883 R889 | W648-A885 HydrophobicContact CZ3-CB 4.32Å; A649-A885 HydrophobicContact CB-CB 3.82Å; L652-A885 HydrophobicContact CD2-CB 4.17Å; F720-A885 WeakPolarHBondContact CE1-O 3.39Å; F720-A885 HydrophobicContact CZ-CB 4.46Å; F766-A885 HydrophobicContact CD2-CB 3.97Å; F766-A885 HydrophobicContact CE2-CB 3.75Å; F881-A885 HydrophobicContact CE1-CB 4.42Å; F881-A885 WeakPolarHBondContact O-CB 3.5Å; F881-A885 PolarHBondContact O-N 3.13Å; T883-A885 PolarHBondContact O-N 3.31Å; A885-R889 PolarHBondContact O-N 2.92Å; A885-R889 VanDerWaalsContact O-N 3.16Å |
| 886 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | T645 I646 V882 T883 T884 L888 R889 A890 | T645-S886 PolarHBondContact OG1-OG 2.83Å; I646-S886 WeakPolarHBondContact CG1-OG 3.29Å; I646-S886 PolarHBondContact N-OG 3.19Å; V882-S886 VanDerWaalsContact O-CB 3.24Å; V882-S886 WeakPolarHBondContact O-CB 3.43Å; V882-S886 PolarHBondContact O-N 2.98Å; T883-S886 PolarHBondContact O-N 2.91Å; T884-S886 VanDerWaalsContact C-N 3.35Å; T884-S886 PolarHBondContact O-N 2.92Å; S886-L888 PolarHBondContact O-N 3.22Å; S886-R889 CarbonylContact O-C 3.55Å; S886-R889 PolarHBondContact O-N 2.85Å; S886-A890 WeakPolarHBondContact O-CB 3.3Å; S886-A890 PolarHBondContact O-N 3.42Å |
| 887 | N | 98.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.1 | -36 | -176.8 | -76.7 | -17.2 | 0 | 0 | 0 | 113.1 | E762 T883 T884 A890 E891 K897 A898 | E762-N887 HydrophobicContact CG-CB 4.29Å; E762-N887 WeakPolarHBondContact OE1-CB 3.28Å; E762-N887 PolarHBondContact OE1-ND2 3.44Å; E762-N887 VanDerWaalsContact OE1-ND2 3.09Å; T883-N887 WeakPolarHBondContact O-CB 3.31Å; T883-N887 PolarHBondContact O-N 3.18Å; T884-N887 PolarHBondContact O-N 3.38Å; N887-A890 PolarHBondContact O-N 3.45Å; N887-E891 PolarHBondContact O-N 2.81Å; N887-K897 HydrophobicContact CB-CB 4.43Å; N887-K897 HydrophobicContact CB-CD 4.13Å; N887-K897 HydrophobicContact CB-CG 4.12Å; N887-K897 WeakPolarHBondContact O-CE 3.21Å; N887-K897 WeakPolarHBondContact OD1-CB 3.43Å; N887-A898 PolarHBondContact ND2-O 3.3Å; N887-A898 PolarHBondContact OD1-N 3.05Å; N887-A898 PolarHBondContact OD1-O 3.47Å |
| 888 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 172.8 | -70.9 | 168.5 | 0 | 0 | 0 | 111.3 | W716 F720 L754 E762 H763 F766 T884 S886 A890 E891 N892 | W716-L888 HydrophobicContact CZ2-CD2 4.49Å; F720-L888 HydrophobicContact CD1-CB 3.66Å; F720-L888 HydrophobicContact CD2-CB 4.28Å; F720-L888 HydrophobicContact CD2-CD1 3.99Å; F720-L888 HydrophobicContact CE1-CB 3.45Å; F720-L888 VanDerWaalsContact CE1-CB 3.45Å; F720-L888 HydrophobicContact CE1-CD1 4.35Å; F720-L888 HydrophobicContact CE2-CB 4.11Å; F720-L888 HydrophobicContact CE2-CD1 3.5Å; F720-L888 HydrophobicContact CE2-CG 4.44Å; F720-L888 HydrophobicContact CG-CB 4.08Å; F720-L888 HydrophobicContact CZ-CB 3.71Å; F720-L888 HydrophobicContact CZ-CD1 3.72Å; F720-L888 HydrophobicContact CZ-CG 4.37Å; L754-L888 HydrophobicContact CD1-CD2 4.26Å; L754-L888 WeakPolarHBondContact CD1-O 3.28Å; E762-L888 HydrophobicContact CG-CD2 4.42Å; E762-L888 HydrophobicContact CG-CG 4.4Å; H763-L888 WeakPolarHBondContact CD2-CD2 3.34Å; F766-L888 HydrophobicContact CB-CD1 3.67Å; F766-L888 HydrophobicContact CD2-CD1 3.94Å; F766-L888 HydrophobicContact CG-CD1 3.81Å; T884-L888 WeakPolarHBondContact O-CB 3.35Å; T884-L888 WeakPolarHBondContact O-CD1 3.42Å; T884-L888 WeakPolarHBondContact O-CG 3.28Å; T884-L888 PolarHBondContact O-N 2.97Å; S886-L888 PolarHBondContact O-N 3.22Å; L888-A890 VanDerWaalsContact C-N 3.34Å; L888-E891 WeakPolarHBondContact O-CB 3.45Å; L888-E891 PolarHBondContact O-N 3.11Å; L888-N892 PolarHBondContact O-N 3.46Å |
| 889 | R | 98.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 3% | 0.034 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.6 | -35 | 174.3 | -172.4 | 172.8 | -178.6 | 101.9 | -5.6 | 111.9 | L635 K636 T645 W648 F720 A885 S886 E891 N892 Y893 | L635-R889 PolarHBondContact O-NH2 3.5Å; K636-R889 PolarHBondContact O-NH2 3.1Å; T645-R889 HydrophobicContact CG2-CB 4.16Å; T645-R889 HydrophobicContact CG2-CG 3.85Å; W648-R889 VanDerWaalsContact CD1-CZ 3.46Å; W648-R889 HydrophobicContact CE3-CB 4.13Å; W648-R889 HydrophobicContact CE3-CG 4.29Å; W648-R889 HydrophobicContact CZ3-CB 3.91Å; W648-R889 HydrophobicContact CZ3-CG 4.37Å; F720-R889 HydrophobicContact CE1-CB 4.27Å; A885-R889 PolarHBondContact O-N 2.92Å; A885-R889 VanDerWaalsContact O-N 3.16Å; S886-R889 CarbonylContact O-C 3.55Å; S886-R889 PolarHBondContact O-N 2.85Å; R889-E891 VanDerWaalsContact C-N 3.28Å; R889-E891 PolarHBondContact O-N 2.87Å; R889-N892 WeakPolarHBondContact O-CB 3.38Å; R889-N892 PolarHBondContact O-N 3.3Å; R889-Y893 HydrophobicContact CG-CD2 4.3Å; R889-Y893 HydrophobicContact CG-CE2 4.27Å; R889-Y893 WeakPolarHBondContact O-CD2 3.26Å; R889-Y893 PolarHBondContact O-N 2.66Å |
| 890 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I642 T645 S886 N887 L888 N892 Y893 D894 I895 K897 | I642-A890 HydrophobicContact CD1-CB 3.94Å; T645-A890 HydrophobicContact CG2-CB 4.48Å; S886-A890 WeakPolarHBondContact O-CB 3.3Å; S886-A890 PolarHBondContact O-N 3.42Å; N887-A890 PolarHBondContact O-N 3.45Å; L888-A890 VanDerWaalsContact C-N 3.34Å; A890-N892 PolarHBondContact O-N 2.98Å; A890-Y893 CarbonylContact O-C 3.51Å; A890-Y893 PolarHBondContact O-N 2.89Å; A890-Y893 VanDerWaalsContact O-N 3.15Å; A890-D894 PolarHBondContact O-N 2.61Å; A890-I895 HydrophobicContact CB-CB 3.92Å; A890-I895 HydrophobicContact CB-CG2 4.24Å; A890-I895 PolarHBondContact O-N 2.86Å; A890-K897 HydrophobicContact CB-CG 4.43Å |
| 891 | E | 97.9 | Very high | 96 | Very high | 54 Ų | 54 | 29.9 Ų | 29.9 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.3 | -167.2 | 175.9 | 150.5 | 0 | 0 | 112.5 | H752 L754 N887 L888 R889 Y893 D894 K897 | H752-E891 PolarHBondContact CE1-O 3.18Å; H752-E891 PolarHBondContact NE2-O 3.16Å; L754-E891 HydrophobicContact CD1-CB 4.2Å; L754-E891 HydrophobicContact CD1-CG 4.36Å; L754-E891 HydrophobicContact CD2-CB 4.47Å; L754-E891 HydrophobicContact CD2-CG 3.88Å; N887-E891 PolarHBondContact O-N 2.81Å; L888-E891 WeakPolarHBondContact O-CB 3.45Å; L888-E891 PolarHBondContact O-N 3.11Å; R889-E891 VanDerWaalsContact C-N 3.28Å; R889-E891 PolarHBondContact O-N 2.87Å; E891-Y893 PolarHBondContact O-N 3.45Å; E891-Y893 VanDerWaalsContact O-N 3.14Å; E891-D894 PolarHBondContact O-N 2.96Å; E891-K897 IonicContact OE2-NZ 3.02Å; E891-K897 PolarHBondContact OE2-NZ 3.06Å |
| 892 | N | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.4 | -33.2 | 174.3 | -78.5 | 132.4 | 0 | 0 | 0 | 113.1 | F720 I724 P751 H752 L754 L888 R889 A890 | F720-N892 PolarHBondContact O-ND2 3.49Å; I724-N892 HydrophobicContact CD1-CB 4.2Å; I724-N892 HydrophobicContact CG1-CB 4.46Å; P751-N892 CarbonylContact C-O 3.4Å; P751-N892 WeakPolarHBondContact CA-O 3.44Å; P751-N892 WeakPolarHBondContact CB-O 3.39Å; H752-N892 PolarHBondContact N-O 2.92Å; H752-N892 PolarHBondContact O-ND2 2.93Å; L754-N892 WeakPolarHBondContact CG-ND2 3.33Å; L888-N892 PolarHBondContact O-N 3.46Å; R889-N892 WeakPolarHBondContact O-CB 3.38Å; R889-N892 PolarHBondContact O-N 3.3Å; A890-N892 PolarHBondContact O-N 2.98Å |
| 893 | Y | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 13.9 | -172.8 | -69.6 | -96.1 | 0 | 0 | 0 | 113.2 | N637 P639 I724 L727 R749 P751 R889 A890 E891 I895 | N637-Y893 WeakPolarHBondContact O-CE1 3.18Å; N637-Y893 PolarHBondContact O-OH 3.06Å; P639-Y893 HydrophobicContact CG-CD1 3.89Å; P639-Y893 HydrophobicContact CG-CD2 3.55Å; P639-Y893 HydrophobicContact CG-CE1 4Å; P639-Y893 HydrophobicContact CG-CE2 3.67Å; P639-Y893 HydrophobicContact CG-CG 3.69Å; I724-Y893 HydrophobicContact CD1-CE2 3.95Å; L727-Y893 VanDerWaalsContact CD2-OH 3.24Å; L727-Y893 WeakPolarHBondContact CD2-OH 3.27Å; R749-Y893 HydrophobicContact CB-CD1 4.37Å; R749-Y893 VanDerWaalsContact CD-O 3.3Å; R749-Y893 WeakPolarHBondContact CD-O 3.27Å; R749-Y893 PolarHBondContact NE-O 3.47Å; R749-Y893 WeakPolarHBondContact O-CD1 3.29Å; P751-Y893 HydrophobicContact CB-CD1 3.84Å; P751-Y893 HydrophobicContact CB-CD2 4.33Å; P751-Y893 HydrophobicContact CB-CE1 3.6Å; P751-Y893 HydrophobicContact CB-CE2 4.13Å; P751-Y893 HydrophobicContact CB-CG 4.19Å; P751-Y893 HydrophobicContact CG-CD1 4.42Å; P751-Y893 HydrophobicContact CG-CE1 3.84Å; R889-Y893 HydrophobicContact CG-CD2 4.3Å; R889-Y893 HydrophobicContact CG-CE2 4.27Å; R889-Y893 WeakPolarHBondContact O-CD2 3.26Å; R889-Y893 PolarHBondContact O-N 2.66Å; A890-Y893 CarbonylContact O-C 3.51Å; A890-Y893 PolarHBondContact O-N 2.89Å; A890-Y893 VanDerWaalsContact O-N 3.15Å; E891-Y893 PolarHBondContact O-N 3.45Å; E891-Y893 VanDerWaalsContact O-N 3.14Å; Y893-I895 VanDerWaalsContact C-N 3.27Å; Y893-I895 PolarHBondContact O-N 3.08Å |
| 894 | D | 94.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 33.7 Ų | 33.7 | 51% | 0.508 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.8 | -176.4 | -57.4 | -44.1 | 0 | 0 | 0 | 113.3 | R749 H752 A890 E891 | R749-D894 PolarHBondContact NE-O 2.86Å; R749-D894 PolarHBondContact NH2-O 3.14Å; H752-D894 IonicContact CD2-OD1 3.09Å; H752-D894 IonicContact CD2-OD2 2.83Å; H752-D894 IonicContact CE1-OD1 3.83Å; H752-D894 IonicContact NE2-OD1 3.68Å; H752-D894 PolarHBondContact NE2-OD1 3.15Å; H752-D894 IonicContact NE2-OD2 3.9Å; A890-D894 PolarHBondContact O-N 2.61Å; E891-D894 PolarHBondContact O-N 2.96Å |
| 895 | I | 93.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 9% | 0.092 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -95.9 | 142.4 | 175.6 | -60.9 | 168.6 | 0 | 0 | 0 | 108.8 | P639 I642 T645 A890 Y893 K897 | P639-I895 HydrophobicContact CB-CD1 4.02Å; P639-I895 HydrophobicContact CG-CD1 4.38Å; I642-I895 HydrophobicContact CB-CG2 4.26Å; T645-I895 HydrophobicContact CG2-CD1 3.99Å; A890-I895 HydrophobicContact CB-CB 3.92Å; A890-I895 HydrophobicContact CB-CG2 4.24Å; A890-I895 PolarHBondContact O-N 2.86Å; Y893-I895 VanDerWaalsContact C-N 3.27Å; Y893-I895 PolarHBondContact O-N 3.08Å; I895-K897 PolarHBondContact O-N 3.42Å |
| 896 | E | 93 | Very high | 94.3 | Very high | 139 Ų | 139 | 37.4 Ų | 37.4 | 65% | 0.65 | 18% | 0.183 | S | C | * | . | P | Polyproline II helix | trans | -61.8 | 127.1 | 175.2 | -170.8 | 176.1 | 173.2 | 0 | 0 | 110.7 | I642 | I642-E896 WeakPolarHBondContact CD1-O 3.44Š|
| 897 | K | 96.2 | Very high | 94 | Very high | 90 Ų | 90 | 37.7 Ų | 37.7 | 39% | 0.391 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -69.7 | 151 | -178.2 | -66.2 | 179.3 | 179.3 | -176 | 0 | 111.2 | N887 A890 E891 I895 | N887-K897 HydrophobicContact CB-CB 4.43Å; N887-K897 HydrophobicContact CB-CD 4.13Å; N887-K897 HydrophobicContact CB-CG 4.12Å; N887-K897 WeakPolarHBondContact O-CE 3.21Å; N887-K897 WeakPolarHBondContact OD1-CB 3.43Å; A890-K897 HydrophobicContact CB-CG 4.43Å; E891-K897 IonicContact OE2-NZ 3.02Å; E891-K897 PolarHBondContact OE2-NZ 3.06Å; I895-K897 PolarHBondContact O-N 3.42Å |
| 898 | A | 94.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 149.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I642 I646 N887 K902 | I642-A898 HydrophobicContact CD1-CB 4.05Å; I642-A898 HydrophobicContact CG1-CB 3.52Å; I646-A898 HydrophobicContact CD1-CB 4.31Å; N887-A898 PolarHBondContact ND2-O 3.3Å; N887-A898 PolarHBondContact OD1-N 3.05Å; N887-A898 PolarHBondContact OD1-O 3.47Å; A898-K902 HydrophobicContact CB-CB 4.11Å; A898-K902 HydrophobicContact CB-CG 4.02Å |
| 899 | D | 92 | Very high | 92.9 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -76.2 | 173.9 | 166.2 | 65.8 | 20.9 | 0 | 0 | 0 | 111.5 | L901 K902 T903 | D899-L901 VanDerWaalsContact C-N 3.27Å; D899-L901 PolarHBondContact O-N 3.48Å; D899-L901 PolarHBondContact OD1-N 3.24Å; D899-K902 VanDerWaalsContact OD1-CB 3.25Å; D899-K902 WeakPolarHBondContact OD1-CB 3.45Å; D899-K902 PolarHBondContact OD1-N 3Å; D899-T903 WeakPolarHBondContact O-CB 3.4Å; D899-T903 PolarHBondContact O-N 3.33Å; D899-T903 PolarHBondContact O-OG1 3.46Å |
| 900 | L | 90.2 | Very high | 92.3 | Very high | 66 Ų | 66 | 46 Ų | 46 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -38.7 | 178.8 | -177.4 | 67 | 0 | 0 | 0 | 112 | M879 T883 T903 K904 | M879-L900 HydrophobicContact CB-CD1 3.74Å; M879-L900 HydrophobicContact CE-CD1 4.4Å; T883-L900 WeakPolarHBondContact OG1-CD1 3.18Å; L900-T903 PolarHBondContact O-N 3.07Å; L900-K904 WeakPolarHBondContact O-CB 3.35Å; L900-K904 PolarHBondContact O-N 2.95Å |
| 901 | L | 86.5 | Confident | 91.8 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.5 | -45.4 | -175.4 | -177.5 | 69.5 | 0 | 0 | 0 | 111.2 | I38 Y39 D899 K904 Q905 | I38-L901 HydrophobicContact CG2-CD2 3.87Å; Y39-L901 HydrophobicContact CE1-CD1 4.15Å; Y39-L901 HydrophobicContact CE1-CG 4Å; Y39-L901 WeakPolarHBondContact OH-CD1 3.47Å; Y39-L901 PolarHBondContact OH-O 3.41Å; D899-L901 VanDerWaalsContact C-N 3.27Å; D899-L901 PolarHBondContact O-N 3.48Å; D899-L901 PolarHBondContact OD1-N 3.24Å; L901-K904 PolarHBondContact O-N 3.29Å; L901-Q905 PolarHBondContact O-N 2.75Å |
| 902 | K | 89.2 | Confident | 91.6 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 34% | 0.335 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 175.4 | -178 | 57.7 | 172.3 | 169.6 | 0 | 111 | A898 D899 Q905 I906 | A898-K902 HydrophobicContact CB-CB 4.11Å; A898-K902 HydrophobicContact CB-CG 4.02Å; D899-K902 VanDerWaalsContact OD1-CB 3.25Å; D899-K902 WeakPolarHBondContact OD1-CB 3.45Å; D899-K902 PolarHBondContact OD1-N 3Å; K902-Q905 WeakPolarHBondContact O-CB 3.43Å; K902-Q905 PolarHBondContact O-N 3.44Å; K902-I906 HydrophobicContact CD-CD1 4.03Å; K902-I906 HydrophobicContact CG-CD1 4.24Å; K902-I906 PolarHBondContact O-N 3.18Å |
| 903 | T | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 174.6 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | I646 M879 V882 T883 D899 L900 Q905 I906 A907 | I646-T903 HydrophobicContact CD1-CG2 4.38Å; I646-T903 HydrophobicContact CG1-CG2 4.12Å; I646-T903 HydrophobicContact CG2-CG2 4.16Å; M879-T903 HydrophobicContact CE-CG2 3.77Å; V882-T903 HydrophobicContact CG1-CG2 3.92Å; T883-T903 WeakPolarHBondContact OG1-CG2 3.46Å; D899-T903 WeakPolarHBondContact O-CB 3.4Å; D899-T903 PolarHBondContact O-N 3.33Å; D899-T903 PolarHBondContact O-OG1 3.46Å; L900-T903 PolarHBondContact O-N 3.07Å; T903-Q905 VanDerWaalsContact C-N 3.28Å; T903-Q905 PolarHBondContact O-N 3.03Å; T903-I906 PolarHBondContact O-N 3.09Å; T903-A907 WeakPolarHBondContact O-CB 3.47Å; T903-A907 PolarHBondContact O-N 3.05Å |
| 904 | K | 92.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.1 | -41.3 | 177.2 | -176.1 | 158.2 | 172.7 | 159.3 | 0 | 111.6 | K871 D872 D874 M879 L900 L901 I906 G908 I910 | K871-K904 WeakPolarHBondContact O-CE 3.28Å; K871-K904 PolarHBondContact O-NZ 3.05Å; D872-K904 WeakPolarHBondContact OD1-CE 3.46Å; D872-K904 IonicContact OD1-NZ 2.7Å; D874-K904 IonicContact OD1-NZ 3.34Å; D874-K904 PolarHBondContact OD1-NZ 2.85Å; M879-K904 HydrophobicContact CE-CB 3.74Å; M879-K904 HydrophobicContact CE-CG 4.46Å; M879-K904 VanDerWaalsContact CE-N 3.33Å; M879-K904 HydrophobicContact CG-CD 4.42Å; M879-K904 HydrophobicContact SD-CB 4.22Å; M879-K904 HydrophobicContact SD-CG 4.31Å; L900-K904 WeakPolarHBondContact O-CB 3.35Å; L900-K904 PolarHBondContact O-N 2.95Å; L901-K904 PolarHBondContact O-N 3.29Å; K904-I906 PolarHBondContact O-N 3Å; K904-G908 WeakPolarHBondContact O-CA 3.25Å; K904-G908 PolarHBondContact O-N 2.83Å; K904-I910 HydrophobicContact CB-CD1 4.49Å; K904-I910 HydrophobicContact CG-CD1 3.65Å; K904-I910 VanDerWaalsContact O-CD1 3.23Å; K904-I910 WeakPolarHBondContact O-CD1 3.45Å |
| 905 | Q | 89.4 | Confident | 91.6 | Very high | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.1 | -52.9 | 176.2 | -164.6 | -175.4 | 6.6 | 0 | 0 | 112 | Y39 L901 K902 T903 R909 I910 | Y39-Q905 HydrophobicContact CD1-CB 4.03Å; Y39-Q905 HydrophobicContact CD1-CG 3.58Å; Y39-Q905 HydrophobicContact CD2-CG 4.1Å; Y39-Q905 HydrophobicContact CE1-CB 3.41Å; Y39-Q905 VanDerWaalsContact CE1-CB 3.41Å; Y39-Q905 HydrophobicContact CE1-CG 3.52Å; Y39-Q905 HydrophobicContact CE2-CB 4.19Å; Y39-Q905 HydrophobicContact CE2-CG 4.05Å; Y39-Q905 HydrophobicContact CG-CG 3.88Å; Y39-Q905 VanDerWaalsContact CZ-CB 3.49Å; Y39-Q905 PolarHBondContact OH-N 3.37Å; L901-Q905 PolarHBondContact O-N 2.75Å; K902-Q905 WeakPolarHBondContact O-CB 3.43Å; K902-Q905 PolarHBondContact O-N 3.44Å; T903-Q905 VanDerWaalsContact C-N 3.28Å; T903-Q905 PolarHBondContact O-N 3.03Å; Q905-R909 PolarHBondContact O-N 3.04Å; Q905-I910 PolarHBondContact O-N 3.03Å |
| 906 | I | 90.5 | Very high | 91.8 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.9 | -52.3 | -171.4 | -64.8 | 165.1 | 0 | 0 | 0 | 110 | E643 I646 K902 T903 K904 G908 R909 | E643-I906 HydrophobicContact CG-CD1 3.93Å; I646-I906 HydrophobicContact CB-CG2 4.01Å; I646-I906 HydrophobicContact CD1-CB 4.02Å; I646-I906 HydrophobicContact CD1-CD1 3.5Å; I646-I906 HydrophobicContact CD1-CG1 4.33Å; I646-I906 HydrophobicContact CD1-CG2 4.24Å; I646-I906 HydrophobicContact CG2-CB 3.97Å; I646-I906 HydrophobicContact CG2-CG2 3.69Å; K902-I906 HydrophobicContact CD-CD1 4.03Å; K902-I906 HydrophobicContact CG-CD1 4.24Å; K902-I906 PolarHBondContact O-N 3.18Å; T903-I906 PolarHBondContact O-N 3.09Å; K904-I906 PolarHBondContact O-N 3Å; I906-G908 VanDerWaalsContact C-N 3.3Å; I906-G908 PolarHBondContact O-N 2.89Å; I906-R909 PolarHBondContact O-N 2.83Å; I906-R909 VanDerWaalsContact O-N 3.16Å |
