| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.4 | Very low | 33.1 | Very low | 246 Ų | 246 | 153.6 Ų | 153.6 | 100% | 1.212 | 89% | 0.885 | S | S | * | * | 0 | 131.9 | 0 | -80 | -177.7 | -174.1 | 0 | 0 | 107.2 | |||||
| 2 | A | 37.9 | Very low | 32.8 | Very low | 94 Ų | 94 | 157.6 Ų | 157.6 | 78% | 0.777 | 89% | 0.889 | S | S | * | * | trans | -58.9 | 144.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3 | T | 32.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 153.2 Ų | 153.2 | 88% | 0.877 | 88% | 0.884 | S | S | * | * | trans | -152 | 102.8 | 140.3 | 40.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | E | 33.3 | Very low | 32.7 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 93% | 0.93 | 88% | 0.881 | S | S | * | * | trans | -62.3 | 138.5 | 160.6 | -67.4 | 171.4 | 146.5 | 0 | 0 | 109.3 | ||||
| 5 | G | 31.6 | Very low | 32.5 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 88% | 0.876 | S | S | * | * | trans | -122.2 | 128.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | P | 37.4 | Very low | 32.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 87% | 0.874 | S | S | * | * | trans | -88 | 135.3 | 176.5 | 32 | -28.3 | 0 | 0 | 0 | 111.1 | ||||
| 7 | E | 31.8 | Very low | 32.6 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 87% | 0.87 | S | S | * | * | trans | -60.9 | 134.4 | 164.8 | -73.3 | 173.6 | 135.2 | 0 | 0 | 110.4 | ||||
| 8 | K | 32.1 | Very low | 32.8 | Very low | 211 Ų | 211 | 136.9 Ų | 136.9 | 92% | 0.917 | 87% | 0.874 | S | S | * | * | trans | -93.6 | 103 | 168 | -82.2 | -175.9 | 174.7 | -178.1 | 0 | 109.1 | ||||
| 9 | T | 32.3 | Very low | 32.6 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 84% | 0.84 | 87% | 0.867 | S | S | * | * | trans | -89.2 | 115.8 | 156.4 | 41.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 10 | G | 27.6 | Very low | 32.8 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 86% | 0.856 | 87% | 0.872 | S | S | * | * | trans | -99.8 | 103.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 11 | E | 30.6 | Very low | 32.9 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 89% | 0.893 | 86% | 0.86 | S | S | * | * | trans | -119.6 | 100.1 | 167.9 | -152.8 | 171.6 | -161 | 0 | 0 | 106.3 | A13 | E11-A13 PolarHBondContact O-N 2.68Å; E11-A13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | E | 28.8 | Very low | 33.3 | Very low | 201 Ų | 201 | 122.3 Ų | 122.3 | 94% | 0.939 | 85% | 0.851 | S | S | * | * | trans | -78.2 | 91.1 | 176.9 | -88.7 | -175.5 | 150.7 | 0 | 0 | 109.6 | A14 | E12-A14 PolarHBondContact O-N 3.1Š| ||
| 13 | A | 30.5 | Very low | 34.5 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | trans | -79.2 | 97.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | E11 G15 | E11-A13 PolarHBondContact O-N 2.68Å; E11-A13 VanDerWaalsContact O-N 3.13Å; A13-G15 PolarHBondContact O-N 3.1Å; A13-G15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | A | 33.9 | Very low | 36.9 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 98.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E12 A16 | E12-A14 PolarHBondContact O-N 3.1Å; A14-A16 PolarHBondContact O-N 3.01Å | ||
| 15 | G | 29.6 | Very low | 39.8 | Very low | 78 Ų | 78 | 110 Ų | 110 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -71.4 | 114.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A13 | A13-G15 PolarHBondContact O-N 3.1Å; A13-G15 VanDerWaalsContact O-N 3.1Å | ||
| 16 | A | 37.5 | Very low | 42.9 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -83.7 | 113.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A14 | A14-A16 PolarHBondContact O-N 3.01Š| ||
| 17 | G | 29.6 | Very low | 45.8 | Very low | 78 Ų | 78 | 109.5 Ų | 109.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -69.9 | 135.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G19 | G17-G19 PolarHBondContact O-N 3.42Š| ||
| 18 | A | 35.9 | Very low | 49 | Very low | 113 Ų | 113 | 105 Ų | 105 | 93% | 0.934 | 74% | 0.741 | S | S | * | * | trans | -73.6 | 110.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 19 | G | 28.7 | Very low | 52.1 | Low | 72 Ų | 72 | 95.3 Ų | 95.3 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | trans | -104.4 | 120.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110 | G17 G21 | G17-G19 PolarHBondContact O-N 3.42Å; G19-G21 PolarHBondContact O-N 3.18Å | ||
| 20 | A | 37.5 | Very low | 55.3 | Low | 118 Ų | 118 | 94.5 Ų | 94.5 | 98% | 0.975 | 69% | 0.686 | S | S | * | * | trans | -69.4 | 109.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 21 | G | 34.5 | Very low | 58.6 | Low | 60 Ų | 60 | 97.4 Ų | 97.4 | 62% | 0.619 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -167.1 | 136.2 | 168 | 0 | 0 | 0 | 0 | 0 | 107.4 | G19 G23 | G19-G21 PolarHBondContact O-N 3.18Å; G21-G23 PolarHBondContact O-N 3.34Å |
| 22 | G | 45.5 | Very low | 61.8 | Low | 100 Ų | 100 | 92.1 Ų | 92.1 | 100% | 1.031 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -67.2 | 38.8 | -172 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 23 | G | 62.5 | Low | 65.1 | Low | 65 Ų | 65 | 82.7 Ų | 82.7 | 67% | 0.67 | 61% | 0.607 | S | S | * | * | trans | -108.9 | 128.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | G21 | G21-G23 PolarHBondContact O-N 3.34Š| ||
| 24 | G | 82.9 | Confident | 68.3 | Low | 24 Ų | 24 | 78.3 Ų | 78.3 | 25% | 0.247 | 57% | 0.569 | C | S | . | * | P | Polyproline II helix | trans | -64.7 | 161.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R26 L87 S88 | G24-R26 PolarHBondContact O-N 3.05Å; G24-L87 CarbonylContact C-O 3.51Å; G24-L87 WeakPolarHBondContact CA-O 3.12Å; G24-S88 VanDerWaalsContact CA-OG 3.27Å; G24-S88 WeakPolarHBondContact CA-OG 3.49Å |
| 25 | T | 95.6 | Very high | 71.4 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 121.1 | 172.6 | -53 | 0 | 0 | 0 | 0 | 109.6 | F27 S86 L87 | T25-F27 HydrophobicContact CG2-CD2 4.33Å; T25-F27 HydrophobicContact CG2-CE2 3.57Å; T25-F27 HydrophobicContact CG2-CZ 3.74Å; T25-F27 WeakPolarHBondContact O-CD2 3.45Å; T25-S86 WeakPolarHBondContact O-CA 3.48Å; T25-L87 PolarHBondContact N-O 2.89Å; T25-L87 PolarHBondContact O-N 3.44Å |
| 26 | R | 97 | Very high | 74.6 | Confident | 148 Ų | 148 | 70.7 Ų | 70.7 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.1 | 177.3 | 178.5 | 176.9 | 170.6 | 165.6 | -1 | 110.9 | G24 D28 L50 S84 V85 | G24-R26 PolarHBondContact O-N 3.05Å; R26-D28 IonicContact CZ-OD1 3.94Å; R26-D28 IonicContact CZ-OD2 2.97Å; R26-D28 IonicContact NE-OD1 3.39Å; R26-D28 PolarHBondContact NE-OD1 3.38Å; R26-D28 IonicContact NE-OD2 3.9Å; R26-D28 PolarHBondContact NE-OD2 3.15Å; R26-D28 IonicContact NH2-OD1 3.01Å; R26-D28 PolarHBondContact NH2-OD1 2.92Å; R26-D28 IonicContact NH2-OD2 3.47Å; R26-L50 HydrophobicContact CG-CD1 4.36Å; R26-S84 PolarHBondContact NH2-OG 3.05Å; R26-V85 CarbonylContact C-O 3.29Å; R26-V85 WeakPolarHBondContact CA-O 2.85Å |
| 27 | F | 97.9 | Very high | 77.4 | Confident | 36 Ų | 36 | 66 Ų | 66 | 16% | 0.158 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.1 | 171.4 | -63.8 | -94.2 | 0 | 0 | 0 | 109.3 | T25 L29 L35 S84 V85 L87 A94 V96 | T25-F27 HydrophobicContact CG2-CD2 4.33Å; T25-F27 HydrophobicContact CG2-CE2 3.57Å; T25-F27 HydrophobicContact CG2-CZ 3.74Å; T25-F27 WeakPolarHBondContact O-CD2 3.45Å; F27-L29 HydrophobicContact CB-CD1 3.82Å; F27-L35 HydrophobicContact CB-CD1 4.48Å; F27-L35 HydrophobicContact CB-CD2 4.01Å; F27-L35 HydrophobicContact CD1-CD1 3.64Å; F27-L35 HydrophobicContact CD1-CD2 4.46Å; F27-L35 HydrophobicContact CD2-CD1 4.31Å; F27-L35 HydrophobicContact CD2-CD2 3.83Å; F27-L35 HydrophobicContact CE1-CD1 3.85Å; F27-L35 HydrophobicContact CE2-CD2 4.45Å; F27-L35 HydrophobicContact CG-CD1 3.89Å; F27-L35 HydrophobicContact CG-CD2 3.84Å; F27-L35 HydrophobicContact CZ-CD1 4.28Å; F27-S84 WeakPolarHBondContact O-CA 3.42Å; F27-V85 HydrophobicContact CB-CG2 3.94Å; F27-V85 PolarHBondContact N-O 3.19Å; F27-V85 PolarHBondContact O-N 3.03Å; F27-L87 HydrophobicContact CD2-CB 4.48Å; F27-L87 HydrophobicContact CD2-CD1 4.19Å; F27-L87 HydrophobicContact CD2-CG 4.29Å; F27-L87 HydrophobicContact CE2-CB 4.07Å; F27-L87 HydrophobicContact CE2-CD1 3.74Å; F27-L87 HydrophobicContact CE2-CG 4.13Å; F27-L87 HydrophobicContact CZ-CD1 4.42Å; F27-A94 HydrophobicContact CZ-CB 4Å; F27-V96 HydrophobicContact CD1-CG2 4.21Å |
| 28 | D | 98.2 | Very high | 80.5 | Confident | 95 Ų | 95 | 64 Ų | 64 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.6 | 171 | -64.2 | -57 | 0 | 0 | 0 | 108.3 | R26 S84 | R26-D28 IonicContact CZ-OD1 3.94Å; R26-D28 IonicContact CZ-OD2 2.97Å; R26-D28 IonicContact NE-OD1 3.39Å; R26-D28 PolarHBondContact NE-OD1 3.38Å; R26-D28 IonicContact NE-OD2 3.9Å; R26-D28 PolarHBondContact NE-OD2 3.15Å; R26-D28 IonicContact NH2-OD1 3.01Å; R26-D28 PolarHBondContact NH2-OD1 2.92Å; R26-D28 IonicContact NH2-OD2 3.47Å; D28-S84 WeakPolarHBondContact OD1-CB 3.35Å; D28-S84 PolarHBondContact OD1-OG 3.34Å |
| 29 | L | 98.3 | Very high | 83.2 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.4 | -177.4 | -75.9 | 67.6 | 0 | 0 | 0 | 108.9 | F27 L35 V77 T79 G82 C83 V85 V96 | F27-L29 HydrophobicContact CB-CD1 3.82Å; L29-L35 HydrophobicContact CD1-CB 4.18Å; L29-L35 HydrophobicContact CD2-CB 3.93Å; L29-L35 HydrophobicContact CG-CB 4.41Å; L29-V77 WeakPolarHBondContact CD2-O 3.35Å; L29-T79 HydrophobicContact CB-CG2 3.67Å; L29-T79 HydrophobicContact CD2-CG2 4.2Å; L29-G82 WeakPolarHBondContact O-CA 3.23Å; L29-C83 PolarHBondContact N-O 3.41Å; L29-C83 PolarHBondContact O-N 2.91Å; L29-V85 HydrophobicContact CD1-CG2 4.01Å; L29-V96 HydrophobicContact CD1-CG2 4.44Å; L29-V96 HydrophobicContact CG-CG2 4.45Å |
| 30 | E | 98.2 | Very high | 86.1 | Confident | 121 Ų | 121 | 58.9 Ų | 58.9 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | trans | -70 | 165.3 | 168.6 | -66.4 | -179.6 | 166.3 | 0 | 0 | 110.5 | E32 T33 T79 K98 | E30-E32 PolarHBondContact O-N 3.34Å; E30-T33 HydrophobicContact CB-CG2 4.04Å; E30-T33 PolarHBondContact N-OG1 3.47Å; E30-T33 PolarHBondContact O-N 2.99Å; E30-T33 PolarHBondContact O-OG1 3.26Å; E30-T79 VanDerWaalsContact O-CG2 3.27Å; E30-T79 WeakPolarHBondContact O-CG2 3.43Å; E30-K98 IonicContact OE1-NZ 2.98Å; E30-K98 IonicContact OE2-NZ 2.86Å; E30-K98 PolarHBondContact OE2-NZ 3.47Å | ||
| 31 | K | 97.8 | Very high | 88.4 | Confident | 143 Ų | 143 | 57.2 Ų | 57.2 | 62% | 0.622 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 142 | 171.6 | 66 | 174.8 | -172.7 | 168.2 | 0 | 111.2 | T33 | K31-T33 PolarHBondContact O-N 3.24Š|
| 32 | E | 97.3 | Very high | 90.8 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 30.8 | 175.5 | -56.4 | 174.6 | 175.4 | 0 | 0 | 113.9 | E30 F78 T79 W80 | E30-E32 PolarHBondContact O-N 3.34Å; E32-F78 HydrophobicContact CB-CZ 4.39Å; E32-T79 VanDerWaalsContact CA-O 3.31Å; E32-T79 WeakPolarHBondContact CA-O 3.29Å; E32-T79 PolarHBondContact N-O 2.77Å; E32-W80 HydrophobicContact CG-CE3 4.35Å |
| 33 | T | 97.9 | Very high | 93 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 160.1 | 174 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | E30 K31 F78 T79 S97 K98 | E30-T33 HydrophobicContact CB-CG2 4.04Å; E30-T33 PolarHBondContact N-OG1 3.47Å; E30-T33 PolarHBondContact O-N 2.99Å; E30-T33 PolarHBondContact O-OG1 3.26Å; K31-T33 PolarHBondContact O-N 3.24Å; T33-F78 WeakPolarHBondContact O-CD2 3.42Å; T33-T79 PolarHBondContact O-N 3.07Å; T33-S97 WeakPolarHBondContact CA-O 3.36Å; T33-S97 WeakPolarHBondContact CB-O 3.3Å; T33-K98 HydrophobicContact CG2-CB 4.26Å; T33-K98 HydrophobicContact CG2-CD 4.32Å; T33-K98 HydrophobicContact CG2-CG 3.78Å |
| 34 | E | 98 | Very high | 94.4 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.9 | 172 | 61 | -170.5 | -163.3 | 0 | 0 | 113.2 | R36 V77 F78 V96 S97 T100 | E34-R36 HydrophobicContact CG-CG 4.13Å; E34-R36 IonicContact OE1-CZ 3.62Å; E34-R36 IonicContact OE1-NE 2.73Å; E34-R36 PolarHBondContact OE1-NE 2.96Å; E34-R36 IonicContact OE1-NH2 2.65Å; E34-R36 PolarHBondContact OE1-NH2 3.26Å; E34-V77 CarbonylContact C-O 3.54Å; E34-V77 WeakPolarHBondContact CA-O 3.44Å; E34-V77 WeakPolarHBondContact CB-O 3.45Å; E34-F78 HydrophobicContact CB-CB 4.06Å; E34-F78 HydrophobicContact CB-CD2 3.97Å; E34-V96 CarbonylContact O-C 3.6Å; E34-V96 WeakPolarHBondContact O-CA 3.27Å; E34-S97 PolarHBondContact N-O 3.31Å; E34-S97 PolarHBondContact O-N 3.49Å; E34-T100 HydrophobicContact CB-CG2 4.47Å; E34-T100 HydrophobicContact CG-CG2 3.6Å |
| 35 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.3 | 164.8 | 173.4 | 63 | 0 | 0 | 0 | 108.5 | F27 L29 F37 A76 V77 V85 L87 V96 | F27-L35 HydrophobicContact CB-CD1 4.48Å; F27-L35 HydrophobicContact CB-CD2 4.01Å; F27-L35 HydrophobicContact CD1-CD1 3.64Å; F27-L35 HydrophobicContact CD1-CD2 4.46Å; F27-L35 HydrophobicContact CD2-CD1 4.31Å; F27-L35 HydrophobicContact CD2-CD2 3.83Å; F27-L35 HydrophobicContact CE1-CD1 3.85Å; F27-L35 HydrophobicContact CE2-CD2 4.45Å; F27-L35 HydrophobicContact CG-CD1 3.89Å; F27-L35 HydrophobicContact CG-CD2 3.84Å; F27-L35 HydrophobicContact CZ-CD1 4.28Å; L29-L35 HydrophobicContact CD1-CB 4.18Å; L29-L35 HydrophobicContact CD2-CB 3.93Å; L29-L35 HydrophobicContact CG-CB 4.41Å; L35-F37 HydrophobicContact CG-CD1 4.35Å; L35-A76 CarbonylContact O-C 3.58Å; L35-A76 WeakPolarHBondContact O-CA 3.34Å; L35-V77 HydrophobicContact CB-CB 4.34Å; L35-V77 PolarHBondContact N-O 3.33Å; L35-V77 PolarHBondContact O-N 2.89Å; L35-V85 HydrophobicContact CD2-CG2 3.5Å; L35-L87 HydrophobicContact CD2-CD1 3.71Å; L35-L87 HydrophobicContact CD2-CG 4.09Å; L35-L87 HydrophobicContact CG-CD1 4.39Å; L35-V96 HydrophobicContact CD1-CG2 4.2Å |
| 36 | R | 97.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.2 | 172.8 | -63.8 | 177.2 | -178.9 | 157 | 10.7 | 108.7 | E34 I75 A76 A94 Y95 S97 D99 S294 G295 G296 | E34-R36 HydrophobicContact CG-CG 4.13Å; E34-R36 IonicContact OE1-CZ 3.62Å; E34-R36 IonicContact OE1-NE 2.73Å; E34-R36 PolarHBondContact OE1-NE 2.96Å; E34-R36 IonicContact OE1-NH2 2.65Å; E34-R36 PolarHBondContact OE1-NH2 3.26Å; R36-I75 WeakPolarHBondContact CA-O 3.46Å; R36-A76 HydrophobicContact CG-CB 4.43Å; R36-A94 CarbonylContact O-C 3.58Å; R36-A94 VanDerWaalsContact O-CA 3.31Å; R36-A94 WeakPolarHBondContact O-CA 3.48Å; R36-Y95 HydrophobicContact CB-CD1 4.37Å; R36-Y95 HydrophobicContact CB-CE1 3.96Å; R36-Y95 HydrophobicContact CB-CE2 4.3Å; R36-Y95 VanDerWaalsContact CD-OH 3.27Å; R36-Y95 WeakPolarHBondContact CD-OH 3.3Å; R36-Y95 PolarHBondContact N-O 3.44Å; R36-Y95 PolarHBondContact O-N 3.49Å; R36-S97 PolarHBondContact NH1-OG 2.99Å; R36-S97 PolarHBondContact NH2-OG 2.87Å; R36-D99 PolarHBondContact NH2-O 2.76Å; R36-S294 PolarHBondContact NH2-OG 3.41Å; R36-G295 VanDerWaalsContact NH1-C 3.31Å; R36-G296 VanDerWaalsContact CZ-N 3.26Å |