| 907 | A | 91.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 5% | 0.05 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I646 F869 M879 V882 T903 R909 | I646-A907 HydrophobicContact CG2-CB 3.68Å; F869-A907 HydrophobicContact CZ-CB 4.34Å; M879-A907 HydrophobicContact CE-CB 4.4Å; V882-A907 HydrophobicContact CG1-CB 3.81Å; T903-A907 WeakPolarHBondContact O-CB 3.47Å; T903-A907 PolarHBondContact O-N 3.05Å; A907-R909 VanDerWaalsContact C-N 3.29Å; A907-R909 PolarHBondContact O-N 3.19Å |
| 908 | G | 86.7 | Confident | 92.2 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 0.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K904 I906 I910 | K904-G908 WeakPolarHBondContact O-CA 3.25Å; K904-G908 PolarHBondContact O-N 2.83Å; I906-G908 VanDerWaalsContact C-N 3.3Å; I906-G908 PolarHBondContact O-N 2.89Å; G908-I910 PolarHBondContact O-N 3.42Å; G908-I910 VanDerWaalsContact O-N 3.17Å |
| 909 | R | 86.5 | Confident | 92.4 | Very high | 165 Ų | 165 | 31.7 Ų | 31.7 | 62% | 0.623 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 45.7 | -172.5 | -59.6 | -173.3 | -177.3 | -172.4 | 4.1 | 112 | E627 Q905 I906 A907 I911 | E627-R909 IonicContact OE2-NH1 3.98Å; Q905-R909 PolarHBondContact O-N 3.04Å; I906-R909 PolarHBondContact O-N 2.83Å; I906-R909 VanDerWaalsContact O-N 3.16Å; A907-R909 VanDerWaalsContact C-N 3.29Å; A907-R909 PolarHBondContact O-N 3.19Å; R909-I911 PolarHBondContact O-N 3.26Å |
| 910 | I | 86.1 | Confident | 92.7 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 117.5 | -171 | -69.8 | 173 | 0 | 0 | 0 | 109.7 | Y39 K871 K904 Q905 G908 P912 | Y39-I910 HydrophobicContact CD2-CB 4.47Å; Y39-I910 HydrophobicContact CD2-CG2 3.62Å; Y39-I910 HydrophobicContact CE2-CB 4.16Å; Y39-I910 HydrophobicContact CE2-CD1 3.98Å; Y39-I910 HydrophobicContact CE2-CG2 3.58Å; K871-I910 HydrophobicContact CD-CG1 4.28Å; K904-I910 HydrophobicContact CB-CD1 4.49Å; K904-I910 HydrophobicContact CG-CD1 3.65Å; K904-I910 VanDerWaalsContact O-CD1 3.23Å; K904-I910 WeakPolarHBondContact O-CD1 3.45Å; Q905-I910 PolarHBondContact O-N 3.03Å; G908-I910 PolarHBondContact O-N 3.42Å; G908-I910 VanDerWaalsContact O-N 3.17Å; I910-P912 WeakPolarHBondContact O-CD 3.31Å |
| 911 | I | 88.1 | Confident | 93.1 | Very high | 80 Ų | 80 | 24.2 Ų | 24.2 | 41% | 0.41 | 12% | 0.116 | S | C | . | . | P | Polyproline II helix | trans | -74.6 | 119 | 171.4 | -56.4 | 176.4 | 0 | 0 | 0 | 108.7 | Q602 R909 | Q602-I911 HydrophobicContact CG-CG2 4.36Å; R909-I911 PolarHBondContact O-N 3.26Å |
| 912 | P | 92.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 22.6 Ų | 22.6 | 15% | 0.149 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 138.4 | 173.2 | -21.4 | 33.7 | 0 | 0 | 0 | 110.3 | V40 G603 I910 | V40-P912 HydrophobicContact CG2-CB 3.62Å; G603-P912 PolarHBondContact N-O 3.29Å; I910-P912 WeakPolarHBondContact O-CD 3.31Å |
| 913 | A | 95.1 | Very high | 94.1 | Very high | 7 Ų | 7 | 19 Ų | 19 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | trans | -153.4 | 148.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R36 Q37 | R36-A913 CarbonylContact C-O 3.59Å; R36-A913 HydrophobicContact CB-CB 4.29Å; R36-A913 PolarHBondContact O-N 3.01Å; Q37-A913 WeakPolarHBondContact CA-O 3.5Å; Q37-A913 PolarHBondContact N-O 3.33Å | ||
| 914 | I | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -143.6 | 147.2 | 178.6 | -168.3 | 168.1 | 0 | 0 | 0 | 110.1 | Q37 V40 L41 M408 T916 T917 T918 | Q37-I914 HydrophobicContact CG-CD1 3.97Å; Q37-I914 HydrophobicContact CG-CG1 4.08Å; V40-I914 HydrophobicContact CG1-CB 4.43Å; V40-I914 HydrophobicContact CG1-CG2 4.21Å; V40-I914 HydrophobicContact CG2-CB 4.44Å; L41-I914 HydrophobicContact CD1-CD1 3.97Å; L41-I914 HydrophobicContact CD2-CD1 4.2Å; L41-I914 HydrophobicContact CG-CD1 4.13Å; M408-I914 HydrophobicContact CE-CD1 4.46Å; M408-I914 HydrophobicContact SD-CD1 3.72Å; I914-T916 VanDerWaalsContact C-N 3.26Å; I914-T916 VanDerWaalsContact CG2-OG1 3.27Å; I914-T916 WeakPolarHBondContact CG2-OG1 3.34Å; I914-T916 PolarHBondContact O-N 3.46Å; I914-T917 WeakPolarHBondContact CG2-OG1 3.38Å; I914-T918 PolarHBondContact O-N 2.85Å; I914-T918 PolarHBondContact O-OG1 3.45Å | ||
| 915 | A | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.7 | -32.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N69 L72 R516 T918 A919 | N69-A915 WeakPolarHBondContact OD1-CB 3.37Å; N69-A915 PolarHBondContact OD1-O 3.36Å; L72-A915 HydrophobicContact CB-CB 4.34Å; L72-A915 HydrophobicContact CD1-CB 4.02Å; R516-A915 HydrophobicContact CB-CB 4.14Å; A915-T918 WeakPolarHBondContact O-CB 3.24Å; A915-T918 PolarHBondContact O-N 3.43Å; A915-A919 WeakPolarHBondContact O-CB 3.24Å; A915-A919 PolarHBondContact O-N 2.91Å |
| 916 | T | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.8 | -53.5 | -178.5 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | N69 A404 Q405 M408 I914 T918 A919 A920 | N69-T916 HydrophobicContact CB-CG2 4.1Å; A404-T916 HydrophobicContact CB-CG2 3.77Å; Q405-T916 HydrophobicContact CB-CG2 4.19Å; Q405-T916 PolarHBondContact OE1-OG1 2.95Å; M408-T916 HydrophobicContact CE-CG2 3.75Å; M408-T916 HydrophobicContact SD-CG2 4.17Å; I914-T916 VanDerWaalsContact C-N 3.26Å; I914-T916 VanDerWaalsContact CG2-OG1 3.27Å; I914-T916 WeakPolarHBondContact CG2-OG1 3.34Å; I914-T916 PolarHBondContact O-N 3.46Å; T916-T918 VanDerWaalsContact C-N 3.29Å; T916-T918 PolarHBondContact O-N 3.37Å; T916-A919 PolarHBondContact O-N 3.18Å; T916-A920 WeakPolarHBondContact O-CB 3.5Å; T916-A920 PolarHBondContact O-N 3.43Å |
| 917 | T | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 176.7 | -44.3 | 0 | 0 | 0 | 0 | 111.1 | T601 G603 P604 K605 I914 A920 V921 I950 | T601-T917 HydrophobicContact CG2-CG2 4.03Å; G603-T917 WeakPolarHBondContact O-CB 3.37Å; G603-T917 PolarHBondContact O-OG1 2.91Å; P604-T917 WeakPolarHBondContact CA-OG1 3.26Å; K605-T917 WeakPolarHBondContact O-CG2 3.38Å; I914-T917 WeakPolarHBondContact CG2-OG1 3.38Å; T917-A920 PolarHBondContact O-N 3.4Å; T917-V921 HydrophobicContact CG2-CG2 4.34Å; T917-V921 WeakPolarHBondContact O-CB 3.12Å; T917-V921 WeakPolarHBondContact O-CG2 3.35Å; T917-V921 PolarHBondContact O-N 3.12Å; T917-I950 HydrophobicContact CG2-CD1 4.47Å |
| 918 | T | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 179.6 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | A479 I480 E483 I914 A915 T916 A920 V921 A922 | A479-T918 HydrophobicContact CB-CG2 3.67Å; A479-T918 VanDerWaalsContact O-CG2 3.32Å; A479-T918 WeakPolarHBondContact O-CG2 3.5Å; I480-T918 HydrophobicContact CB-CG2 4.48Å; I480-T918 HydrophobicContact CG1-CG2 3.94Å; E483-T918 HydrophobicContact CG-CG2 3.79Å; I914-T918 PolarHBondContact O-N 2.85Å; I914-T918 PolarHBondContact O-OG1 3.45Å; A915-T918 WeakPolarHBondContact O-CB 3.24Å; A915-T918 PolarHBondContact O-N 3.43Å; T916-T918 VanDerWaalsContact C-N 3.29Å; T916-T918 PolarHBondContact O-N 3.37Å; T918-A920 VanDerWaalsContact C-N 3.31Å; T918-A920 PolarHBondContact O-N 3.26Å; T918-V921 PolarHBondContact O-N 2.85Å; T918-A922 WeakPolarHBondContact O-CB 3.23Å; T918-A922 PolarHBondContact O-N 3.37Å |
| 919 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E65 Y487 A915 T916 G923 | E65-A919 WeakPolarHBondContact OE1-CB 3.36Å; Y487-A919 PolarHBondContact OH-O 2.9Å; A915-A919 WeakPolarHBondContact O-CB 3.24Å; A915-A919 PolarHBondContact O-N 2.91Å; T916-A919 PolarHBondContact O-N 3.18Å; A919-G923 PolarHBondContact O-N 3.46Å |
| 920 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F398 T916 T917 T918 G923 L924 I950 L952 | F398-A920 HydrophobicContact CD2-CB 4.1Å; T916-A920 WeakPolarHBondContact O-CB 3.5Å; T916-A920 PolarHBondContact O-N 3.43Å; T917-A920 PolarHBondContact O-N 3.4Å; T918-A920 VanDerWaalsContact C-N 3.31Å; T918-A920 PolarHBondContact O-N 3.26Å; A920-G923 PolarHBondContact O-N 2.95Å; A920-L924 WeakPolarHBondContact O-CG 3.4Å; A920-L924 PolarHBondContact O-N 3.48Å; A920-I950 HydrophobicContact CB-CD1 3.92Å; A920-L952 HydrophobicContact CB-CD1 4.43Å |
| 921 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 179.4 | 167.5 | 0 | 0 | 0 | 0 | 111.8 | T601 V608 T917 T918 G923 L924 A925 I950 | T601-V921 HydrophobicContact CG2-CB 4.06Å; T601-V921 HydrophobicContact CG2-CG1 4.33Å; T601-V921 HydrophobicContact CG2-CG2 3.83Å; V608-V921 HydrophobicContact CG2-CG1 3.84Å; V608-V921 WeakPolarHBondContact CG2-O 3.39Å; T917-V921 HydrophobicContact CG2-CG2 4.34Å; T917-V921 WeakPolarHBondContact O-CB 3.12Å; T917-V921 WeakPolarHBondContact O-CG2 3.35Å; T917-V921 PolarHBondContact O-N 3.12Å; T918-V921 PolarHBondContact O-N 2.85Å; V921-G923 VanDerWaalsContact C-N 3.3Å; V921-G923 PolarHBondContact O-N 2.87Å; V921-L924 PolarHBondContact O-N 3.33Å; V921-A925 PolarHBondContact O-N 2.89Å; V921-I950 HydrophobicContact CG2-CD1 3.85Å; V921-I950 HydrophobicContact CG2-CG1 4.3Å |
| 922 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E483 L484 Y487 T918 A925 C926 | E483-A922 HydrophobicContact CB-CB 3.39Å; E483-A922 HydrophobicContact CG-CB 4.4Å; L484-A922 HydrophobicContact CD2-CB 4.25Å; L484-A922 HydrophobicContact CG-CB 4.46Å; Y487-A922 HydrophobicContact CD2-CB 4.03Å; Y487-A922 HydrophobicContact CE2-CB 3.76Å; T918-A922 WeakPolarHBondContact O-CB 3.23Å; T918-A922 PolarHBondContact O-N 3.37Å; A922-A925 PolarHBondContact O-N 2.91Å; A922-C926 PolarHBondContact O-N 2.84Å; A922-C926 PolarHBondContact O-SG 3.19Å |
| 923 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P394 A919 A920 V921 C926 L927 | P394-G923 WeakPolarHBondContact CB-O 3.42Å; A919-G923 PolarHBondContact O-N 3.46Å; A920-G923 PolarHBondContact O-N 2.95Å; V921-G923 VanDerWaalsContact C-N 3.3Å; V921-G923 PolarHBondContact O-N 2.87Å; G923-C926 PolarHBondContact O-N 3.03Å; G923-L927 WeakPolarHBondContact O-CG 3.03Å; G923-L927 PolarHBondContact O-N 3.36Å; G923-L927 VanDerWaalsContact O-N 3.12Å |
| 924 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 1.5 Ų | 1.5 | 2% | 0.016 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.3 | -67.8 | 175.8 | 0 | 0 | 0 | 112.5 | F398 F424 V608 A920 V921 C926 L927 E928 I950 F959 | F398-L924 HydrophobicContact CB-CD2 4.46Å; F398-L924 HydrophobicContact CD1-CD2 4.21Å; F398-L924 HydrophobicContact CD2-CD1 3.95Å; F398-L924 HydrophobicContact CD2-CD2 3.74Å; F398-L924 HydrophobicContact CD2-CG 3.64Å; F398-L924 HydrophobicContact CE1-CD2 4.43Å; F398-L924 HydrophobicContact CE2-CD1 3.85Å; F398-L924 HydrophobicContact CE2-CD2 3.99Å; F398-L924 HydrophobicContact CE2-CG 4.01Å; F398-L924 HydrophobicContact CG-CD2 3.87Å; F398-L924 HydrophobicContact CG-CG 4.16Å; F398-L924 HydrophobicContact CZ-CD2 4.33Å; F424-L924 HydrophobicContact CZ-CD2 4.08Å; V608-L924 HydrophobicContact CG2-CB 3.88Å; A920-L924 WeakPolarHBondContact O-CG 3.4Å; A920-L924 PolarHBondContact O-N 3.48Å; V921-L924 PolarHBondContact O-N 3.33Å; L924-C926 VanDerWaalsContact C-N 3.29Å; L924-C926 PolarHBondContact O-N 3.41Å; L924-L927 HydrophobicContact CD2-CD1 4.07Å; L924-L927 WeakPolarHBondContact O-CB 3.42Å; L924-L927 PolarHBondContact O-N 3.07Å; L924-L927 VanDerWaalsContact O-N 3.08Å; L924-E928 PolarHBondContact O-N 2.88Å; L924-I950 HydrophobicContact CD1-CG2 4.01Å; L924-F959 HydrophobicContact CD1-CE1 4.3Å; L924-F959 HydrophobicContact CD1-CZ 4.45Å; L924-F959 HydrophobicContact CD2-CE1 3.92Å; L924-F959 HydrophobicContact CD2-CZ 4.11Å |
| 925 | A | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 2.1 Ų | 2.1 | 1% | 0.008 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L484 V608 V921 A922 L927 E928 F929 | L484-A925 HydrophobicContact CD2-CB 4.25Å; V608-A925 HydrophobicContact CG1-CB 4.1Å; V608-A925 HydrophobicContact CG2-CB 4.19Å; V921-A925 PolarHBondContact O-N 2.89Å; A922-A925 PolarHBondContact O-N 2.91Å; A925-L927 VanDerWaalsContact C-N 3.3Å; A925-L927 PolarHBondContact O-N 3.46Å; A925-E928 PolarHBondContact O-N 2.82Å; A925-F929 PolarHBondContact O-N 3.44Å |
| 926 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -71.8 | -21.8 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | P394 Y487 M491 A922 G923 L924 F929 Y930 | P394-C926 HydrophobicContact CB-CB 3.82Å; P394-C926 HydrophobicContact CG-CB 3.52Å; Y487-C926 VanDerWaalsContact CB-SG 3.57Å; M491-C926 HydrophobicContact CE-CB 4.48Å; M491-C926 HydrophobicContact SD-CB 3.89Å; A922-C926 PolarHBondContact O-N 2.84Å; A922-C926 PolarHBondContact O-SG 3.19Å; G923-C926 PolarHBondContact O-N 3.03Å; L924-C926 VanDerWaalsContact C-N 3.29Å; L924-C926 PolarHBondContact O-N 3.41Å; C926-F929 WeakPolarHBondContact O-CB 3.46Å; C926-Y930 PolarHBondContact O-N 2.8Å |
| 927 | L | 98.8 | Very high | 97 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.016 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -68.9 | -43.9 | 168.9 | -66.5 | 172.5 | 0 | 0 | 0 | 110.8 | L193 P394 I395 F424 A426 C429 G923 L924 A925 F929 Y930 | L193-L927 HydrophobicContact CD2-CD2 4.29Å; P394-L927 HydrophobicContact CB-CD2 3.75Å; P394-L927 HydrophobicContact CB-CG 3.95Å; I395-L927 HydrophobicContact CD1-CD1 3.99Å; I395-L927 HydrophobicContact CD1-CD2 3.77Å; I395-L927 HydrophobicContact CG1-CD2 4.01Å; F424-L927 HydrophobicContact CE1-CD1 3.93Å; F424-L927 HydrophobicContact CZ-CD1 3.98Å; A426-L927 HydrophobicContact CB-CD1 3.86Å; A426-L927 HydrophobicContact CB-CD2 4.09Å; A426-L927 HydrophobicContact CB-CG 4.47Å; C429-L927 PolarHBondContact SG-O 3.06Å; C429-L927 VanDerWaalsContact SG-O 3.35Å; G923-L927 WeakPolarHBondContact O-CG 3.03Å; G923-L927 PolarHBondContact O-N 3.36Å; G923-L927 VanDerWaalsContact O-N 3.12Å; L924-L927 HydrophobicContact CD2-CD1 4.07Å; L924-L927 WeakPolarHBondContact O-CB 3.42Å; L924-L927 PolarHBondContact O-N 3.07Å; L924-L927 VanDerWaalsContact O-N 3.08Å; A925-L927 VanDerWaalsContact C-N 3.3Å; A925-L927 PolarHBondContact O-N 3.46Å; L927-F929 VanDerWaalsContact C-N 3.29Å; L927-F929 PolarHBondContact O-N 2.86Å; L927-Y930 HydrophobicContact CD2-CD2 4.48Å; L927-Y930 PolarHBondContact O-N 3.31Å |
| 928 | E | 98.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 11.5 Ų | 11.5 | 3% | 0.033 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.1 | -33.9 | 174.6 | -60.2 | -50.2 | 119.1 | 0 | 0 | 111.7 | L597 V608 L924 A925 Y930 K931 V932 F945 K946 | L597-E928 HydrophobicContact CD2-CB 3.88Å; V608-E928 HydrophobicContact CG1-CG 4.32Å; L924-E928 PolarHBondContact O-N 2.88Å; A925-E928 PolarHBondContact O-N 2.82Å; E928-Y930 VanDerWaalsContact C-N 3.3Å; E928-Y930 PolarHBondContact O-N 3.35Å; E928-K931 VanDerWaalsContact CD-NZ 3.3Å; E928-K931 WeakPolarHBondContact O-CA 3.44Å; E928-K931 WeakPolarHBondContact O-CB 3.43Å; E928-K931 PolarHBondContact O-N 3.21Å; E928-K931 WeakPolarHBondContact OE1-CE 3.36Å; E928-K931 IonicContact OE1-NZ 3.01Å; E928-K931 PolarHBondContact OE1-NZ 3.46Å; E928-K931 WeakPolarHBondContact OE2-CD 3.49Å; E928-K931 IonicContact OE2-NZ 2.91Å; E928-K931 PolarHBondContact OE2-NZ 2.96Å; E928-K931 VanDerWaalsContact OE2-NZ 3.15Å; E928-V932 WeakPolarHBondContact O-CG2 3.19Å; E928-V932 PolarHBondContact O-N 2.88Å; E928-F945 WeakPolarHBondContact OE2-CA 3.38Å; E928-K946 PolarHBondContact OE2-N 2.95Å |
| 929 | F | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.6 | -43.9 | 172.7 | 178.8 | -88.4 | 0 | 0 | 0 | 112.8 | L467 Q470 W472 F488 M491 V493 L597 A925 C926 L927 K931 V932 V933 | L467-F929 HydrophobicContact CD2-CD1 4.31Å; L467-F929 HydrophobicContact CD2-CE1 3.66Å; Q470-F929 HydrophobicContact CG-CZ 4.22Å; W472-F929 AromaticContact CD1-CE2 3.97Å; W472-F929 HydrophobicContact CD2-CD2 4.12Å; W472-F929 AromaticContact CD2-CE2 3.49Å; W472-F929 HydrophobicContact CD2-CE2 3.49Å; W472-F929 VanDerWaalsContact CD2-CE2 3.49Å; W472-F929 AromaticContact CE2-CD2 3.86Å; W472-F929 AromaticContact CE2-CE2 3.22Å; W472-F929 HydrophobicContact CE3-CD2 4.15Å; W472-F929 AromaticContact CE3-CE2 3.94Å; W472-F929 HydrophobicContact CE3-CE2 3.94Å; W472-F929 AromaticContact CG-CE2 3.95Å; W472-F929 HydrophobicContact CG-CE2 3.95Å; W472-F929 AromaticContact CH2-CD2 3.66Å; W472-F929 HydrophobicContact CH2-CD2 3.66Å; W472-F929 AromaticContact CH2-CE2 3.94Å; W472-F929 HydrophobicContact CH2-CE2 3.94Å; W472-F929 AromaticContact CZ2-CD2 3.62Å; W472-F929 HydrophobicContact CZ2-CD2 3.62Å; W472-F929 AromaticContact CZ2-CE2 3.48Å; W472-F929 HydrophobicContact CZ2-CE2 3.48Å; W472-F929 VanDerWaalsContact CZ2-CE2 3.48Å; W472-F929 HydrophobicContact CZ2-CZ 4.45Å; W472-F929 AromaticContact CZ3-CD2 3.93Å; W472-F929 HydrophobicContact CZ3-CD2 3.93Å; W472-F929 HydrophobicContact CZ3-CE2 4.15Å; W472-F929 AromaticContact NE1-CE2 3.55Å; W472-F929 AromaticContact NE1-CZ 3.97Å; F488-F929 AromaticContact CE1-CD2 3.98Å; F488-F929 HydrophobicContact CE1-CD2 3.98Å; F488-F929 HydrophobicContact CE1-CE2 4.3Å; F488-F929 HydrophobicContact CE1-CG 4.15Å; F488-F929 HydrophobicContact CE2-CD2 4.42Å; F488-F929 HydrophobicContact CE2-CE2 4.13Å; F488-F929 AromaticContact CZ-CD2 3.6Å; F488-F929 HydrophobicContact CZ-CD2 3.6Å; F488-F929 AromaticContact CZ-CE2 3.75Å; F488-F929 HydrophobicContact CZ-CE2 3.75Å; F488-F929 HydrophobicContact CZ-CG 4.24Å; M491-F929 HydrophobicContact CE-CD1 3.36Å; M491-F929 HydrophobicContact CE-CE1 3.8Å; M491-F929 HydrophobicContact CE-CG 4.23Å; V493-F929 HydrophobicContact CB-CZ 4.43Å; V493-F929 HydrophobicContact CG1-CE1 4.47Å; V493-F929 HydrophobicContact CG1-CE2 4.47Å; V493-F929 HydrophobicContact CG1-CZ 3.75Å; V493-F929 HydrophobicContact CG2-CE1 3.63Å; V493-F929 HydrophobicContact CG2-CZ 3.72Å; L597-F929 HydrophobicContact CD1-CB 3.65Å; L597-F929 HydrophobicContact CD1-CD2 3.88Å; L597-F929 HydrophobicContact CD1-CG 4.27Å; A925-F929 PolarHBondContact O-N 3.44Å; C926-F929 WeakPolarHBondContact O-CB 3.46Å; L927-F929 VanDerWaalsContact C-N 3.29Å; L927-F929 PolarHBondContact O-N 2.86Å; F929-K931 PolarHBondContact O-N 3.45Å; F929-V932 PolarHBondContact O-N 3.12Å; F929-V933 HydrophobicContact CD1-CG2 4.12Å; F929-V933 HydrophobicContact CE1-CG2 3.66Å; F929-V933 HydrophobicContact CE2-CG2 4.44Å; F929-V933 HydrophobicContact CZ-CG2 3.84Å; F929-V933 WeakPolarHBondContact O-CG2 3.03Å; F929-V933 PolarHBondContact O-N 3.32Å |
| 930 | Y | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.2 | -40.8 | 175.9 | -70.8 | -49.9 | 0 | 0 | 0 | 112.1 | V392 P394 C429 Q455 F459 F463 L467 M491 C926 L927 E928 V933 L934 | V392-Y930 HydrophobicContact CG1-CE2 3.96Å; P394-Y930 HydrophobicContact CG-CE2 3.88Å; C429-Y930 HydrophobicContact CB-CD2 4.43Å; Q455-Y930 VanDerWaalsContact CD-OH 3.24Å; Q455-Y930 PolarHBondContact OE1-OH 3.41Å; F459-Y930 HydrophobicContact CE1-CD2 4.43Å; F459-Y930 HydrophobicContact CE1-CG 4.43Å; F459-Y930 HydrophobicContact CE2-CD2 4.29Å; F459-Y930 HydrophobicContact CE2-CE1 4.04Å; F459-Y930 AromaticContact CE2-CE2 3.83Å; F459-Y930 HydrophobicContact CE2-CE2 3.83Å; F459-Y930 AromaticContact CE2-CZ 3.68Å; F459-Y930 HydrophobicContact CZ-CD1 4.33Å; F459-Y930 AromaticContact CZ-CD2 3.69Å; F459-Y930 HydrophobicContact CZ-CD2 3.69Å; F459-Y930 HydrophobicContact CZ-CE1 4.27Å; F459-Y930 AromaticContact CZ-CE2 3.66Å; F459-Y930 HydrophobicContact CZ-CE2 3.66Å; F459-Y930 HydrophobicContact CZ-CG 4.03Å; F459-Y930 AromaticContact CZ-CZ 3.94Å; F463-Y930 AromaticContact CE1-CD1 3.49Å; F463-Y930 HydrophobicContact CE1-CD1 3.49Å; F463-Y930 VanDerWaalsContact CE1-CD1 3.49Å; F463-Y930 HydrophobicContact CE1-CE1 4.06Å; F463-Y930 HydrophobicContact CE1-CG 4.25Å; F463-Y930 AromaticContact CZ-CD1 3.88Å; F463-Y930 HydrophobicContact CZ-CD1 3.88Å; F463-Y930 HydrophobicContact CZ-CG 4.48Å; L467-Y930 HydrophobicContact CD1-CD1 4.35Å; L467-Y930 HydrophobicContact CD1-CE1 3.88Å; L467-Y930 HydrophobicContact CD2-CD1 4.07Å; L467-Y930 HydrophobicContact CD2-CE1 4.29Å; M491-Y930 HydrophobicContact CE-CD1 4Å; M491-Y930 HydrophobicContact CE-CE1 3.56Å; M491-Y930 HydrophobicContact CE-CE2 4.47Å; M491-Y930 HydrophobicContact CG-CE1 4.41Å; M491-Y930 WeakPolarHBondContact CG-OH 3.39Å; C926-Y930 PolarHBondContact O-N 2.8Å; L927-Y930 HydrophobicContact CD2-CD2 4.48Å; L927-Y930 PolarHBondContact O-N 3.31Å; E928-Y930 VanDerWaalsContact C-N 3.3Å; E928-Y930 PolarHBondContact O-N 3.35Å; Y930-V933 PolarHBondContact O-N 3.32Å; Y930-L934 WeakPolarHBondContact O-CG 3.22Å; Y930-L934 PolarHBondContact O-N 3.32Å; Y930-L934 VanDerWaalsContact O-N 3.07Å |
| 931 | K | 96.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 179.9 | -54.6 | 174.9 | -169.1 | 175.4 | 0 | 111.1 | C429 E928 F929 V933 L934 A935 R944 F945 | C429-K931 VanDerWaalsContact SG-CE 3.58Å; E928-K931 VanDerWaalsContact CD-NZ 3.3Å; E928-K931 WeakPolarHBondContact O-CA 3.44Å; E928-K931 WeakPolarHBondContact O-CB 3.43Å; E928-K931 PolarHBondContact O-N 3.21Å; E928-K931 WeakPolarHBondContact OE1-CE 3.36Å; E928-K931 IonicContact OE1-NZ 3.01Å; E928-K931 PolarHBondContact OE1-NZ 3.46Å; E928-K931 WeakPolarHBondContact OE2-CD 3.49Å; E928-K931 IonicContact OE2-NZ 2.91Å; E928-K931 PolarHBondContact OE2-NZ 2.96Å; E928-K931 VanDerWaalsContact OE2-NZ 3.15Å; F929-K931 PolarHBondContact O-N 3.45Å; K931-V933 VanDerWaalsContact C-N 3.34Å; K931-V933 PolarHBondContact O-N 2.68Å; K931-L934 PolarHBondContact O-N 3.43Å; K931-A935 WeakPolarHBondContact O-CB 3.21Å; K931-A935 PolarHBondContact O-N 3.18Å; K931-R944 VanDerWaalsContact CD-O 3.24Å; K931-R944 WeakPolarHBondContact CD-O 3.49Å; K931-R944 VanDerWaalsContact CE-O 3.31Å; K931-R944 WeakPolarHBondContact CE-O 3.35Å; K931-R944 PolarHBondContact NZ-O 3.05Å; K931-F945 HydrophobicContact CB-CD1 3.99Å; K931-F945 HydrophobicContact CB-CE1 3.64Å; K931-F945 HydrophobicContact CB-CZ 4.31Å; K931-F945 HydrophobicContact CD-CD1 4.33Å |
| 932 | V | 97.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -46 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 111 | W472 P595 L597 V610 Y612 E928 F929 A935 A936 F945 | W472-V932 HydrophobicContact CH2-CB 4.39Å; W472-V932 HydrophobicContact CH2-CG1 3.84Å; W472-V932 HydrophobicContact CZ2-CB 4.38Å; W472-V932 HydrophobicContact CZ2-CG1 3.65Å; P595-V932 HydrophobicContact CB-CG1 3.59Å; P595-V932 HydrophobicContact CG-CG1 3.83Å; L597-V932 HydrophobicContact CD2-CG2 4.06Å; V610-V932 HydrophobicContact CG2-CG2 4.06Å; Y612-V932 HydrophobicContact CD2-CG1 4.41Å; Y612-V932 HydrophobicContact CD2-CG2 4.29Å; Y612-V932 HydrophobicContact CE2-CB 4.43Å; Y612-V932 HydrophobicContact CE2-CG1 4Å; E928-V932 WeakPolarHBondContact O-CG2 3.19Å; E928-V932 PolarHBondContact O-N 2.88Å; F929-V932 PolarHBondContact O-N 3.12Å; V932-A935 PolarHBondContact O-N 3.15Å; V932-A936 PolarHBondContact O-N 3.48Å; V932-F945 HydrophobicContact CG2-CE1 3.91Å |
| 933 | V | 96.2 | Very high | 94 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.9 | -38.3 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | F463 A466 L467 Q470 F929 Y930 K931 | F463-V933 HydrophobicContact CE2-CB 4.13Å; F463-V933 HydrophobicContact CE2-CG1 3.78Å; F463-V933 HydrophobicContact CZ-CB 4.3Å; F463-V933 HydrophobicContact CZ-CG1 4.33Å; A466-V933 HydrophobicContact CB-CG1 4.29Å; L467-V933 HydrophobicContact CD2-CB 4.41Å; L467-V933 HydrophobicContact CD2-CG1 4.26Å; L467-V933 HydrophobicContact CD2-CG2 4.17Å; Q470-V933 HydrophobicContact CG-CG2 4.04Å; F929-V933 HydrophobicContact CD1-CG2 4.12Å; F929-V933 HydrophobicContact CE1-CG2 3.66Å; F929-V933 HydrophobicContact CE2-CG2 4.44Å; F929-V933 HydrophobicContact CZ-CG2 3.84Å; F929-V933 WeakPolarHBondContact O-CG2 3.03Å; F929-V933 PolarHBondContact O-N 3.32Å; Y930-V933 PolarHBondContact O-N 3.32Å; K931-V933 VanDerWaalsContact C-N 3.34Å; K931-V933 PolarHBondContact O-N 2.68Å |
| 934 | L | 94.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.8 | -48 | 173.3 | -71.4 | 173 | 0 | 0 | 0 | 111.2 | C429 H435 F463 Y930 K931 A936 A937 | C429-L934 WeakPolarHBondContact O-CD1 3.4Å; H435-L934 VanDerWaalsContact CE1-CD2 3.49Å; H435-L934 WeakPolarHBondContact CE1-CD2 2.96Å; H435-L934 PolarHBondContact NE2-O 3.01Å; F463-L934 HydrophobicContact CD2-CD2 3.58Å; F463-L934 HydrophobicContact CD2-CG 4.23Å; F463-L934 HydrophobicContact CE2-CD1 4.48Å; F463-L934 HydrophobicContact CE2-CD2 3.38Å; F463-L934 HydrophobicContact CE2-CG 3.51Å; F463-L934 HydrophobicContact CZ-CD2 4.16Å; F463-L934 HydrophobicContact CZ-CG 3.92Å; Y930-L934 WeakPolarHBondContact O-CG 3.22Å; Y930-L934 PolarHBondContact O-N 3.32Å; Y930-L934 VanDerWaalsContact O-N 3.07Å; K931-L934 PolarHBondContact O-N 3.43Å; L934-A936 PolarHBondContact O-N 3.19Å; L934-A937 PolarHBondContact O-N 3.03Å |
| 935 | A | 93.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -25.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y612 K931 V932 A937 P940 F945 | Y612-A935 HydrophobicContact CE2-CB 3.7Å; Y612-A935 PolarHBondContact OH-O 2.8Å; K931-A935 WeakPolarHBondContact O-CB 3.21Å; K931-A935 PolarHBondContact O-N 3.18Å; V932-A935 PolarHBondContact O-N 3.15Å; A935-A937 PolarHBondContact O-N 2.94Å; A935-P940 HydrophobicContact CB-CB 3.93Å; A935-F945 HydrophobicContact CB-CE2 4.31Å; A935-F945 HydrophobicContact CB-CZ 3.79Å |
| 936 | A | 91.4 | Very high | 93.6 | Very high | 74 Ų | 74 | 31 Ų | 31 | 61% | 0.612 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y612 V932 L934 | Y612-A936 PolarHBondContact OH-N 2.87Å; V932-A936 PolarHBondContact O-N 3.48Å; L934-A936 PolarHBondContact O-N 3.19Å |
| 937 | A | 87.3 | Confident | 93.6 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -4.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y437 L934 A935 | Y437-A937 HydrophobicContact CD2-CB 3.89Å; Y437-A937 HydrophobicContact CE2-CB 3.39Å; L934-A937 PolarHBondContact O-N 3.03Å; A935-A937 PolarHBondContact O-N 2.94Å |
| 938 | N | 82.9 | Confident | 93.5 | Very high | 93 Ų | 93 | 31.5 Ų | 31.5 | 50% | 0.497 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -154.7 | -179.5 | 179.7 | -159.2 | 21.2 | 0 | 0 | 0 | 110.3 | ||
| 939 | D | 78.7 | Confident | 93.5 | Very high | 138 Ų | 138 | 36 Ų | 36 | 74% | 0.738 | 20% | 0.2 | S | C | * | . | trans | -63.2 | 127.8 | 174.9 | -70.1 | -28.8 | 0 | 0 | 0 | 111.3 | ||||
| 940 | P | 87.2 | Confident | 93.5 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | trans | -74.4 | 133.1 | -176.8 | 33.2 | -38.1 | 0 | 0 | 0 | 110.9 | Y612 L615 A935 | Y612-P940 HydrophobicContact CD1-CB 4.16Å; Y612-P940 HydrophobicContact CD1-CG 4.28Å; Y612-P940 HydrophobicContact CE1-CB 3.8Å; Y612-P940 HydrophobicContact CE1-CG 3.89Å; L615-P940 HydrophobicContact CD2-CB 3.99Å; L615-P940 HydrophobicContact CD2-CG 4.35Å; A935-P940 HydrophobicContact CB-CB 3.93Å | ||
| 941 | V | 91.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 37 Ų | 37 | 33% | 0.333 | 21% | 0.206 | S | C | . | . | trans | -105.5 | 118.2 | 179.7 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | E943 R944 | V941-E943 HydrophobicContact CG1-CB 4.46Å; V941-E943 WeakPolarHBondContact CG1-OE2 3.31Å; V941-E943 PolarHBondContact O-N 2.86Å; V941-R944 HydrophobicContact CB-CG 4.06Å; V941-R944 HydrophobicContact CG1-CG 4.06Å; V941-R944 WeakPolarHBondContact O-CB 3.45Å; V941-R944 PolarHBondContact O-N 3.21Å | ||
| 942 | L | 94 | Very high | 93.5 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -62.1 | -43.7 | -172.1 | -178.1 | 68.3 | 0 | 0 | 0 | 112.7 | L615 T616 R944 F945 E961 P962 K964 | L615-L942 HydrophobicContact CD1-CB 4.13Å; L615-L942 HydrophobicContact CD2-CB 4.39Å; L615-L942 HydrophobicContact CD2-CD1 4.07Å; L615-L942 HydrophobicContact CG-CB 4.4Å; L615-L942 HydrophobicContact CG-CD1 3.97Å; T616-L942 HydrophobicContact CG2-CD1 3.86Å; L942-R944 PolarHBondContact O-N 2.94Å; L942-F945 PolarHBondContact O-N 3.36Å; L942-E961 HydrophobicContact CD1-CG 4.33Å; L942-E961 HydrophobicContact CD2-CG 3.92Å; L942-E961 WeakPolarHBondContact CD2-OE1 3.21Å; L942-E961 HydrophobicContact CG-CG 3.61Å; L942-P962 HydrophobicContact CD1-CB 4.15Å; L942-P962 HydrophobicContact CD1-CG 4.36Å; L942-K964 HydrophobicContact CD2-CD 3.9Å; L942-K964 HydrophobicContact CD2-CG 3.32Å |
| 943 | E | 94.1 | Very high | 93.5 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 50% | 0.495 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -60.1 | -16.5 | -174.5 | -62.9 | 75.6 | -176.6 | 0 | 0 | 112.7 | V941 E961 | V941-E943 HydrophobicContact CG1-CB 4.46Å; V941-E943 WeakPolarHBondContact CG1-OE2 3.31Å; V941-E943 PolarHBondContact O-N 2.86Å; E943-E961 WeakPolarHBondContact CA-OE2 3.38Å; E943-E961 WeakPolarHBondContact CG-OE2 3.46Å |
| 944 | R | 93.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -80.7 | -32.5 | 177.2 | -63.5 | -172.9 | 59.7 | 176.7 | -7.2 | 112.6 | E428 L430 K931 V941 L942 | E428-R944 PolarHBondContact O-NE 2.98Å; E428-R944 PolarHBondContact O-NH2 3.49Å; L430-R944 PolarHBondContact O-NH2 2.89Å; K931-R944 VanDerWaalsContact CD-O 3.24Å; K931-R944 WeakPolarHBondContact CD-O 3.49Å; K931-R944 VanDerWaalsContact CE-O 3.31Å; K931-R944 WeakPolarHBondContact CE-O 3.35Å; K931-R944 PolarHBondContact NZ-O 3.05Å; V941-R944 HydrophobicContact CB-CG 4.06Å; V941-R944 HydrophobicContact CG1-CG 4.06Å; V941-R944 WeakPolarHBondContact O-CB 3.45Å; V941-R944 PolarHBondContact O-N 3.21Å; L942-R944 PolarHBondContact O-N 2.94Å |
| 945 | F | 97.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | trans | -75.2 | 148.9 | 179.7 | -71.2 | -74 | 0 | 0 | 0 | 110.9 | V610 Y612 L615 E928 K931 V932 A935 L942 P962 | V610-F945 HydrophobicContact CB-CD1 4.41Å; V610-F945 HydrophobicContact CG1-CB 3.78Å; V610-F945 HydrophobicContact CG1-CD1 3.85Å; V610-F945 HydrophobicContact CG1-CG 4.09Å; V610-F945 HydrophobicContact CG2-CD1 3.84Å; V610-F945 HydrophobicContact CG2-CE1 4.04Å; Y612-F945 HydrophobicContact CD2-CE1 4.32Å; Y612-F945 HydrophobicContact CD2-CE2 4.4Å; Y612-F945 AromaticContact CD2-CZ 3.74Å; Y612-F945 HydrophobicContact CD2-CZ 3.74Å; Y612-F945 HydrophobicContact CE2-CZ 4.12Å; Y612-F945 HydrophobicContact CG-CZ 4.29Å; L615-F945 HydrophobicContact CD2-CD2 4.03Å; L615-F945 HydrophobicContact CD2-CE2 3.9Å; E928-F945 WeakPolarHBondContact OE2-CA 3.38Å; K931-F945 HydrophobicContact CB-CD1 3.99Å; K931-F945 HydrophobicContact CB-CE1 3.64Å; K931-F945 HydrophobicContact CB-CZ 4.31Å; K931-F945 HydrophobicContact CD-CD1 4.33Å; V932-F945 HydrophobicContact CG2-CE1 3.91Å; A935-F945 HydrophobicContact CB-CE2 4.31Å; A935-F945 HydrophobicContact CB-CZ 3.79Å; L942-F945 PolarHBondContact O-N 3.36Å; F945-P962 HydrophobicContact CB-CG 3.65Å; F945-P962 WeakPolarHBondContact O-CD 3.44Å | ||
| 946 | K | 97.7 | Very high | 92.8 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | trans | -137.3 | 115 | 179.6 | -63.4 | -69.3 | -177.4 | 167 | 0 | 110.7 | D317 S319 E928 F959 A960 | D317-K946 IonicContact OD2-NZ 3.56Å; S319-K946 PolarHBondContact OG-NZ 3.2Å; E928-K946 PolarHBondContact OE2-N 2.95Å; K946-F959 HydrophobicContact CB-CD1 4.33Å; K946-F959 HydrophobicContact CD-CB 4.29Å; K946-A960 CarbonylContact C-O 3.57Å; K946-A960 WeakPolarHBondContact CA-O 3.45Å | ||
| 947 | N | 98.1 | Very high | 93.1 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135 | 158 | -70.9 | -8.8 | 0 | 0 | 0 | 108.3 | V608 Q609 V610 F949 F959 A960 | V608-N947 CarbonylContact O-C 3.49Å; V608-N947 VanDerWaalsContact O-CA 3.29Å; V608-N947 WeakPolarHBondContact O-CA 3.45Å; Q609-N947 WeakPolarHBondContact CA-OD1 3.23Å; V610-N947 PolarHBondContact N-OD1 2.79Å; N947-F949 HydrophobicContact CB-CE2 4.17Å; N947-F949 HydrophobicContact CB-CZ 4.42Å; N947-F959 CarbonylContact O-C 3.58Å; N947-F959 WeakPolarHBondContact O-CA 3.4Å; N947-A960 PolarHBondContact N-O 3Å; N947-A960 PolarHBondContact O-N 2.75Å |
| 948 | S | 98 | Very high | 93.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.9 | -174 | -51 | 0 | 0 | 0 | 0 | 110.4 | N607 V608 G958 F959 | N607-S948 CarbonylContact C-O 3.51Å; N607-S948 WeakPolarHBondContact CA-O 3.32Å; V608-S948 PolarHBondContact N-O 2.78Å; V608-S948 PolarHBondContact O-N 2.91Å; S948-G958 CarbonylContact C-O 3.59Å; S948-G958 WeakPolarHBondContact CA-O 3.35Å; S948-F959 VanDerWaalsContact OG-CD1 3.26Å; S948-F959 WeakPolarHBondContact OG-CD1 3.08Å; S948-F959 WeakPolarHBondContact OG-CE1 3.19Å |
| 949 | F | 97.8 | Very high | 94.2 | Very high | 100 Ų | 100 | 37.5 Ų | 37.5 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 119.6 | 175.7 | -54.2 | -86.3 | 0 | 0 | 0 | 108.1 | N607 N947 Y956 G958 A960 | N607-F949 HydrophobicContact CB-CD1 4.07Å; N607-F949 HydrophobicContact CB-CE1 4.41Å; N947-F949 HydrophobicContact CB-CE2 4.17Å; N947-F949 HydrophobicContact CB-CZ 4.42Å; F949-Y956 HydrophobicContact CB-CE1 4.37Å; F949-G958 PolarHBondContact N-O 3.11Å; F949-G958 PolarHBondContact O-N 2.71Å; F949-A960 HydrophobicContact CE2-CB 4.46Å |
| 950 | I | 98 | Very high | 95 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.5 | -178.6 | 67.8 | 174.4 | 0 | 0 | 0 | 110.6 | K605 G606 T917 A920 V921 L924 L952 Y956 F957 | K605-I950 CarbonylContact C-O 3.54Å; K605-I950 WeakPolarHBondContact CA-O 3.1Å; G606-I950 PolarHBondContact N-O 3.39Å; G606-I950 PolarHBondContact O-N 3.16Å; T917-I950 HydrophobicContact CG2-CD1 4.47Å; A920-I950 HydrophobicContact CB-CD1 3.92Å; V921-I950 HydrophobicContact CG2-CD1 3.85Å; V921-I950 HydrophobicContact CG2-CG1 4.3Å; L924-I950 HydrophobicContact CD1-CG2 4.01Å; I950-L952 HydrophobicContact CD1-CD2 4.16Å; I950-L952 HydrophobicContact CD1-CG 4.36Å; I950-Y956 CarbonylContact C-O 3.55Å; I950-Y956 WeakPolarHBondContact CA-O 3.48Å; I950-F957 HydrophobicContact CB-CD1 4.27Å; I950-F957 HydrophobicContact CG2-CD1 3.64Å; I950-F957 HydrophobicContact CG2-CE1 4.19Å |