| 37 | F | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.6 | 172.6 | 68.8 | -88.2 | 0 | 0 | 0 | 112.7 | L35 V39 V45 F69 I75 V77 L87 T91 V93 A94 | L35-F37 HydrophobicContact CG-CD1 4.35Å; F37-V39 HydrophobicContact CD2-CG2 4.3Å; F37-V39 HydrophobicContact CE2-CG2 4.08Å; F37-V45 HydrophobicContact CD2-CG1 4.31Å; F37-V45 HydrophobicContact CE2-CB 4.45Å; F37-V45 HydrophobicContact CE2-CG1 3.94Å; F37-F69 HydrophobicContact CE2-CD2 4.02Å; F37-F69 HydrophobicContact CE2-CG 4.39Å; F37-F69 AromaticContact CZ-CD2 3.67Å; F37-F69 HydrophobicContact CZ-CD2 3.67Å; F37-F69 AromaticContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CG 4.3Å; F37-I75 HydrophobicContact CD1-CB 4.14Å; F37-I75 HydrophobicContact CD1-CG2 4.47Å; F37-I75 HydrophobicContact CD2-CB 4.44Å; F37-I75 HydrophobicContact CE1-CB 3.59Å; F37-I75 HydrophobicContact CE1-CG1 4.39Å; F37-I75 HydrophobicContact CE1-CG2 3.6Å; F37-I75 HydrophobicContact CE2-CB 3.92Å; F37-I75 HydrophobicContact CE2-CG1 3.91Å; F37-I75 HydrophobicContact CZ-CB 3.47Å; F37-I75 VanDerWaalsContact CZ-CB 3.47Å; F37-I75 HydrophobicContact CZ-CG1 3.75Å; F37-I75 HydrophobicContact CZ-CG2 3.67Å; F37-I75 PolarHBondContact N-O 3.34Å; F37-I75 PolarHBondContact O-N 2.87Å; F37-V77 HydrophobicContact CE1-CG2 3.96Å; F37-L87 HydrophobicContact CB-CD1 4.13Å; F37-L87 HydrophobicContact CD1-CD1 3.92Å; F37-L87 HydrophobicContact CD1-CD2 4.2Å; F37-L87 HydrophobicContact CE1-CD1 4.46Å; F37-L87 HydrophobicContact CE1-CD2 3.92Å; F37-L87 HydrophobicContact CE2-CD2 4.35Å; F37-L87 HydrophobicContact CG-CD1 3.96Å; F37-L87 HydrophobicContact CZ-CD2 4Å; F37-T91 HydrophobicContact CB-CG2 4.28Å; F37-T91 HydrophobicContact CD2-CG2 4.25Å; F37-V93 CarbonylContact C-O 3.47Å; F37-V93 WeakPolarHBondContact CA-O 3.43Å; F37-V93 WeakPolarHBondContact CB-O 3.28Å; F37-A94 HydrophobicContact CB-CB 3.92Å |
| 38 | E | 94.8 | Very high | 95.1 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133 | 173.3 | -57.6 | -164 | -147.5 | 0 | 0 | 110.2 | S73 K74 T91 E92 V93 V298 | E38-S73 WeakPolarHBondContact CA-O 3.42Å; E38-K74 HydrophobicContact CG-CG 3.98Å; E38-K74 WeakPolarHBondContact OE2-CE 3.49Å; E38-K74 IonicContact OE2-NZ 2.74Å; E38-K74 PolarHBondContact OE2-NZ 2.84Å; E38-T91 CarbonylContact O-C 3.54Å; E38-T91 WeakPolarHBondContact O-CA 3.45Å; E38-T91 WeakPolarHBondContact O-CB 3.45Å; E38-E92 HydrophobicContact CB-CB 4.41Å; E38-E92 PolarHBondContact O-N 3.43Å; E38-V93 HydrophobicContact CB-CG1 3.98Å; E38-V93 HydrophobicContact CG-CG1 3.73Å; E38-V93 PolarHBondContact N-O 3.38Å; E38-V298 WeakPolarHBondContact OE1-CG2 3.48Å |
| 39 | V | 92.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 126.1 | 179 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | F37 E43 V45 F69 P70 G72 S73 | F37-V39 HydrophobicContact CD2-CG2 4.3Å; F37-V39 HydrophobicContact CE2-CG2 4.08Å; V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.41Å; V39-V45 HydrophobicContact CB-CG2 4.35Å; V39-V45 HydrophobicContact CG1-CB 4.36Å; V39-V45 HydrophobicContact CG1-CG2 3.91Å; V39-V45 HydrophobicContact CG2-CB 3.88Å; V39-V45 HydrophobicContact CG2-CG2 3.97Å; V39-F69 HydrophobicContact CG2-CB 3.91Å; V39-P70 WeakPolarHBondContact CB-O 3.37Å; V39-P70 WeakPolarHBondContact CG1-O 3.44Å; V39-G72 PolarHBondContact O-N 3.18Å; V39-S73 PolarHBondContact N-O 2.97Å |
| 40 | E | 90.1 | Very high | 95.1 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 147.3 | 178.3 | -171.9 | -178.9 | 165.5 | 0 | 0 | 111.1 | G42 E43 K90 | E40-G42 PolarHBondContact O-N 3.31Å; E40-E43 HydrophobicContact CB-CB 4.15Å; E40-E43 HydrophobicContact CB-CG 4.2Å; E40-E43 HydrophobicContact CG-CG 4.42Å; E40-E43 PolarHBondContact O-N 2.99Å; E40-E43 VanDerWaalsContact O-N 3.12Å; E40-K90 HydrophobicContact CB-CB 4.32Å; E40-K90 PolarHBondContact N-O 2.85Å; E40-K90 WeakPolarHBondContact OE2-CB 3.37Å; E40-K90 VanDerWaalsContact OE2-CD 3.31Å; E40-K90 WeakPolarHBondContact OE2-CD 3.35Å |
| 41 | A | 85.8 | Confident | 95 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 69% | 0.694 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | 135.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E43 | A41-E43 PolarHBondContact O-N 3.34Š|
| 42 | G | 85.1 | Confident | 95 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 73% | 0.732 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | -11.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116 | E40 | E40-G42 PolarHBondContact O-N 3.31Š|
| 43 | E | 90.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | trans | -102.8 | 165.9 | -174.6 | -65.3 | -74.6 | -178 | 0 | 0 | 112.7 | V39 E40 A41 P71 K90 | V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.41Å; E40-E43 HydrophobicContact CB-CB 4.15Å; E40-E43 HydrophobicContact CB-CG 4.2Å; E40-E43 HydrophobicContact CG-CG 4.42Å; E40-E43 PolarHBondContact O-N 2.99Å; E40-E43 VanDerWaalsContact O-N 3.12Å; A41-E43 PolarHBondContact O-N 3.34Å; E43-P71 VanDerWaalsContact O-CA 3.32Å; E43-P71 WeakPolarHBondContact O-CA 3.44Å; E43-P71 WeakPolarHBondContact O-CD 3.41Å; E43-P71 WeakPolarHBondContact O-CG 3.35Å; E43-P71 VanDerWaalsContact O-N 3.16Å; E43-K90 HydrophobicContact CB-CB 4.35Å; E43-K90 HydrophobicContact CG-CB 4.12Å; E43-K90 HydrophobicContact CG-CD 4.1Å; E43-K90 HydrophobicContact CG-CG 4.47Å; E43-K90 WeakPolarHBondContact OE1-CE 3.39Å; E43-K90 IonicContact OE1-NZ 2.93Å; E43-K90 PolarHBondContact OE1-NZ 3.28Å | ||
| 44 | K | 92.3 | Very high | 95.1 | Very high | 121 Ų | 121 | 40.5 Ų | 40.5 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | trans | -123.4 | 144.2 | 172.2 | -62.7 | 179.3 | -169.5 | 179.5 | 0 | 109.4 | T68 R321 | K44-T68 HydrophobicContact CB-CG2 4.24Å; K44-T68 HydrophobicContact CD-CG2 4.28Å; K44-R321 VanDerWaalsContact CE-NH2 3.32Å | ||
| 45 | V | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.5 | 176 | 169.8 | 0 | 0 | 0 | 0 | 109.6 | F37 V39 T68 F69 L87 S88 K90 T91 | F37-V45 HydrophobicContact CD2-CG1 4.31Å; F37-V45 HydrophobicContact CE2-CB 4.45Å; F37-V45 HydrophobicContact CE2-CG1 3.94Å; V39-V45 HydrophobicContact CB-CG2 4.35Å; V39-V45 HydrophobicContact CG1-CB 4.36Å; V39-V45 HydrophobicContact CG1-CG2 3.91Å; V39-V45 HydrophobicContact CG2-CB 3.88Å; V39-V45 HydrophobicContact CG2-CG2 3.97Å; V45-T68 CarbonylContact O-C 3.55Å; V45-T68 WeakPolarHBondContact O-CA 3.45Å; V45-F69 PolarHBondContact N-O 3.07Å; V45-F69 PolarHBondContact O-N 3.46Å; V45-L87 HydrophobicContact CG1-CD2 3.77Å; V45-S88 CarbonylContact C-O 3.43Å; V45-S88 WeakPolarHBondContact CA-O 3.2Å; V45-K90 WeakPolarHBondContact CG2-O 3.27Å; V45-T91 HydrophobicContact CG1-CG2 4.27Å; V45-T91 HydrophobicContact CG2-CG2 3.73Å |
| 46 | Q | 96.7 | Very high | 95.1 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.7 | 172.5 | -67.3 | -171.8 | -19.6 | 0 | 0 | 110.4 | Y67 T68 L87 S88 | Q46-Y67 CarbonylContact C-O 3.58Å; Q46-Y67 VanDerWaalsContact CA-O 3.25Å; Q46-Y67 WeakPolarHBondContact CA-O 3.43Å; Q46-T68 HydrophobicContact CG-CG2 4.28Å; Q46-L87 CarbonylContact O-C 3.43Å; Q46-L87 WeakPolarHBondContact O-CA 3.44Å; Q46-S88 PolarHBondContact N-O 3.33Å; Q46-S88 PolarHBondContact O-N 2.92Å |
| 47 | L | 97.5 | Very high | 95 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.9 | 172.8 | 176.8 | 74.8 | 0 | 0 | 0 | 109.6 | L61 K66 Y67 F69 V77 V85 S86 L87 | L47-L61 HydrophobicContact CD2-CD1 3.82Å; L47-K66 CarbonylContact O-C 3.56Å; L47-K66 WeakPolarHBondContact O-CA 3.34Å; L47-Y67 PolarHBondContact N-O 2.99Å; L47-Y67 PolarHBondContact O-N 2.95Å; L47-F69 HydrophobicContact CB-CD2 4.36Å; L47-F69 HydrophobicContact CB-CE2 3.71Å; L47-F69 HydrophobicContact CD2-CE2 3.95Å; L47-F69 HydrophobicContact CD2-CZ 4.33Å; L47-V77 HydrophobicContact CD1-CG2 4.13Å; L47-V77 HydrophobicContact CD2-CG2 3.48Å; L47-V77 VanDerWaalsContact CD2-CG2 3.48Å; L47-V77 HydrophobicContact CG-CG2 4.48Å; L47-V85 HydrophobicContact CD1-CB 3.86Å; L47-V85 HydrophobicContact CD1-CG1 4.37Å; L47-V85 HydrophobicContact CD1-CG2 4.08Å; L47-S86 CarbonylContact C-O 3.6Å; L47-S86 WeakPolarHBondContact CA-O 3.45Å; L47-L87 HydrophobicContact CB-CD2 3.9Å; L47-L87 HydrophobicContact CD1-CD2 3.45Å; L47-L87 VanDerWaalsContact CD1-CD2 3.45Å; L47-L87 HydrophobicContact CD1-CG 4.14Å; L47-L87 HydrophobicContact CG-CD2 4.27Å |
| 48 | E | 98 | Very high | 95 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 129.4 | 173.1 | -173.3 | 176.4 | 169.6 | 0 | 0 | 110.5 | L50 N64 K66 V85 S86 | E48-L50 HydrophobicContact CG-CD2 4.2Å; E48-N64 WeakPolarHBondContact OE1-CA 3.42Å; E48-K66 HydrophobicContact CB-CG 4.35Å; E48-K66 HydrophobicContact CG-CG 4.36Å; E48-K66 WeakPolarHBondContact OE2-CE 3.41Å; E48-V85 CarbonylContact O-C 3.57Å; E48-V85 VanDerWaalsContact O-CA 3.27Å; E48-V85 WeakPolarHBondContact O-CA 3.27Å; E48-S86 PolarHBondContact N-O 2.84Å; E48-S86 PolarHBondContact O-N 2.85Å |
| 49 | L | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.8 | 171.1 | 178 | 67.7 | 0 | 0 | 0 | 109.7 | T51 A54 L61 R63 N64 C83 V85 | L49-T51 VanDerWaalsContact CD1-O 3.29Å; L49-T51 WeakPolarHBondContact CD1-O 3.34Å; L49-A54 HydrophobicContact CD1-CB 3.93Å; L49-L61 HydrophobicContact CB-CB 4.16Å; L49-L61 HydrophobicContact CD2-CB 3.97Å; L49-L61 VanDerWaalsContact CD2-O 3.24Å; L49-L61 WeakPolarHBondContact CD2-O 3.38Å; L49-R63 WeakPolarHBondContact O-CA 3.37Å; L49-N64 PolarHBondContact O-N 2.92Å; L49-C83 HydrophobicContact CD1-CB 3.84Å; L49-V85 HydrophobicContact CD1-CG1 3.86Å |
| 50 | L | 97.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -45.3 | -177.6 | -53.6 | 178.9 | 0 | 0 | 0 | 112 | R26 E48 R63 S84 | R26-L50 HydrophobicContact CG-CD1 4.36Å; E48-L50 HydrophobicContact CG-CD2 4.2Å; L50-R63 PolarHBondContact O-NE 2.9Å; L50-R63 PolarHBondContact O-NH2 3.49Å; L50-S84 WeakPolarHBondContact CB-O 3.5Å; L50-S84 PolarHBondContact N-O 2.89Å |
| 51 | T | 97.8 | Very high | 95.7 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.8 | -177.1 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | L49 C83 S84 | L49-T51 VanDerWaalsContact CD1-O 3.29Å; L49-T51 WeakPolarHBondContact CD1-O 3.34Å; T51-C83 VanDerWaalsContact O-CA 3.32Å; T51-C83 WeakPolarHBondContact O-CA 3.21Å; T51-C83 VanDerWaalsContact O-CB 3.27Å; T51-C83 WeakPolarHBondContact O-CB 3.5Å; T51-S84 PolarHBondContact N-O 3.34Å; T51-S84 PolarHBondContact O-N 2.91Å; T51-S84 WeakPolarHBondContact OG1-CB 3.39Å; T51-S84 PolarHBondContact OG1-N 3.36Å; T51-S84 PolarHBondContact OG1-OG 3.39Å; T51-S84 VanDerWaalsContact OG1-OG 3.07Å |
| 52 | G | 97.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.3 | -157.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 53 | L | 97.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 51% | 0.508 | 23% | 0.234 | S | C | . | . | trans | -125.7 | 136.9 | 179 | -62.2 | 178.2 | 0 | 0 | 0 | 109.4 | T79 | L53-T79 VanDerWaalsContact O-CB 3.24Å; L53-T79 WeakPolarHBondContact O-CB 3.35Å; L53-T79 PolarHBondContact O-OG1 2.92Å | ||
| 54 | A | 98.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | trans | -147.2 | 158.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L49 L61 V77 F78 C83 | L49-A54 HydrophobicContact CD1-CB 3.93Å; A54-L61 HydrophobicContact CB-CD1 3.96Å; A54-L61 HydrophobicContact CB-CG 4.42Å; A54-L61 PolarHBondContact O-N 3.46Å; A54-V77 HydrophobicContact CB-CG1 3.88Å; A54-F78 CarbonylContact C-O 3.56Å; A54-F78 VanDerWaalsContact CA-O 3.29Å; A54-F78 WeakPolarHBondContact CA-O 3.07Å; A54-C83 HydrophobicContact CB-CB 4.24Å | ||
| 55 | E | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 149.5 | 178.1 | 58.5 | -178.8 | -137.3 | 0 | 0 | 111.9 | S59 F78 W80 Y149 R152 | E55-S59 CarbonylContact C-O 3.55Å; E55-S59 WeakPolarHBondContact CA-O 3.38Å; E55-S59 WeakPolarHBondContact CB-O 3.34Å; E55-F78 HydrophobicContact CG-CD1 4.46Å; E55-F78 PolarHBondContact N-O 2.84Å; E55-F78 PolarHBondContact O-N 2.77Å; E55-W80 PolarHBondContact OE1-NE1 2.97Å; E55-Y149 WeakPolarHBondContact OE1-CE1 3.33Å; E55-Y149 PolarHBondContact OE1-OH 3.32Å; E55-R152 IonicContact OE2-CZ 3.94Å; E55-R152 IonicContact OE2-NH1 3.58Å; E55-R152 PolarHBondContact OE2-NH1 3.4Å; E55-R152 IonicContact OE2-NH2 2.85Å |
| 56 | V | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109.6 | 169.8 | 174.9 | 0 | 0 | 0 | 0 | 107.5 | G58 S59 L61 I75 V77 V186 | V56-G58 PolarHBondContact O-N 2.57Å; V56-S59 PolarHBondContact N-O 3.21Å; V56-S59 WeakPolarHBondContact O-CB 3.31Å; V56-S59 PolarHBondContact O-N 3.17Å; V56-L61 HydrophobicContact CG2-CD1 4.35Å; V56-L61 HydrophobicContact CG2-CD2 3.99Å; V56-L61 HydrophobicContact CG2-CG 4.44Å; V56-I75 HydrophobicContact CG1-CG2 4.02Å; V56-I75 HydrophobicContact CG2-CG2 4.23Å; V56-V77 HydrophobicContact CG2-CB 4.48Å; V56-V77 HydrophobicContact CG2-CG2 3.93Å; V56-V186 HydrophobicContact CB-CG1 4.15Å; V56-V186 HydrophobicContact CG1-CG1 4.36Å; V56-V186 HydrophobicContact CG2-CG1 4.19Å |
| 57 | F | 95.9 | Very high | 97 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 43 | -179.9 | -46.8 | -45.3 | 0 | 0 | 0 | 113.3 | A76 T141 R144 L145 | F57-A76 HydrophobicContact CE1-CB 3.99Å; F57-T141 HydrophobicContact CB-CG2 4.44Å; F57-T141 HydrophobicContact CD1-CG2 3.31Å; F57-T141 HydrophobicContact CE1-CG2 3.56Å; F57-T141 HydrophobicContact CG-CG2 3.87Å; F57-T141 HydrophobicContact CZ-CG2 4.31Å; F57-R144 HydrophobicContact CB-CG 4.18Å; F57-L145 WeakPolarHBondContact O-CA 3.22Å |
| 58 | G | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -7.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | V56 L145 R152 | V56-G58 PolarHBondContact O-N 2.57Å; G58-L145 VanDerWaalsContact N-CD1 3.32Å; G58-R152 WeakPolarHBondContact O-CD 3.14Å; G58-R152 PolarHBondContact O-NH1 2.99Å |
| 59 | S | 96.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.1 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | E55 V56 A184 | E55-S59 CarbonylContact C-O 3.55Å; E55-S59 WeakPolarHBondContact CA-O 3.38Å; E55-S59 WeakPolarHBondContact CB-O 3.34Å; V56-S59 PolarHBondContact N-O 3.21Å; V56-S59 WeakPolarHBondContact O-CB 3.31Å; V56-S59 PolarHBondContact O-N 3.17Å; S59-A184 VanDerWaalsContact CB-O 3.25Å; S59-A184 WeakPolarHBondContact CB-O 3.31Å; S59-A184 PolarHBondContact OG-O 2.94Å |
| 60 | E | 97.3 | Very high | 96.2 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 135.3 | -177.3 | -68.6 | 172.1 | 123.3 | 0 | 0 | 111.8 | R152 | E60-R152 VanDerWaalsContact CD-CZ 3.47Å; E60-R152 IonicContact OE1-CZ 3.43Å; E60-R152 IonicContact OE1-NE 3.36Å; E60-R152 IonicContact OE1-NH2 3.28Å; E60-R152 PolarHBondContact OE1-NH2 2.97Å; E60-R152 IonicContact OE2-CZ 3.57Å; E60-R152 IonicContact OE2-NE 2.9Å; E60-R152 PolarHBondContact OE2-NE 3.48Å; E60-R152 IonicContact OE2-NH2 3.53Å |