| 951 | N | 98.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.08 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 100.2 | 163.9 | -177.5 | -4.5 | 0 | 0 | 0 | 108.5 | P604 K605 A953 L954 P955 Y956 | P604-N951 WeakPolarHBondContact O-CA 3.32Å; K605-N951 HydrophobicContact CG-CB 4.32Å; N951-A953 PolarHBondContact O-N 2.94Å; N951-A953 VanDerWaalsContact O-N 3.1Å; N951-A953 VanDerWaalsContact OD1-CB 3.31Å; N951-A953 WeakPolarHBondContact OD1-CB 3.25Å; N951-A953 PolarHBondContact OD1-N 3.41Å; N951-L954 WeakPolarHBondContact ND2-CD1 3.44Å; N951-L954 PolarHBondContact O-N 3.3Å; N951-L954 VanDerWaalsContact O-N 3.11Å; N951-P955 CarbonylContact O-C 3.49Å; N951-P955 WeakPolarHBondContact O-CA 3.34Å; N951-Y956 PolarHBondContact N-O 2.87Å; N951-Y956 PolarHBondContact O-N 2.87Å |
| 952 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -6.9 | -177.9 | -53.5 | -174.5 | 0 | 0 | 0 | 112.8 | L402 Q405 K409 P604 A920 I950 F957 | L402-L952 HydrophobicContact CD1-CD2 4.13Å; Q405-L952 HydrophobicContact CB-CD1 4.11Å; Q405-L952 HydrophobicContact CG-CB 3.89Å; Q405-L952 HydrophobicContact CG-CD1 4.26Å; K409-L952 WeakPolarHBondContact CE-O 3.44Å; K409-L952 PolarHBondContact NZ-O 2.88Å; P604-L952 HydrophobicContact CB-CB 4.39Å; P604-L952 PolarHBondContact O-N 3.13Å; A920-L952 HydrophobicContact CB-CD1 4.43Å; I950-L952 HydrophobicContact CD1-CD2 4.16Å; I950-L952 HydrophobicContact CD1-CG 4.36Å; L952-F957 HydrophobicContact CD2-CE1 3.92Å; L952-F957 HydrophobicContact CD2-CZ 3.91Å |
| 953 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -30 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N211 F415 T416 P604 N951 | N211-A953 VanDerWaalsContact O-CB 3.29Å; N211-A953 WeakPolarHBondContact O-CB 3.35Å; F415-A953 HydrophobicContact CB-CB 4.11Å; F415-A953 HydrophobicContact CD1-CB 3.47Å; F415-A953 VanDerWaalsContact CD1-CB 3.47Å; F415-A953 HydrophobicContact CD2-CB 4.08Å; F415-A953 HydrophobicContact CE1-CB 3.89Å; F415-A953 HydrophobicContact CE2-CB 4.41Å; F415-A953 HydrophobicContact CG-CB 3.61Å; F415-A953 HydrophobicContact CZ-CB 4.32Å; T416-A953 PolarHBondContact N-O 2.96Å; P604-A953 HydrophobicContact CB-CB 3.87Å; P604-A953 HydrophobicContact CG-CB 3.73Å; N951-A953 PolarHBondContact O-N 2.94Å; N951-A953 VanDerWaalsContact O-N 3.1Å; N951-A953 VanDerWaalsContact OD1-CB 3.31Å; N951-A953 WeakPolarHBondContact OD1-CB 3.25Å; N951-A953 PolarHBondContact OD1-N 3.41Å |
| 954 | L | 89.2 | Confident | 96 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 18.5 | -173.6 | -67 | 179.6 | 0 | 0 | 0 | 114.1 | N211 N951 Y956 | N211-L954 HydrophobicContact CB-CD2 3.52Å; N211-L954 HydrophobicContact CB-CG 4.47Å; N951-L954 WeakPolarHBondContact ND2-CD1 3.44Å; N951-L954 PolarHBondContact O-N 3.3Å; N951-L954 VanDerWaalsContact O-N 3.11Å; L954-Y956 PolarHBondContact O-N 3.45Å |
| 955 | P | 82.1 | Confident | 96.2 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | -15.5 | 76.3 | -120.2 | 30.1 | -42.4 | 0 | 0 | 0 | 113.2 | L314 T416 V418 N951 F957 | L314-P955 HydrophobicContact CD2-CB 3.67Å; L314-P955 HydrophobicContact CD2-CG 3.81Å; L314-P955 VanDerWaalsContact CD2-O 3.28Å; L314-P955 WeakPolarHBondContact CD2-O 3.47Å; T416-P955 WeakPolarHBondContact O-CD 3.35Å; V418-P955 HydrophobicContact CG2-CB 3.72Å; V418-P955 HydrophobicContact CG2-CG 3.99Å; N951-P955 CarbonylContact O-C 3.49Å; N951-P955 WeakPolarHBondContact O-CA 3.34Å; P955-F957 HydrophobicContact CB-CE2 4.05Å | |
| 956 | Y | 96.9 | Very high | 96.1 | Very high | 109 Ų | 109 | 38.9 Ų | 38.9 | 43% | 0.427 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 137.5 | 177.8 | 169.6 | -97.6 | 0 | 0 | 0 | 110.7 | F318 F949 I950 N951 L954 | F318-Y956 HydrophobicContact CE2-CE2 4.25Å; F949-Y956 HydrophobicContact CB-CE1 4.37Å; I950-Y956 CarbonylContact C-O 3.55Å; I950-Y956 WeakPolarHBondContact CA-O 3.48Å; N951-Y956 PolarHBondContact N-O 2.87Å; N951-Y956 PolarHBondContact O-N 2.87Å; L954-Y956 PolarHBondContact O-N 3.45Å |
| 957 | F | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.8 | 174.1 | -57.1 | -92.7 | 0 | 0 | 0 | 108.8 | L314 S316 F318 F398 L402 F422 I950 L952 P955 F959 | L314-F957 HydrophobicContact CD2-CD2 4.12Å; L314-F957 HydrophobicContact CD2-CE2 3.84Å; S316-F957 WeakPolarHBondContact O-CB 3.48Å; F318-F957 WeakPolarHBondContact CE2-O 3.04Å; F398-F957 HydrophobicContact CE2-CD1 4.27Å; F398-F957 AromaticContact CE2-CE1 3.92Å; F398-F957 HydrophobicContact CE2-CE1 3.92Å; F398-F957 AromaticContact CZ-CD1 3.89Å; F398-F957 HydrophobicContact CZ-CD1 3.89Å; F398-F957 AromaticContact CZ-CE1 3.69Å; F398-F957 HydrophobicContact CZ-CE1 3.69Å; L402-F957 HydrophobicContact CD1-CZ 3.73Å; L402-F957 HydrophobicContact CD2-CE1 4.34Å; L402-F957 HydrophobicContact CD2-CZ 3.76Å; L402-F957 HydrophobicContact CG-CZ 4.33Å; F422-F957 HydrophobicContact CD2-CD2 4.21Å; F422-F957 AromaticContact CD2-CE2 3.96Å; F422-F957 HydrophobicContact CD2-CE2 3.96Å; F422-F957 HydrophobicContact CE2-CD1 4.18Å; F422-F957 AromaticContact CE2-CD2 3.44Å; F422-F957 HydrophobicContact CE2-CD2 3.44Å; F422-F957 VanDerWaalsContact CE2-CD2 3.44Å; F422-F957 HydrophobicContact CE2-CE1 4.19Å; F422-F957 AromaticContact CE2-CE2 3.44Å; F422-F957 HydrophobicContact CE2-CE2 3.44Å; F422-F957 VanDerWaalsContact CE2-CE2 3.44Å; F422-F957 AromaticContact CE2-CG 3.83Å; F422-F957 HydrophobicContact CE2-CG 3.83Å; F422-F957 AromaticContact CE2-CZ 3.83Å; F422-F957 HydrophobicContact CE2-CZ 3.83Å; F422-F957 HydrophobicContact CZ-CD1 4.12Å; F422-F957 HydrophobicContact CZ-CD2 4.2Å; F422-F957 HydrophobicContact CZ-CE1 4.02Å; F422-F957 HydrophobicContact CZ-CE2 4.09Å; F422-F957 HydrophobicContact CZ-CG 4.22Å; F422-F957 AromaticContact CZ-CZ 4Å; F422-F957 HydrophobicContact CZ-CZ 4Å; I950-F957 HydrophobicContact CB-CD1 4.27Å; I950-F957 HydrophobicContact CG2-CD1 3.64Å; I950-F957 HydrophobicContact CG2-CE1 4.19Å; L952-F957 HydrophobicContact CD2-CE1 3.92Å; L952-F957 HydrophobicContact CD2-CZ 3.91Å; P955-F957 HydrophobicContact CB-CE2 4.05Å; F957-F959 HydrophobicContact CB-CE2 4.14Å |
| 958 | G | 96 | Very high | 95.9 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S948 F949 | S948-G958 CarbonylContact C-O 3.59Å; S948-G958 WeakPolarHBondContact CA-O 3.35Å; F949-G958 PolarHBondContact N-O 3.11Å; F949-G958 PolarHBondContact O-N 2.71Å |
| 959 | F | 97.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.8 | 174.8 | -63.4 | -88 | 0 | 0 | 0 | 108.7 | S316 D317 F424 L924 K946 N947 S948 F957 | S316-F959 WeakPolarHBondContact O-CD2 3.46Å; S316-F959 WeakPolarHBondContact O-CE2 3.26Å; D317-F959 HydrophobicContact CB-CD2 3.81Å; D317-F959 HydrophobicContact CB-CG 4.49Å; F424-F959 HydrophobicContact CD2-CZ 4.4Å; F424-F959 HydrophobicContact CE2-CE1 4.23Å; F424-F959 HydrophobicContact CE2-CE2 4.06Å; F424-F959 AromaticContact CE2-CZ 3.62Å; F424-F959 HydrophobicContact CE2-CZ 3.62Å; F424-F959 HydrophobicContact CZ-CZ 4.44Å; L924-F959 HydrophobicContact CD1-CE1 4.3Å; L924-F959 HydrophobicContact CD1-CZ 4.45Å; L924-F959 HydrophobicContact CD2-CE1 3.92Å; L924-F959 HydrophobicContact CD2-CZ 4.11Å; K946-F959 HydrophobicContact CB-CD1 4.33Å; K946-F959 HydrophobicContact CD-CB 4.29Å; N947-F959 CarbonylContact O-C 3.58Å; N947-F959 WeakPolarHBondContact O-CA 3.4Å; S948-F959 VanDerWaalsContact OG-CD1 3.26Å; S948-F959 WeakPolarHBondContact OG-CD1 3.08Å; S948-F959 WeakPolarHBondContact OG-CE1 3.19Å; F957-F959 HydrophobicContact CB-CE2 4.14Å |
| 960 | A | 96.1 | Very high | 95.5 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | K946 N947 F949 | K946-A960 CarbonylContact C-O 3.57Å; K946-A960 WeakPolarHBondContact CA-O 3.45Å; N947-A960 PolarHBondContact N-O 3Å; N947-A960 PolarHBondContact O-N 2.75Å; F949-A960 HydrophobicContact CE2-CB 4.46Å |
| 961 | E | 96.5 | Very high | 95.2 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 138.7 | 165.9 | -174.9 | 177.8 | 112.3 | 0 | 0 | 109.5 | L942 E943 | L942-E961 HydrophobicContact CD1-CG 4.33Å; L942-E961 HydrophobicContact CD2-CG 3.92Å; L942-E961 WeakPolarHBondContact CD2-OE1 3.21Å; L942-E961 HydrophobicContact CG-CG 3.61Å; E943-E961 WeakPolarHBondContact CA-OE2 3.38Å; E943-E961 WeakPolarHBondContact CG-OE2 3.46Å |
| 962 | P | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 146.7 | 172.8 | -19.8 | 30.7 | 0 | 0 | 0 | 111.5 | V610 T616 L942 F945 | V610-P962 HydrophobicContact CG1-CB 4.48Å; V610-P962 HydrophobicContact CG1-CG 3.54Å; T616-P962 HydrophobicContact CG2-CB 3.7Å; T616-P962 HydrophobicContact CG2-CG 4.32Å; L942-P962 HydrophobicContact CD1-CB 4.15Å; L942-P962 HydrophobicContact CD1-CG 4.36Å; F945-P962 HydrophobicContact CB-CG 3.65Å; F945-P962 WeakPolarHBondContact O-CD 3.44Å |
| 963 | V | 96.8 | Very high | 94.7 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 136.9 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | T616 E617 | T616-V963 CarbonylContact C-O 3.52Å; T616-V963 VanDerWaalsContact CA-O 3.25Å; T616-V963 WeakPolarHBondContact CA-O 3.4Å; E617-V963 HydrophobicContact CG-CB 4.01Å; E617-V963 PolarHBondContact N-O 3.02Å |
| 964 | K | 97.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 67 Ų | 67 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | B | Isolated β-bridge | trans | -64.6 | 147.2 | 175 | -73.9 | -177.1 | -176 | -179.6 | 0 | 111.3 | L615 L942 A966 | L615-K964 WeakPolarHBondContact O-CA 3.39Å; L942-K964 HydrophobicContact CD2-CD 3.9Å; L942-K964 HydrophobicContact CD2-CG 3.32Å; K964-A966 PolarHBondContact O-N 3.38Å |
| 965 | A | 96.7 | Very high | 95 | Very high | 8 Ų | 8 | 64 Ų | 64 | 7% | 0.066 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 129.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | L615 T616 V967 T976 L977 | L615-A965 PolarHBondContact O-N 3.14Å; T616-A965 WeakPolarHBondContact O-CB 3.48Å; A965-V967 PolarHBondContact O-N 2.89Å; A965-T976 HydrophobicContact CB-CG2 4.04Å; A965-L977 HydrophobicContact CB-CD2 4.47Å |
| 966 | A | 96.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 124.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K964 | K964-A966 PolarHBondContact O-N 3.38Š|
| 967 | V | 96.6 | Very high | 95.6 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | trans | -90.1 | 112.9 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | A965 R974 W975 T976 | A965-V967 PolarHBondContact O-N 2.89Å; V967-R974 HydrophobicContact CG1-CB 3.93Å; V967-R974 HydrophobicContact CG1-CG 4.49Å; V967-W975 CarbonylContact C-O 3.55Å; V967-W975 WeakPolarHBondContact CA-O 3.39Å; V967-T976 HydrophobicContact CG2-CG2 3.96Å | ||
| 968 | K | 95.3 | Very high | 95.6 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 167.6 | 172.3 | -63.6 | 179 | 178.1 | -171 | 0 | 110.1 | R974 W975 E1066 | K968-R974 WeakPolarHBondContact O-CA 3.28Å; K968-W975 HydrophobicContact CB-CD2 4.17Å; K968-W975 HydrophobicContact CB-CG 4.44Å; K968-W975 HydrophobicContact CB-CZ2 3.91Å; K968-W975 HydrophobicContact CD-CH2 3.82Å; K968-W975 HydrophobicContact CD-CZ2 3.53Å; K968-W975 HydrophobicContact CG-CZ2 4.35Å; K968-W975 PolarHBondContact N-O 3.38Å; K968-W975 PolarHBondContact O-N 3.26Å; K968-E1066 VanDerWaalsContact CD-OE2 3.25Å; K968-E1066 WeakPolarHBondContact CD-OE2 3.44Å; K968-E1066 WeakPolarHBondContact CE-OE2 3.35Å; K968-E1066 IonicContact NZ-OE1 2.78Å; K968-E1066 IonicContact NZ-OE2 2.85Å; K968-E1066 PolarHBondContact NZ-OE2 3.45Å |
| 969 | K | 94.4 | Very high | 95.7 | Very high | 125 Ų | 125 | 63.4 Ų | 63.4 | 54% | 0.543 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 144.9 | -180 | -65.2 | -170.1 | -178 | -172.8 | 0 | 112.1 | T973 R974 | K969-T973 VanDerWaalsContact CA-O 3.3Å; K969-T973 WeakPolarHBondContact CA-O 3.45Å; K969-R974 HydrophobicContact CD-CG 4.32Å; K969-R974 HydrophobicContact CG-CG 4.14Å |
| 970 | Y | 93.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126 | 157.4 | 63.7 | -87.5 | 0 | 0 | 0 | 106.9 | D972 T973 W975 F981 H1000 L1002 V1067 P1068 | Y970-D972 PolarHBondContact O-N 3.5Å; Y970-T973 HydrophobicContact CE1-CG2 3.79Å; Y970-T973 HydrophobicContact CE2-CG2 4.28Å; Y970-T973 PolarHBondContact N-O 2.76Å; Y970-T973 PolarHBondContact O-N 3.47Å; Y970-T973 WeakPolarHBondContact OH-CG2 3.35Å; Y970-W975 AromaticContact CD1-CD1 3.68Å; Y970-W975 AromaticContact CD1-NE1 3.91Å; Y970-W975 AromaticContact CE1-CD1 3.95Å; Y970-F981 HydrophobicContact CE1-CZ 4.26Å; Y970-F981 WeakPolarHBondContact OH-CE1 3.35Å; Y970-H1000 HydrophobicContact CE2-CB 4.38Å; Y970-L1002 HydrophobicContact CD2-CD1 3.99Å; Y970-L1002 HydrophobicContact CD2-CD2 4.07Å; Y970-L1002 HydrophobicContact CD2-CG 4.23Å; Y970-L1002 HydrophobicContact CE2-CD1 3.9Å; Y970-L1002 HydrophobicContact CE2-CG 4.43Å; Y970-L1002 HydrophobicContact CG-CD2 4.49Å; Y970-V1067 HydrophobicContact CD1-CG1 4.16Å; Y970-V1067 HydrophobicContact CG-CG1 4.26Å; Y970-P1068 HydrophobicContact CE1-CG 4.48Å |
| 971 | Y | 91.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | -127.4 | -165.2 | -50.8 | -73 | 0 | 0 | 0 | 111.8 | Q1001 L1002 D1059 E1060 | Y971-Q1001 HydrophobicContact CE2-CB 3.86Å; Y971-Q1001 WeakPolarHBondContact CE2-O 3.44Å; Y971-Q1001 PolarHBondContact OH-O 3.37Å; Y971-L1002 HydrophobicContact CE2-CD2 4.27Å; Y971-D1059 HydrophobicContact CE1-CB 3.96Å; Y971-D1059 VanDerWaalsContact OH-CA 3.26Å; Y971-D1059 WeakPolarHBondContact OH-CA 3.27Å; Y971-D1059 WeakPolarHBondContact OH-CB 3.43Å; Y971-E1060 HydrophobicContact CE1-CG 4.12Å; Y971-E1060 PolarHBondContact OH-N 2.93Å |
| 972 | D | 91 | Very high | 95.5 | Very high | 158 Ų | 158 | 62 Ų | 62 | 85% | 0.845 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -6.3 | 176.7 | -68.6 | -42.1 | 0 | 0 | 0 | 113.9 | Y970 R974 | Y970-D972 PolarHBondContact O-N 3.5Å; D972-R974 PolarHBondContact O-N 3.01Å |
| 973 | T | 93.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.2 | -177.7 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | K969 Y970 | K969-T973 VanDerWaalsContact CA-O 3.3Å; K969-T973 WeakPolarHBondContact CA-O 3.45Å; Y970-T973 HydrophobicContact CE1-CG2 3.79Å; Y970-T973 HydrophobicContact CE2-CG2 4.28Å; Y970-T973 PolarHBondContact N-O 2.76Å; Y970-T973 PolarHBondContact O-N 3.47Å; Y970-T973 WeakPolarHBondContact OH-CG2 3.35Å |
| 974 | R | 95.4 | Very high | 95 | Very high | 164 Ų | 164 | 65.4 Ų | 65.4 | 62% | 0.619 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.3 | 174.7 | -53.9 | -174.9 | 79.4 | 175.7 | 2.1 | 109.5 | V967 K968 K969 D972 | V967-R974 HydrophobicContact CG1-CB 3.93Å; V967-R974 HydrophobicContact CG1-CG 4.49Å; K968-R974 WeakPolarHBondContact O-CA 3.28Å; K969-R974 HydrophobicContact CD-CG 4.32Å; K969-R974 HydrophobicContact CG-CG 4.14Å; D972-R974 PolarHBondContact O-N 3.01Å |
| 975 | W | 96.5 | Very high | 94.1 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 162.3 | 178.6 | 73.6 | -85 | 0 | 0 | 0 | 111.7 | V967 K968 Y970 D979 E1066 V1067 P1068 | V967-W975 CarbonylContact C-O 3.55Å; V967-W975 WeakPolarHBondContact CA-O 3.39Å; K968-W975 HydrophobicContact CB-CD2 4.17Å; K968-W975 HydrophobicContact CB-CG 4.44Å; K968-W975 HydrophobicContact CB-CZ2 3.91Å; K968-W975 HydrophobicContact CD-CH2 3.82Å; K968-W975 HydrophobicContact CD-CZ2 3.53Å; K968-W975 HydrophobicContact CG-CZ2 4.35Å; K968-W975 PolarHBondContact N-O 3.38Å; K968-W975 PolarHBondContact O-N 3.26Å; Y970-W975 AromaticContact CD1-CD1 3.68Å; Y970-W975 AromaticContact CD1-NE1 3.91Å; Y970-W975 AromaticContact CE1-CD1 3.95Å; W975-D979 VanDerWaalsContact CA-OD2 3.29Å; W975-D979 WeakPolarHBondContact CA-OD2 3.22Å; W975-D979 HydrophobicContact CB-CB 4Å; W975-E1066 HydrophobicContact CZ2-CB 4.07Å; W975-E1066 PolarHBondContact NE1-O 3.04Å; W975-V1067 WeakPolarHBondContact CH2-O 3.22Å; W975-V1067 VanDerWaalsContact CZ2-C 3.43Å; W975-P1068 HydrophobicContact CB-CG 3.88Å; W975-P1068 HydrophobicContact CD2-CB 4.45Å; W975-P1068 HydrophobicContact CD2-CG 3.57Å; W975-P1068 HydrophobicContact CE3-CB 4.02Å; W975-P1068 HydrophobicContact CE3-CG 3.59Å; W975-P1068 HydrophobicContact CG-CG 3.7Å; W975-P1068 HydrophobicContact CZ3-CB 4.36Å; W975-P1068 HydrophobicContact CZ3-CG 4.32Å |
| 976 | T | 96.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | trans | -135.4 | 174.6 | -179 | 64.6 | 0 | 0 | 0 | 0 | 109.8 | A965 V967 W978 D979 | A965-T976 HydrophobicContact CB-CG2 4.04Å; V967-T976 HydrophobicContact CG2-CG2 3.96Å; T976-W978 PolarHBondContact O-N 3.09Å; T976-W978 PolarHBondContact OG1-N 2.84Å; T976-D979 PolarHBondContact N-OD2 2.89Å; T976-D979 PolarHBondContact O-N 3.47Å; T976-D979 PolarHBondContact OG1-OD2 3.2Å | ||
| 977 | L | 96.2 | Very high | 93.3 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.9 | 176.1 | 76.8 | 93.2 | 0 | 0 | 0 | 114.6 | V590 A965 | V590-L977 HydrophobicContact CB-CD1 4.31Å; V590-L977 HydrophobicContact CG1-CD1 3.61Å; V590-L977 HydrophobicContact CG2-CD1 3.66Å; A965-L977 HydrophobicContact CB-CD2 4.47Å |
| 978 | W | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -14.7 | -179.4 | -60.6 | 104.8 | 0 | 0 | 0 | 114.2 | V590 R593 V611 P613 H614 T616 T976 | V590-W978 HydrophobicContact CB-CZ3 4.25Å; V590-W978 HydrophobicContact CG1-CE3 4.41Å; V590-W978 HydrophobicContact CG2-CH2 3.97Å; V590-W978 HydrophobicContact CG2-CZ2 4.45Å; V590-W978 HydrophobicContact CG2-CZ3 4.06Å; R593-W978 PolarHBondContact NE-O 2.9Å; V611-W978 HydrophobicContact CG1-CH2 3.7Å; V611-W978 HydrophobicContact CG1-CZ2 3.63Å; P613-W978 HydrophobicContact CB-CD2 4.34Å; P613-W978 HydrophobicContact CB-CE3 3.93Å; P613-W978 HydrophobicContact CB-CH2 4.37Å; P613-W978 HydrophobicContact CB-CZ3 3.91Å; P613-W978 HydrophobicContact CG-CE3 4.44Å; P613-W978 HydrophobicContact CG-CH2 4.19Å; P613-W978 HydrophobicContact CG-CZ3 3.92Å; H614-W978 PolarHBondContact CE1-O 3.32Å; H614-W978 WeakPolarHBondContact ND1-CB 3.43Å; T616-W978 PolarHBondContact O-NE1 3.28Å; T976-W978 PolarHBondContact O-N 3.09Å; T976-W978 PolarHBondContact OG1-N 2.84Å |
| 979 | D | 97.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | trans | -85.7 | 149.2 | 179.5 | -59.7 | -54.6 | 0 | 0 | 0 | 110.2 | H614 W975 T976 P1068 | H614-D979 IonicContact CE1-OD1 3.65Å; H614-D979 IonicContact ND1-OD1 3.62Å; W975-D979 VanDerWaalsContact CA-OD2 3.29Å; W975-D979 WeakPolarHBondContact CA-OD2 3.22Å; W975-D979 HydrophobicContact CB-CB 4Å; T976-D979 PolarHBondContact N-OD2 2.89Å; T976-D979 PolarHBondContact O-N 3.47Å; T976-D979 PolarHBondContact OG1-OD2 3.2Å; D979-P1068 HydrophobicContact CB-CG 4.48Å | ||
| 980 | R | 96.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 154.1 | -179.4 | 48.2 | 163 | 167.9 | -104.3 | 5.9 | 109.9 | Y591 R593 E982 Y1069 | Y591-R980 PolarHBondContact O-NH1 3.39Å; Y591-R980 PolarHBondContact O-NH2 3.46Å; R593-R980 VanDerWaalsContact CZ-CZ 3.47Å; R980-E982 HydrophobicContact CG-CG 4.32Å; R980-E982 IonicContact CZ-OE1 2.7Å; R980-E982 IonicContact NE-OE1 3.26Å; R980-E982 PolarHBondContact NE-OE1 3.33Å; R980-E982 IonicContact NH2-OE1 3.76Å; R980-Y1069 CarbonylContact C-O 3.38Å; R980-Y1069 VanDerWaalsContact CA-O 3.31Å; R980-Y1069 WeakPolarHBondContact CA-O 3.41Å; R980-Y1069 HydrophobicContact CB-CD1 4.31Å; R980-Y1069 HydrophobicContact CB-CD2 4.08Å; R980-Y1069 HydrophobicContact CB-CE1 3.94Å; R980-Y1069 HydrophobicContact CB-CE2 3.7Å; R980-Y1069 HydrophobicContact CB-CG 4.38Å; R980-Y1069 WeakPolarHBondContact CB-O 3.33Å; R980-Y1069 HydrophobicContact CG-CE2 4.36Å; R980-Y1069 PolarHBondContact NH1-OH 3.18Å |
| 981 | F | 96.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 130.1 | 165 | -57.9 | -69 | 0 | 0 | 0 | 109.3 | Y970 M996 H1000 L1002 L1055 V1067 P1068 Y1069 V1070 K1071 | Y970-F981 HydrophobicContact CE1-CZ 4.26Å; Y970-F981 WeakPolarHBondContact OH-CE1 3.35Å; F981-M996 HydrophobicContact CD2-CE 4.02Å; F981-M996 HydrophobicContact CE1-CE 4.26Å; F981-M996 HydrophobicContact CE2-CE 3.69Å; F981-M996 HydrophobicContact CG-CE 4.42Å; F981-M996 HydrophobicContact CZ-CE 3.82Å; F981-H1000 AromaticContact CD1-CE1 3.82Å; F981-H1000 AromaticContact CD1-NE2 3.6Å; F981-H1000 AromaticContact CE1-CD2 3.87Å; F981-H1000 AromaticContact CE1-CE1 3.51Å; F981-H1000 AromaticContact CE1-CG 3.91Å; F981-H1000 AromaticContact CE1-ND1 3.68Å; F981-H1000 AromaticContact CE1-NE2 3.62Å; F981-L1002 HydrophobicContact CZ-CD1 4.29Å; F981-L1055 HydrophobicContact CD2-CD1 4.21Å; F981-L1055 HydrophobicContact CE2-CD1 4.37Å; F981-V1067 HydrophobicContact CE2-CB 4.14Å; F981-V1067 HydrophobicContact CE2-CG2 4.43Å; F981-P1068 HydrophobicContact CD2-CB 4.1Å; F981-P1068 WeakPolarHBondContact CD2-O 3.16Å; F981-P1068 HydrophobicContact CE2-CB 3.9Å; F981-P1068 HydrophobicContact CE2-CG 4Å; F981-P1068 VanDerWaalsContact CE2-O 3.3Å; F981-P1068 WeakPolarHBondContact CE2-O 3.47Å; F981-P1068 HydrophobicContact CZ-CB 4.43Å; F981-P1068 HydrophobicContact CZ-CG 4.07Å; F981-Y1069 PolarHBondContact N-O 2.62Å; F981-V1070 HydrophobicContact CB-CG2 4.18Å; F981-V1070 HydrophobicContact CD2-CG2 4.23Å; F981-V1070 CarbonylContact O-C 3.5Å; F981-V1070 WeakPolarHBondContact O-CA 3.45Å; F981-K1071 PolarHBondContact O-N 3.05Å |
| 982 | E | 94.5 | Very high | 93.6 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.8 | 176.3 | -68 | -171.1 | -170.3 | 0 | 0 | 108.8 | R593 R980 Y1073 | R593-E982 IonicContact CZ-OE1 3.03Å; R593-E982 IonicContact NH1-OE1 2.7Å; R593-E982 PolarHBondContact NH1-OE1 3.46Å; R593-E982 VanDerWaalsContact NH1-OE1 3.09Å; R593-E982 IonicContact NH2-OE1 3.06Å; R980-E982 HydrophobicContact CG-CG 4.32Å; R980-E982 IonicContact CZ-OE1 2.7Å; R980-E982 IonicContact NE-OE1 3.26Å; R980-E982 PolarHBondContact NE-OE1 3.33Å; R980-E982 IonicContact NH2-OE1 3.76Å; E982-Y1073 HydrophobicContact CB-CE2 4.21Å; E982-Y1073 HydrophobicContact CG-CE2 4.38Å |
| 983 | I | 93.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.6 | -175.4 | -63 | -174.8 | 0 | 0 | 0 | 108.8 | I987 L992 Y995 V1070 K1071 Y1072 Y1073 | I983-I987 HydrophobicContact CG2-CD1 3.57Å; I983-I987 HydrophobicContact CG2-CG1 4.24Å; I983-L992 HydrophobicContact CD1-CD1 3.42Å; I983-L992 VanDerWaalsContact CD1-CD1 3.42Å; I983-Y995 HydrophobicContact CD1-CD1 3.83Å; I983-Y995 HydrophobicContact CD1-CE1 3.97Å; I983-Y995 HydrophobicContact CG1-CD1 4.43Å; I983-Y995 HydrophobicContact CG1-CE1 4.16Å; I983-V1070 HydrophobicContact CB-CG1 4.15Å; I983-V1070 HydrophobicContact CD1-CG1 3.7Å; I983-V1070 HydrophobicContact CG1-CG1 3.9Å; I983-K1071 PolarHBondContact N-O 3.42Å; I983-K1071 VanDerWaalsContact N-O 3.09Å; I983-Y1072 HydrophobicContact CB-CD2 4.44Å; I983-Y1072 HydrophobicContact CG2-CD2 4.11Å; I983-Y1072 HydrophobicContact CG2-CE2 4.37Å; I983-Y1073 WeakPolarHBondContact O-CD2 3.4Å; I983-Y1073 PolarHBondContact O-N 2.83Å |
| 984 | Q | 89.5 | Confident | 93.9 | Very high | 146 Ų | 146 | 45.5 Ų | 45.5 | 68% | 0.682 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.7 | -176.3 | -71.6 | -94.2 | -16.3 | 0 | 0 | 111 | ||
| 985 | G | 78.7 | Confident | 93.9 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 90.4 | 164.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I987 Y1072 | G985-I987 PolarHBondContact O-N 3.17Å; G985-Y1072 VanDerWaalsContact O-CZ 3.28Å; G985-Y1072 PolarHBondContact O-OH 2.93Å; G985-Y1072 VanDerWaalsContact O-OH 3.08Å |
| 986 | D | 82.1 | Confident | 93.8 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 21% | 0.214 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -82.1 | 62.6 | -173.9 | -156.8 | 20.5 | 0 | 0 | 0 | 112.3 | K1031 S1033 Y1072 P1075 | D986-K1031 HydrophobicContact CB-CD 4.17Å; D986-K1031 WeakPolarHBondContact OD2-CD 3.19Å; D986-K1031 WeakPolarHBondContact OD2-CE 3.34Å; D986-K1031 IonicContact OD2-NZ 3.79Å; D986-K1031 PolarHBondContact OD2-NZ 3.49Å; D986-S1033 WeakPolarHBondContact OD1-CB 3.29Å; D986-S1033 PolarHBondContact OD1-OG 3.11Å; D986-Y1072 VanDerWaalsContact CA-OH 3.25Å; D986-Y1072 WeakPolarHBondContact CA-OH 3.45Å; D986-Y1072 PolarHBondContact OD1-OH 2.63Å; D986-P1075 HydrophobicContact CB-CB 4.13Å; D986-P1075 HydrophobicContact CB-CG 3.71Å |
| 987 | I | 93.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | trans | -75.5 | 156.8 | -178.1 | 64.7 | 165.5 | 0 | 0 | 0 | 112 | I983 G985 Q991 L992 I1032 Y1072 | I983-I987 HydrophobicContact CG2-CD1 3.57Å; I983-I987 HydrophobicContact CG2-CG1 4.24Å; G985-I987 PolarHBondContact O-N 3.17Å; I987-Q991 HydrophobicContact CB-CB 3.97Å; I987-Q991 HydrophobicContact CD1-CB 4.37Å; I987-L992 HydrophobicContact CD1-CB 3.96Å; I987-L992 HydrophobicContact CD1-CD1 4.1Å; I987-I1032 PolarHBondContact O-N 3.45Å; I987-Y1072 HydrophobicContact CD1-CE2 4.37Å; I987-Y1072 HydrophobicContact CG1-CE2 3.64Å; I987-Y1072 PolarHBondContact N-OH 3.26Å; I987-Y1072 PolarHBondContact O-OH 2.94Å | ||
| 988 | T | 95.5 | Very high | 93.7 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -75.9 | 159 | 173 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | Q990 Q991 L992 M1030 K1031 | T988-Q990 PolarHBondContact O-N 2.99Å; T988-Q991 PolarHBondContact O-N 3.41Å; T988-Q991 VanDerWaalsContact O-N 3.13Å; T988-Q991 WeakPolarHBondContact OG1-CB 3.44Å; T988-Q991 VanDerWaalsContact OG1-CG 3.26Å; T988-Q991 WeakPolarHBondContact OG1-CG 3.45Å; T988-Q991 PolarHBondContact OG1-N 3.24Å; T988-Q991 PolarHBondContact OG1-OE1 2.96Å; T988-L992 PolarHBondContact O-N 2.9Å; T988-M1030 VanDerWaalsContact CA-O 3.28Å; T988-M1030 WeakPolarHBondContact CA-O 3.47Å; T988-K1031 HydrophobicContact CG2-CG 4.5Å |
| 989 | L | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -38.7 | 172.4 | 176.4 | 66.4 | 0 | 0 | 0 | 111.6 | Q991 L992 V993 L1007 F1015 R1027 M1028 M1030 I1032 L1035 | L989-Q991 PolarHBondContact O-N 3.09Å; L989-L992 HydrophobicContact CD1-CD2 4.27Å; L989-L992 WeakPolarHBondContact O-CB 3.28Å; L989-L992 PolarHBondContact O-N 3.41Å; L989-V993 HydrophobicContact CD1-CG2 4.33Å; L989-V993 VanDerWaalsContact O-CG2 3.31Å; L989-V993 WeakPolarHBondContact O-CG2 3.48Å; L989-V993 PolarHBondContact O-N 2.96Å; L989-L1007 HydrophobicContact CD1-CD2 3.55Å; L989-F1015 HydrophobicContact CD1-CB 4.22Å; L989-F1015 HydrophobicContact CD2-CB 3.73Å; L989-F1015 HydrophobicContact CD2-CD2 3.87Å; L989-F1015 HydrophobicContact CD2-CG 3.94Å; L989-R1027 WeakPolarHBondContact CB-O 3.48Å; L989-R1027 HydrophobicContact CD2-CB 4.08Å; L989-M1028 HydrophobicContact CB-SD 4.42Å; L989-M1028 HydrophobicContact CD2-SD 3.8Å; L989-M1028 HydrophobicContact CG-SD 3.73Å; L989-M1030 PolarHBondContact N-O 3.32Å; L989-I1032 HydrophobicContact CB-CD1 4.08Å; L989-I1032 HydrophobicContact CD1-CD1 3.92Å; L989-L1035 HydrophobicContact CB-CD2 4.27Å; L989-L1035 HydrophobicContact CD1-CD2 4.48Å; L989-L1035 HydrophobicContact CD2-CD2 4Å; L989-L1035 HydrophobicContact CG-CD2 4.48Å |
| 990 | Q | 95.2 | Very high | 93.4 | Very high | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 175.3 | -172.1 | 62.5 | 62.5 | 0 | 0 | 111.5 | T988 L992 V993 D994 M1028 | T988-Q990 PolarHBondContact O-N 2.99Å; Q990-L992 VanDerWaalsContact C-N 3.3Å; Q990-L992 PolarHBondContact O-N 3.32Å; Q990-V993 PolarHBondContact O-N 3.11Å; Q990-D994 PolarHBondContact NE2-OD1 3.09Å; Q990-D994 PolarHBondContact NE2-OD2 2.97Å; Q990-D994 WeakPolarHBondContact O-CB 3.39Å; Q990-D994 PolarHBondContact O-N 3.3Å; Q990-M1028 HydrophobicContact CB-CB 4.29Å; Q990-M1028 WeakPolarHBondContact CB-O 3.47Å; Q990-M1028 HydrophobicContact CB-SD 4.43Å; Q990-M1028 PolarHBondContact N-O 2.85Å |
| 991 | Q | 95.7 | Very high | 93.3 | Very high | 98 Ų | 98 | 58.1 Ų | 58.1 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -35.1 | 177.5 | -74.9 | 167.8 | -44.5 | 0 | 0 | 112.8 | I987 T988 L989 Y995 | I987-Q991 HydrophobicContact CB-CB 3.97Å; I987-Q991 HydrophobicContact CD1-CB 4.37Å; T988-Q991 PolarHBondContact O-N 3.41Å; T988-Q991 VanDerWaalsContact O-N 3.13Å; T988-Q991 WeakPolarHBondContact OG1-CB 3.44Å; T988-Q991 VanDerWaalsContact OG1-CG 3.26Å; T988-Q991 WeakPolarHBondContact OG1-CG 3.45Å; T988-Q991 PolarHBondContact OG1-N 3.24Å; T988-Q991 PolarHBondContact OG1-OE1 2.96Å; L989-Q991 PolarHBondContact O-N 3.09Å; Q991-Y995 WeakPolarHBondContact O-CB 3.12Å; Q991-Y995 PolarHBondContact O-N 3.33Å |
| 992 | L | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 173.4 | -176.2 | 92.3 | 0 | 0 | 0 | 110.6 | I983 I987 T988 L989 Q990 D994 Y995 M996 L1007 I1032 | I983-L992 HydrophobicContact CD1-CD1 3.42Å; I983-L992 VanDerWaalsContact CD1-CD1 3.42Å; I987-L992 HydrophobicContact CD1-CB 3.96Å; I987-L992 HydrophobicContact CD1-CD1 4.1Å; T988-L992 PolarHBondContact O-N 2.9Å; L989-L992 HydrophobicContact CD1-CD2 4.27Å; L989-L992 WeakPolarHBondContact O-CB 3.28Å; L989-L992 PolarHBondContact O-N 3.41Å; Q990-L992 VanDerWaalsContact C-N 3.3Å; Q990-L992 PolarHBondContact O-N 3.32Å; L992-D994 VanDerWaalsContact C-N 3.35Å; L992-Y995 PolarHBondContact O-N 2.86Å; L992-M996 WeakPolarHBondContact O-CG 3.49Å; L992-M996 PolarHBondContact O-N 3.32Å; L992-L1007 HydrophobicContact CD2-CD1 3.83Å; L992-L1007 HydrophobicContact CD2-CD2 3.74Å; L992-L1007 HydrophobicContact CD2-CG 4.44Å; L992-I1032 HydrophobicContact CB-CD1 4.43Å; L992-I1032 HydrophobicContact CD2-CD1 4.1Å |
| 993 | V | 94.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 179.6 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L989 Q990 M996 K997 V1004 M1028 | L989-V993 HydrophobicContact CD1-CG2 4.33Å; L989-V993 VanDerWaalsContact O-CG2 3.31Å; L989-V993 WeakPolarHBondContact O-CG2 3.48Å; L989-V993 PolarHBondContact O-N 2.96Å; Q990-V993 PolarHBondContact O-N 3.11Å; V993-M996 PolarHBondContact O-N 3.45Å; V993-K997 WeakPolarHBondContact O-CB 3.48Å; V993-K997 PolarHBondContact O-N 3.29Å; V993-V1004 HydrophobicContact CG2-CB 4.21Å; V993-V1004 HydrophobicContact CG2-CG2 4.45Å; V993-M1028 HydrophobicContact CG2-CE 4.17Å; V993-M1028 HydrophobicContact CG2-SD 4.34Å |
| 994 | D | 95.8 | Very high | 93.4 | Very high | 58 Ų | 58 | 58 Ų | 58 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 177.6 | -63.8 | -18.1 | 0 | 0 | 0 | 110.6 | Q990 L992 M996 K997 E998 | Q990-D994 PolarHBondContact NE2-OD1 3.09Å; Q990-D994 PolarHBondContact NE2-OD2 2.97Å; Q990-D994 WeakPolarHBondContact O-CB 3.39Å; Q990-D994 PolarHBondContact O-N 3.3Å; L992-D994 VanDerWaalsContact C-N 3.35Å; D994-M996 PolarHBondContact O-N 2.87Å; D994-K997 PolarHBondContact O-N 3.31Å; D994-E998 WeakPolarHBondContact O-CB 3.34Å; D994-E998 WeakPolarHBondContact O-CG 3.5Å; D994-E998 PolarHBondContact O-N 3.31Å |
| 995 | Y | 95.3 | Very high | 93.7 | Very high | 78 Ų | 78 | 52 Ų | 52 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 175 | 175.6 | -90.6 | 0 | 0 | 0 | 112 | I983 Q991 L992 K997 N999 H1000 | I983-Y995 HydrophobicContact CD1-CD1 3.83Å; I983-Y995 HydrophobicContact CD1-CE1 3.97Å; I983-Y995 HydrophobicContact CG1-CD1 4.43Å; I983-Y995 HydrophobicContact CG1-CE1 4.16Å; Q991-Y995 WeakPolarHBondContact O-CB 3.12Å; Q991-Y995 PolarHBondContact O-N 3.33Å; L992-Y995 PolarHBondContact O-N 2.86Å; Y995-K997 VanDerWaalsContact C-N 3.28Å; Y995-K997 PolarHBondContact O-N 3.46Å; Y995-N999 HydrophobicContact CE2-CB 4.28Å; Y995-N999 WeakPolarHBondContact CE2-ND2 2.93Å; Y995-N999 VanDerWaalsContact O-CB 3.25Å; Y995-N999 WeakPolarHBondContact O-CB 3.24Å; Y995-N999 PolarHBondContact O-N 2.94Å; Y995-N999 PolarHBondContact O-OD1 3.43Å; Y995-H1000 AromaticContact CE1-CD2 3.92Å; Y995-H1000 AromaticContact CE1-NE2 3.71Å |
| 996 | M | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 178.2 | -66.3 | -53.9 | -60.2 | 0 | 0 | 111.9 | F981 L992 V993 D994 H1000 Q1001 L1002 V1004 L1055 | F981-M996 HydrophobicContact CD2-CE 4.02Å; F981-M996 HydrophobicContact CE1-CE 4.26Å; F981-M996 HydrophobicContact CE2-CE 3.69Å; F981-M996 HydrophobicContact CG-CE 4.42Å; F981-M996 HydrophobicContact CZ-CE 3.82Å; L992-M996 WeakPolarHBondContact O-CG 3.49Å; L992-M996 PolarHBondContact O-N 3.32Å; V993-M996 PolarHBondContact O-N 3.45Å; D994-M996 PolarHBondContact O-N 2.87Å; M996-H1000 HydrophobicContact CE-CB 4.49Å; M996-H1000 CarbonylContact O-C 3.55Å; M996-H1000 WeakPolarHBondContact O-CA 3.39Å; M996-H1000 WeakPolarHBondContact O-CB 3.39Å; M996-H1000 PolarHBondContact O-N 2.9Å; M996-H1000 VanDerWaalsContact O-N 3.13Å; M996-Q1001 PolarHBondContact O-N 2.98Å; M996-L1002 CarbonylContact C-O 3.47Å; M996-L1002 HydrophobicContact CE-CB 4.42Å; M996-L1002 HydrophobicContact CE-CD1 3.76Å; M996-L1002 PolarHBondContact O-N 3.27Å; M996-L1002 VanDerWaalsContact O-N 3.12Å; M996-V1004 HydrophobicContact CB-CG2 3.71Å; M996-V1004 HydrophobicContact CG-CG2 3.77Å; M996-L1055 HydrophobicContact CE-CD1 3.79Å; M996-L1055 HydrophobicContact SD-CD1 4.15Å |
| 997 | K | 94.5 | Very high | 95.2 | Very high | 108 Ų | 108 | 50.8 Ų | 50.8 | 47% | 0.47 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.2 | -47.3 | 179.2 | -169.9 | 165.4 | -172.4 | 149.8 | 0 | 112.4 | V993 D994 Y995 Q1001 L1002 E1003 | V993-K997 WeakPolarHBondContact O-CB 3.48Å; V993-K997 PolarHBondContact O-N 3.29Å; D994-K997 PolarHBondContact O-N 3.31Å; Y995-K997 VanDerWaalsContact C-N 3.28Å; Y995-K997 PolarHBondContact O-N 3.46Å; K997-Q1001 WeakPolarHBondContact O-CA 3.47Å; K997-Q1001 PolarHBondContact O-N 2.69Å; K997-Q1001 VanDerWaalsContact O-N 3.07Å; K997-L1002 WeakPolarHBondContact CA-O 3.39Å; K997-L1002 PolarHBondContact N-O 3.24Å; K997-E1003 IonicContact NZ-OE2 3.86Å; K997-E1003 PolarHBondContact NZ-OE2 2.91Å |
| 998 | E | 95.1 | Very high | 95.3 | Very high | 154 Ų | 154 | 50 Ų | 50 | 72% | 0.72 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -74.5 | -40.8 | -175.4 | -69.1 | -179.8 | 178.6 | 0 | 0 | 112.4 | D994 | D994-E998 WeakPolarHBondContact O-CB 3.34Å; D994-E998 WeakPolarHBondContact O-CG 3.5Å; D994-E998 PolarHBondContact O-N 3.31Å |
| 999 | N | 94.5 | Very high | 95.2 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -92 | -28 | -174.2 | -66.9 | 50.1 | 0 | 0 | 0 | 113.4 | Y995 | Y995-N999 HydrophobicContact CE2-CB 4.28Å; Y995-N999 WeakPolarHBondContact CE2-ND2 2.93Å; Y995-N999 VanDerWaalsContact O-CB 3.25Å; Y995-N999 WeakPolarHBondContact O-CB 3.24Å; Y995-N999 PolarHBondContact O-N 2.94Å; Y995-N999 PolarHBondContact O-OD1 3.43Å |