| 61 | L | 97.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 125 | 174.8 | -61.2 | -174.4 | 0 | 0 | 0 | 110.2 | L47 L49 A54 V56 Y67 V77 V186 | L47-L61 HydrophobicContact CD2-CD1 3.82Å; L49-L61 HydrophobicContact CB-CB 4.16Å; L49-L61 HydrophobicContact CD2-CB 3.97Å; L49-L61 VanDerWaalsContact CD2-O 3.24Å; L49-L61 WeakPolarHBondContact CD2-O 3.38Å; A54-L61 HydrophobicContact CB-CD1 3.96Å; A54-L61 HydrophobicContact CB-CG 4.42Å; A54-L61 PolarHBondContact O-N 3.46Å; V56-L61 HydrophobicContact CG2-CD1 4.35Å; V56-L61 HydrophobicContact CG2-CD2 3.99Å; V56-L61 HydrophobicContact CG2-CG 4.44Å; L61-Y67 HydrophobicContact CB-CE2 4.27Å; L61-Y67 HydrophobicContact CD2-CD2 4.09Å; L61-Y67 HydrophobicContact CD2-CE1 4.3Å; L61-Y67 HydrophobicContact CD2-CE2 3.75Å; L61-V77 HydrophobicContact CD1-CG1 3.74Å; L61-V186 HydrophobicContact CD2-CG1 4.16Å; L61-V186 HydrophobicContact CD2-CG2 3.69Å |
| 62 | N | 96.7 | Very high | 95.2 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 54% | 0.535 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 131.4 | 166.8 | -64.9 | -43.4 | 0 | 0 | 0 | 111.3 | K65 Y67 | N62-K65 HydrophobicContact CB-CB 3.96Å; N62-K65 HydrophobicContact CB-CD 4.5Å; N62-K65 PolarHBondContact O-N 3.15Å; N62-Y67 WeakPolarHBondContact CB-OH 3.49Å; N62-Y67 PolarHBondContact N-OH 3.06Å |
| 63 | R | 96.7 | Very high | 94.9 | Very high | 159 Ų | 159 | 49.6 Ų | 49.6 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | B | Isolated β-bridge | trans | -59.1 | 137.7 | 175.3 | -170.6 | -179.5 | 179.9 | -171.4 | -1.6 | 111 | L49 L50 K65 | L49-R63 WeakPolarHBondContact O-CA 3.37Å; L50-R63 PolarHBondContact O-NE 2.9Å; L50-R63 PolarHBondContact O-NH2 3.49Å; R63-K65 PolarHBondContact O-N 3.32Å; R63-K65 VanDerWaalsContact O-N 3.07Å |
| 64 | N | 93.8 | Very high | 94.6 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 7.7 | -178.8 | -48.1 | -30.3 | 0 | 0 | 0 | 115.2 | E48 L49 | E48-N64 WeakPolarHBondContact OE1-CA 3.42Å; L49-N64 PolarHBondContact O-N 2.92Å |
| 65 | K | 95.9 | Very high | 94.5 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 34% | 0.335 | 25% | 0.25 | S | S | . | . | trans | -84.1 | 131.9 | 167.1 | -179.4 | 173.6 | 168.7 | -170.3 | 0 | 108.2 | N62 R63 Y67 D185 | N62-K65 HydrophobicContact CB-CB 3.96Å; N62-K65 HydrophobicContact CB-CD 4.5Å; N62-K65 PolarHBondContact O-N 3.15Å; R63-K65 PolarHBondContact O-N 3.32Å; R63-K65 VanDerWaalsContact O-N 3.07Å; K65-Y67 HydrophobicContact CB-CE2 3.97Å; K65-Y67 HydrophobicContact CD-CE1 3.76Å; K65-Y67 HydrophobicContact CD-CE2 4.4Å; K65-Y67 HydrophobicContact CG-CE1 4.17Å; K65-Y67 HydrophobicContact CG-CE2 4.02Å; K65-Y67 WeakPolarHBondContact O-CD2 3.31Å; K65-Y67 VanDerWaalsContact O-CE2 3.32Å; K65-Y67 WeakPolarHBondContact O-CE2 3.46Å; K65-D185 IonicContact NZ-OD2 3.78Å | ||
| 66 | K | 95.1 | Very high | 94.5 | Very high | 116 Ų | 116 | 49.3 Ų | 49.3 | 50% | 0.504 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.7 | 172.2 | -63.8 | -175.2 | 177.2 | -173 | 0 | 109.8 | L47 E48 | L47-K66 CarbonylContact O-C 3.56Å; L47-K66 WeakPolarHBondContact O-CA 3.34Å; E48-K66 HydrophobicContact CB-CG 4.35Å; E48-K66 HydrophobicContact CG-CG 4.36Å; E48-K66 WeakPolarHBondContact OE2-CE 3.41Å |
| 67 | Y | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.9 | 175.4 | -57.3 | -90.3 | 0 | 0 | 0 | 108.9 | Q46 L47 L61 N62 K65 V186 E187 | Q46-Y67 CarbonylContact C-O 3.58Å; Q46-Y67 VanDerWaalsContact CA-O 3.25Å; Q46-Y67 WeakPolarHBondContact CA-O 3.43Å; L47-Y67 PolarHBondContact N-O 2.99Å; L47-Y67 PolarHBondContact O-N 2.95Å; L61-Y67 HydrophobicContact CB-CE2 4.27Å; L61-Y67 HydrophobicContact CD2-CD2 4.09Å; L61-Y67 HydrophobicContact CD2-CE1 4.3Å; L61-Y67 HydrophobicContact CD2-CE2 3.75Å; N62-Y67 WeakPolarHBondContact CB-OH 3.49Å; N62-Y67 PolarHBondContact N-OH 3.06Å; K65-Y67 HydrophobicContact CB-CE2 3.97Å; K65-Y67 HydrophobicContact CD-CE1 3.76Å; K65-Y67 HydrophobicContact CD-CE2 4.4Å; K65-Y67 HydrophobicContact CG-CE1 4.17Å; K65-Y67 HydrophobicContact CG-CE2 4.02Å; K65-Y67 WeakPolarHBondContact O-CD2 3.31Å; K65-Y67 VanDerWaalsContact O-CE2 3.32Å; K65-Y67 WeakPolarHBondContact O-CE2 3.46Å; Y67-V186 HydrophobicContact CD1-CB 3.66Å; Y67-V186 HydrophobicContact CD1-CG1 3.78Å; Y67-V186 HydrophobicContact CD1-CG2 4.16Å; Y67-V186 HydrophobicContact CE1-CB 3.89Å; Y67-V186 HydrophobicContact CE1-CG1 4.35Å; Y67-V186 HydrophobicContact CE1-CG2 3.9Å; Y67-V186 HydrophobicContact CG-CB 4.49Å; Y67-V186 HydrophobicContact CG-CG1 4.13Å; Y67-E187 HydrophobicContact CD1-CG 4.26Å |
| 68 | T | 94.2 | Very high | 94.6 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.7 | -174.2 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | K44 V45 Q46 E187 | K44-T68 HydrophobicContact CB-CG2 4.24Å; K44-T68 HydrophobicContact CD-CG2 4.28Å; V45-T68 CarbonylContact O-C 3.55Å; V45-T68 WeakPolarHBondContact O-CA 3.45Å; Q46-T68 HydrophobicContact CG-CG2 4.28Å; T68-E187 WeakPolarHBondContact CA-OE1 3.21Å; T68-E187 PolarHBondContact N-OE1 3.49Å |
| 69 | F | 93.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.6 | 179.6 | -61.3 | -78.2 | 0 | 0 | 0 | 111.9 | F37 V39 V45 L47 I75 V186 | F37-F69 HydrophobicContact CE2-CD2 4.02Å; F37-F69 HydrophobicContact CE2-CG 4.39Å; F37-F69 AromaticContact CZ-CD2 3.67Å; F37-F69 HydrophobicContact CZ-CD2 3.67Å; F37-F69 AromaticContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CG 4.3Å; V39-F69 HydrophobicContact CG2-CB 3.91Å; V45-F69 PolarHBondContact N-O 3.07Å; V45-F69 PolarHBondContact O-N 3.46Å; L47-F69 HydrophobicContact CB-CD2 4.36Å; L47-F69 HydrophobicContact CB-CE2 3.71Å; L47-F69 HydrophobicContact CD2-CE2 3.95Å; L47-F69 HydrophobicContact CD2-CZ 4.33Å; F69-I75 HydrophobicContact CD1-CD1 3.45Å; F69-I75 VanDerWaalsContact CD1-CD1 3.45Å; F69-I75 HydrophobicContact CD1-CG1 3.6Å; F69-I75 HydrophobicContact CD2-CG1 4.46Å; F69-I75 HydrophobicContact CE1-CD1 3.54Å; F69-I75 HydrophobicContact CE1-CG1 3.83Å; F69-I75 HydrophobicContact CE1-CG2 4.19Å; F69-I75 HydrophobicContact CG-CD1 4.28Å; F69-I75 HydrophobicContact CG-CG1 3.93Å; F69-I75 HydrophobicContact CZ-CD1 4.42Å; F69-I75 HydrophobicContact CZ-CG1 4.33Å; F69-I75 HydrophobicContact CZ-CG2 4.05Å; F69-V186 HydrophobicContact CE1-CG1 3.86Å; F69-V186 HydrophobicContact CZ-CG1 3.57Å |
| 70 | P | 90.1 | Very high | 94.8 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 165 | 176.2 | 23.1 | -29.4 | 0 | 0 | 0 | 114 | V39 S73 R321 | V39-P70 WeakPolarHBondContact CB-O 3.37Å; V39-P70 WeakPolarHBondContact CG1-O 3.44Å; P70-S73 WeakPolarHBondContact CD-OG 3.39Å; P70-S73 WeakPolarHBondContact CG-OG 3.48Å; P70-S73 VanDerWaalsContact O-CB 3.24Å; P70-S73 WeakPolarHBondContact O-CB 3.34Å; P70-S73 PolarHBondContact O-N 2.89Å; P70-S73 PolarHBondContact O-OG 3.49Å; P70-R321 VanDerWaalsContact CB-NH2 3.28Å |
| 71 | P | 88.1 | Confident | 94.8 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 141.3 | 169.2 | -21.6 | 26.5 | 0 | 0 | 0 | 112.1 | E43 S73 | E43-P71 VanDerWaalsContact O-CA 3.32Å; E43-P71 WeakPolarHBondContact O-CA 3.44Å; E43-P71 WeakPolarHBondContact O-CD 3.41Å; E43-P71 WeakPolarHBondContact O-CG 3.35Å; E43-P71 VanDerWaalsContact O-N 3.16Å; P71-S73 PolarHBondContact O-N 3.13Å |
| 72 | G | 86.1 | Confident | 94.8 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 1.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V39 | V39-G72 PolarHBondContact O-N 3.18Š|
| 73 | S | 90.7 | Very high | 94.9 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | trans | -64.1 | 137.6 | 174.3 | -61 | 0 | 0 | 0 | 0 | 111.1 | E38 V39 P70 P71 | E38-S73 WeakPolarHBondContact CA-O 3.42Å; V39-S73 PolarHBondContact N-O 2.97Å; P70-S73 WeakPolarHBondContact CD-OG 3.39Å; P70-S73 WeakPolarHBondContact CG-OG 3.48Å; P70-S73 VanDerWaalsContact O-CB 3.24Å; P70-S73 WeakPolarHBondContact O-CB 3.34Å; P70-S73 PolarHBondContact O-N 2.89Å; P70-S73 PolarHBondContact O-OG 3.49Å; P71-S73 PolarHBondContact O-N 3.13Å | ||
| 74 | K | 92.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 109.6 | 177.1 | -63.3 | 171.5 | 164.2 | 34.6 | 0 | 108.1 | E38 V298 | E38-K74 HydrophobicContact CG-CG 3.98Å; E38-K74 WeakPolarHBondContact OE2-CE 3.49Å; E38-K74 IonicContact OE2-NZ 2.74Å; E38-K74 PolarHBondContact OE2-NZ 2.84Å; K74-V298 HydrophobicContact CD-CB 3.84Å; K74-V298 HydrophobicContact CD-CG1 4.4Å; K74-V298 HydrophobicContact CD-CG2 3.95Å |
| 75 | I | 95.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.2 | -166.6 | -52.3 | -62.4 | 0 | 0 | 0 | 110.1 | R36 F37 V56 F69 V77 | R36-I75 WeakPolarHBondContact CA-O 3.46Å; F37-I75 HydrophobicContact CD1-CB 4.14Å; F37-I75 HydrophobicContact CD1-CG2 4.47Å; F37-I75 HydrophobicContact CD2-CB 4.44Å; F37-I75 HydrophobicContact CE1-CB 3.59Å; F37-I75 HydrophobicContact CE1-CG1 4.39Å; F37-I75 HydrophobicContact CE1-CG2 3.6Å; F37-I75 HydrophobicContact CE2-CB 3.92Å; F37-I75 HydrophobicContact CE2-CG1 3.91Å; F37-I75 HydrophobicContact CZ-CB 3.47Å; F37-I75 VanDerWaalsContact CZ-CB 3.47Å; F37-I75 HydrophobicContact CZ-CG1 3.75Å; F37-I75 HydrophobicContact CZ-CG2 3.67Å; F37-I75 PolarHBondContact N-O 3.34Å; F37-I75 PolarHBondContact O-N 2.87Å; V56-I75 HydrophobicContact CG1-CG2 4.02Å; V56-I75 HydrophobicContact CG2-CG2 4.23Å; F69-I75 HydrophobicContact CD1-CD1 3.45Å; F69-I75 VanDerWaalsContact CD1-CD1 3.45Å; F69-I75 HydrophobicContact CD1-CG1 3.6Å; F69-I75 HydrophobicContact CD2-CG1 4.46Å; F69-I75 HydrophobicContact CE1-CD1 3.54Å; F69-I75 HydrophobicContact CE1-CG1 3.83Å; F69-I75 HydrophobicContact CE1-CG2 4.19Å; F69-I75 HydrophobicContact CG-CD1 4.28Å; F69-I75 HydrophobicContact CG-CG1 3.93Å; F69-I75 HydrophobicContact CZ-CD1 4.42Å; F69-I75 HydrophobicContact CZ-CG1 4.33Å; F69-I75 HydrophobicContact CZ-CG2 4.05Å; I75-V77 HydrophobicContact CG2-CG2 4.23Å |
| 76 | A | 97.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L35 R36 F57 | L35-A76 CarbonylContact O-C 3.58Å; L35-A76 WeakPolarHBondContact O-CA 3.34Å; R36-A76 HydrophobicContact CG-CB 4.43Å; F57-A76 HydrophobicContact CE1-CB 3.99Å |
| 77 | V | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 108 | 175.4 | -176 | 0 | 0 | 0 | 0 | 107.5 | L29 E34 L35 F37 L47 A54 V56 L61 I75 V85 | L29-V77 WeakPolarHBondContact CD2-O 3.35Å; E34-V77 CarbonylContact C-O 3.54Å; E34-V77 WeakPolarHBondContact CA-O 3.44Å; E34-V77 WeakPolarHBondContact CB-O 3.45Å; L35-V77 HydrophobicContact CB-CB 4.34Å; L35-V77 PolarHBondContact N-O 3.33Å; L35-V77 PolarHBondContact O-N 2.89Å; F37-V77 HydrophobicContact CE1-CG2 3.96Å; L47-V77 HydrophobicContact CD1-CG2 4.13Å; L47-V77 HydrophobicContact CD2-CG2 3.48Å; L47-V77 VanDerWaalsContact CD2-CG2 3.48Å; L47-V77 HydrophobicContact CG-CG2 4.48Å; A54-V77 HydrophobicContact CB-CG1 3.88Å; V56-V77 HydrophobicContact CG2-CB 4.48Å; V56-V77 HydrophobicContact CG2-CG2 3.93Å; L61-V77 HydrophobicContact CD1-CG1 3.74Å; I75-V77 HydrophobicContact CG2-CG2 4.23Å; V77-V85 HydrophobicContact CG1-CG1 4.32Å |
| 78 | F | 98.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 149.5 | -175.8 | -178.7 | -89.9 | 0 | 0 | 0 | 111.2 | E32 T33 E34 A54 E55 W80 T100 M102 | E32-F78 HydrophobicContact CB-CZ 4.39Å; T33-F78 WeakPolarHBondContact O-CD2 3.42Å; E34-F78 HydrophobicContact CB-CB 4.06Å; E34-F78 HydrophobicContact CB-CD2 3.97Å; A54-F78 CarbonylContact C-O 3.56Å; A54-F78 VanDerWaalsContact CA-O 3.29Å; A54-F78 WeakPolarHBondContact CA-O 3.07Å; E55-F78 HydrophobicContact CG-CD1 4.46Å; E55-F78 PolarHBondContact N-O 2.84Å; E55-F78 PolarHBondContact O-N 2.77Å; F78-W80 HydrophobicContact CD1-CD2 4.44Å; F78-W80 AromaticContact CE1-CD2 3.47Å; F78-W80 HydrophobicContact CE1-CD2 3.47Å; F78-W80 VanDerWaalsContact CE1-CD2 3.47Å; F78-W80 AromaticContact CE1-CE2 3.47Å; F78-W80 VanDerWaalsContact CE1-CE2 3.47Å; F78-W80 AromaticContact CE1-CE3 3.76Å; F78-W80 HydrophobicContact CE1-CE3 3.76Å; F78-W80 AromaticContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CH2 4.08Å; F78-W80 AromaticContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ3 4.05Å; F78-W80 AromaticContact CE1-NE1 3.82Å; F78-W80 HydrophobicContact CZ-CD2 4.2Å; F78-W80 HydrophobicContact CZ-CE3 4.02Å; F78-W80 HydrophobicContact CZ-CH2 4.19Å; F78-W80 HydrophobicContact CZ-CZ2 4.36Å; F78-W80 HydrophobicContact CZ-CZ3 4Å; F78-T100 HydrophobicContact CD2-CG2 4.44Å; F78-T100 HydrophobicContact CE2-CG2 4.35Å; F78-M102 HydrophobicContact CB-CE 4.34Å; F78-M102 HydrophobicContact CD1-CE 3.68Å; F78-M102 HydrophobicContact CD1-CG 4.4Å; F78-M102 HydrophobicContact CD2-CB 4.19Å; F78-M102 HydrophobicContact CD2-CE 4.41Å; F78-M102 HydrophobicContact CD2-CG 3.57Å; F78-M102 HydrophobicContact CE1-CB 4.24Å; F78-M102 HydrophobicContact CE1-CE 4.07Å; F78-M102 HydrophobicContact CE1-CG 4.39Å; F78-M102 HydrophobicContact CE2-CB 3.66Å; F78-M102 HydrophobicContact CE2-CG 3.57Å; F78-M102 HydrophobicContact CG-CE 3.88Å; F78-M102 HydrophobicContact CG-CG 4.01Å; F78-M102 HydrophobicContact CZ-CB 3.67Å; F78-M102 HydrophobicContact CZ-CG 3.99Å |
| 79 | T | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133.4 | 171.7 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | L29 E30 E32 T33 L53 Q81 G82 | L29-T79 HydrophobicContact CB-CG2 3.67Å; L29-T79 HydrophobicContact CD2-CG2 4.2Å; E30-T79 VanDerWaalsContact O-CG2 3.27Å; E30-T79 WeakPolarHBondContact O-CG2 3.43Å; E32-T79 VanDerWaalsContact CA-O 3.31Å; E32-T79 WeakPolarHBondContact CA-O 3.29Å; E32-T79 PolarHBondContact N-O 2.77Å; T33-T79 PolarHBondContact O-N 3.07Å; L53-T79 VanDerWaalsContact O-CB 3.24Å; L53-T79 WeakPolarHBondContact O-CB 3.35Å; L53-T79 PolarHBondContact O-OG1 2.92Å; T79-Q81 PolarHBondContact OG1-N 3.21Å; T79-G82 VanDerWaalsContact OG1-C 3.32Å; T79-G82 WeakPolarHBondContact OG1-CA 3.47Å; T79-G82 PolarHBondContact OG1-N 2.81Å; T79-G82 PolarHBondContact OG1-O 3.43Å |
| 80 | W | 97.9 | Very high | 95.3 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 24% | 0.242 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -79.9 | -26.6 | 172.4 | -69.3 | 105.4 | 0 | 0 | 0 | 113.2 | E32 E55 F78 M102 L103 L106 Y149 | E32-W80 HydrophobicContact CG-CE3 4.35Å; E55-W80 PolarHBondContact OE1-NE1 2.97Å; F78-W80 HydrophobicContact CD1-CD2 4.44Å; F78-W80 AromaticContact CE1-CD2 3.47Å; F78-W80 HydrophobicContact CE1-CD2 3.47Å; F78-W80 VanDerWaalsContact CE1-CD2 3.47Å; F78-W80 AromaticContact CE1-CE2 3.47Å; F78-W80 VanDerWaalsContact CE1-CE2 3.47Å; F78-W80 AromaticContact CE1-CE3 3.76Å; F78-W80 HydrophobicContact CE1-CE3 3.76Å; F78-W80 AromaticContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CH2 4.08Å; F78-W80 AromaticContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ3 4.05Å; F78-W80 AromaticContact CE1-NE1 3.82Å; F78-W80 HydrophobicContact CZ-CD2 4.2Å; F78-W80 HydrophobicContact CZ-CE3 4.02Å; F78-W80 HydrophobicContact CZ-CH2 4.19Å; F78-W80 HydrophobicContact CZ-CZ2 4.36Å; F78-W80 HydrophobicContact CZ-CZ3 4Å; W80-M102 HydrophobicContact CH2-CB 4.03Å; W80-M102 HydrophobicContact CZ2-CB 4.38Å; W80-M102 HydrophobicContact CZ2-CE 4.07Å; W80-L103 HydrophobicContact CH2-CD2 4.32Å; W80-L103 HydrophobicContact CZ3-CD2 3.76Å; W80-L103 HydrophobicContact CZ3-CG 4.3Å; W80-L106 HydrophobicContact CH2-CB 3.81Å; W80-L106 HydrophobicContact CH2-CD2 3.6Å; W80-L106 HydrophobicContact CH2-CG 4.28Å; W80-L106 HydrophobicContact CZ2-CB 4.04Å; W80-L106 HydrophobicContact CZ2-CD2 3.9Å; W80-L106 HydrophobicContact CZ2-CG 4.37Å; W80-L106 HydrophobicContact CZ3-CD2 3.96Å; W80-Y149 WeakPolarHBondContact CZ2-OH 3.39Å; W80-Y149 PolarHBondContact NE1-OH 2.7Å |