| 1000 | H | 94.3 | Very high | 94.9 | Very high | 41 Ų | 41 | 54.2 Ų | 54.2 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -124.3 | -3 | -173.7 | -59.3 | -72.5 | 0 | 0 | 0 | 114.1 | Y970 F981 Y995 M996 L1002 | Y970-H1000 HydrophobicContact CE2-CB 4.38Å; F981-H1000 AromaticContact CD1-CE1 3.82Å; F981-H1000 AromaticContact CD1-NE2 3.6Å; F981-H1000 AromaticContact CE1-CD2 3.87Å; F981-H1000 AromaticContact CE1-CE1 3.51Å; F981-H1000 AromaticContact CE1-CG 3.91Å; F981-H1000 AromaticContact CE1-ND1 3.68Å; F981-H1000 AromaticContact CE1-NE2 3.62Å; Y995-H1000 AromaticContact CE1-CD2 3.92Å; Y995-H1000 AromaticContact CE1-NE2 3.71Å; M996-H1000 HydrophobicContact CE-CB 4.49Å; M996-H1000 CarbonylContact O-C 3.55Å; M996-H1000 WeakPolarHBondContact O-CA 3.39Å; M996-H1000 WeakPolarHBondContact O-CB 3.39Å; M996-H1000 PolarHBondContact O-N 2.9Å; M996-H1000 VanDerWaalsContact O-N 3.13Å; H1000-L1002 HydrophobicContact CB-CB 4.39Å; H1000-L1002 HydrophobicContact CB-CD1 3.77Å; H1000-L1002 HydrophobicContact CB-CG 4.02Å; H1000-L1002 PolarHBondContact O-N 3.48Å |
| 1001 | Q | 94.8 | Very high | 94.6 | Very high | 118 Ų | 118 | 58 Ų | 58 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | trans | 57.4 | 31.7 | -176.4 | -55.9 | 172.1 | -0.6 | 0 | 0 | 112.4 | Y971 M996 K997 | Y971-Q1001 HydrophobicContact CE2-CB 3.86Å; Y971-Q1001 WeakPolarHBondContact CE2-O 3.44Å; Y971-Q1001 PolarHBondContact OH-O 3.37Å; M996-Q1001 PolarHBondContact O-N 2.98Å; K997-Q1001 WeakPolarHBondContact O-CA 3.47Å; K997-Q1001 PolarHBondContact O-N 2.69Å; K997-Q1001 VanDerWaalsContact O-N 3.07Å | ||
| 1002 | L | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -110 | 123 | -178.5 | -70.2 | 171 | 0 | 0 | 0 | 109.8 | Y970 Y971 F981 M996 K997 H1000 C1057 V1065 V1067 | Y970-L1002 HydrophobicContact CD2-CD1 3.99Å; Y970-L1002 HydrophobicContact CD2-CD2 4.07Å; Y970-L1002 HydrophobicContact CD2-CG 4.23Å; Y970-L1002 HydrophobicContact CE2-CD1 3.9Å; Y970-L1002 HydrophobicContact CE2-CG 4.43Å; Y970-L1002 HydrophobicContact CG-CD2 4.49Å; Y971-L1002 HydrophobicContact CE2-CD2 4.27Å; F981-L1002 HydrophobicContact CZ-CD1 4.29Å; M996-L1002 CarbonylContact C-O 3.47Å; M996-L1002 HydrophobicContact CE-CB 4.42Å; M996-L1002 HydrophobicContact CE-CD1 3.76Å; M996-L1002 PolarHBondContact O-N 3.27Å; M996-L1002 VanDerWaalsContact O-N 3.12Å; K997-L1002 WeakPolarHBondContact CA-O 3.39Å; K997-L1002 PolarHBondContact N-O 3.24Å; H1000-L1002 HydrophobicContact CB-CB 4.39Å; H1000-L1002 HydrophobicContact CB-CD1 3.77Å; H1000-L1002 HydrophobicContact CB-CG 4.02Å; H1000-L1002 PolarHBondContact O-N 3.48Å; L1002-C1057 HydrophobicContact CB-CB 4.05Å; L1002-C1057 HydrophobicContact CD2-CB 4.05Å; L1002-C1057 HydrophobicContact CG-CB 4.48Å; L1002-V1065 HydrophobicContact CD2-CG2 3.62Å; L1002-V1067 HydrophobicContact CD1-CB 4.36Å; L1002-V1067 HydrophobicContact CD1-CG1 3.61Å; L1002-V1067 HydrophobicContact CD2-CG1 3.96Å; L1002-V1067 HydrophobicContact CG-CG1 4.44Å | ||
| 1003 | E | 95.4 | Very high | 94.4 | Very high | 98 Ų | 98 | 57.9 Ų | 57.9 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.3 | 173.2 | -174.4 | 152 | 151.1 | 0 | 0 | 109.7 | K997 T1005 C1057 T1058 | K997-E1003 IonicContact NZ-OE2 3.86Å; K997-E1003 PolarHBondContact NZ-OE2 2.91Å; E1003-T1005 PolarHBondContact O-N 3.41Å; E1003-C1057 CarbonylContact O-C 3.49Å; E1003-C1057 WeakPolarHBondContact O-CA 3.37Å; E1003-T1058 PolarHBondContact N-O 3.45Å; E1003-T1058 PolarHBondContact O-N 3.43Å |
| 1004 | V | 95.5 | Very high | 94.3 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 116.8 | -178.3 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | V993 M996 F1015 L1055 | V993-V1004 HydrophobicContact CG2-CB 4.21Å; V993-V1004 HydrophobicContact CG2-CG2 4.45Å; M996-V1004 HydrophobicContact CB-CG2 3.71Å; M996-V1004 HydrophobicContact CG-CG2 3.77Å; V1004-F1015 HydrophobicContact CG1-CD1 4.39Å; V1004-F1015 HydrophobicContact CG1-CE1 4.44Å; V1004-F1015 WeakPolarHBondContact O-CE1 3.34Å; V1004-L1055 HydrophobicContact CG1-CD2 3.75Å; V1004-L1055 HydrophobicContact CG2-CD2 4.02Å |
| 1005 | T | 94.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -29.6 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | E1003 S1016 F1017 M1056 T1058 | E1003-T1005 PolarHBondContact O-N 3.41Å; T1005-S1016 CarbonylContact O-C 3.18Å; T1005-S1016 VanDerWaalsContact O-CA 3.25Å; T1005-S1016 WeakPolarHBondContact O-CA 3.42Å; T1005-F1017 PolarHBondContact O-N 3.47Å; T1005-M1056 PolarHBondContact N-O 3.33Å; T1005-M1056 PolarHBondContact OG1-O 2.93Å; T1005-M1056 VanDerWaalsContact OG1-O 3.05Å; T1005-T1058 HydrophobicContact CG2-CG2 3.6Å |
| 1006 | M | 95.5 | Very high | 94.2 | Very high | 38 Ų | 38 | 51 Ų | 51 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 144.9 | 174.5 | -161.2 | 173.1 | 80 | 0 | 0 | 111.3 | M1013 F1015 M1056 | M1006-M1013 HydrophobicContact CG-CG 4.12Å; M1006-M1013 HydrophobicContact CG-SD 4.18Å; M1006-M1013 HydrophobicContact SD-CG 4.27Å; M1006-M1013 HydrophobicContact SD-SD 3.84Å; M1006-F1015 CarbonylContact C-O 3.49Å; M1006-F1015 WeakPolarHBondContact CA-O 3.37Å; M1006-F1015 VanDerWaalsContact CG-O 3.32Å; M1006-F1015 WeakPolarHBondContact CG-O 3.5Å; M1006-M1056 HydrophobicContact CB-CB 3.94Å; M1006-M1056 HydrophobicContact CB-CG 4.29Å; M1006-M1056 HydrophobicContact CB-SD 4.34Å; M1006-M1056 HydrophobicContact CE-CE 3.68Å; M1006-M1056 HydrophobicContact CE-CG 4.21Å; M1006-M1056 HydrophobicContact CE-SD 3.62Å; M1006-M1056 PolarHBondContact N-O 3.07Å; M1006-M1056 VanDerWaalsContact N-O 3.16Å; M1006-M1056 PolarHBondContact O-N 3.49Å; M1006-M1056 HydrophobicContact SD-SD 4.32Å |
| 1007 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130.2 | 172.6 | -175.7 | 77.4 | 0 | 0 | 0 | 109.4 | L989 L992 L1014 F1015 I1032 L1053 E1054 L1055 | L989-L1007 HydrophobicContact CD1-CD2 3.55Å; L992-L1007 HydrophobicContact CD2-CD1 3.83Å; L992-L1007 HydrophobicContact CD2-CD2 3.74Å; L992-L1007 HydrophobicContact CD2-CG 4.44Å; L1007-L1014 HydrophobicContact CD2-CB 4.17Å; L1007-L1014 HydrophobicContact CD2-CD1 4.02Å; L1007-L1014 HydrophobicContact CG-CB 4.38Å; L1007-L1014 HydrophobicContact CG-CD1 4.28Å; L1007-L1014 WeakPolarHBondContact O-CA 2.9Å; L1007-L1014 WeakPolarHBondContact O-CB 3.29Å; L1007-L1014 PolarHBondContact O-N 3.49Å; L1007-F1015 HydrophobicContact CB-CB 4.1Å; L1007-F1015 PolarHBondContact N-O 3.44Å; L1007-F1015 PolarHBondContact O-N 3.04Å; L1007-I1032 HydrophobicContact CD2-CD1 4.01Å; L1007-L1053 HydrophobicContact CD1-CB 3.81Å; L1007-L1053 HydrophobicContact CD1-CD1 4.22Å; L1007-E1054 WeakPolarHBondContact CA-O 3.42Å; L1007-L1055 HydrophobicContact CD1-CD2 3.38Å; L1007-L1055 HydrophobicContact CD1-CG 4.14Å |
| 1008 | S | 96.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 12% | 0.119 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153 | 176.6 | 44.7 | 0 | 0 | 0 | 0 | 112.8 | T1012 L1053 E1054 | S1008-T1012 CarbonylContact C-O 3.59Å; S1008-T1012 VanDerWaalsContact CA-O 3.26Å; S1008-T1012 WeakPolarHBondContact CA-O 3.36Å; S1008-T1012 WeakPolarHBondContact CB-O 3.36Å; S1008-L1053 WeakPolarHBondContact O-CA 3.39Å; S1008-E1054 PolarHBondContact N-O 3.34Å; S1008-E1054 PolarHBondContact O-N 3.33Å |
| 1009 | Q | 93.4 | Very high | 93.5 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 108.6 | 167.1 | -173.9 | -79.6 | -35.7 | 0 | 0 | 107.4 | V1011 T1012 L1014 V1036 L1053 | Q1009-V1011 PolarHBondContact O-N 3.3Å; Q1009-T1012 PolarHBondContact N-O 3.43Å; Q1009-T1012 WeakPolarHBondContact O-CB 3.15Å; Q1009-T1012 PolarHBondContact O-N 3.17Å; Q1009-L1014 HydrophobicContact CB-CD1 3.95Å; Q1009-L1014 HydrophobicContact CB-CG 4.3Å; Q1009-V1036 HydrophobicContact CB-CG2 4.45Å; Q1009-V1036 HydrophobicContact CG-CG1 4.39Å; Q1009-L1053 HydrophobicContact CB-CD2 4.07Å; Q1009-L1053 HydrophobicContact CG-CD2 4.32Å |
| 1010 | G | 88.1 | Confident | 93.4 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | -125.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1012 | G1010-T1012 VanDerWaalsContact C-N 3.28Å; G1010-T1012 PolarHBondContact O-N 3.34Å |
| 1011 | V | 88.8 | Confident | 93.1 | Very high | 153 Ų | 153 | 53.7 Ų | 53.7 | 93% | 0.927 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.9 | 177.8 | -61.5 | 0 | 0 | 0 | 0 | 114.1 | Q1009 | Q1009-V1011 PolarHBondContact O-N 3.3Š|
| 1012 | T | 92.6 | Very high | 93 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 113.9 | -174.3 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | S1008 Q1009 G1010 L1014 I1039 | S1008-T1012 CarbonylContact C-O 3.59Å; S1008-T1012 VanDerWaalsContact CA-O 3.26Å; S1008-T1012 WeakPolarHBondContact CA-O 3.36Å; S1008-T1012 WeakPolarHBondContact CB-O 3.36Å; Q1009-T1012 PolarHBondContact N-O 3.43Å; Q1009-T1012 WeakPolarHBondContact O-CB 3.15Å; Q1009-T1012 PolarHBondContact O-N 3.17Å; G1010-T1012 VanDerWaalsContact C-N 3.28Å; G1010-T1012 PolarHBondContact O-N 3.34Å; T1012-L1014 HydrophobicContact CG2-CD2 4.19Å; T1012-L1014 PolarHBondContact O-N 3.44Å; T1012-I1039 HydrophobicContact CG2-CB 4.15Å; T1012-I1039 HydrophobicContact CG2-CG2 3.59Å |
| 1013 | M | 94.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 107 | 175.5 | -172.8 | 179.9 | 64.1 | 0 | 0 | 111.4 | M1006 F1018 R1027 | M1006-M1013 HydrophobicContact CG-CG 4.12Å; M1006-M1013 HydrophobicContact CG-SD 4.18Å; M1006-M1013 HydrophobicContact SD-CG 4.27Å; M1006-M1013 HydrophobicContact SD-SD 3.84Å; M1013-F1018 HydrophobicContact CE-CE2 3.88Å; M1013-F1018 HydrophobicContact CE-CZ 4.09Å; M1013-F1018 HydrophobicContact SD-CE2 4.1Å; M1013-F1018 HydrophobicContact SD-CZ 3.68Å; M1013-R1027 PolarHBondContact O-NH1 3.19Å |
| 1014 | L | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -39.7 | -177.9 | -57.2 | -179.2 | 0 | 0 | 0 | 111.8 | L1007 Q1009 T1012 R1027 L1035 V1036 I1039 L1053 | L1007-L1014 HydrophobicContact CD2-CB 4.17Å; L1007-L1014 HydrophobicContact CD2-CD1 4.02Å; L1007-L1014 HydrophobicContact CG-CB 4.38Å; L1007-L1014 HydrophobicContact CG-CD1 4.28Å; L1007-L1014 WeakPolarHBondContact O-CA 2.9Å; L1007-L1014 WeakPolarHBondContact O-CB 3.29Å; L1007-L1014 PolarHBondContact O-N 3.49Å; Q1009-L1014 HydrophobicContact CB-CD1 3.95Å; Q1009-L1014 HydrophobicContact CB-CG 4.3Å; T1012-L1014 HydrophobicContact CG2-CD2 4.19Å; T1012-L1014 PolarHBondContact O-N 3.44Å; L1014-R1027 VanDerWaalsContact O-CD 3.3Å; L1014-R1027 WeakPolarHBondContact O-CD 3.39Å; L1014-R1027 PolarHBondContact O-NH1 2.79Å; L1014-L1035 HydrophobicContact CB-CD2 4Å; L1014-L1035 HydrophobicContact CB-CG 4.38Å; L1014-L1035 HydrophobicContact CD2-CG 4.5Å; L1014-V1036 HydrophobicContact CD1-CG2 3.68Å; L1014-V1036 HydrophobicContact CD2-CG2 4.02Å; L1014-I1039 HydrophobicContact CD2-CB 4.35Å; L1014-L1053 HydrophobicContact CD1-CD2 3.87Å |
| 1015 | F | 94.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 64.1 Ų | 64.1 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147.6 | 179.9 | 165.7 | -96.9 | 0 | 0 | 0 | 111.3 | L989 V1004 M1006 L1007 R1024 M1028 | L989-F1015 HydrophobicContact CD1-CB 4.22Å; L989-F1015 HydrophobicContact CD2-CB 3.73Å; L989-F1015 HydrophobicContact CD2-CD2 3.87Å; L989-F1015 HydrophobicContact CD2-CG 3.94Å; V1004-F1015 HydrophobicContact CG1-CD1 4.39Å; V1004-F1015 HydrophobicContact CG1-CE1 4.44Å; V1004-F1015 WeakPolarHBondContact O-CE1 3.34Å; M1006-F1015 CarbonylContact C-O 3.49Å; M1006-F1015 WeakPolarHBondContact CA-O 3.37Å; M1006-F1015 VanDerWaalsContact CG-O 3.32Å; M1006-F1015 WeakPolarHBondContact CG-O 3.5Å; L1007-F1015 HydrophobicContact CB-CB 4.1Å; L1007-F1015 PolarHBondContact N-O 3.44Å; L1007-F1015 PolarHBondContact O-N 3.04Å; F1015-R1024 HydrophobicContact CD2-CG 4.37Å; F1015-R1024 HydrophobicContact CE2-CG 3.87Å; F1015-M1028 HydrophobicContact CD2-CE 4.16Å; F1015-M1028 HydrophobicContact CE2-CE 3.44Å; F1015-M1028 VanDerWaalsContact CE2-CE 3.44Å; F1015-M1028 HydrophobicContact CZ-CE 3.66Å |
| 1016 | S | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 157.7 | 164.8 | 81.8 | 0 | 0 | 0 | 0 | 111.8 | T1005 F1018 L1019 | T1005-S1016 CarbonylContact O-C 3.18Å; T1005-S1016 VanDerWaalsContact O-CA 3.25Å; T1005-S1016 WeakPolarHBondContact O-CA 3.42Å; S1016-F1018 VanDerWaalsContact CB-CE1 3.48Å; S1016-F1018 PolarHBondContact O-N 3.25Å; S1016-F1018 WeakPolarHBondContact OG-CD1 3.37Å; S1016-F1018 WeakPolarHBondContact OG-CD2 3.49Å; S1016-F1018 VanDerWaalsContact OG-CE1 3.29Å; S1016-F1018 WeakPolarHBondContact OG-CE1 3.35Å; S1016-F1018 WeakPolarHBondContact OG-CE2 3.18Å; S1016-F1018 VanDerWaalsContact OG-CG 3.32Å; S1016-F1018 WeakPolarHBondContact OG-CG 3.37Å; S1016-F1018 WeakPolarHBondContact OG-CZ 3.25Å; S1016-F1018 PolarHBondContact OG-N 3.29Å; S1016-L1019 WeakPolarHBondContact O-CB 3.38Å; S1016-L1019 PolarHBondContact O-N 3.42Å |
| 1017 | F | 88.7 | Confident | 92.1 | Very high | 125 Ų | 125 | 68.5 Ų | 68.5 | 55% | 0.548 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.5 | 178 | 78.5 | -91.5 | 0 | 0 | 0 | 113.7 | T1005 R1024 | T1005-F1017 PolarHBondContact O-N 3.47Å; F1017-R1024 PolarHBondContact O-NH1 3.22Å; F1017-R1024 PolarHBondContact O-NH2 3.3Å |
| 1018 | F | 90.4 | Very high | 92 | Very high | 125 Ų | 125 | 69.9 Ų | 69.9 | 55% | 0.548 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.9 | -179.8 | 54.7 | -98.3 | 0 | 0 | 0 | 113.8 | M1013 S1016 | M1013-F1018 HydrophobicContact CE-CE2 3.88Å; M1013-F1018 HydrophobicContact CE-CZ 4.09Å; M1013-F1018 HydrophobicContact SD-CE2 4.1Å; M1013-F1018 HydrophobicContact SD-CZ 3.68Å; S1016-F1018 VanDerWaalsContact CB-CE1 3.48Å; S1016-F1018 PolarHBondContact O-N 3.25Å; S1016-F1018 WeakPolarHBondContact OG-CD1 3.37Å; S1016-F1018 WeakPolarHBondContact OG-CD2 3.49Å; S1016-F1018 VanDerWaalsContact OG-CE1 3.29Å; S1016-F1018 WeakPolarHBondContact OG-CE1 3.35Å; S1016-F1018 WeakPolarHBondContact OG-CE2 3.18Å; S1016-F1018 VanDerWaalsContact OG-CG 3.32Å; S1016-F1018 WeakPolarHBondContact OG-CG 3.37Å; S1016-F1018 WeakPolarHBondContact OG-CZ 3.25Å; S1016-F1018 PolarHBondContact OG-N 3.29Å |
| 1019 | L | 90.2 | Very high | 91.9 | Very high | 22 Ų | 22 | 71.9 Ų | 71.9 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -62.8 | 149.6 | 167.9 | -74.2 | 173.8 | 0 | 0 | 0 | 111.3 | S1016 K1023 R1024 | S1016-L1019 WeakPolarHBondContact O-CB 3.38Å; S1016-L1019 PolarHBondContact O-N 3.42Å; L1019-K1023 HydrophobicContact CD2-CD 4.44Å; L1019-R1024 HydrophobicContact CB-CG 3.72Å; L1019-R1024 PolarHBondContact O-NE 3.25Å; L1019-R1024 PolarHBondContact O-NH2 2.95Å |
| 1020 | T | 92.7 | Very high | 92 | Very high | 80 Ų | 80 | 69.9 Ų | 69.9 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | trans | -58.5 | 145.5 | 176.1 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | A1022 K1023 R1024 | T1020-A1022 PolarHBondContact O-N 3.39Å; T1020-A1022 VanDerWaalsContact O-N 3.12Å; T1020-K1023 PolarHBondContact O-N 2.95Å; T1020-R1024 PolarHBondContact O-N 3.37Å | ||
| 1021 | P | 89.4 | Confident | 92.3 | Very high | 100 Ų | 100 | 71.4 Ų | 71.4 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54 | -35.8 | -178.2 | -28.1 | 35 | 0 | 0 | 0 | 113.6 | R1024 K1025 | P1021-R1024 PolarHBondContact O-N 3.18Å; P1021-K1025 WeakPolarHBondContact O-CB 3.47Å; P1021-K1025 PolarHBondContact O-N 2.97Å |
| 1022 | A | 91.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 63% | 0.628 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.2 | -50.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1020 R1024 K1025 E1026 | T1020-A1022 PolarHBondContact O-N 3.39Å; T1020-A1022 VanDerWaalsContact O-N 3.12Å; A1022-R1024 VanDerWaalsContact C-N 3.35Å; A1022-R1024 PolarHBondContact O-N 3.22Å; A1022-K1025 PolarHBondContact O-N 3.24Å; A1022-E1026 WeakPolarHBondContact O-CB 3.28Å; A1022-E1026 PolarHBondContact O-N 2.97Å |
| 1023 | K | 92 | Very high | 92.5 | Very high | 102 Ų | 102 | 63.5 Ų | 63.5 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177.9 | -78 | -173.7 | 174 | -177.4 | 0 | 112.2 | L1019 T1020 R1027 | L1019-K1023 HydrophobicContact CD2-CD 4.44Å; T1020-K1023 PolarHBondContact O-N 2.95Å; K1023-R1027 WeakPolarHBondContact O-CB 3.2Å; K1023-R1027 VanDerWaalsContact O-CG 3.25Å; K1023-R1027 WeakPolarHBondContact O-CG 3.15Å; K1023-R1027 PolarHBondContact O-N 3.21Å |
| 1024 | R | 91.1 | Very high | 92.4 | Very high | 87 Ų | 87 | 65 Ų | 65 | 33% | 0.328 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 174.9 | -80.4 | -172.4 | -81.1 | -176.4 | -12 | 111.1 | F1015 F1017 L1019 T1020 P1021 A1022 E1026 R1027 M1028 | F1015-R1024 HydrophobicContact CD2-CG 4.37Å; F1015-R1024 HydrophobicContact CE2-CG 3.87Å; F1017-R1024 PolarHBondContact O-NH1 3.22Å; F1017-R1024 PolarHBondContact O-NH2 3.3Å; L1019-R1024 HydrophobicContact CB-CG 3.72Å; L1019-R1024 PolarHBondContact O-NE 3.25Å; L1019-R1024 PolarHBondContact O-NH2 2.95Å; T1020-R1024 PolarHBondContact O-N 3.37Å; P1021-R1024 PolarHBondContact O-N 3.18Å; A1022-R1024 VanDerWaalsContact C-N 3.35Å; A1022-R1024 PolarHBondContact O-N 3.22Å; R1024-E1026 VanDerWaalsContact C-N 3.3Å; R1024-E1026 PolarHBondContact O-N 3.17Å; R1024-R1027 PolarHBondContact O-N 2.89Å; R1024-M1028 WeakPolarHBondContact O-CB 3.48Å; R1024-M1028 VanDerWaalsContact O-CG 3.24Å; R1024-M1028 WeakPolarHBondContact O-CG 3.33Å; R1024-M1028 PolarHBondContact O-N 3.3Å |
| 1025 | K | 90 | Very high | 92.4 | Very high | 177 Ų | 177 | 65 Ų | 65 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.3 | -39.3 | -179 | -168.8 | 177.1 | -178.6 | -179.2 | 0 | 112.5 | P1021 A1022 | P1021-K1025 WeakPolarHBondContact O-CB 3.47Å; P1021-K1025 PolarHBondContact O-N 2.97Å; A1022-K1025 PolarHBondContact O-N 3.24Å |
| 1026 | E | 92.6 | Very high | 92.2 | Very high | 122 Ų | 122 | 64.9 Ų | 64.9 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.1 | -56.1 | 173.7 | -179.1 | -170.4 | 169.6 | 0 | 0 | 111.3 | A1022 R1024 M1028 G1029 | A1022-E1026 WeakPolarHBondContact O-CB 3.28Å; A1022-E1026 PolarHBondContact O-N 2.97Å; R1024-E1026 VanDerWaalsContact C-N 3.3Å; R1024-E1026 PolarHBondContact O-N 3.17Å; E1026-M1028 VanDerWaalsContact C-N 3.35Å; E1026-M1028 PolarHBondContact O-N 3.49Å; E1026-G1029 PolarHBondContact O-N 2.85Å |
| 1027 | R | 94 | Very high | 92.2 | Very high | 27 Ų | 27 | 68.5 Ų | 68.5 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67 | -31.9 | -175.6 | -66.5 | -179.9 | -176.7 | -161.5 | -0.2 | 113.4 | L989 M1013 L1014 K1023 R1024 G1029 M1030 L1035 I1039 | L989-R1027 WeakPolarHBondContact CB-O 3.48Å; L989-R1027 HydrophobicContact CD2-CB 4.08Å; M1013-R1027 PolarHBondContact O-NH1 3.19Å; L1014-R1027 VanDerWaalsContact O-CD 3.3Å; L1014-R1027 WeakPolarHBondContact O-CD 3.39Å; L1014-R1027 PolarHBondContact O-NH1 2.79Å; K1023-R1027 WeakPolarHBondContact O-CB 3.2Å; K1023-R1027 VanDerWaalsContact O-CG 3.25Å; K1023-R1027 WeakPolarHBondContact O-CG 3.15Å; K1023-R1027 PolarHBondContact O-N 3.21Å; R1024-R1027 PolarHBondContact O-N 2.89Å; R1027-G1029 PolarHBondContact O-N 3.49Å; R1027-M1030 PolarHBondContact O-N 2.9Å; R1027-M1030 VanDerWaalsContact O-N 3.12Å; R1027-L1035 HydrophobicContact CB-CD1 3.83Å; R1027-L1035 HydrophobicContact CG-CD1 3.64Å; R1027-I1039 VanDerWaalsContact NH2-CD1 3.34Å |
| 1028 | M | 93.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 15% | 0.148 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.9 | -34.9 | 178.5 | -79.3 | -55.6 | -170.4 | 0 | 0 | 112.8 | L989 Q990 V993 F1015 R1024 E1026 | L989-M1028 HydrophobicContact CB-SD 4.42Å; L989-M1028 HydrophobicContact CD2-SD 3.8Å; L989-M1028 HydrophobicContact CG-SD 3.73Å; Q990-M1028 HydrophobicContact CB-CB 4.29Å; Q990-M1028 WeakPolarHBondContact CB-O 3.47Å; Q990-M1028 HydrophobicContact CB-SD 4.43Å; Q990-M1028 PolarHBondContact N-O 2.85Å; V993-M1028 HydrophobicContact CG2-CE 4.17Å; V993-M1028 HydrophobicContact CG2-SD 4.34Å; F1015-M1028 HydrophobicContact CD2-CE 4.16Å; F1015-M1028 HydrophobicContact CE2-CE 3.44Å; F1015-M1028 VanDerWaalsContact CE2-CE 3.44Å; F1015-M1028 HydrophobicContact CZ-CE 3.66Å; R1024-M1028 WeakPolarHBondContact O-CB 3.48Å; R1024-M1028 VanDerWaalsContact O-CG 3.24Å; R1024-M1028 WeakPolarHBondContact O-CG 3.33Å; R1024-M1028 PolarHBondContact O-N 3.3Å; E1026-M1028 VanDerWaalsContact C-N 3.35Å; E1026-M1028 PolarHBondContact O-N 3.49Å |
| 1029 | G | 92.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 62.8 Ų | 62.8 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -82.2 | -13.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1026 R1027 | E1026-G1029 PolarHBondContact O-N 2.85Å; R1027-G1029 PolarHBondContact O-N 3.49Å |
| 1030 | M | 95.1 | Very high | 92.4 | Very high | 19 Ų | 19 | 63.1 Ų | 63.1 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -76.2 | 144.9 | 179.9 | -62.4 | 179.8 | 77.4 | 0 | 0 | 110.4 | T988 L989 R1027 E1034 L1035 T1038 | T988-M1030 VanDerWaalsContact CA-O 3.28Å; T988-M1030 WeakPolarHBondContact CA-O 3.47Å; L989-M1030 PolarHBondContact N-O 3.32Å; R1027-M1030 PolarHBondContact O-N 2.9Å; R1027-M1030 VanDerWaalsContact O-N 3.12Å; M1030-E1034 HydrophobicContact CE-CB 4.45Å; M1030-E1034 HydrophobicContact CE-CG 3.77Å; M1030-L1035 HydrophobicContact CB-CB 4.18Å; M1030-L1035 HydrophobicContact CB-CD1 4.46Å; M1030-L1035 HydrophobicContact SD-CD1 3.78Å; M1030-T1038 HydrophobicContact CE-CG2 4.09Å; M1030-T1038 WeakPolarHBondContact CE-OG1 3.37Å |
| 1031 | K | 94.7 | Very high | 92.3 | Very high | 92 Ų | 92 | 66.3 Ų | 66.3 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -65.5 | 146.5 | 166.2 | -60 | -164.5 | -178.7 | 177 | 0 | 110 | D986 T988 S1033 E1034 L1035 | D986-K1031 HydrophobicContact CB-CD 4.17Å; D986-K1031 WeakPolarHBondContact OD2-CD 3.19Å; D986-K1031 WeakPolarHBondContact OD2-CE 3.34Å; D986-K1031 IonicContact OD2-NZ 3.79Å; D986-K1031 PolarHBondContact OD2-NZ 3.49Å; T988-K1031 HydrophobicContact CG2-CG 4.5Å; K1031-S1033 VanDerWaalsContact C-N 3.26Å; K1031-S1033 PolarHBondContact O-N 3.29Å; K1031-E1034 HydrophobicContact CB-CB 4.25Å; K1031-E1034 PolarHBondContact O-N 3.48Å; K1031-L1035 VanDerWaalsContact O-CB 3.3Å; K1031-L1035 WeakPolarHBondContact O-CB 3.33Å; K1031-L1035 PolarHBondContact O-N 2.78Å |
| 1032 | I | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.7 | -40.3 | -178.6 | -65.7 | -69.2 | 0 | 0 | 0 | 111.2 | I987 L989 L992 L1007 E1034 L1035 V1036 I1051 L1053 Y1072 | I987-I1032 PolarHBondContact O-N 3.45Å; L989-I1032 HydrophobicContact CB-CD1 4.08Å; L989-I1032 HydrophobicContact CD1-CD1 3.92Å; L992-I1032 HydrophobicContact CB-CD1 4.43Å; L992-I1032 HydrophobicContact CD2-CD1 4.1Å; L1007-I1032 HydrophobicContact CD2-CD1 4.01Å; I1032-E1034 PolarHBondContact O-N 2.95Å; I1032-L1035 PolarHBondContact O-N 3.29Å; I1032-V1036 HydrophobicContact CG2-CG2 4.33Å; I1032-V1036 WeakPolarHBondContact O-CG2 3.31Å; I1032-V1036 PolarHBondContact O-N 3.31Å; I1032-I1051 HydrophobicContact CG2-CD1 4.1Å; I1032-L1053 HydrophobicContact CG2-CD1 3.95Å; I1032-L1053 HydrophobicContact CG2-CD2 4.33Å; I1032-Y1072 HydrophobicContact CB-CD2 4.42Å; I1032-Y1072 HydrophobicContact CB-CE1 4.05Å; I1032-Y1072 HydrophobicContact CB-CE2 3.76Å; I1032-Y1072 HydrophobicContact CG1-CD2 4.43Å; I1032-Y1072 HydrophobicContact CG1-CE2 3.77Å; I1032-Y1072 HydrophobicContact CG2-CD1 4.16Å; I1032-Y1072 HydrophobicContact CG2-CD2 4.22Å; I1032-Y1072 HydrophobicContact CG2-CE1 4.01Å; I1032-Y1072 HydrophobicContact CG2-CE2 4.04Å; I1032-Y1072 HydrophobicContact CG2-CG 4.26Å |
| 1033 | S | 91.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 72 Ų | 72 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.9 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | D986 K1031 Q1037 | D986-S1033 WeakPolarHBondContact OD1-CB 3.29Å; D986-S1033 PolarHBondContact OD1-OG 3.11Å; K1031-S1033 VanDerWaalsContact C-N 3.26Å; K1031-S1033 PolarHBondContact O-N 3.29Å; S1033-Q1037 WeakPolarHBondContact O-CG 3.47Å; S1033-Q1037 PolarHBondContact O-N 2.5Å; S1033-Q1037 PolarHBondContact O-NE2 3.11Å |
| 1034 | E | 92.9 | Very high | 91.6 | Very high | 99 Ų | 99 | 68.9 Ų | 68.9 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 175.8 | -172.1 | -170.8 | 173.6 | 0 | 0 | 111.4 | M1030 K1031 I1032 V1036 Q1037 T1038 | M1030-E1034 HydrophobicContact CE-CB 4.45Å; M1030-E1034 HydrophobicContact CE-CG 3.77Å; K1031-E1034 HydrophobicContact CB-CB 4.25Å; K1031-E1034 PolarHBondContact O-N 3.48Å; I1032-E1034 PolarHBondContact O-N 2.95Å; E1034-V1036 PolarHBondContact O-N 3.47Å; E1034-Q1037 PolarHBondContact O-N 3.43Å; E1034-T1038 VanDerWaalsContact O-CB 3.3Å; E1034-T1038 WeakPolarHBondContact O-CB 3.33Å; E1034-T1038 PolarHBondContact O-N 2.92Å; E1034-T1038 PolarHBondContact O-OG1 3.31Å |
| 1035 | L | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 178.6 | -177.5 | 64.6 | 0 | 0 | 0 | 110.9 | L989 L1014 R1027 M1030 K1031 I1032 Q1037 T1038 I1039 | L989-L1035 HydrophobicContact CB-CD2 4.27Å; L989-L1035 HydrophobicContact CD1-CD2 4.48Å; L989-L1035 HydrophobicContact CD2-CD2 4Å; L989-L1035 HydrophobicContact CG-CD2 4.48Å; L1014-L1035 HydrophobicContact CB-CD2 4Å; L1014-L1035 HydrophobicContact CB-CG 4.38Å; L1014-L1035 HydrophobicContact CD2-CG 4.5Å; R1027-L1035 HydrophobicContact CB-CD1 3.83Å; R1027-L1035 HydrophobicContact CG-CD1 3.64Å; M1030-L1035 HydrophobicContact CB-CB 4.18Å; M1030-L1035 HydrophobicContact CB-CD1 4.46Å; M1030-L1035 HydrophobicContact SD-CD1 3.78Å; K1031-L1035 VanDerWaalsContact O-CB 3.3Å; K1031-L1035 WeakPolarHBondContact O-CB 3.33Å; K1031-L1035 PolarHBondContact O-N 2.78Å; I1032-L1035 PolarHBondContact O-N 3.29Å; L1035-Q1037 PolarHBondContact O-N 3.33Å; L1035-T1038 PolarHBondContact O-N 2.73Å; L1035-I1039 HydrophobicContact CD1-CD1 4.37Å; L1035-I1039 HydrophobicContact CD1-CG1 3.85Å; L1035-I1039 HydrophobicContact CG-CG1 4.4Å; L1035-I1039 VanDerWaalsContact O-CG1 3.3Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.35Å; L1035-I1039 PolarHBondContact O-N 2.68Å |
| 1036 | V | 92.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -49 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | Q1009 L1014 I1032 E1034 T1038 S1040 I1044 I1051 | Q1009-V1036 HydrophobicContact CB-CG2 4.45Å; Q1009-V1036 HydrophobicContact CG-CG1 4.39Å; L1014-V1036 HydrophobicContact CD1-CG2 3.68Å; L1014-V1036 HydrophobicContact CD2-CG2 4.02Å; I1032-V1036 HydrophobicContact CG2-CG2 4.33Å; I1032-V1036 WeakPolarHBondContact O-CG2 3.31Å; I1032-V1036 PolarHBondContact O-N 3.31Å; E1034-V1036 PolarHBondContact O-N 3.47Å; V1036-T1038 PolarHBondContact O-N 2.98Å; V1036-S1040 WeakPolarHBondContact O-CB 3.32Å; V1036-S1040 PolarHBondContact O-N 3.23Å; V1036-S1040 PolarHBondContact O-OG 3.41Å; V1036-I1044 HydrophobicContact CG1-CG1 4.44Å; V1036-I1051 HydrophobicContact CG2-CD1 3.81Å |
| 1037 | Q | 92.4 | Very high | 89.6 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 36% | 0.36 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | -179.2 | -69.3 | 178.9 | 66.7 | 0 | 0 | 112.3 | S1033 E1034 L1035 N1041 R1042 I1044 | S1033-Q1037 WeakPolarHBondContact O-CG 3.47Å; S1033-Q1037 PolarHBondContact O-N 2.5Å; S1033-Q1037 PolarHBondContact O-NE2 3.11Å; E1034-Q1037 PolarHBondContact O-N 3.43Å; L1035-Q1037 PolarHBondContact O-N 3.33Å; Q1037-N1041 VanDerWaalsContact O-CA 3.26Å; Q1037-N1041 WeakPolarHBondContact O-CA 3.44Å; Q1037-N1041 PolarHBondContact O-N 2.9Å; Q1037-R1042 WeakPolarHBondContact CA-O 3.29Å; Q1037-R1042 PolarHBondContact O-N 2.8Å; Q1037-I1044 HydrophobicContact CG-CD1 4.13Å; Q1037-I1044 HydrophobicContact CG-CG1 3.79Å |
| 1038 | T | 93.1 | Very high | 89 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | -178.3 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | M1030 E1034 L1035 V1036 | M1030-T1038 HydrophobicContact CE-CG2 4.09Å; M1030-T1038 WeakPolarHBondContact CE-OG1 3.37Å; E1034-T1038 VanDerWaalsContact O-CB 3.3Å; E1034-T1038 WeakPolarHBondContact O-CB 3.33Å; E1034-T1038 PolarHBondContact O-N 2.92Å; E1034-T1038 PolarHBondContact O-OG1 3.31Å; L1035-T1038 PolarHBondContact O-N 2.73Å; V1036-T1038 PolarHBondContact O-N 2.98Å |
| 1039 | I | 92.7 | Very high | 88.7 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -81.1 | -38.4 | -176.3 | -56.1 | -47.8 | 0 | 0 | 0 | 111.9 | T1012 L1014 R1027 L1035 N1041 | T1012-I1039 HydrophobicContact CG2-CB 4.15Å; T1012-I1039 HydrophobicContact CG2-CG2 3.59Å; L1014-I1039 HydrophobicContact CD2-CB 4.35Å; R1027-I1039 VanDerWaalsContact NH2-CD1 3.34Å; L1035-I1039 HydrophobicContact CD1-CD1 4.37Å; L1035-I1039 HydrophobicContact CD1-CG1 3.85Å; L1035-I1039 HydrophobicContact CG-CG1 4.4Å; L1035-I1039 VanDerWaalsContact O-CG1 3.3Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.35Å; L1035-I1039 PolarHBondContact O-N 2.68Å; I1039-N1041 VanDerWaalsContact C-N 3.26Å; I1039-N1041 PolarHBondContact O-N 2.95Å |
| 1040 | S | 89.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -75.5 | -17.7 | 176.1 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | V1036 R1042 | V1036-S1040 WeakPolarHBondContact O-CB 3.32Å; V1036-S1040 PolarHBondContact O-N 3.23Å; V1036-S1040 PolarHBondContact O-OG 3.41Å; S1040-R1042 PolarHBondContact O-N 2.98Å; S1040-R1042 PolarHBondContact OG-N 3.35Å; S1040-R1042 PolarHBondContact OG-O 3.24Å |
| 1041 | N | 89.6 | Confident | 88.4 | Confident | 148 Ų | 148 | 67.5 Ų | 67.5 | 79% | 0.791 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.8 | -171.5 | -159.9 | 37.6 | 0 | 0 | 0 | 112.3 | Q1037 I1039 | Q1037-N1041 VanDerWaalsContact O-CA 3.26Å; Q1037-N1041 WeakPolarHBondContact O-CA 3.44Å; Q1037-N1041 PolarHBondContact O-N 2.9Å; I1039-N1041 VanDerWaalsContact C-N 3.26Å; I1039-N1041 PolarHBondContact O-N 2.95Å |
| 1042 | R | 85.5 | Confident | 88.4 | Confident | 190 Ų | 190 | 65.6 Ų | 65.6 | 72% | 0.717 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -136.4 | 134.5 | 178.4 | -66.3 | -178.7 | -174.1 | -169.7 | 0.8 | 109.5 | Q1037 S1040 | Q1037-R1042 WeakPolarHBondContact CA-O 3.29Å; Q1037-R1042 PolarHBondContact O-N 2.8Å; S1040-R1042 PolarHBondContact O-N 2.98Å; S1040-R1042 PolarHBondContact OG-N 3.35Å; S1040-R1042 PolarHBondContact OG-O 3.24Å |
| 1043 | P | 87.5 | Confident | 88.4 | Confident | 104 Ų | 104 | 65.6 Ų | 65.6 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 149.8 | 172.2 | 28.7 | -33 | 0 | 0 | 0 | 110.3 | ||
| 1044 | I | 85.7 | Confident | 88.6 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.195 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 128 | 169.7 | -64.5 | 169.6 | 0 | 0 | 0 | 107.2 | V1036 Q1037 V1048 L1074 | V1036-I1044 HydrophobicContact CG1-CG1 4.44Å; Q1037-I1044 HydrophobicContact CG-CD1 4.13Å; Q1037-I1044 HydrophobicContact CG-CG1 3.79Å; I1044-V1048 HydrophobicContact CG2-CB 4.16Å; I1044-V1048 HydrophobicContact CG2-CG1 4.37Å; I1044-L1074 HydrophobicContact CD1-CD1 4.45Å; I1044-L1074 HydrophobicContact CD1-CD2 4.02Å; I1044-L1074 HydrophobicContact CG2-CD1 3.8Å |
| 1045 | P | 80.6 | Confident | 88.7 | Confident | 91 Ų | 91 | 67 Ų | 67 | 59% | 0.591 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 145.5 | -179.3 | -23.2 | 32.4 | 0 | 0 | 0 | 113.1 | V1048 | P1045-V1048 HydrophobicContact CB-CG2 4Å; P1045-V1048 HydrophobicContact CG-CG2 4.32Å; P1045-V1048 WeakPolarHBondContact O-CG2 3.46Å |
| 1046 | E | 76 | Confident | 88.8 | Confident | 182 Ų | 182 | 71.8 Ų | 71.8 | 85% | 0.85 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 138.4 | 171.4 | -80.5 | -174.7 | 158.9 | 0 | 0 | 110.7 | ||
| 1047 | G | 75.5 | Confident | 88.9 | Confident | 59 Ų | 59 | 71.5 Ų | 71.5 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -15.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1049 | G1047-K1049 PolarHBondContact O-N 3.37Š|
| 1048 | V | 81 | Confident | 89.1 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | trans | -67.2 | 117.9 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | I1044 P1045 A1050 I1051 L1074 | I1044-V1048 HydrophobicContact CG2-CB 4.16Å; I1044-V1048 HydrophobicContact CG2-CG1 4.37Å; P1045-V1048 HydrophobicContact CB-CG2 4Å; P1045-V1048 HydrophobicContact CG-CG2 4.32Å; P1045-V1048 WeakPolarHBondContact O-CG2 3.46Å; V1048-A1050 WeakPolarHBondContact CG1-O 3.32Å; V1048-I1051 HydrophobicContact CG1-CG2 4.18Å; V1048-L1074 HydrophobicContact CB-CD1 4.41Å; V1048-L1074 HydrophobicContact CG1-CD1 4.04Å; V1048-L1074 WeakPolarHBondContact O-CD1 3.44Å | ||
| 1049 | K | 87 | Confident | 89.1 | Confident | 86 Ų | 86 | 66.3 Ų | 66.3 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | trans | -86.9 | -26.9 | 178.6 | -56 | -178.5 | -172.1 | 170.8 | 0 | 112.8 | D563 E567 G1047 L1074 | D563-K1049 HydrophobicContact CB-CB 4.47Å; D563-K1049 HydrophobicContact CB-CD 3.78Å; D563-K1049 HydrophobicContact CB-CG 4.03Å; D563-K1049 WeakPolarHBondContact OD2-CB 3.34Å; D563-K1049 WeakPolarHBondContact OD2-CG 3.44Å; D563-K1049 PolarHBondContact OD2-N 3.44Å; E567-K1049 IonicContact OE2-NZ 3.77Å; E567-K1049 PolarHBondContact OE2-NZ 3.45Å; G1047-K1049 PolarHBondContact O-N 3.37Å; K1049-L1074 PolarHBondContact O-N 3.28Å | ||
| 1050 | A | 90.7 | Very high | 89 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1048 K1071 Y1072 Y1073 | V1048-A1050 WeakPolarHBondContact CG1-O 3.32Å; A1050-K1071 HydrophobicContact CB-CG 3.96Å; A1050-Y1072 CarbonylContact C-O 3.59Å; A1050-Y1072 WeakPolarHBondContact CA-O 3.31Å; A1050-Y1072 VanDerWaalsContact CB-O 3.28Å; A1050-Y1072 WeakPolarHBondContact CB-O 3.49Å; A1050-Y1073 HydrophobicContact CB-CD1 4.09Å; A1050-Y1073 HydrophobicContact CB-CE1 4.46Å; A1050-Y1073 HydrophobicContact CB-CG 4.36Å |
| 1051 | I | 90.7 | Very high | 89 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.6 | 174.1 | 60.6 | 178.4 | 0 | 0 | 0 | 110.5 | I1032 V1036 V1048 L1053 Y1072 L1074 | I1032-I1051 HydrophobicContact CG2-CD1 4.1Å; V1036-I1051 HydrophobicContact CG2-CD1 3.81Å; V1048-I1051 HydrophobicContact CG1-CG2 4.18Å; I1051-L1053 HydrophobicContact CD1-CD2 4.08Å; I1051-L1053 HydrophobicContact CG1-CD2 4.31Å; I1051-Y1072 HydrophobicContact CD1-CD1 4.03Å; I1051-Y1072 HydrophobicContact CG1-CD1 3.81Å; I1051-Y1072 HydrophobicContact CG1-CG 4.24Å; I1051-Y1072 PolarHBondContact N-O 3.13Å; I1051-Y1072 PolarHBondContact O-N 3.48Å; I1051-L1074 HydrophobicContact CG2-CD1 4.16Å |
| 1052 | V | 93.9 | Very high | 88.9 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.9 | 175 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | Y591 Y1069 V1070 | Y591-V1052 HydrophobicContact CD2-CG2 3.74Å; Y591-V1052 HydrophobicContact CE2-CG2 3.47Å; Y591-V1052 VanDerWaalsContact CE2-CG2 3.47Å; V1052-Y1069 HydrophobicContact CG1-CD2 3.83Å; V1052-Y1069 HydrophobicContact CG1-CG 4.31Å; V1052-Y1069 HydrophobicContact CG2-CE2 4.5Å; V1052-V1070 WeakPolarHBondContact CA-O 3.24Å |