| 81 | Q | 97.6 | Very high | 95.6 | Very high | 147 Ų | 147 | 35.4 Ų | 35.4 | 69% | 0.687 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -121.7 | -10.2 | -168.1 | -64.4 | -177.9 | -2.8 | 0 | 0 | 113.7 | T79 | T79-Q81 PolarHBondContact OG1-N 3.21Š|
| 82 | G | 97.9 | Very high | 95.8 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | trans | 100.2 | 144.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L29 T79 | L29-G82 WeakPolarHBondContact O-CA 3.23Å; T79-G82 VanDerWaalsContact OG1-C 3.32Å; T79-G82 WeakPolarHBondContact OG1-CA 3.47Å; T79-G82 PolarHBondContact OG1-N 2.81Å; T79-G82 PolarHBondContact OG1-O 3.43Å | ||
| 83 | C | 98.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 164.6 | 178.8 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | L29 L49 T51 A54 | L29-C83 PolarHBondContact N-O 3.41Å; L29-C83 PolarHBondContact O-N 2.91Å; L49-C83 HydrophobicContact CD1-CB 3.84Å; T51-C83 VanDerWaalsContact O-CA 3.32Å; T51-C83 WeakPolarHBondContact O-CA 3.21Å; T51-C83 VanDerWaalsContact O-CB 3.27Å; T51-C83 WeakPolarHBondContact O-CB 3.5Å; A54-C83 HydrophobicContact CB-CB 4.24Å |
| 84 | S | 98.2 | Very high | 96.4 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.4 | 166.4 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | R26 F27 D28 L50 T51 | R26-S84 PolarHBondContact NH2-OG 3.05Å; F27-S84 WeakPolarHBondContact O-CA 3.42Å; D28-S84 WeakPolarHBondContact OD1-CB 3.35Å; D28-S84 PolarHBondContact OD1-OG 3.34Å; L50-S84 WeakPolarHBondContact CB-O 3.5Å; L50-S84 PolarHBondContact N-O 2.89Å; T51-S84 PolarHBondContact N-O 3.34Å; T51-S84 PolarHBondContact O-N 2.91Å; T51-S84 WeakPolarHBondContact OG1-CB 3.39Å; T51-S84 PolarHBondContact OG1-N 3.36Å; T51-S84 PolarHBondContact OG1-OG 3.39Å; T51-S84 VanDerWaalsContact OG1-OG 3.07Å |
| 85 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.6 | 177.4 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | R26 F27 L29 L35 L47 E48 L49 V77 | R26-V85 CarbonylContact C-O 3.29Å; R26-V85 WeakPolarHBondContact CA-O 2.85Å; F27-V85 HydrophobicContact CB-CG2 3.94Å; F27-V85 PolarHBondContact N-O 3.19Å; F27-V85 PolarHBondContact O-N 3.03Å; L29-V85 HydrophobicContact CD1-CG2 4.01Å; L35-V85 HydrophobicContact CD2-CG2 3.5Å; L47-V85 HydrophobicContact CD1-CB 3.86Å; L47-V85 HydrophobicContact CD1-CG1 4.37Å; L47-V85 HydrophobicContact CD1-CG2 4.08Å; E48-V85 CarbonylContact O-C 3.57Å; E48-V85 VanDerWaalsContact O-CA 3.27Å; E48-V85 WeakPolarHBondContact O-CA 3.27Å; L49-V85 HydrophobicContact CD1-CG1 3.86Å; V77-V85 HydrophobicContact CG1-CG1 4.32Å |
| 86 | S | 97.9 | Very high | 96.6 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.8 | 172.8 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | T25 L47 E48 | T25-S86 WeakPolarHBondContact O-CA 3.48Å; L47-S86 CarbonylContact C-O 3.6Å; L47-S86 WeakPolarHBondContact CA-O 3.45Å; E48-S86 PolarHBondContact N-O 2.84Å; E48-S86 PolarHBondContact O-N 2.85Å |
| 87 | L | 97.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.6 | 171.4 | -75.4 | -177.5 | 0 | 0 | 0 | 110.3 | G24 T25 F27 L35 F37 V45 Q46 L47 A94 | G24-L87 CarbonylContact C-O 3.51Å; G24-L87 WeakPolarHBondContact CA-O 3.12Å; T25-L87 PolarHBondContact N-O 2.89Å; T25-L87 PolarHBondContact O-N 3.44Å; F27-L87 HydrophobicContact CD2-CB 4.48Å; F27-L87 HydrophobicContact CD2-CD1 4.19Å; F27-L87 HydrophobicContact CD2-CG 4.29Å; F27-L87 HydrophobicContact CE2-CB 4.07Å; F27-L87 HydrophobicContact CE2-CD1 3.74Å; F27-L87 HydrophobicContact CE2-CG 4.13Å; F27-L87 HydrophobicContact CZ-CD1 4.42Å; L35-L87 HydrophobicContact CD2-CD1 3.71Å; L35-L87 HydrophobicContact CD2-CG 4.09Å; L35-L87 HydrophobicContact CG-CD1 4.39Å; F37-L87 HydrophobicContact CB-CD1 4.13Å; F37-L87 HydrophobicContact CD1-CD1 3.92Å; F37-L87 HydrophobicContact CD1-CD2 4.2Å; F37-L87 HydrophobicContact CE1-CD1 4.46Å; F37-L87 HydrophobicContact CE1-CD2 3.92Å; F37-L87 HydrophobicContact CE2-CD2 4.35Å; F37-L87 HydrophobicContact CG-CD1 3.96Å; F37-L87 HydrophobicContact CZ-CD2 4Å; V45-L87 HydrophobicContact CG1-CD2 3.77Å; Q46-L87 CarbonylContact O-C 3.43Å; Q46-L87 WeakPolarHBondContact O-CA 3.44Å; L47-L87 HydrophobicContact CB-CD2 3.9Å; L47-L87 HydrophobicContact CD1-CD2 3.45Å; L47-L87 VanDerWaalsContact CD1-CD2 3.45Å; L47-L87 HydrophobicContact CD1-CG 4.14Å; L47-L87 HydrophobicContact CG-CD2 4.27Å; L87-A94 HydrophobicContact CD1-CB 4.37Å |
| 88 | S | 96.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.9 | 176.7 | -50.2 | 0 | 0 | 0 | 0 | 110.2 | G24 V45 Q46 | G24-S88 VanDerWaalsContact CA-OG 3.27Å; G24-S88 WeakPolarHBondContact CA-OG 3.49Å; V45-S88 CarbonylContact C-O 3.43Å; V45-S88 WeakPolarHBondContact CA-O 3.2Å; Q46-S88 PolarHBondContact N-O 3.33Å; Q46-S88 PolarHBondContact O-N 2.92Å |
| 89 | G | 93.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 115 | 176.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 90 | K | 93.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 57.9 Ų | 57.9 | 47% | 0.47 | 31% | 0.312 | S | S | . | . | trans | -90.5 | 128.1 | -176.9 | -57.1 | -174.9 | -167.4 | 151.6 | 0 | 112 | E40 E43 V45 | E40-K90 HydrophobicContact CB-CB 4.32Å; E40-K90 PolarHBondContact N-O 2.85Å; E40-K90 WeakPolarHBondContact OE2-CB 3.37Å; E40-K90 VanDerWaalsContact OE2-CD 3.31Å; E40-K90 WeakPolarHBondContact OE2-CD 3.35Å; E43-K90 HydrophobicContact CB-CB 4.35Å; E43-K90 HydrophobicContact CG-CB 4.12Å; E43-K90 HydrophobicContact CG-CD 4.1Å; E43-K90 HydrophobicContact CG-CG 4.47Å; E43-K90 WeakPolarHBondContact OE1-CE 3.39Å; E43-K90 IonicContact OE1-NZ 2.93Å; E43-K90 PolarHBondContact OE1-NZ 3.28Å; V45-K90 WeakPolarHBondContact CG2-O 3.27Å | ||
| 91 | T | 94.6 | Very high | 96 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.7 | 175.1 | 53.3 | 0 | 0 | 0 | 0 | 109.4 | F37 E38 V45 V93 A94 | F37-T91 HydrophobicContact CB-CG2 4.28Å; F37-T91 HydrophobicContact CD2-CG2 4.25Å; E38-T91 CarbonylContact O-C 3.54Å; E38-T91 WeakPolarHBondContact O-CA 3.45Å; E38-T91 WeakPolarHBondContact O-CB 3.45Å; V45-T91 HydrophobicContact CG1-CG2 4.27Å; V45-T91 HydrophobicContact CG2-CG2 3.73Å; T91-V93 VanDerWaalsContact C-N 3.32Å; T91-A94 HydrophobicContact CG2-CB 4.43Å |
| 92 | E | 92.3 | Very high | 96 | Very high | 144 Ų | 144 | 49.1 Ų | 49.1 | 67% | 0.673 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -40.1 | 170.5 | -176.9 | 173.6 | 179.2 | 0 | 0 | 110.5 | E38 | E38-E92 HydrophobicContact CB-CB 4.41Å; E38-E92 PolarHBondContact O-N 3.43Å |
| 93 | V | 93.4 | Very high | 96 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 33% | 0.327 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 144.6 | 173.7 | 72.5 | 0 | 0 | 0 | 0 | 109.8 | F37 E38 T91 Y95 | F37-V93 CarbonylContact C-O 3.47Å; F37-V93 WeakPolarHBondContact CA-O 3.43Å; F37-V93 WeakPolarHBondContact CB-O 3.28Å; E38-V93 HydrophobicContact CB-CG1 3.98Å; E38-V93 HydrophobicContact CG-CG1 3.73Å; E38-V93 PolarHBondContact N-O 3.38Å; T91-V93 VanDerWaalsContact C-N 3.32Å; V93-Y95 HydrophobicContact CG2-CD1 3.81Å; V93-Y95 HydrophobicContact CG2-CE1 4.17Å |
| 94 | A | 96.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 26% | 0.264 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 120 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | F27 R36 F37 L87 T91 | F27-A94 HydrophobicContact CZ-CB 4Å; R36-A94 CarbonylContact O-C 3.58Å; R36-A94 VanDerWaalsContact O-CA 3.31Å; R36-A94 WeakPolarHBondContact O-CA 3.48Å; F37-A94 HydrophobicContact CB-CB 3.92Å; L87-A94 HydrophobicContact CD1-CB 4.37Å; T91-A94 HydrophobicContact CG2-CB 4.43Å |
| 95 | Y | 96.3 | Very high | 95.9 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 37% | 0.373 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 153 | -178.4 | 66.4 | -82.4 | 0 | 0 | 0 | 112.2 | R36 V93 | R36-Y95 HydrophobicContact CB-CD1 4.37Å; R36-Y95 HydrophobicContact CB-CE1 3.96Å; R36-Y95 HydrophobicContact CB-CE2 4.3Å; R36-Y95 VanDerWaalsContact CD-OH 3.27Å; R36-Y95 WeakPolarHBondContact CD-OH 3.3Å; R36-Y95 PolarHBondContact N-O 3.44Å; R36-Y95 PolarHBondContact O-N 3.49Å; V93-Y95 HydrophobicContact CG2-CD1 3.81Å; V93-Y95 HydrophobicContact CG2-CE1 4.17Å |
| 96 | V | 97.7 | Very high | 95.9 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.7 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | F27 L29 E34 L35 | F27-V96 HydrophobicContact CD1-CG2 4.21Å; L29-V96 HydrophobicContact CD1-CG2 4.44Å; L29-V96 HydrophobicContact CG-CG2 4.45Å; E34-V96 CarbonylContact O-C 3.6Å; E34-V96 WeakPolarHBondContact O-CA 3.27Å; L35-V96 HydrophobicContact CD1-CG2 4.2Å |
| 97 | S | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.119 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.5 | 176.6 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | T33 E34 R36 D99 | T33-S97 WeakPolarHBondContact CA-O 3.36Å; T33-S97 WeakPolarHBondContact CB-O 3.3Å; E34-S97 PolarHBondContact N-O 3.31Å; E34-S97 PolarHBondContact O-N 3.49Å; R36-S97 PolarHBondContact NH1-OG 2.99Å; R36-S97 PolarHBondContact NH2-OG 2.87Å; S97-D99 PolarHBondContact OG-N 3.18Å |
| 98 | K | 95.3 | Very high | 96 | Very high | 141 Ų | 141 | 63.2 Ų | 63.2 | 61% | 0.613 | 34% | 0.342 | S | S | * | . | trans | -93.9 | -19.8 | 170.9 | -49.6 | -161.8 | -177.5 | -164.4 | 0 | 112.4 | E30 T33 T100 | E30-K98 IonicContact OE1-NZ 2.98Å; E30-K98 IonicContact OE2-NZ 2.86Å; E30-K98 PolarHBondContact OE2-NZ 3.47Å; T33-K98 HydrophobicContact CG2-CB 4.26Å; T33-K98 HydrophobicContact CG2-CD 4.32Å; T33-K98 HydrophobicContact CG2-CG 3.78Å; K98-T100 PolarHBondContact O-N 2.91Å | ||
| 99 | D | 93.6 | Very high | 96.1 | Very high | 129 Ų | 129 | 61.9 Ų | 61.9 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | trans | -86.8 | 96.5 | -178.6 | -175.7 | 24 | 0 | 0 | 0 | 109.9 | R36 S97 | R36-D99 PolarHBondContact NH2-O 2.76Å; S97-D99 PolarHBondContact OG-N 3.18Å | ||
| 100 | T | 95.2 | Very high | 96.4 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 17% | 0.166 | 33% | 0.326 | C | S | . | . | trans | -136 | 142.2 | -177.9 | 82 | 0 | 0 | 0 | 0 | 111.2 | E34 F78 K98 M102 | E34-T100 HydrophobicContact CB-CG2 4.47Å; E34-T100 HydrophobicContact CG-CG2 3.6Å; F78-T100 HydrophobicContact CD2-CG2 4.44Å; F78-T100 HydrophobicContact CE2-CG2 4.35Å; K98-T100 PolarHBondContact O-N 2.91Å; T100-M102 PolarHBondContact O-N 3.35Å | ||
| 101 | P | 96.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -80.9 | 14.3 | 173.3 | 33 | -36.5 | 0 | 0 | 0 | 113.6 | L103 L104 Y105 P292 | P101-L103 VanDerWaalsContact C-N 3.32Å; P101-L103 PolarHBondContact O-N 2.92Å; P101-L104 WeakPolarHBondContact O-CB 3.45Å; P101-L104 PolarHBondContact O-N 3.42Å; P101-Y105 HydrophobicContact CB-CE1 4.14Å; P101-Y105 HydrophobicContact CB-CE2 4.04Å; P101-Y105 HydrophobicContact CG-CD2 4.34Å; P101-Y105 HydrophobicContact CG-CE1 4.3Å; P101-Y105 HydrophobicContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CZ 3.44Å; P101-Y105 VanDerWaalsContact CG-OH 3.3Å; P101-Y105 WeakPolarHBondContact CG-OH 3.26Å; P101-Y105 PolarHBondContact O-N 3.49Å; P101-Y105 VanDerWaalsContact O-N 3.11Å; P101-P292 HydrophobicContact CB-CG 3.95Å |
| 102 | M | 97.5 | Very high | 96.8 | Very high | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.069 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -36.4 | -170.8 | -75.5 | -66.8 | -69.2 | 0 | 0 | 113.5 | F78 W80 T100 L104 Y105 L106 L145 Y149 | F78-M102 HydrophobicContact CB-CE 4.34Å; F78-M102 HydrophobicContact CD1-CE 3.68Å; F78-M102 HydrophobicContact CD1-CG 4.4Å; F78-M102 HydrophobicContact CD2-CB 4.19Å; F78-M102 HydrophobicContact CD2-CE 4.41Å; F78-M102 HydrophobicContact CD2-CG 3.57Å; F78-M102 HydrophobicContact CE1-CB 4.24Å; F78-M102 HydrophobicContact CE1-CE 4.07Å; F78-M102 HydrophobicContact CE1-CG 4.39Å; F78-M102 HydrophobicContact CE2-CB 3.66Å; F78-M102 HydrophobicContact CE2-CG 3.57Å; F78-M102 HydrophobicContact CG-CE 3.88Å; F78-M102 HydrophobicContact CG-CG 4.01Å; F78-M102 HydrophobicContact CZ-CB 3.67Å; F78-M102 HydrophobicContact CZ-CG 3.99Å; W80-M102 HydrophobicContact CH2-CB 4.03Å; W80-M102 HydrophobicContact CZ2-CB 4.38Å; W80-M102 HydrophobicContact CZ2-CE 4.07Å; T100-M102 PolarHBondContact O-N 3.35Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.92Å; M102-Y105 PolarHBondContact O-N 3.43Å; M102-Y105 HydrophobicContact SD-CD2 3.99Å; M102-L106 WeakPolarHBondContact O-CB 3.48Å; M102-L106 PolarHBondContact O-N 2.86Å; M102-L145 HydrophobicContact CE-CD1 4.04Å; M102-L145 HydrophobicContact CE-CD2 4.17Å; M102-L145 HydrophobicContact SD-CD2 3.79Å; M102-Y149 VanDerWaalsContact CE-OH 3.26Å; M102-Y149 WeakPolarHBondContact CE-OH 3.27Å |
| 103 | L | 96.9 | Very high | 97.1 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 174.1 | -76.5 | 170.7 | 0 | 0 | 0 | 112.3 | W80 P101 L106 N107 | W80-L103 HydrophobicContact CH2-CD2 4.32Å; W80-L103 HydrophobicContact CZ3-CD2 3.76Å; W80-L103 HydrophobicContact CZ3-CG 4.3Å; P101-L103 VanDerWaalsContact C-N 3.32Å; P101-L103 PolarHBondContact O-N 2.92Å; L103-L106 PolarHBondContact O-N 2.81Å; L103-N107 WeakPolarHBondContact O-CB 3.34Å; L103-N107 PolarHBondContact O-N 2.79Å; L103-N107 PolarHBondContact O-ND2 3.11Å |
| 104 | L | 97.7 | Very high | 97.4 | Very high | 78 Ų | 78 | 54.6 Ų | 54.6 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 176.8 | -63.4 | 173.9 | 0 | 0 | 0 | 111.2 | P101 M102 N107 T108 L291 P292 | P101-L104 WeakPolarHBondContact O-CB 3.45Å; P101-L104 PolarHBondContact O-N 3.42Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.92Å; L104-N107 PolarHBondContact O-N 3.27Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.44Å; L104-T108 PolarHBondContact O-OG1 3.41Å; L104-L291 HydrophobicContact CB-CD2 4.28Å; L104-P292 HydrophobicContact CD1-CG 3.57Å |