| 1053 | L | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.5 | 170.3 | -45.2 | 168.7 | 0 | 0 | 0 | 109.7 | L1007 S1008 Q1009 L1014 I1032 I1051 V1070 Y1072 | L1007-L1053 HydrophobicContact CD1-CB 3.81Å; L1007-L1053 HydrophobicContact CD1-CD1 4.22Å; S1008-L1053 WeakPolarHBondContact O-CA 3.39Å; Q1009-L1053 HydrophobicContact CB-CD2 4.07Å; Q1009-L1053 HydrophobicContact CG-CD2 4.32Å; L1014-L1053 HydrophobicContact CD1-CD2 3.87Å; I1032-L1053 HydrophobicContact CG2-CD1 3.95Å; I1032-L1053 HydrophobicContact CG2-CD2 4.33Å; I1051-L1053 HydrophobicContact CD1-CD2 4.08Å; I1051-L1053 HydrophobicContact CG1-CD2 4.31Å; L1053-V1070 HydrophobicContact CB-CB 4.1Å; L1053-V1070 HydrophobicContact CD1-CB 4.5Å; L1053-V1070 HydrophobicContact CD1-CG1 4.43Å; L1053-V1070 PolarHBondContact N-O 3.48Å; L1053-V1070 PolarHBondContact O-N 3Å; L1053-Y1072 HydrophobicContact CD1-CD2 4.28Å; L1053-Y1072 HydrophobicContact CD1-CG 4.28Å |
| 1054 | E | 95.8 | Very high | 89.6 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 137.3 | 171.8 | -65.1 | -157.4 | -176.7 | 0 | 0 | 110.4 | L1007 S1008 | L1007-E1054 WeakPolarHBondContact CA-O 3.42Å; S1008-E1054 PolarHBondContact N-O 3.34Å; S1008-E1054 PolarHBondContact O-N 3.33Å |
| 1055 | L | 94.5 | Very high | 90 | Very high | 20 Ų | 20 | 69.5 Ų | 69.5 | 11% | 0.105 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.4 | -175.2 | -68.9 | 165.2 | 0 | 0 | 0 | 109.5 | F981 M996 V1004 L1007 V1067 V1070 | F981-L1055 HydrophobicContact CD2-CD1 4.21Å; F981-L1055 HydrophobicContact CE2-CD1 4.37Å; M996-L1055 HydrophobicContact CE-CD1 3.79Å; M996-L1055 HydrophobicContact SD-CD1 4.15Å; V1004-L1055 HydrophobicContact CG1-CD2 3.75Å; V1004-L1055 HydrophobicContact CG2-CD2 4.02Å; L1007-L1055 HydrophobicContact CD1-CD2 3.38Å; L1007-L1055 HydrophobicContact CD1-CG 4.14Å; L1055-V1067 HydrophobicContact CB-CG2 3.85Å; L1055-V1067 HydrophobicContact CD1-CG2 4.4Å; L1055-V1070 HydrophobicContact CD1-CG2 3.31Å; L1055-V1070 HydrophobicContact CG-CG2 3.89Å |
| 1056 | M | 95.1 | Very high | 90.6 | Very high | 100 Ų | 100 | 71.1 Ų | 71.1 | 49% | 0.493 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.9 | 151.7 | -63.8 | -179.1 | 176.5 | 0 | 0 | 107.5 | T1005 M1006 | T1005-M1056 PolarHBondContact N-O 3.33Å; T1005-M1056 PolarHBondContact OG1-O 2.93Å; T1005-M1056 VanDerWaalsContact OG1-O 3.05Å; M1006-M1056 HydrophobicContact CB-CB 3.94Å; M1006-M1056 HydrophobicContact CB-CG 4.29Å; M1006-M1056 HydrophobicContact CB-SD 4.34Å; M1006-M1056 HydrophobicContact CE-CE 3.68Å; M1006-M1056 HydrophobicContact CE-CG 4.21Å; M1006-M1056 HydrophobicContact CE-SD 3.62Å; M1006-M1056 PolarHBondContact N-O 3.07Å; M1006-M1056 VanDerWaalsContact N-O 3.16Å; M1006-M1056 PolarHBondContact O-N 3.49Å; M1006-M1056 HydrophobicContact SD-SD 4.32Å |
| 1057 | C | 95.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152.6 | -177.3 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | L1002 E1003 V1065 V1067 | L1002-C1057 HydrophobicContact CB-CB 4.05Å; L1002-C1057 HydrophobicContact CD2-CB 4.05Å; L1002-C1057 HydrophobicContact CG-CB 4.48Å; E1003-C1057 CarbonylContact O-C 3.49Å; E1003-C1057 WeakPolarHBondContact O-CA 3.37Å; C1057-V1065 HydrophobicContact CB-CG2 4.33Å; C1057-V1065 WeakPolarHBondContact O-CG2 3.43Å; C1057-V1065 PolarHBondContact O-N 3.23Å; C1057-V1067 HydrophobicContact CB-CG1 4.34Å |
| 1058 | T | 95.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 10% | 0.104 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 153.1 | 164.8 | 54.3 | 0 | 0 | 0 | 0 | 111 | E1003 T1005 E1063 D1064 | E1003-T1058 PolarHBondContact N-O 3.45Å; E1003-T1058 PolarHBondContact O-N 3.43Å; T1005-T1058 HydrophobicContact CG2-CG2 3.6Å; T1058-E1063 CarbonylContact C-O 3.33Å; T1058-E1063 WeakPolarHBondContact CA-O 3.47Å; T1058-E1063 WeakPolarHBondContact CB-O 3.43Å; T1058-D1064 WeakPolarHBondContact CG2-OD1 3.19Å |
| 1059 | D | 93.2 | Very high | 93.2 | Very high | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | trans | -77.6 | -176.7 | 169.7 | 73 | 5.5 | 0 | 0 | 0 | 112.5 | Y971 H1061 G1062 E1063 V1065 | Y971-D1059 HydrophobicContact CE1-CB 3.96Å; Y971-D1059 VanDerWaalsContact OH-CA 3.26Å; Y971-D1059 WeakPolarHBondContact OH-CA 3.27Å; Y971-D1059 WeakPolarHBondContact OH-CB 3.43Å; D1059-H1061 PolarHBondContact O-N 3.07Å; D1059-H1061 WeakPolarHBondContact OD1-CA 3.48Å; D1059-H1061 WeakPolarHBondContact OD1-CB 3.36Å; D1059-H1061 PolarHBondContact OD1-N 3.39Å; D1059-G1062 PolarHBondContact O-N 3.45Å; D1059-G1062 PolarHBondContact OD1-N 3Å; D1059-E1063 PolarHBondContact N-O 3.44Å; D1059-E1063 PolarHBondContact OD1-N 2.88Å; D1059-V1065 HydrophobicContact CB-CG1 4.17Å | ||
| 1060 | E | 90 | Very high | 93.7 | Very high | 140 Ų | 140 | 55.9 Ų | 55.9 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.7 | 178.9 | 66.2 | 179.4 | 162 | 0 | 0 | 113.8 | Y971 | Y971-E1060 HydrophobicContact CE1-CG 4.12Å; Y971-E1060 PolarHBondContact OH-N 2.93Å |
| 1061 | H | 90.1 | Very high | 93.9 | Very high | 145 Ų | 145 | 55.9 Ų | 55.9 | 67% | 0.671 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.2 | 175.2 | -56.7 | -40.7 | 0 | 0 | 0 | 112.6 | D1059 | D1059-H1061 PolarHBondContact O-N 3.07Å; D1059-H1061 WeakPolarHBondContact OD1-CA 3.48Å; D1059-H1061 WeakPolarHBondContact OD1-CB 3.36Å; D1059-H1061 PolarHBondContact OD1-N 3.39Å |
| 1062 | G | 88.3 | Confident | 94 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 81.1 | 15.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1059 | D1059-G1062 PolarHBondContact O-N 3.45Å; D1059-G1062 PolarHBondContact OD1-N 3Å |
| 1063 | E | 92.7 | Very high | 94 | Very high | 136 Ų | 136 | 55 Ų | 55 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | trans | -85.5 | 137.2 | 174 | -62.7 | -165.7 | 168.5 | 0 | 0 | 110.6 | T1058 D1059 V1065 | T1058-E1063 CarbonylContact C-O 3.33Å; T1058-E1063 WeakPolarHBondContact CA-O 3.47Å; T1058-E1063 WeakPolarHBondContact CB-O 3.43Å; D1059-E1063 PolarHBondContact N-O 3.44Å; D1059-E1063 PolarHBondContact OD1-N 2.88Å; E1063-V1065 PolarHBondContact O-N 3.27Å | ||
| 1064 | D | 93.9 | Very high | 93.6 | Very high | 127 Ų | 127 | 56.3 Ų | 56.3 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.8 | 177.1 | -83.8 | -27 | 0 | 0 | 0 | 110.4 | T1058 | T1058-D1064 WeakPolarHBondContact CG2-OD1 3.19Å |
| 1065 | V | 93.6 | Very high | 92.8 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.3 | 179.3 | -69.4 | 0 | 0 | 0 | 0 | 111.1 | L1002 C1057 D1059 E1063 V1067 | L1002-V1065 HydrophobicContact CD2-CG2 3.62Å; C1057-V1065 HydrophobicContact CB-CG2 4.33Å; C1057-V1065 WeakPolarHBondContact O-CG2 3.43Å; C1057-V1065 PolarHBondContact O-N 3.23Å; D1059-V1065 HydrophobicContact CB-CG1 4.17Å; E1063-V1065 PolarHBondContact O-N 3.27Å; V1065-V1067 HydrophobicContact CG2-CG1 4.22Å |
| 1066 | E | 94 | Very high | 91.4 | Very high | 124 Ų | 124 | 54.1 Ų | 54.1 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | trans | -76.9 | 133.5 | 171.6 | -74.5 | -171.9 | 156.3 | 0 | 0 | 110.9 | K968 W975 | K968-E1066 VanDerWaalsContact CD-OE2 3.25Å; K968-E1066 WeakPolarHBondContact CD-OE2 3.44Å; K968-E1066 WeakPolarHBondContact CE-OE2 3.35Å; K968-E1066 IonicContact NZ-OE1 2.78Å; K968-E1066 IonicContact NZ-OE2 2.85Å; K968-E1066 PolarHBondContact NZ-OE2 3.45Å; W975-E1066 HydrophobicContact CZ2-CB 4.07Å; W975-E1066 PolarHBondContact NE1-O 3.04Å | ||
| 1067 | V | 95.8 | Very high | 89.3 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | trans | -132.7 | 159.5 | -176.1 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | Y970 W975 F981 L1002 L1055 C1057 V1065 | Y970-V1067 HydrophobicContact CD1-CG1 4.16Å; Y970-V1067 HydrophobicContact CG-CG1 4.26Å; W975-V1067 WeakPolarHBondContact CH2-O 3.22Å; W975-V1067 VanDerWaalsContact CZ2-C 3.43Å; F981-V1067 HydrophobicContact CE2-CB 4.14Å; F981-V1067 HydrophobicContact CE2-CG2 4.43Å; L1002-V1067 HydrophobicContact CD1-CB 4.36Å; L1002-V1067 HydrophobicContact CD1-CG1 3.61Å; L1002-V1067 HydrophobicContact CD2-CG1 3.96Å; L1002-V1067 HydrophobicContact CG-CG1 4.44Å; L1055-V1067 HydrophobicContact CB-CG2 3.85Å; L1055-V1067 HydrophobicContact CD1-CG2 4.4Å; C1057-V1067 HydrophobicContact CB-CG1 4.34Å; V1065-V1067 HydrophobicContact CG2-CG1 4.22Å | ||
| 1068 | P | 96.1 | Very high | 86.9 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.032 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 155 | 171.2 | -21.7 | 29.4 | 0 | 0 | 0 | 113 | Y970 W975 D979 F981 | Y970-P1068 HydrophobicContact CE1-CG 4.48Å; W975-P1068 HydrophobicContact CB-CG 3.88Å; W975-P1068 HydrophobicContact CD2-CB 4.45Å; W975-P1068 HydrophobicContact CD2-CG 3.57Å; W975-P1068 HydrophobicContact CE3-CB 4.02Å; W975-P1068 HydrophobicContact CE3-CG 3.59Å; W975-P1068 HydrophobicContact CG-CG 3.7Å; W975-P1068 HydrophobicContact CZ3-CB 4.36Å; W975-P1068 HydrophobicContact CZ3-CG 4.32Å; D979-P1068 HydrophobicContact CB-CG 4.48Å; F981-P1068 HydrophobicContact CD2-CB 4.1Å; F981-P1068 WeakPolarHBondContact CD2-O 3.16Å; F981-P1068 HydrophobicContact CE2-CB 3.9Å; F981-P1068 HydrophobicContact CE2-CG 4Å; F981-P1068 VanDerWaalsContact CE2-O 3.3Å; F981-P1068 WeakPolarHBondContact CE2-O 3.47Å; F981-P1068 HydrophobicContact CZ-CB 4.43Å; F981-P1068 HydrophobicContact CZ-CG 4.07Å |
| 1069 | Y | 95.9 | Very high | 84.1 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 163.2 | 169.8 | 70 | -88 | 0 | 0 | 0 | 111.4 | Y591 R980 F981 V1052 K1071 | Y591-Y1069 HydrophobicContact CD2-CE2 4.33Å; R980-Y1069 CarbonylContact C-O 3.38Å; R980-Y1069 VanDerWaalsContact CA-O 3.31Å; R980-Y1069 WeakPolarHBondContact CA-O 3.41Å; R980-Y1069 HydrophobicContact CB-CD1 4.31Å; R980-Y1069 HydrophobicContact CB-CD2 4.08Å; R980-Y1069 HydrophobicContact CB-CE1 3.94Å; R980-Y1069 HydrophobicContact CB-CE2 3.7Å; R980-Y1069 HydrophobicContact CB-CG 4.38Å; R980-Y1069 WeakPolarHBondContact CB-O 3.33Å; R980-Y1069 HydrophobicContact CG-CE2 4.36Å; R980-Y1069 PolarHBondContact NH1-OH 3.18Å; F981-Y1069 PolarHBondContact N-O 2.62Å; V1052-Y1069 HydrophobicContact CG1-CD2 3.83Å; V1052-Y1069 HydrophobicContact CG1-CG 4.31Å; V1052-Y1069 HydrophobicContact CG2-CE2 4.5Å; Y1069-K1071 HydrophobicContact CE2-CB 4.44Å |
| 1070 | V | 96.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.4 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | F981 I983 V1052 L1053 L1055 | F981-V1070 HydrophobicContact CB-CG2 4.18Å; F981-V1070 HydrophobicContact CD2-CG2 4.23Å; F981-V1070 CarbonylContact O-C 3.5Å; F981-V1070 WeakPolarHBondContact O-CA 3.45Å; I983-V1070 HydrophobicContact CB-CG1 4.15Å; I983-V1070 HydrophobicContact CD1-CG1 3.7Å; I983-V1070 HydrophobicContact CG1-CG1 3.9Å; V1052-V1070 WeakPolarHBondContact CA-O 3.24Å; L1053-V1070 HydrophobicContact CB-CB 4.1Å; L1053-V1070 HydrophobicContact CD1-CB 4.5Å; L1053-V1070 HydrophobicContact CD1-CG1 4.43Å; L1053-V1070 PolarHBondContact N-O 3.48Å; L1053-V1070 PolarHBondContact O-N 3Å; L1055-V1070 HydrophobicContact CD1-CG2 3.31Å; L1055-V1070 HydrophobicContact CG-CG2 3.89Å |
| 1071 | K | 95.3 | Very high | 80.6 | Confident | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.035 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 100.3 | 160.1 | -175.5 | 175.3 | -179 | 178.8 | 0 | 107.9 | Y591 F981 I983 A1050 Y1069 Y1073 | Y591-K1071 HydrophobicContact CE2-CD 4.15Å; Y591-K1071 HydrophobicContact CE2-CG 4.17Å; Y591-K1071 WeakPolarHBondContact OH-CE 3.36Å; F981-K1071 PolarHBondContact O-N 3.05Å; I983-K1071 PolarHBondContact N-O 3.42Å; I983-K1071 VanDerWaalsContact N-O 3.09Å; A1050-K1071 HydrophobicContact CB-CG 3.96Å; Y1069-K1071 HydrophobicContact CE2-CB 4.44Å; K1071-Y1073 HydrophobicContact CD-CE2 4.13Å; K1071-Y1073 WeakPolarHBondContact CE-OH 3.36Å; K1071-Y1073 HydrophobicContact CG-CE2 4.09Å; K1071-Y1073 PolarHBondContact NZ-OH 3.23Å |
| 1072 | Y | 93.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 110.6 | -178.5 | -179.8 | -87.5 | 0 | 0 | 0 | 109.8 | I983 G985 D986 I987 I1032 A1050 I1051 L1053 L1074 | I983-Y1072 HydrophobicContact CB-CD2 4.44Å; I983-Y1072 HydrophobicContact CG2-CD2 4.11Å; I983-Y1072 HydrophobicContact CG2-CE2 4.37Å; G985-Y1072 VanDerWaalsContact O-CZ 3.28Å; G985-Y1072 PolarHBondContact O-OH 2.93Å; G985-Y1072 VanDerWaalsContact O-OH 3.08Å; D986-Y1072 VanDerWaalsContact CA-OH 3.25Å; D986-Y1072 WeakPolarHBondContact CA-OH 3.45Å; D986-Y1072 PolarHBondContact OD1-OH 2.63Å; I987-Y1072 HydrophobicContact CD1-CE2 4.37Å; I987-Y1072 HydrophobicContact CG1-CE2 3.64Å; I987-Y1072 PolarHBondContact N-OH 3.26Å; I987-Y1072 PolarHBondContact O-OH 2.94Å; I1032-Y1072 HydrophobicContact CB-CD2 4.42Å; I1032-Y1072 HydrophobicContact CB-CE1 4.05Å; I1032-Y1072 HydrophobicContact CB-CE2 3.76Å; I1032-Y1072 HydrophobicContact CG1-CD2 4.43Å; I1032-Y1072 HydrophobicContact CG1-CE2 3.77Å; I1032-Y1072 HydrophobicContact CG2-CD1 4.16Å; I1032-Y1072 HydrophobicContact CG2-CD2 4.22Å; I1032-Y1072 HydrophobicContact CG2-CE1 4.01Å; I1032-Y1072 HydrophobicContact CG2-CE2 4.04Å; I1032-Y1072 HydrophobicContact CG2-CG 4.26Å; A1050-Y1072 CarbonylContact C-O 3.59Å; A1050-Y1072 WeakPolarHBondContact CA-O 3.31Å; A1050-Y1072 VanDerWaalsContact CB-O 3.28Å; A1050-Y1072 WeakPolarHBondContact CB-O 3.49Å; I1051-Y1072 HydrophobicContact CD1-CD1 4.03Å; I1051-Y1072 HydrophobicContact CG1-CD1 3.81Å; I1051-Y1072 HydrophobicContact CG1-CG 4.24Å; I1051-Y1072 PolarHBondContact N-O 3.13Å; I1051-Y1072 PolarHBondContact O-N 3.48Å; L1053-Y1072 HydrophobicContact CD1-CD2 4.28Å; L1053-Y1072 HydrophobicContact CD1-CG 4.28Å; Y1072-L1074 HydrophobicContact CD1-CD2 4.36Å; Y1072-L1074 HydrophobicContact CE1-CD2 4.14Å |
| 1073 | Y | 92.6 | Very high | 79.7 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 18% | 0.18 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.1 | 178.5 | -70.7 | -90.5 | 0 | 0 | 0 | 110.5 | E982 I983 A1050 K1071 | E982-Y1073 HydrophobicContact CB-CE2 4.21Å; E982-Y1073 HydrophobicContact CG-CE2 4.38Å; I983-Y1073 WeakPolarHBondContact O-CD2 3.4Å; I983-Y1073 PolarHBondContact O-N 2.83Å; A1050-Y1073 HydrophobicContact CB-CD1 4.09Å; A1050-Y1073 HydrophobicContact CB-CE1 4.46Å; A1050-Y1073 HydrophobicContact CB-CG 4.36Å; K1071-Y1073 HydrophobicContact CD-CE2 4.13Å; K1071-Y1073 WeakPolarHBondContact CE-OH 3.36Å; K1071-Y1073 HydrophobicContact CG-CE2 4.09Å; K1071-Y1073 PolarHBondContact NZ-OH 3.23Å |
| 1074 | L | 88.4 | Confident | 78.9 | Confident | 28 Ų | 28 | 70.9 Ų | 70.9 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -71 | 147.8 | 173.3 | -67.1 | 166.9 | 0 | 0 | 0 | 109.4 | I1044 V1048 K1049 I1051 Y1072 S1076 | I1044-L1074 HydrophobicContact CD1-CD1 4.45Å; I1044-L1074 HydrophobicContact CD1-CD2 4.02Å; I1044-L1074 HydrophobicContact CG2-CD1 3.8Å; V1048-L1074 HydrophobicContact CB-CD1 4.41Å; V1048-L1074 HydrophobicContact CG1-CD1 4.04Å; V1048-L1074 WeakPolarHBondContact O-CD1 3.44Å; K1049-L1074 PolarHBondContact O-N 3.28Å; I1051-L1074 HydrophobicContact CG2-CD1 4.16Å; Y1072-L1074 HydrophobicContact CD1-CD2 4.36Å; Y1072-L1074 HydrophobicContact CE1-CD2 4.14Å; L1074-S1076 PolarHBondContact O-N 3.32Å |
| 1075 | P | 78.6 | Confident | 78 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 130.9 | 175.3 | 26.1 | -35.2 | 0 | 0 | 0 | 109.7 | D986 | D986-P1075 HydrophobicContact CB-CB 4.13Å; D986-P1075 HydrophobicContact CB-CG 3.71Å |
| 1076 | S | 65.1 | Low | 76.9 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 39% | 0.392 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 140.3 | 175.1 | 64.4 | 0 | 0 | 0 | 0 | 109.2 | L1074 E1078 Q1079 | L1074-S1076 PolarHBondContact O-N 3.32Å; S1076-E1078 PolarHBondContact O-N 3.49Å; S1076-Q1079 PolarHBondContact O-N 3.25Å |
| 1077 | M | 51.6 | Low | 75.7 | Confident | 166 Ų | 166 | 65.9 Ų | 65.9 | 82% | 0.818 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -58.6 | -19.1 | 176.2 | -78.8 | -125.4 | -86.4 | 0 | 0 | 112.8 | Q1079 | M1077-Q1079 PolarHBondContact O-N 3.46Š|
| 1078 | E | 44.3 | Very low | 74.2 | Confident | 191 Ų | 191 | 69.8 Ų | 69.8 | 89% | 0.893 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -72.6 | -11.2 | 173 | -69 | -173.2 | 156.1 | 0 | 0 | 114.2 | S1076 | S1076-E1078 PolarHBondContact O-N 3.49Š|
| 1079 | Q | 36.7 | Very low | 72.4 | Confident | 156 Ų | 156 | 75.2 Ų | 75.2 | 73% | 0.729 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -103.1 | 3.5 | 178.1 | -72.6 | -175.9 | -3 | 0 | 0 | 114.3 | S1076 M1077 | S1076-Q1079 PolarHBondContact O-N 3.25Å; M1077-Q1079 PolarHBondContact O-N 3.46Å |
| 1080 | C | 30.1 | Very low | 70.2 | Confident | 171 Ų | 171 | 78.5 Ų | 78.5 | 100% | 1.155 | 42% | 0.419 | S | S | * | . | trans | -101.6 | 0 | 175.3 | -90 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 1,080 of 1,080 residues in 554.6 ms
(Link to these results)