| 105 | Y | 98.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 55 Ų | 55 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 175.2 | -57.8 | -26 | 0 | 0 | 0 | 112.2 | P101 M102 T108 H109 V142 L145 L291 P292 | P101-Y105 HydrophobicContact CB-CE1 4.14Å; P101-Y105 HydrophobicContact CB-CE2 4.04Å; P101-Y105 HydrophobicContact CG-CD2 4.34Å; P101-Y105 HydrophobicContact CG-CE1 4.3Å; P101-Y105 HydrophobicContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CZ 3.44Å; P101-Y105 VanDerWaalsContact CG-OH 3.3Å; P101-Y105 WeakPolarHBondContact CG-OH 3.26Å; P101-Y105 PolarHBondContact O-N 3.49Å; P101-Y105 VanDerWaalsContact O-N 3.11Å; M102-Y105 PolarHBondContact O-N 3.43Å; M102-Y105 HydrophobicContact SD-CD2 3.99Å; Y105-T108 WeakPolarHBondContact O-CB 3.39Å; Y105-T108 PolarHBondContact O-N 3.01Å; Y105-H109 PolarHBondContact O-N 3.03Å; Y105-V142 HydrophobicContact CD1-CG2 4.44Å; Y105-V142 HydrophobicContact CE1-CG2 3.85Å; Y105-V142 HydrophobicContact CE2-CG2 4.06Å; Y105-L145 HydrophobicContact CD2-CD2 3.48Å; Y105-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y105-L145 HydrophobicContact CE2-CD2 4.44Å; Y105-L145 HydrophobicContact CG-CD2 3.9Å; Y105-L291 HydrophobicContact CD1-CD1 4.22Å; Y105-L291 HydrophobicContact CE1-CB 4.45Å; Y105-L291 HydrophobicContact CE1-CD1 4.25Å; Y105-P292 PolarHBondContact OH-O 2.95Å |
| 106 | L | 98.1 | Very high | 97.6 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.2 | -179 | 63.4 | 0 | 0 | 0 | 111.4 | W80 M102 L103 T108 H109 A110 Y149 | W80-L106 HydrophobicContact CH2-CB 3.81Å; W80-L106 HydrophobicContact CH2-CD2 3.6Å; W80-L106 HydrophobicContact CH2-CG 4.28Å; W80-L106 HydrophobicContact CZ2-CB 4.04Å; W80-L106 HydrophobicContact CZ2-CD2 3.9Å; W80-L106 HydrophobicContact CZ2-CG 4.37Å; W80-L106 HydrophobicContact CZ3-CD2 3.96Å; M102-L106 WeakPolarHBondContact O-CB 3.48Å; M102-L106 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 2.81Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.28Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.22Å; L106-A110 PolarHBondContact O-N 3.49Å; L106-Y149 HydrophobicContact CD1-CD2 4.42Å; L106-Y149 HydrophobicContact CD1-CE2 4.1Å |
| 107 | N | 98.4 | Very high | 97.6 | Very high | 102 Ų | 102 | 54 Ų | 54 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.9 | -72.3 | -17.7 | 0 | 0 | 0 | 111.7 | L103 L104 A110 A111 | L103-N107 WeakPolarHBondContact O-CB 3.34Å; L103-N107 PolarHBondContact O-N 2.79Å; L103-N107 PolarHBondContact O-ND2 3.11Å; L104-N107 PolarHBondContact O-N 3.27Å; N107-A110 PolarHBondContact O-N 2.95Å; N107-A111 PolarHBondContact O-N 3.28Å |
| 108 | T | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 173.8 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | L104 Y105 L106 A110 A111 L112 L146 L267 | L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.44Å; L104-T108 PolarHBondContact O-OG1 3.41Å; Y105-T108 WeakPolarHBondContact O-CB 3.39Å; Y105-T108 PolarHBondContact O-N 3.01Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.28Å; T108-A110 PolarHBondContact O-N 2.85Å; T108-A111 PolarHBondContact O-N 2.85Å; T108-L112 HydrophobicContact CG2-CD1 4.32Å; T108-L112 VanDerWaalsContact O-CG 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.27Å; T108-L112 PolarHBondContact O-N 2.93Å; T108-L146 HydrophobicContact CG2-CD2 4.3Å; T108-L267 HydrophobicContact CG2-CD1 3.81Å; T108-L267 HydrophobicContact CG2-CD2 3.88Å |
| 109 | H | 98.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 176 | 170.6 | 72 | 0 | 0 | 0 | 112.5 | Y105 L106 A111 L112 E113 L146 Y149 A150 L153 | Y105-H109 PolarHBondContact O-N 3.03Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.25Å; H109-A111 VanDerWaalsContact C-N 3.33Å; H109-A111 PolarHBondContact O-N 3.23Å; H109-L112 PolarHBondContact O-N 3.25Å; H109-E113 PolarHBondContact O-N 2.79Å; H109-L146 HydrophobicContact CB-CD2 3.86Å; H109-Y149 HydrophobicContact CB-CD2 3.89Å; H109-Y149 VanDerWaalsContact CE1-CB 3.49Å; H109-Y149 WeakPolarHBondContact CE1-CB 3.31Å; H109-Y149 AromaticContact CG-CD2 3.86Å; H109-Y149 WeakPolarHBondContact ND1-CB 3.46Å; H109-A150 PolarHBondContact CE1-N 3.36Å; H109-L153 WeakPolarHBondContact NE2-CD1 3.41Å |
| 110 | A | 98.6 | Very high | 97.9 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 44% | 0.438 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L106 N107 T108 E113 Q114 | L106-A110 WeakPolarHBondContact O-CB 3.22Å; L106-A110 PolarHBondContact O-N 3.49Å; N107-A110 PolarHBondContact O-N 2.95Å; T108-A110 PolarHBondContact O-N 2.85Å; A110-E113 PolarHBondContact O-N 3.27Å; A110-Q114 PolarHBondContact O-N 3.45Å |
| 111 | A | 98.7 | Very high | 98 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N107 T108 H109 E113 Q114 M115 | N107-A111 PolarHBondContact O-N 3.28Å; T108-A111 PolarHBondContact O-N 2.85Å; H109-A111 VanDerWaalsContact C-N 3.33Å; H109-A111 PolarHBondContact O-N 3.23Å; A111-E113 VanDerWaalsContact C-N 3.34Å; A111-E113 PolarHBondContact O-N 3.35Å; A111-Q114 WeakPolarHBondContact O-CB 3.36Å; A111-Q114 PolarHBondContact O-N 3.33Å; A111-M115 WeakPolarHBondContact O-CG 3.47Å; A111-M115 PolarHBondContact O-N 2.96Å |
| 112 | L | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 175.4 | -65.8 | 176.4 | 0 | 0 | 0 | 111.8 | T108 H109 Q114 M115 R116 P127 V129 L146 V265 | T108-L112 HydrophobicContact CG2-CD1 4.32Å; T108-L112 VanDerWaalsContact O-CG 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.27Å; T108-L112 PolarHBondContact O-N 2.93Å; H109-L112 PolarHBondContact O-N 3.25Å; L112-Q114 VanDerWaalsContact C-N 3.35Å; L112-M115 HydrophobicContact CD2-SD 4.17Å; L112-M115 WeakPolarHBondContact O-CB 3.47Å; L112-M115 PolarHBondContact O-N 3.24Å; L112-R116 WeakPolarHBondContact O-CG 3.48Å; L112-R116 PolarHBondContact O-N 3.36Å; L112-P127 HydrophobicContact CB-CG 4.46Å; L112-P127 HydrophobicContact CD2-CB 4.1Å; L112-P127 HydrophobicContact CD2-CG 4.24Å; L112-V129 HydrophobicContact CD1-CG2 3.91Å; L112-V129 HydrophobicContact CD2-CG2 3.46Å; L112-V129 VanDerWaalsContact CD2-CG2 3.46Å; L112-V129 HydrophobicContact CG-CG2 4.31Å; L112-L146 HydrophobicContact CD1-CD1 4.48Å; L112-V265 HydrophobicContact CD2-CB 4.49Å; L112-V265 HydrophobicContact CD2-CG2 4.04Å |
| 113 | E | 98.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 174.7 | 174 | 56 | -160.1 | 0 | 0 | 112.1 | H109 A110 A111 M115 R116 R117 L153 R155 | H109-E113 PolarHBondContact O-N 2.79Å; A110-E113 PolarHBondContact O-N 3.27Å; A111-E113 VanDerWaalsContact C-N 3.34Å; A111-E113 PolarHBondContact O-N 3.35Å; E113-M115 VanDerWaalsContact C-N 3.32Å; E113-M115 PolarHBondContact O-N 2.9Å; E113-R116 PolarHBondContact O-N 3.4Å; E113-R116 IonicContact OE2-NH1 2.78Å; E113-R117 WeakPolarHBondContact O-CG 3.47Å; E113-R117 PolarHBondContact O-N 2.9Å; E113-R117 VanDerWaalsContact OE1-CG 3.31Å; E113-R117 WeakPolarHBondContact OE1-CG 3.42Å; E113-R117 IonicContact OE1-CZ 2.92Å; E113-R117 IonicContact OE1-NE 2.77Å; E113-R117 PolarHBondContact OE1-NE 2.79Å; E113-R117 IonicContact OE1-NH2 3.83Å; E113-L153 HydrophobicContact CB-CD1 4.37Å; E113-L153 HydrophobicContact CG-CD1 3.81Å; E113-R155 IonicContact OE1-CZ 3.47Å; E113-R155 IonicContact OE1-NE 3.94Å; E113-R155 PolarHBondContact OE1-NE 3.06Å; E113-R155 IonicContact OE1-NH2 2.77Å; E113-R155 PolarHBondContact OE1-NH2 3.28Å; E113-R155 IonicContact OE2-CZ 3.7Å; E113-R155 IonicContact OE2-NE 3.82Å; E113-R155 PolarHBondContact OE2-NE 3.07Å; E113-R155 IonicContact OE2-NH2 3.65Å |
| 114 | Q | 98.5 | Very high | 97.8 | Very high | 142 Ų | 142 | 67.6 Ų | 67.6 | 66% | 0.664 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 171.7 | -174.1 | 179.5 | -0.9 | 0 | 0 | 111.5 | A110 A111 L112 R116 R117 Q118 | A110-Q114 PolarHBondContact O-N 3.45Å; A111-Q114 WeakPolarHBondContact O-CB 3.36Å; A111-Q114 PolarHBondContact O-N 3.33Å; L112-Q114 VanDerWaalsContact C-N 3.35Å; Q114-R116 VanDerWaalsContact C-N 3.35Å; Q114-R116 PolarHBondContact O-N 2.91Å; Q114-R117 PolarHBondContact O-N 3Å; Q114-Q118 PolarHBondContact O-N 3.37Å |
| 115 | M | 98.6 | Very high | 97.7 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 20% | 0.197 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 173.8 | -65.1 | 173.3 | 73.4 | 0 | 0 | 111.6 | A111 L112 E113 Q118 A119 P127 D264 V265 | A111-M115 WeakPolarHBondContact O-CG 3.47Å; A111-M115 PolarHBondContact O-N 2.96Å; L112-M115 HydrophobicContact CD2-SD 4.17Å; L112-M115 WeakPolarHBondContact O-CB 3.47Å; L112-M115 PolarHBondContact O-N 3.24Å; E113-M115 VanDerWaalsContact C-N 3.32Å; E113-M115 PolarHBondContact O-N 2.9Å; M115-Q118 PolarHBondContact O-N 2.93Å; M115-A119 WeakPolarHBondContact O-CB 3.01Å; M115-A119 PolarHBondContact O-N 3.29Å; M115-P127 HydrophobicContact CB-CB 4.2Å; M115-P127 HydrophobicContact CB-CG 4.13Å; M115-P127 HydrophobicContact CE-CB 3.78Å; M115-P127 HydrophobicContact SD-CB 4.07Å; M115-D264 HydrophobicContact CE-CB 3.87Å; M115-V265 HydrophobicContact CE-CG2 4Å; M115-V265 HydrophobicContact SD-CG2 3.92Å |
| 116 | R | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 175.7 | -67.9 | -174.1 | -169.8 | 101.7 | 5 | 112.5 | L112 E113 Q114 Q118 A119 E120 P127 V235 G236 | L112-R116 WeakPolarHBondContact O-CG 3.48Å; L112-R116 PolarHBondContact O-N 3.36Å; E113-R116 PolarHBondContact O-N 3.4Å; E113-R116 IonicContact OE2-NH1 2.78Å; Q114-R116 VanDerWaalsContact C-N 3.35Å; Q114-R116 PolarHBondContact O-N 2.91Å; R116-Q118 VanDerWaalsContact C-N 3.32Å; R116-Q118 PolarHBondContact O-N 3.18Å; R116-A119 PolarHBondContact O-N 3.38Å; R116-E120 WeakPolarHBondContact O-CB 3.43Å; R116-E120 PolarHBondContact O-N 3.12Å; R116-P127 VanDerWaalsContact CG-CD 3.45Å; R116-P127 HydrophobicContact CG-CG 3.96Å; R116-V235 HydrophobicContact CB-CG1 4.5Å; R116-V235 WeakPolarHBondContact CG-O 3.3Å; R116-G236 PolarHBondContact NE-O 3.39Å |
| 117 | R | 98.4 | Very high | 97.7 | Very high | 134 Ų | 134 | 65.3 Ų | 65.3 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 177.5 | -71.8 | 176.1 | -177.7 | -168 | -2.5 | 111.9 | E113 Q114 R121 | E113-R117 WeakPolarHBondContact O-CG 3.47Å; E113-R117 PolarHBondContact O-N 2.9Å; E113-R117 VanDerWaalsContact OE1-CG 3.31Å; E113-R117 WeakPolarHBondContact OE1-CG 3.42Å; E113-R117 IonicContact OE1-CZ 2.92Å; E113-R117 IonicContact OE1-NE 2.77Å; E113-R117 PolarHBondContact OE1-NE 2.79Å; E113-R117 IonicContact OE1-NH2 3.83Å; Q114-R117 PolarHBondContact O-N 3Å; R117-R121 VanDerWaalsContact O-CG 3.27Å; R117-R121 WeakPolarHBondContact O-CG 3.27Å; R117-R121 PolarHBondContact O-N 3.43Å; R117-R121 VanDerWaalsContact O-N 3.15Å |
| 118 | Q | 97.9 | Very high | 97.7 | Very high | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.8 | -49.7 | 175.8 | -167.5 | 63.2 | 35.8 | 0 | 0 | 110.7 | Q114 M115 R116 E120 R121 D122 | Q114-Q118 PolarHBondContact O-N 3.37Å; M115-Q118 PolarHBondContact O-N 2.93Å; R116-Q118 VanDerWaalsContact C-N 3.32Å; R116-Q118 PolarHBondContact O-N 3.18Å; Q118-E120 PolarHBondContact O-N 3.32Å; Q118-R121 WeakPolarHBondContact O-CB 3.44Å; Q118-R121 PolarHBondContact O-N 2.97Å; Q118-D122 WeakPolarHBondContact CG-OD2 3.4Å; Q118-D122 PolarHBondContact NE2-OD1 3.1Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.1Å; Q118-D122 PolarHBondContact NE2-OD2 3.37Å; Q118-D122 PolarHBondContact O-N 2.88Å |
| 119 | A | 96.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | M115 R116 N123 E124 R125 R231 | M115-A119 WeakPolarHBondContact O-CB 3.01Å; M115-A119 PolarHBondContact O-N 3.29Å; R116-A119 PolarHBondContact O-N 3.38Å; A119-N123 CarbonylContact O-C 3.55Å; A119-N123 PolarHBondContact O-N 3.18Å; A119-E124 HydrophobicContact CB-CB 4.35Å; A119-E124 PolarHBondContact O-N 3.29Å; A119-R125 WeakPolarHBondContact CB-O 3.06Å; A119-R231 PolarHBondContact O-NH2 3.39Å |
| 120 | E | 96.4 | Very high | 97.8 | Very high | 104 Ų | 104 | 59.6 Ų | 59.6 | 49% | 0.486 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.4 | -170.3 | 161.6 | -139.7 | 0 | 0 | 112.1 | R116 Q118 R155 V235 | R116-E120 WeakPolarHBondContact O-CB 3.43Å; R116-E120 PolarHBondContact O-N 3.12Å; Q118-E120 PolarHBondContact O-N 3.32Å; E120-R155 IonicContact OE1-NH1 3.37Å; E120-R155 IonicContact OE2-CZ 3.53Å; E120-R155 IonicContact OE2-NH1 3.41Å; E120-R155 PolarHBondContact OE2-NH1 3.17Å; E120-R155 IonicContact OE2-NH2 3.33Å; E120-R155 PolarHBondContact OE2-NH2 3.41Å; E120-V235 HydrophobicContact CB-CG1 3.91Å; E120-V235 HydrophobicContact CG-CG1 4.42Å |
| 121 | R | 97.3 | Very high | 97.8 | Very high | 192 Ų | 192 | 57.1 Ų | 57.1 | 73% | 0.725 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.3 | -42.9 | 178.5 | -72 | 169.7 | -178.7 | -173.3 | -1.9 | 112.7 | R117 Q118 N123 | R117-R121 VanDerWaalsContact O-CG 3.27Å; R117-R121 WeakPolarHBondContact O-CG 3.27Å; R117-R121 PolarHBondContact O-N 3.43Å; R117-R121 VanDerWaalsContact O-N 3.15Å; Q118-R121 WeakPolarHBondContact O-CB 3.44Å; Q118-R121 PolarHBondContact O-N 2.97Å; R121-N123 VanDerWaalsContact C-N 3.26Å; R121-N123 PolarHBondContact O-N 3.33Å |
| 122 | D | 97.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 55 Ų | 55 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 3.5 | -173.2 | -61.9 | -9.7 | 0 | 0 | 0 | 112.8 | Q118 E124 | Q118-D122 WeakPolarHBondContact CG-OD2 3.4Å; Q118-D122 PolarHBondContact NE2-OD1 3.1Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.1Å; Q118-D122 PolarHBondContact NE2-OD2 3.37Å; Q118-D122 PolarHBondContact O-N 2.88Å; D122-E124 HydrophobicContact CB-CG 3.97Å; D122-E124 PolarHBondContact O-N 3.18Å |
| 123 | N | 93.5 | Very high | 97.7 | Very high | 120 Ų | 120 | 54.8 Ų | 54.8 | 64% | 0.642 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 27.1 | -173.3 | -159.6 | 36 | 0 | 0 | 0 | 114.5 | A119 R121 R231 | A119-N123 CarbonylContact O-C 3.55Å; A119-N123 PolarHBondContact O-N 3.18Å; R121-N123 VanDerWaalsContact C-N 3.26Å; R121-N123 PolarHBondContact O-N 3.33Å; N123-R231 VanDerWaalsContact C-NH1 3.29Å; N123-R231 VanDerWaalsContact CA-NH2 3.26Å; N123-R231 PolarHBondContact O-NH1 2.81Å; N123-R231 PolarHBondContact OD1-NE 3.48Å; N123-R231 PolarHBondContact OD1-NH1 3.2Å; N123-R231 VanDerWaalsContact OD1-NH1 3.13Å |
| 124 | E | 96 | Very high | 97.7 | Very high | 121 Ų | 121 | 55.7 Ų | 55.7 | 57% | 0.565 | 25% | 0.253 | S | S | * | . | trans | -95.6 | -179.8 | 178.3 | -60 | -173.4 | 162.2 | 0 | 0 | 112.4 | A119 D122 R231 | A119-E124 HydrophobicContact CB-CB 4.35Å; A119-E124 PolarHBondContact O-N 3.29Å; D122-E124 HydrophobicContact CB-CG 3.97Å; D122-E124 PolarHBondContact O-N 3.18Å; E124-R231 PolarHBondContact O-NH1 2.89Å; E124-R231 PolarHBondContact O-NH2 2.95Å | ||
| 125 | R | 96.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -82.3 | 151.6 | 174 | 69.7 | 172.8 | -171.7 | -95 | -4.1 | 111.4 | A119 E262 D264 | A119-R125 WeakPolarHBondContact CB-O 3.06Å; R125-E262 IonicContact CZ-OE2 3.18Å; R125-E262 IonicContact NH1-OE2 3.63Å; R125-E262 IonicContact NH2-OE2 3.22Å; R125-D264 IonicContact NH2-OD1 3.88Å; R125-D264 PolarHBondContact NH2-OD1 2.91Å |
| 126 | G | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S234 V235 | G126-S234 WeakPolarHBondContact CA-O 3.08Å; G126-S234 PolarHBondContact N-O 3.34Å; G126-V235 WeakPolarHBondContact CA-O 3.46Å |
| 127 | P | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 135.2 | -175.2 | 29.4 | -34 | 0 | 0 | 0 | 112.1 | L112 M115 R116 V129 G237 C238 D264 | L112-P127 HydrophobicContact CB-CG 4.46Å; L112-P127 HydrophobicContact CD2-CB 4.1Å; L112-P127 HydrophobicContact CD2-CG 4.24Å; M115-P127 HydrophobicContact CB-CB 4.2Å; M115-P127 HydrophobicContact CB-CG 4.13Å; M115-P127 HydrophobicContact CE-CB 3.78Å; M115-P127 HydrophobicContact SD-CB 4.07Å; R116-P127 VanDerWaalsContact CG-CD 3.45Å; R116-P127 HydrophobicContact CG-CG 3.96Å; P127-V129 HydrophobicContact CB-CG2 4.22Å; P127-G237 VanDerWaalsContact O-CA 3.29Å; P127-G237 WeakPolarHBondContact O-CA 3.47Å; P127-C238 PolarHBondContact O-N 2.99Å; P127-D264 WeakPolarHBondContact CA-OD2 3.33Å |
| 128 | R | 98.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 5% | 0.045 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.3 | 169.8 | -59.7 | -177 | 179.1 | -175 | -7.9 | 108.8 | F223 S224 F261 D264 V265 | R128-F223 HydrophobicContact CG-CE1 4.25Å; R128-S224 PolarHBondContact NH2-OG 3.22Å; R128-F261 WeakPolarHBondContact CD-O 3.44Å; R128-F261 PolarHBondContact NH1-O 3.35Å; R128-D264 PolarHBondContact N-OD2 3.46Å; R128-D264 PolarHBondContact O-N 3.08Å; R128-V265 PolarHBondContact O-N 3.47Å |
| 129 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.3 | -167.9 | -173 | 0 | 0 | 0 | 0 | 110.2 | L112 P127 C238 I239 I240 V265 L267 | L112-V129 HydrophobicContact CD1-CG2 3.91Å; L112-V129 HydrophobicContact CD2-CG2 3.46Å; L112-V129 VanDerWaalsContact CD2-CG2 3.46Å; L112-V129 HydrophobicContact CG-CG2 4.31Å; P127-V129 HydrophobicContact CB-CG2 4.22Å; V129-C238 PolarHBondContact N-O 3.42Å; V129-I239 HydrophobicContact CB-CG1 4.32Å; V129-I239 CarbonylContact O-C 3.58Å; V129-I239 WeakPolarHBondContact O-CA 3.31Å; V129-I240 PolarHBondContact O-N 2.85Å; V129-V265 CarbonylContact C-O 3.56Å; V129-V265 WeakPolarHBondContact CA-O 3.35Å; V129-V265 HydrophobicContact CG1-CB 4.28Å; V129-V265 HydrophobicContact CG1-CG1 4.34Å; V129-V265 HydrophobicContact CG2-CB 4.33Å; V129-L267 HydrophobicContact CG1-CD1 3.85Å; V129-L267 HydrophobicContact CG1-CG 3.87Å |
| 130 | M | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.3 | 175.2 | -169.4 | 177.2 | 61.9 | 0 | 0 | 111.1 | V132 I240 T242 C257 A258 V263 V265 V266 L267 | M130-V132 HydrophobicContact CE-CG1 3.68Å; M130-V132 HydrophobicContact CG-CG1 3.76Å; M130-V132 HydrophobicContact SD-CG1 4Å; M130-I240 HydrophobicContact CB-CD1 4.48Å; M130-I240 HydrophobicContact CG-CB 4.41Å; M130-T242 HydrophobicContact CG-CG2 3.9Å; M130-T242 HydrophobicContact SD-CG2 4.32Å; M130-C257 HydrophobicContact SD-CB 4.04Å; M130-A258 HydrophobicContact CE-CB 3.86Å; M130-A258 HydrophobicContact SD-CB 4.37Å; M130-V263 HydrophobicContact CB-CG1 4.11Å; M130-V265 PolarHBondContact N-O 3.06Å; M130-V266 HydrophobicContact CB-CG2 4.36Å; M130-V266 HydrophobicContact CE-CB 4.45Å; M130-V266 HydrophobicContact CE-CG1 3.81Å; M130-V266 HydrophobicContact CE-CG2 3.76Å; M130-V266 CarbonylContact O-C 3.47Å; M130-V266 WeakPolarHBondContact O-CA 3.24Å; M130-L267 PolarHBondContact O-N 3.45Å |
| 131 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.4 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | K139 I239 I240 T242 L267 L269 | V131-K139 HydrophobicContact CG1-CB 4.09Å; V131-K139 HydrophobicContact CG1-CG 4.15Å; V131-I239 HydrophobicContact CG2-CG2 4.2Å; V131-I240 PolarHBondContact N-O 3.41Å; V131-T242 PolarHBondContact O-OG1 2.76Å; V131-T242 VanDerWaalsContact O-OG1 3.07Å; V131-L267 WeakPolarHBondContact CA-O 3.43Å; V131-L267 HydrophobicContact CG2-CB 4.39Å; V131-L267 HydrophobicContact CG2-CD1 4.23Å; V131-L269 HydrophobicContact CG1-CD1 4.13Å; V131-L269 HydrophobicContact CG1-CG 4.21Å |
| 132 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 158.5 | -172.8 | -56.3 | 0 | 0 | 0 | 0 | 112 | M130 T242 L254 V266 L267 V268 L269 L274 L278 | M130-V132 HydrophobicContact CE-CG1 3.68Å; M130-V132 HydrophobicContact CG-CG1 3.76Å; M130-V132 HydrophobicContact SD-CG1 4Å; V132-T242 HydrophobicContact CG1-CG2 4.09Å; V132-L254 HydrophobicContact CB-CD1 4.3Å; V132-L254 HydrophobicContact CG1-CD1 4.28Å; V132-L254 HydrophobicContact CG1-CD2 3.85Å; V132-V266 HydrophobicContact CG1-CG1 4.32Å; V132-V266 HydrophobicContact CG2-CG1 3.76Å; V132-L267 PolarHBondContact N-O 2.9Å; V132-V268 HydrophobicContact CG2-CB 4.18Å; V132-V268 HydrophobicContact CG2-CG1 4.31Å; V132-V268 HydrophobicContact CG2-CG2 3.72Å; V132-V268 WeakPolarHBondContact O-CA 3.48Å; V132-L269 PolarHBondContact O-N 2.56Å; V132-L274 HydrophobicContact CB-CD2 4.29Å; V132-L274 HydrophobicContact CG2-CD2 3.98Å; V132-L278 HydrophobicContact CG2-CD1 3.73Å |
| 133 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | 149.4 | 165.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K139 V246 | G133-K139 WeakPolarHBondContact O-CE 3.43Å; G133-K139 PolarHBondContact O-NZ 2.88Å; G133-V246 VanDerWaalsContact C-CG1 3.46Å; G133-V246 WeakPolarHBondContact O-CG1 3.47Å | ||
| 134 | P | 97 | Very high | 97.3 | Very high | 30 Ų | 30 | 27 Ų | 27 | 20% | 0.195 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -64.2 | 178.8 | -179.3 | 26.3 | -31.5 | 0 | 0 | 0 | 112.2 | V137 K139 V246 Q271 | P134-V137 HydrophobicContact CG-CG1 3.7Å; P134-V137 VanDerWaalsContact O-CG2 3.32Å; P134-V137 WeakPolarHBondContact O-CG2 3.23Å; P134-K139 PolarHBondContact O-NZ 3.37Å; P134-V246 HydrophobicContact CB-CG2 4.5Å; P134-Q271 HydrophobicContact CG-CB 4.49Å |
| 135 | T | 95.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 21.4 Ų | 21.4 | 49% | 0.491 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 149.1 | 170.9 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | V137 | T135-V137 PolarHBondContact O-N 3.49Š|
| 136 | D | 94.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 16.8 Ų | 16.8 | 19% | 0.187 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 42 | 171.6 | -52.2 | -27.1 | 0 | 0 | 0 | 115.4 | V297 E299 R300 R305 | D136-V297 VanDerWaalsContact C-CG1 3.48Å; D136-V297 WeakPolarHBondContact O-CG1 3.48Å; D136-E299 HydrophobicContact CB-CG 4.48Å; D136-R300 PolarHBondContact OD2-N 3.49Å; D136-R305 IonicContact OD1-CZ 3.8Å; D136-R305 IonicContact OD1-NH1 3.8Å; D136-R305 IonicContact OD1-NH2 3.73Å; D136-R305 PolarHBondContact OD1-NH2 2.92Å; D136-R305 IonicContact OD2-CZ 2.79Å; D136-R305 IonicContact OD2-NH2 3.48Å; D136-R305 PolarHBondContact OD2-NH2 2.9Å |
| 137 | V | 96.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -115 | 4.6 | 170.8 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | P134 T135 K139 L269 D270 K293 | P134-V137 HydrophobicContact CG-CG1 3.7Å; P134-V137 VanDerWaalsContact O-CG2 3.32Å; P134-V137 WeakPolarHBondContact O-CG2 3.23Å; T135-V137 PolarHBondContact O-N 3.49Å; V137-K139 HydrophobicContact CG2-CD 4.47Å; V137-K139 HydrophobicContact CG2-CG 3.75Å; V137-L269 HydrophobicContact CB-CB 4.01Å; V137-L269 HydrophobicContact CG2-CB 3.59Å; V137-L269 HydrophobicContact CG2-CD1 4.21Å; V137-L269 HydrophobicContact CG2-CG 4.48Å; V137-L269 WeakPolarHBondContact O-CD1 3.42Å; V137-D270 HydrophobicContact CB-CB 4.38Å; V137-D270 HydrophobicContact CG1-CB 4.08Å; V137-K293 HydrophobicContact CB-CB 4.35Å |
| 138 | G | 96.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 16.7 Ų | 16.7 | 13% | 0.134 | 10% | 0.099 | C | C | . | . | trans | 86.7 | 19.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S140 T141 V142 | G138-S140 PolarHBondContact O-N 3.47Å; G138-T141 WeakPolarHBondContact O-CB 3.46Å; G138-T141 PolarHBondContact O-N 3.06Å; G138-T141 VanDerWaalsContact O-N 3.09Å; G138-V142 PolarHBondContact O-N 3.06Å | ||
| 139 | K | 97.5 | Very high | 97.5 | Very high | 14 Ų | 14 | 16.6 Ų | 16.6 | 6% | 0.061 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -50.9 | -53.6 | -178.9 | -63.7 | -168.2 | -63.2 | -72.1 | 0 | 113.8 | V131 G133 P134 V137 T141 V142 C143 N241 T242 L269 | V131-K139 HydrophobicContact CG1-CB 4.09Å; V131-K139 HydrophobicContact CG1-CG 4.15Å; G133-K139 WeakPolarHBondContact O-CE 3.43Å; G133-K139 PolarHBondContact O-NZ 2.88Å; P134-K139 PolarHBondContact O-NZ 3.37Å; V137-K139 HydrophobicContact CG2-CD 4.47Å; V137-K139 HydrophobicContact CG2-CG 3.75Å; K139-T141 VanDerWaalsContact C-N 3.27Å; K139-T141 PolarHBondContact O-N 3.28Å; K139-V142 PolarHBondContact O-N 2.89Å; K139-C143 PolarHBondContact O-N 3.08Å; K139-C143 PolarHBondContact O-SG 2.82Å; K139-N241 WeakPolarHBondContact CB-OD1 3.32Å; K139-T242 WeakPolarHBondContact CE-O 3.41Å; K139-L269 HydrophobicContact CB-CD1 4.34Å; K139-L269 HydrophobicContact CG-CD1 3.9Å; K139-L269 HydrophobicContact CG-CG 4.5Å |
| 140 | S | 96.6 | Very high | 97.5 | Very high | 59 Ų | 59 | 16.6 Ų | 16.6 | 41% | 0.413 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -63.5 | -34 | -179.9 | -50.2 | 0 | 0 | 0 | 0 | 112.4 | G138 C143 R144 N241 | G138-S140 PolarHBondContact O-N 3.47Å; S140-C143 PolarHBondContact O-N 2.86Å; S140-R144 WeakPolarHBondContact O-CB 3.19Å; S140-R144 PolarHBondContact O-N 3.06Å; S140-N241 PolarHBondContact OG-ND2 3.05Å; S140-N241 VanDerWaalsContact OG-ND2 3.13Å |
| 141 | T | 96.6 | Very high | 97.4 | Very high | 54 Ų | 54 | 17.3 Ų | 17.3 | 33% | 0.331 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -66.8 | -45.8 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | F57 G138 K139 C143 R144 L145 | F57-T141 HydrophobicContact CB-CG2 4.44Å; F57-T141 HydrophobicContact CD1-CG2 3.31Å; F57-T141 HydrophobicContact CE1-CG2 3.56Å; F57-T141 HydrophobicContact CG-CG2 3.87Å; F57-T141 HydrophobicContact CZ-CG2 4.31Å; G138-T141 WeakPolarHBondContact O-CB 3.46Å; G138-T141 PolarHBondContact O-N 3.06Å; G138-T141 VanDerWaalsContact O-N 3.09Å; K139-T141 VanDerWaalsContact C-N 3.27Å; K139-T141 PolarHBondContact O-N 3.28Å; T141-C143 VanDerWaalsContact C-N 3.34Å; T141-R144 PolarHBondContact O-N 3.31Å; T141-L145 WeakPolarHBondContact O-CB 3.25Å; T141-L145 PolarHBondContact O-N 2.7Å |
| 142 | V | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.9 | 173 | 0 | 0 | 0 | 0 | 110.7 | Y105 G138 K139 R144 L145 L146 L269 | Y105-V142 HydrophobicContact CD1-CG2 4.44Å; Y105-V142 HydrophobicContact CE1-CG2 3.85Å; Y105-V142 HydrophobicContact CE2-CG2 4.06Å; G138-V142 PolarHBondContact O-N 3.06Å; K139-V142 PolarHBondContact O-N 2.89Å; V142-R144 PolarHBondContact O-N 3.41Å; V142-L145 PolarHBondContact O-N 3.34Å; V142-L146 HydrophobicContact CG1-CD1 3.84Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 VanDerWaalsContact O-CG 3.3Å; V142-L146 WeakPolarHBondContact O-CG 3.26Å; V142-L146 PolarHBondContact O-N 3.23Å; V142-L269 HydrophobicContact CB-CD1 4.29Å; V142-L269 HydrophobicContact CG2-CD1 3.86Å; V142-L269 HydrophobicContact CG2-CD2 4.43Å |
| 143 | C | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 174.2 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | K139 S140 T141 L145 L146 L147 I239 | K139-C143 PolarHBondContact O-N 3.08Å; K139-C143 PolarHBondContact O-SG 2.82Å; S140-C143 PolarHBondContact O-N 2.86Å; T141-C143 VanDerWaalsContact C-N 3.34Å; C143-L145 PolarHBondContact O-N 3.07Å; C143-L146 PolarHBondContact O-N 3.24Å; C143-L147 WeakPolarHBondContact O-CB 3.34Å; C143-L147 WeakPolarHBondContact O-CD1 3.33Å; C143-L147 WeakPolarHBondContact O-CG 3.18Å; C143-L147 PolarHBondContact O-N 2.96Å; C143-I239 HydrophobicContact CB-CG2 3.94Å |
| 144 | R | 97.5 | Very high | 97.2 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 177.5 | -176.6 | 176.1 | 169.8 | 156.1 | 4.9 | 112.1 | F57 S140 T141 V142 L147 S148 A184 D185 Y190 | F57-R144 HydrophobicContact CB-CG 4.18Å; S140-R144 WeakPolarHBondContact O-CB 3.19Å; S140-R144 PolarHBondContact O-N 3.06Å; T141-R144 PolarHBondContact O-N 3.31Å; V142-R144 PolarHBondContact O-N 3.41Å; R144-L147 PolarHBondContact O-N 3.49Å; R144-S148 WeakPolarHBondContact O-CB 3.5Å; R144-S148 PolarHBondContact O-N 3.2Å; R144-S148 PolarHBondContact O-OG 2.86Å; R144-A184 HydrophobicContact CG-CB 4.23Å; R144-D185 PolarHBondContact NH2-O 3.03Å; R144-Y190 WeakPolarHBondContact CA-OH 3.43Å; R144-Y190 WeakPolarHBondContact CB-OH 3.24Å; R144-Y190 HydrophobicContact CG-CE1 4.36Å; R144-Y190 PolarHBondContact N-OH 3.49Å |
| 145 | L | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -51.9 | 179 | -176.4 | 67.1 | 0 | 0 | 0 | 112 | F57 G58 M102 Y105 T141 V142 C143 L147 S148 Y149 | F57-L145 WeakPolarHBondContact O-CA 3.22Å; G58-L145 VanDerWaalsContact N-CD1 3.32Å; M102-L145 HydrophobicContact CE-CD1 4.04Å; M102-L145 HydrophobicContact CE-CD2 4.17Å; M102-L145 HydrophobicContact SD-CD2 3.79Å; Y105-L145 HydrophobicContact CD2-CD2 3.48Å; Y105-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y105-L145 HydrophobicContact CE2-CD2 4.44Å; Y105-L145 HydrophobicContact CG-CD2 3.9Å; T141-L145 WeakPolarHBondContact O-CB 3.25Å; T141-L145 PolarHBondContact O-N 2.7Å; V142-L145 PolarHBondContact O-N 3.34Å; C143-L145 PolarHBondContact O-N 3.07Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.36Å; L145-S148 PolarHBondContact O-N 3.05Å; L145-Y149 HydrophobicContact CD1-CD1 4.39Å; L145-Y149 HydrophobicContact CD1-CE1 3.74Å; L145-Y149 HydrophobicContact CD1-CE2 3.92Å; L145-Y149 VanDerWaalsContact CD1-CZ 3.47Å; L145-Y149 HydrophobicContact CD2-CE2 4.44Å; L145-Y149 HydrophobicContact CG-CD2 4.39Å; L145-Y149 HydrophobicContact CG-CE2 3.98Å; L145-Y149 PolarHBondContact O-N 3.18Å |
| 146 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | -178.4 | -68.4 | 177.5 | 0 | 0 | 0 | 112.4 | T108 H109 L112 V142 C143 A150 I239 L267 | T108-L146 HydrophobicContact CG2-CD2 4.3Å; H109-L146 HydrophobicContact CB-CD2 3.86Å; L112-L146 HydrophobicContact CD1-CD1 4.48Å; V142-L146 HydrophobicContact CG1-CD1 3.84Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 VanDerWaalsContact O-CG 3.3Å; V142-L146 WeakPolarHBondContact O-CG 3.26Å; V142-L146 PolarHBondContact O-N 3.23Å; C143-L146 PolarHBondContact O-N 3.24Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.2Å; L146-A150 VanDerWaalsContact O-N 3.1Å; L146-I239 HydrophobicContact CB-CD1 3.54Å; L146-L267 HydrophobicContact CD1-CD1 3.63Å |
| 147 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | 173.9 | -72.5 | 164.1 | 0 | 0 | 0 | 111 | C143 R144 L145 Y149 A150 V151 P157 L159 I180 Y190 I239 | C143-L147 WeakPolarHBondContact O-CB 3.34Å; C143-L147 WeakPolarHBondContact O-CD1 3.33Å; C143-L147 WeakPolarHBondContact O-CG 3.18Å; C143-L147 PolarHBondContact O-N 2.96Å; R144-L147 PolarHBondContact O-N 3.49Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.36Å; L147-Y149 VanDerWaalsContact C-N 3.35Å; L147-Y149 PolarHBondContact O-N 3.21Å; L147-A150 WeakPolarHBondContact O-CB 3.35Å; L147-A150 PolarHBondContact O-N 2.97Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.13Å; L147-P157 HydrophobicContact CD2-CB 3.83Å; L147-P157 HydrophobicContact CD2-CG 3.58Å; L147-L159 HydrophobicContact CD1-CB 3.76Å; L147-L159 HydrophobicContact CD1-CD1 3.84Å; L147-L159 HydrophobicContact CD1-CD2 4.27Å; L147-L159 HydrophobicContact CD1-CG 4.15Å; L147-I180 HydrophobicContact CB-CG1 4.48Å; L147-I180 HydrophobicContact CD1-CG1 4.13Å; L147-I180 HydrophobicContact CD2-CB 4.43Å; L147-I180 HydrophobicContact CD2-CG1 3.87Å; L147-I180 HydrophobicContact CG-CG1 4.38Å; L147-Y190 HydrophobicContact CD1-CE1 4.18Å; L147-I239 HydrophobicContact CD2-CB 4.1Å; L147-I239 HydrophobicContact CD2-CD1 3.76Å; L147-I239 HydrophobicContact CD2-CG1 4.23Å; L147-I239 HydrophobicContact CG-CB 4.29Å; L147-I239 HydrophobicContact CG-CD1 3.75Å |
| 148 | S | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 177.7 | -70.4 | 0 | 0 | 0 | 0 | 112 | R144 L145 V151 R152 | R144-S148 WeakPolarHBondContact O-CB 3.5Å; R144-S148 PolarHBondContact O-N 3.2Å; R144-S148 PolarHBondContact O-OG 2.86Å; L145-S148 PolarHBondContact O-N 3.05Å; S148-V151 WeakPolarHBondContact O-CG2 3.15Å; S148-V151 PolarHBondContact O-N 2.87Å; S148-R152 VanDerWaalsContact O-CG 3.25Å; S148-R152 WeakPolarHBondContact O-CG 3.34Å; S148-R152 PolarHBondContact O-N 3.45Å |
| 149 | Y | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 27 Ų | 27 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.8 | -70.1 | -8.3 | 0 | 0 | 0 | 112.5 | E55 W80 M102 L106 H109 L145 L147 R152 L153 | E55-Y149 WeakPolarHBondContact OE1-CE1 3.33Å; E55-Y149 PolarHBondContact OE1-OH 3.32Å; W80-Y149 WeakPolarHBondContact CZ2-OH 3.39Å; W80-Y149 PolarHBondContact NE1-OH 2.7Å; M102-Y149 VanDerWaalsContact CE-OH 3.26Å; M102-Y149 WeakPolarHBondContact CE-OH 3.27Å; L106-Y149 HydrophobicContact CD1-CD2 4.42Å; L106-Y149 HydrophobicContact CD1-CE2 4.1Å; H109-Y149 HydrophobicContact CB-CD2 3.89Å; H109-Y149 VanDerWaalsContact CE1-CB 3.49Å; H109-Y149 WeakPolarHBondContact CE1-CB 3.31Å; H109-Y149 AromaticContact CG-CD2 3.86Å; H109-Y149 WeakPolarHBondContact ND1-CB 3.46Å; L145-Y149 HydrophobicContact CD1-CD1 4.39Å; L145-Y149 HydrophobicContact CD1-CE1 3.74Å; L145-Y149 HydrophobicContact CD1-CE2 3.92Å; L145-Y149 VanDerWaalsContact CD1-CZ 3.47Å; L145-Y149 HydrophobicContact CD2-CE2 4.44Å; L145-Y149 HydrophobicContact CG-CD2 4.39Å; L145-Y149 HydrophobicContact CG-CE2 3.98Å; L145-Y149 PolarHBondContact O-N 3.18Å; L147-Y149 VanDerWaalsContact C-N 3.35Å; L147-Y149 PolarHBondContact O-N 3.21Å; Y149-R152 PolarHBondContact O-N 2.95Å; Y149-L153 PolarHBondContact O-N 3.47Å |
| 150 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H109 L146 L147 L153 R155 P157 | H109-A150 PolarHBondContact CE1-N 3.36Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.2Å; L146-A150 VanDerWaalsContact O-N 3.1Å; L147-A150 WeakPolarHBondContact O-CB 3.35Å; L147-A150 PolarHBondContact O-N 2.97Å; A150-L153 CarbonylContact O-C 3.53Å; A150-L153 PolarHBondContact O-N 3.04Å; A150-R155 HydrophobicContact CB-CB 4.21Å; A150-R155 VanDerWaalsContact O-CB 3.23Å; A150-R155 WeakPolarHBondContact O-CB 3.29Å; A150-R155 WeakPolarHBondContact O-CG 3.24Å; A150-R155 PolarHBondContact O-N 3.27Å; A150-P157 HydrophobicContact CB-CG 3.89Å |
| 151 | V | 97.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 9% | 0.085 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.9 | -28.6 | 178.8 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | L147 S148 L153 G154 P157 I180 P183 | L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.13Å; S148-V151 WeakPolarHBondContact O-CG2 3.15Å; S148-V151 PolarHBondContact O-N 2.87Å; V151-L153 PolarHBondContact O-N 3.47Å; V151-G154 PolarHBondContact O-N 3.15Å; V151-P157 HydrophobicContact CG1-CG 4.32Å; V151-I180 HydrophobicContact CG1-CB 4.18Å; V151-I180 HydrophobicContact CG1-CG2 3.77Å; V151-I180 WeakPolarHBondContact CG1-O 3.41Å; V151-P183 HydrophobicContact CG2-CB 4.37Å; V151-P183 HydrophobicContact CG2-CG 3.81Å |
| 152 | R | 96.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 21.2 Ų | 21.2 | 33% | 0.332 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -61 | -27.9 | 170 | -75.7 | 168.7 | 74.8 | -172.2 | -1.3 | 112.3 | E55 G58 E60 S148 Y149 G154 P183 | E55-R152 IonicContact OE2-CZ 3.94Å; E55-R152 IonicContact OE2-NH1 3.58Å; E55-R152 PolarHBondContact OE2-NH1 3.4Å; E55-R152 IonicContact OE2-NH2 2.85Å; G58-R152 WeakPolarHBondContact O-CD 3.14Å; G58-R152 PolarHBondContact O-NH1 2.99Å; E60-R152 VanDerWaalsContact CD-CZ 3.47Å; E60-R152 IonicContact OE1-CZ 3.43Å; E60-R152 IonicContact OE1-NE 3.36Å; E60-R152 IonicContact OE1-NH2 3.28Å; E60-R152 PolarHBondContact OE1-NH2 2.97Å; E60-R152 IonicContact OE2-CZ 3.57Å; E60-R152 IonicContact OE2-NE 2.9Å; E60-R152 PolarHBondContact OE2-NE 3.48Å; E60-R152 IonicContact OE2-NH2 3.53Å; S148-R152 VanDerWaalsContact O-CG 3.25Å; S148-R152 WeakPolarHBondContact O-CG 3.34Å; S148-R152 PolarHBondContact O-N 3.45Å; Y149-R152 PolarHBondContact O-N 2.95Å; R152-G154 VanDerWaalsContact C-N 3.32Å; R152-P183 HydrophobicContact CG-CG 4.1Å |
| 153 | L | 97.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 22.1 Ų | 22.1 | 47% | 0.471 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 13.3 | 172.1 | -61.7 | -175.7 | 0 | 0 | 0 | 113.7 | H109 E113 Y149 A150 V151 R155 | H109-L153 WeakPolarHBondContact NE2-CD1 3.41Å; E113-L153 HydrophobicContact CB-CD1 4.37Å; E113-L153 HydrophobicContact CG-CD1 3.81Å; Y149-L153 PolarHBondContact O-N 3.47Å; A150-L153 CarbonylContact O-C 3.53Å; A150-L153 PolarHBondContact O-N 3.04Å; V151-L153 PolarHBondContact O-N 3.47Å; L153-R155 VanDerWaalsContact C-N 3.3Å; L153-R155 PolarHBondContact O-N 3.47Å |
| 154 | G | 96.6 | Very high | 97.8 | Very high | 66 Ų | 66 | 22.1 Ų | 22.1 | 68% | 0.68 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 11.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | V151 R152 | V151-G154 PolarHBondContact O-N 3.15Å; R152-G154 VanDerWaalsContact C-N 3.32Å |
| 155 | R | 97.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 20.6 Ų | 20.6 | 11% | 0.113 | 11% | 0.112 | C | C | . | . | trans | -76.2 | 163.3 | 173.5 | -54.1 | -61.1 | -171.5 | -173.8 | -3.7 | 110.8 | E113 E120 A150 L153 | E113-R155 IonicContact OE1-CZ 3.47Å; E113-R155 IonicContact OE1-NE 3.94Å; E113-R155 PolarHBondContact OE1-NE 3.06Å; E113-R155 IonicContact OE1-NH2 2.77Å; E113-R155 PolarHBondContact OE1-NH2 3.28Å; E113-R155 IonicContact OE2-CZ 3.7Å; E113-R155 IonicContact OE2-NE 3.82Å; E113-R155 PolarHBondContact OE2-NE 3.07Å; E113-R155 IonicContact OE2-NH2 3.65Å; E120-R155 IonicContact OE1-NH1 3.37Å; E120-R155 IonicContact OE2-CZ 3.53Å; E120-R155 IonicContact OE2-NH1 3.41Å; E120-R155 PolarHBondContact OE2-NH1 3.17Å; E120-R155 IonicContact OE2-NH2 3.33Å; E120-R155 PolarHBondContact OE2-NH2 3.41Å; A150-R155 HydrophobicContact CB-CB 4.21Å; A150-R155 VanDerWaalsContact O-CB 3.23Å; A150-R155 WeakPolarHBondContact O-CB 3.29Å; A150-R155 WeakPolarHBondContact O-CG 3.24Å; A150-R155 PolarHBondContact O-N 3.27Å; L153-R155 VanDerWaalsContact C-N 3.3Å; L153-R155 PolarHBondContact O-N 3.47Å | ||
| 156 | R | 96.5 | Very high | 97.4 | Very high | 88 Ų | 88 | 22 Ų | 22 | 33% | 0.332 | 12% | 0.118 | S | C | . | . | trans | -127.8 | 66.6 | 175.6 | -67.2 | -173.1 | 171 | -139.1 | -10.5 | 111.1 | E181 | R156-E181 IonicContact CZ-OE1 2.73Å; R156-E181 IonicContact CZ-OE2 3.94Å; R156-E181 IonicContact NH1-OE1 2.94Å; R156-E181 PolarHBondContact NH1-OE1 3.39Å; R156-E181 IonicContact NH1-OE2 3.91Å; R156-E181 PolarHBondContact NH1-OE2 2.94Å; R156-E181 IonicContact NH2-OE2 2.73Å; R156-E181 PolarHBondContact NH2-OE2 3.17Å | ||
| 157 | P | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 155.1 | 179 | 33.2 | -37.3 | 0 | 0 | 0 | 111.4 | L147 A150 V151 I180 G237 | L147-P157 HydrophobicContact CD2-CB 3.83Å; L147-P157 HydrophobicContact CD2-CG 3.58Å; A150-P157 HydrophobicContact CB-CG 3.89Å; V151-P157 HydrophobicContact CG1-CG 4.32Å; P157-I180 HydrophobicContact CG-CB 4.5Å; P157-I180 PolarHBondContact O-N 3.49Å; P157-G237 WeakPolarHBondContact CA-O 3.49Å |
| 158 | T | 98.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.6 | 170.8 | -59 | 0 | 0 | 0 | 0 | 110.2 | V160 A177 L178 F223 G237 C238 I239 | T158-V160 HydrophobicContact CG2-CG2 4.26Å; T158-A177 HydrophobicContact CG2-CB 3.98Å; T158-L178 CarbonylContact C-O 3.5Å; T158-L178 WeakPolarHBondContact CA-O 3.27Å; T158-F223 HydrophobicContact CG2-CD2 4.08Å; T158-F223 HydrophobicContact CG2-CE2 4.21Å; T158-G237 PolarHBondContact N-O 3.04Å; T158-C238 CarbonylContact O-C 3.59Å; T158-C238 WeakPolarHBondContact O-CA 3.29Å; T158-C238 VanDerWaalsContact O-CB 3.26Å; T158-C238 WeakPolarHBondContact O-CB 3.27Å; T158-I239 PolarHBondContact O-N 2.77Å |
| 159 | L | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.3 | 162.5 | 171.7 | 60.3 | 0 | 0 | 0 | 108.1 | L147 V169 A177 L178 I180 Y190 I239 N241 | L147-L159 HydrophobicContact CD1-CB 3.76Å; L147-L159 HydrophobicContact CD1-CD1 3.84Å; L147-L159 HydrophobicContact CD1-CD2 4.27Å; L147-L159 HydrophobicContact CD1-CG 4.15Å; L159-V169 HydrophobicContact CD2-CG2 3.66Å; L159-V169 HydrophobicContact CG-CG2 4.41Å; L159-A177 CarbonylContact O-C 3.32Å; L159-A177 WeakPolarHBondContact O-CA 3.49Å; L159-L178 PolarHBondContact N-O 2.92Å; L159-L178 PolarHBondContact O-N 3.03Å; L159-I180 HydrophobicContact CB-CD1 4.04Å; L159-I180 HydrophobicContact CB-CG1 4.07Å; L159-Y190 HydrophobicContact CD2-CD2 4.01Å; L159-Y190 HydrophobicContact CD2-CE2 3.54Å; L159-I239 WeakPolarHBondContact CA-O 2.93Å; L159-N241 HydrophobicContact CD1-CB 4.44Å |
| 160 | V | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.8 | 167.4 | 179 | 0 | 0 | 0 | 0 | 107.4 | T158 L162 S176 A177 C238 I239 I240 N241 F261 | T158-V160 HydrophobicContact CG2-CG2 4.26Å; V160-L162 HydrophobicContact CG1-CD2 3.63Å; V160-L162 HydrophobicContact CG1-CG 3.99Å; V160-S176 CarbonylContact C-O 3.51Å; V160-S176 WeakPolarHBondContact CA-O 3.09Å; V160-A177 HydrophobicContact CG2-CB 4.42Å; V160-C238 HydrophobicContact CG2-CB 4.22Å; V160-I239 PolarHBondContact N-O 3.06Å; V160-I240 HydrophobicContact CB-CB 4.27Å; V160-I240 HydrophobicContact CB-CG1 3.97Å; V160-I240 HydrophobicContact CB-CG2 4.18Å; V160-I240 HydrophobicContact CG1-CG1 4.47Å; V160-I240 HydrophobicContact CG1-CG2 4.08Å; V160-I240 HydrophobicContact CG2-CG1 4.28Å; V160-I240 CarbonylContact O-C 3.55Å; V160-I240 WeakPolarHBondContact O-CA 3.36Å; V160-N241 PolarHBondContact O-N 3.27Å; V160-F261 HydrophobicContact CB-CZ 4.47Å; V160-F261 HydrophobicContact CG1-CE1 4.18Å; V160-F261 HydrophobicContact CG1-CE2 4.26Å; V160-F261 HydrophobicContact CG1-CZ 3.62Å; V160-F261 HydrophobicContact CG2-CE1 3.89Å; V160-F261 HydrophobicContact CG2-CZ 4.19Å |
| 161 | E | 98 | Very high | 95.7 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.7 | -179 | -176.1 | 57.9 | -92.6 | 0 | 0 | 109.7 | D163 V169 M175 S176 N241 | E161-D163 VanDerWaalsContact OE1-CB 3.3Å; E161-D163 WeakPolarHBondContact OE1-CB 3.47Å; E161-D163 PolarHBondContact OE1-N 3.01Å; E161-V169 HydrophobicContact CB-CG2 4.36Å; E161-M175 WeakPolarHBondContact O-CA 3.46Å; E161-S176 PolarHBondContact N-O 3.41Å; E161-S176 PolarHBondContact O-N 2.99Å; E161-N241 WeakPolarHBondContact OE1-CB 3.46Å; E161-N241 PolarHBondContact OE1-ND2 2.97Å; E161-N241 PolarHBondContact OE2-ND2 3.4Å |
| 162 | L | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | trans | -107.5 | 1.3 | 178.5 | -49.3 | -179.6 | 0 | 0 | 0 | 112 | V160 V164 M175 Y212 T216 L219 I240 N241 C257 | V160-L162 HydrophobicContact CG1-CD2 3.63Å; V160-L162 HydrophobicContact CG1-CG 3.99Å; L162-V164 PolarHBondContact O-N 3.16Å; L162-M175 HydrophobicContact CB-CE 4.17Å; L162-M175 HydrophobicContact CD2-CE 3.45Å; L162-M175 VanDerWaalsContact CD2-CE 3.45Å; L162-M175 HydrophobicContact CG-CE 4.33Å; L162-Y212 WeakPolarHBondContact CB-OH 3.3Å; L162-Y212 VanDerWaalsContact O-CE2 3.29Å; L162-Y212 WeakPolarHBondContact O-CE2 3.29Å; L162-Y212 PolarHBondContact O-OH 3.48Å; L162-T216 HydrophobicContact CD1-CG2 4.25Å; L162-L219 HydrophobicContact CD2-CD1 3.84Å; L162-I240 HydrophobicContact CD1-CG2 3.47Å; L162-I240 VanDerWaalsContact CD1-CG2 3.47Å; L162-I240 HydrophobicContact CG-CG2 3.87Å; L162-N241 WeakPolarHBondContact CB-O 3.34Å; L162-N241 PolarHBondContact N-O 3.34Å; L162-C257 HydrophobicContact CD1-CB 4.35Å; L162-C257 WeakPolarHBondContact CD1-SG 3.5Å | ||
| 163 | D | 97.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | trans | -80.6 | 95.8 | 170.3 | -165 | -25.1 | 0 | 0 | 0 | 111.3 | E161 G165 Q166 C243 | E161-D163 VanDerWaalsContact OE1-CB 3.3Å; E161-D163 WeakPolarHBondContact OE1-CB 3.47Å; E161-D163 PolarHBondContact OE1-N 3.01Å; D163-G165 PolarHBondContact O-N 3.32Å; D163-G165 WeakPolarHBondContact OD1-CA 3.5Å; D163-G165 PolarHBondContact OD1-N 2.95Å; D163-Q166 PolarHBondContact OD1-N 3.06Å; D163-Q166 VanDerWaalsContact OD1-N 3.11Å; D163-C243 HydrophobicContact CB-CB 4.33Å | ||
| 164 | V | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -68.2 | -15.5 | 176.3 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | L162 G173 M175 F200 S202 P205 Y212 | L162-V164 PolarHBondContact O-N 3.16Å; V164-G173 WeakPolarHBondContact O-CA 3.48Å; V164-G173 PolarHBondContact O-N 3.13Å; V164-M175 HydrophobicContact CG1-CG 3.55Å; V164-M175 HydrophobicContact CG1-SD 4.32Å; V164-F200 HydrophobicContact CB-CD1 3.78Å; V164-F200 HydrophobicContact CB-CE1 4.31Å; V164-F200 HydrophobicContact CG1-CB 3.97Å; V164-F200 HydrophobicContact CG1-CD1 3.57Å; V164-F200 HydrophobicContact CG1-CE1 4.3Å; V164-F200 HydrophobicContact CG1-CG 3.85Å; V164-F200 HydrophobicContact CG2-CD1 3.89Å; V164-F200 HydrophobicContact CG2-CE1 3.89Å; V164-S202 WeakPolarHBondContact CB-O 3.39Å; V164-P205 HydrophobicContact CG2-CG 3.94Å; V164-Y212 HydrophobicContact CG1-CD2 4.19Å; V164-Y212 HydrophobicContact CG1-CE2 3.98Å |
| 165 | G | 95.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 12.1 Ų | 12.1 | 8% | 0.082 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -88.5 | -34.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D163 T203 R309 | D163-G165 PolarHBondContact O-N 3.32Å; D163-G165 WeakPolarHBondContact OD1-CA 3.5Å; D163-G165 PolarHBondContact OD1-N 2.95Å; G165-T203 VanDerWaalsContact CA-O 3.24Å; G165-T203 WeakPolarHBondContact CA-O 3.21Å; G165-R309 WeakPolarHBondContact O-CD 3.12Å; G165-R309 WeakPolarHBondContact O-CG 3.41Å |
| 166 | Q | 90.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 10.7 Ų | 10.7 | 15% | 0.154 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -139.5 | 75.5 | -177.7 | -63 | -69.6 | -71.4 | 0 | 0 | 110.2 | D163 R305 | D163-Q166 PolarHBondContact OD1-N 3.06Å; D163-Q166 VanDerWaalsContact OD1-N 3.11Å; Q166-R305 PolarHBondContact NE2-O 3.06Å |
| 167 | S | 86.5 | Confident | 96 | Very high | 11 Ų | 11 | 7 Ų | 7 | 8% | 0.077 | 5% | 0.049 | C | C | . | . | trans | -79.1 | 130.3 | -180 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | V169 S170 | S167-V169 PolarHBondContact OG-N 3.47Å; S167-S170 WeakPolarHBondContact CB-O 3.38Å; S167-S170 PolarHBondContact OG-N 2.79Å; S167-S170 PolarHBondContact OG-O 2.92Å | ||
| 168 | G | 86 | Confident | 96 | Very high | 31 Ų | 31 | 7.1 Ų | 7.1 | 32% | 0.32 | 5% | 0.05 | S | C | . | . | S | Bend | trans | -84.5 | -6.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 169 | V | 93.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 7.9 Ų | 7.9 | 4% | 0.042 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -114.9 | -39.5 | -170.1 | 175 | 0 | 0 | 0 | 0 | 112.5 | L159 E161 S167 S176 L178 P195 | L159-V169 HydrophobicContact CD2-CG2 3.66Å; L159-V169 HydrophobicContact CG-CG2 4.41Å; E161-V169 HydrophobicContact CB-CG2 4.36Å; S167-V169 PolarHBondContact OG-N 3.47Å; V169-S176 WeakPolarHBondContact CB-OG 3.27Å; V169-L178 HydrophobicContact CG1-CB 4.03Å; V169-L178 HydrophobicContact CG1-CD2 4.33Å; V169-L178 HydrophobicContact CG2-CB 4.14Å; V169-L178 HydrophobicContact CG2-CD2 4.24Å; V169-P195 HydrophobicContact CG1-CB 3.82Å |
| 170 | S | 94.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 8.1 Ų | 8.1 | 8% | 0.077 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -139 | -171.9 | -175.6 | -162.3 | 0 | 0 | 0 | 0 | 110.7 | S167 K312 F406 | S167-S170 WeakPolarHBondContact CB-O 3.38Å; S167-S170 PolarHBondContact OG-N 2.79Å; S167-S170 PolarHBondContact OG-O 2.92Å; S170-K312 WeakPolarHBondContact O-CG 3.25Å; S170-F406 WeakPolarHBondContact OG-CE2 3.34Å |
| 171 | V | 96.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -64.5 | 156.1 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | T174 I313 Y316 F406 M437 | V171-T174 HydrophobicContact CG2-CG2 3.82Å; V171-T174 WeakPolarHBondContact O-CB 3.35Å; V171-T174 VanDerWaalsContact O-CG2 3.24Å; V171-T174 WeakPolarHBondContact O-CG2 3.37Å; V171-T174 PolarHBondContact O-OG1 2.95Å; V171-I313 HydrophobicContact CB-CG1 4.27Å; V171-I313 HydrophobicContact CG1-CG1 4.37Å; V171-Y316 HydrophobicContact CG1-CD1 4.28Å; V171-Y316 HydrophobicContact CG1-CD2 4.23Å; V171-Y316 HydrophobicContact CG1-CG 3.84Å; V171-F406 HydrophobicContact CG1-CD2 4.2Å; V171-F406 HydrophobicContact CG1-CG 4.42Å; V171-F406 HydrophobicContact CG2-CD1 3.54Å; V171-F406 HydrophobicContact CG2-CD2 3.72Å; V171-F406 HydrophobicContact CG2-CE1 3.48Å; V171-F406 VanDerWaalsContact CG2-CE1 3.48Å; V171-F406 HydrophobicContact CG2-CE2 3.7Å; V171-F406 HydrophobicContact CG2-CG 3.67Å; V171-F406 HydrophobicContact CG2-CZ 3.59Å; V171-M437 HydrophobicContact CG2-CE 4.46Å |
| 172 | P | 97.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.013 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -57.5 | 156.3 | 174.2 | -20.1 | 32.1 | 0 | 0 | 0 | 111.8 | T203 R309 I313 M437 I439 | P172-T203 HydrophobicContact CB-CG2 4.45Å; P172-R309 HydrophobicContact CB-CB 4.32Å; P172-R309 HydrophobicContact CB-CG 3.83Å; P172-R309 HydrophobicContact CG-CB 3.59Å; P172-R309 HydrophobicContact CG-CG 3.49Å; P172-R309 VanDerWaalsContact CG-CG 3.49Å; P172-I313 HydrophobicContact CG-CG1 4.45Å; P172-M437 WeakPolarHBondContact O-CE 3.38Å; P172-I439 HydrophobicContact CB-CD1 4.03Å; P172-I439 WeakPolarHBondContact O-CD1 3.48Å |
| 173 | G | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 77.2 | 23.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | V164 F200 G201 S202 M437 | V164-G173 WeakPolarHBondContact O-CA 3.48Å; V164-G173 PolarHBondContact O-N 3.13Å; G173-F200 CarbonylContact O-C 3.56Å; G173-F200 WeakPolarHBondContact O-CA 3.33Å; G173-F200 WeakPolarHBondContact O-CB 3.42Å; G173-F200 PolarHBondContact O-N 3.34Å; G173-G201 PolarHBondContact O-N 3.31Å; G173-S202 VanDerWaalsContact CA-O 3.29Å; G173-S202 WeakPolarHBondContact CA-O 3.32Å; G173-M437 VanDerWaalsContact O-CE 3.28Å; G173-M437 WeakPolarHBondContact O-CE 3.41Å |
| 174 | T | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.2 | 179.5 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | V171 V197 Y198 F406 M437 | V171-T174 HydrophobicContact CG2-CG2 3.82Å; V171-T174 WeakPolarHBondContact O-CB 3.35Å; V171-T174 VanDerWaalsContact O-CG2 3.24Å; V171-T174 WeakPolarHBondContact O-CG2 3.37Å; V171-T174 PolarHBondContact O-OG1 2.95Å; T174-V197 HydrophobicContact CG2-CG1 3.85Å; T174-Y198 VanDerWaalsContact CA-O 3.31Å; T174-Y198 WeakPolarHBondContact CA-O 3.43Å; T174-F406 HydrophobicContact CG2-CE1 3.71Å; T174-F406 HydrophobicContact CG2-CE2 4.4Å; T174-F406 HydrophobicContact CG2-CZ 3.39Å; T174-M437 HydrophobicContact CG2-CE 4.1Å |
| 175 | M | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.1 | 166.6 | -57.6 | 174.9 | 69.1 | 0 | 0 | 107 | E161 L162 V164 Y198 F200 Y212 L215 T216 L219 | E161-M175 WeakPolarHBondContact O-CA 3.46Å; L162-M175 HydrophobicContact CB-CE 4.17Å; L162-M175 HydrophobicContact CD2-CE 3.45Å; L162-M175 VanDerWaalsContact CD2-CE 3.45Å; L162-M175 HydrophobicContact CG-CE 4.33Å; V164-M175 HydrophobicContact CG1-CG 3.55Å; V164-M175 HydrophobicContact CG1-SD 4.32Å; M175-Y198 PolarHBondContact N-O 3.43Å; M175-Y198 VanDerWaalsContact N-O 3.16Å; M175-Y198 PolarHBondContact O-N 2.9Å; M175-F200 HydrophobicContact CG-CB 4.48Å; M175-Y212 HydrophobicContact CE-CD2 3.93Å; M175-Y212 HydrophobicContact CE-CE2 3.7Å; M175-Y212 HydrophobicContact CE-CG 4.44Å; M175-Y212 HydrophobicContact CG-CE2 4.47Å; M175-Y212 HydrophobicContact SD-CD2 3.62Å; M175-Y212 HydrophobicContact SD-CE2 3.84Å; M175-Y212 HydrophobicContact SD-CG 4.34Å; M175-L215 HydrophobicContact CE-CB 4.37Å; M175-L215 HydrophobicContact SD-CB 3.6Å; M175-L215 HydrophobicContact SD-CD1 3.95Å; M175-L215 HydrophobicContact SD-CG 4.44Å; M175-T216 VanDerWaalsContact CE-OG1 3.27Å; M175-T216 WeakPolarHBondContact CE-OG1 3.38Å; M175-L219 HydrophobicContact CB-CD1 3.66Å; M175-L219 HydrophobicContact CE-CD1 4.4Å |
| 176 | S | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162.9 | -169 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | V160 E161 V169 L196 | V160-S176 CarbonylContact C-O 3.51Å; V160-S176 WeakPolarHBondContact CA-O 3.09Å; E161-S176 PolarHBondContact N-O 3.41Å; E161-S176 PolarHBondContact O-N 2.99Å; V169-S176 WeakPolarHBondContact CB-OG 3.27Å; S176-L196 CarbonylContact C-O 3.54Å; S176-L196 WeakPolarHBondContact CA-O 3.28Å; S176-L196 WeakPolarHBondContact CB-O 3.46Å |
| 177 | A | 98.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 135.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | T158 L159 V160 L196 L219 | T158-A177 HydrophobicContact CG2-CB 3.98Å; L159-A177 CarbonylContact O-C 3.32Å; L159-A177 WeakPolarHBondContact O-CA 3.49Å; V160-A177 HydrophobicContact CG2-CB 4.42Å; A177-L196 HydrophobicContact CB-CB 4.34Å; A177-L196 PolarHBondContact N-O 2.89Å; A177-L196 PolarHBondContact O-N 2.94Å; A177-L219 HydrophobicContact CB-CD2 4.07Å |
| 178 | L | 97.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.7 | -179.2 | 179.9 | 66.4 | 0 | 0 | 0 | 110.3 | T158 L159 V169 I180 Y190 V192 P195 | T158-L178 CarbonylContact C-O 3.5Å; T158-L178 WeakPolarHBondContact CA-O 3.27Å; L159-L178 PolarHBondContact N-O 2.92Å; L159-L178 PolarHBondContact O-N 3.03Å; V169-L178 HydrophobicContact CG1-CB 4.03Å; V169-L178 HydrophobicContact CG1-CD2 4.33Å; V169-L178 HydrophobicContact CG2-CB 4.14Å; V169-L178 HydrophobicContact CG2-CD2 4.24Å; L178-I180 HydrophobicContact CB-CD1 4.36Å; L178-I180 HydrophobicContact CD2-CD1 3.77Å; L178-I180 HydrophobicContact CG-CD1 3.87Å; L178-I180 PolarHBondContact O-N 3.48Å; L178-Y190 HydrophobicContact CD2-CG 4.38Å; L178-V192 HydrophobicContact CD2-CG2 4.3Å; L178-P195 HydrophobicContact CD1-CB 4.21Å |
| 179 | C | 97.1 | Very high | 95 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 13% | 0.128 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 122.9 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | R226 | C179-R226 PolarHBondContact SG-NH2 2.8Å |
| 180 | I | 97.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | trans | -94.4 | 113.2 | 179.8 | -49.2 | -55.6 | 0 | 0 | 0 | 108.2 | L147 V151 P157 L159 L178 R182 Y190 | L147-I180 HydrophobicContact CB-CG1 4.48Å; L147-I180 HydrophobicContact CD1-CG1 4.13Å; L147-I180 HydrophobicContact CD2-CB 4.43Å; L147-I180 HydrophobicContact CD2-CG1 3.87Å; L147-I180 HydrophobicContact CG-CG1 4.38Å; V151-I180 HydrophobicContact CG1-CB 4.18Å; V151-I180 HydrophobicContact CG1-CG2 3.77Å; V151-I180 WeakPolarHBondContact CG1-O 3.41Å; P157-I180 HydrophobicContact CG-CB 4.5Å; P157-I180 PolarHBondContact O-N 3.49Å; L159-I180 HydrophobicContact CB-CD1 4.04Å; L159-I180 HydrophobicContact CB-CG1 4.07Å; L178-I180 HydrophobicContact CB-CD1 4.36Å; L178-I180 HydrophobicContact CD2-CD1 3.77Å; L178-I180 HydrophobicContact CG-CD1 3.87Å; L178-I180 PolarHBondContact O-N 3.48Å; I180-R182 VanDerWaalsContact CG2-O 3.31Å; I180-R182 WeakPolarHBondContact CG2-O 3.43Å; I180-Y190 HydrophobicContact CD1-CD1 3.78Å; I180-Y190 HydrophobicContact CD1-CE1 4.18Å; I180-Y190 HydrophobicContact CD1-CG 4.29Å | ||
| 181 | E | 94.6 | Very high | 94.7 | Very high | 95 Ų | 95 | 29.7 Ų | 29.7 | 44% | 0.444 | 15% | 0.15 | S | C | . | . | trans | -105.9 | -17.5 | -179.3 | -55.5 | -156.4 | 166.3 | 0 | 0 | 113.5 | R156 | R156-E181 IonicContact CZ-OE1 2.73Å; R156-E181 IonicContact CZ-OE2 3.94Å; R156-E181 IonicContact NH1-OE1 2.94Å; R156-E181 PolarHBondContact NH1-OE1 3.39Å; R156-E181 IonicContact NH1-OE2 3.91Å; R156-E181 PolarHBondContact NH1-OE2 2.94Å; R156-E181 IonicContact NH2-OE2 2.73Å; R156-E181 PolarHBondContact NH2-OE2 3.17Å | ||
| 182 | R | 94.8 | Very high | 94.4 | Very high | 140 Ų | 140 | 32.7 Ų | 32.7 | 53% | 0.528 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -144.4 | 154.3 | -179.8 | 56.1 | -176 | 173.8 | 160.5 | 4 | 109.7 | I180 S191 | I180-R182 VanDerWaalsContact CG2-O 3.31Å; I180-R182 WeakPolarHBondContact CG2-O 3.43Å; R182-S191 PolarHBondContact NE-OG 2.81Å; R182-S191 VanDerWaalsContact NH2-CB 3.27Å; R182-S191 PolarHBondContact NH2-OG 3.44Å |
| 183 | P | 94.6 | Very high | 94 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 31% | 0.312 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -53 | 148.2 | 172.8 | -24.1 | 32.9 | 0 | 0 | 0 | 110.3 | V151 R152 D185 | V151-P183 HydrophobicContact CG2-CB 4.37Å; V151-P183 HydrophobicContact CG2-CG 3.81Å; R152-P183 HydrophobicContact CG-CG 4.1Å; P183-D185 PolarHBondContact O-N 2.95Å |
| 184 | A | 93.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 136.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S59 R144 G189 Y190 | S59-A184 VanDerWaalsContact CB-O 3.25Å; S59-A184 WeakPolarHBondContact CB-O 3.31Å; S59-A184 PolarHBondContact OG-O 2.94Å; R144-A184 HydrophobicContact CG-CB 4.23Å; A184-G189 CarbonylContact C-O 3.53Å; A184-G189 VanDerWaalsContact CA-O 3.26Å; A184-G189 WeakPolarHBondContact CA-O 3.35Å; A184-Y190 HydrophobicContact CB-CD1 3.86Å; A184-Y190 HydrophobicContact CB-CE1 4.08Å |
| 185 | D | 93.3 | Very high | 93.6 | Very high | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 144.4 | 169.6 | -175.5 | -84.3 | 0 | 0 | 0 | 109.5 | K65 R144 P183 E187 E188 G189 | K65-D185 IonicContact NZ-OD2 3.78Å; R144-D185 PolarHBondContact NH2-O 3.03Å; P183-D185 PolarHBondContact O-N 2.95Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.48Å; D185-E187 WeakPolarHBondContact OD1-CA 2.81Å; D185-E187 PolarHBondContact OD1-N 3.04Å; D185-E188 HydrophobicContact CB-CB 3.93Å; D185-E188 HydrophobicContact CB-CG 4.03Å; D185-E188 PolarHBondContact OD1-N 3.28Å; D185-G189 PolarHBondContact N-O 3.4Å; D185-G189 WeakPolarHBondContact O-CA 3.25Å; D185-G189 PolarHBondContact O-N 3.02Å |
| 186 | V | 92.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -37.9 | -175.6 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | V56 L61 Y67 F69 | V56-V186 HydrophobicContact CB-CG1 4.15Å; V56-V186 HydrophobicContact CG1-CG1 4.36Å; V56-V186 HydrophobicContact CG2-CG1 4.19Å; L61-V186 HydrophobicContact CD2-CG1 4.16Å; L61-V186 HydrophobicContact CD2-CG2 3.69Å; Y67-V186 HydrophobicContact CD1-CB 3.66Å; Y67-V186 HydrophobicContact CD1-CG1 3.78Å; Y67-V186 HydrophobicContact CD1-CG2 4.16Å; Y67-V186 HydrophobicContact CE1-CB 3.89Å; Y67-V186 HydrophobicContact CE1-CG1 4.35Å; Y67-V186 HydrophobicContact CE1-CG2 3.9Å; Y67-V186 HydrophobicContact CG-CB 4.49Å; Y67-V186 HydrophobicContact CG-CG1 4.13Å; F69-V186 HydrophobicContact CE1-CG1 3.86Å; F69-V186 HydrophobicContact CZ-CG1 3.57Å |
| 187 | E | 89.1 | Confident | 93.5 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -45.6 | -179.7 | -63 | 173.6 | 100.5 | 0 | 0 | 111.3 | Y67 T68 D185 | Y67-E187 HydrophobicContact CD1-CG 4.26Å; T68-E187 WeakPolarHBondContact CA-OE1 3.21Å; T68-E187 PolarHBondContact N-OE1 3.49Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.48Å; D185-E187 WeakPolarHBondContact OD1-CA 2.81Å; D185-E187 PolarHBondContact OD1-N 3.04Å |
| 188 | E | 85.8 | Confident | 93.5 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -21.9 | -170.2 | -40.4 | 177.3 | 171.2 | 0 | 0 | 113.3 | D185 F320 | D185-E188 HydrophobicContact CB-CB 3.93Å; D185-E188 HydrophobicContact CB-CG 4.03Å; D185-E188 PolarHBondContact OD1-N 3.28Å; E188-F320 HydrophobicContact CB-CD2 3.91Å; E188-F320 HydrophobicContact CB-CE1 4.43Å; E188-F320 HydrophobicContact CB-CE2 3.79Å; E188-F320 HydrophobicContact CB-CG 4.37Å; E188-F320 HydrophobicContact CB-CZ 4.02Å; E188-F320 HydrophobicContact CG-CD2 3.57Å; E188-F320 HydrophobicContact CG-CE2 3.16Å; E188-F320 HydrophobicContact CG-CG 4.48Å; E188-F320 HydrophobicContact CG-CZ 3.71Å; E188-F320 WeakPolarHBondContact OE1-CE2 3.47Å; E188-F320 WeakPolarHBondContact OE1-CZ 3.47Å; E188-F320 WeakPolarHBondContact OE2-CZ 3.26Å |
| 189 | G | 90.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | 77.9 | -141.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A184 D185 | A184-G189 CarbonylContact C-O 3.53Å; A184-G189 VanDerWaalsContact CA-O 3.26Å; A184-G189 WeakPolarHBondContact CA-O 3.35Å; D185-G189 PolarHBondContact N-O 3.4Å; D185-G189 WeakPolarHBondContact O-CA 3.25Å; D185-G189 PolarHBondContact O-N 3.02Å |
| 190 | Y | 92.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -72.7 | 140.6 | -174.8 | -59.6 | -65.7 | 0 | 0 | 0 | 112.1 | R144 L147 L159 L178 I180 A184 V192 | R144-Y190 WeakPolarHBondContact CA-OH 3.43Å; R144-Y190 WeakPolarHBondContact CB-OH 3.24Å; R144-Y190 HydrophobicContact CG-CE1 4.36Å; R144-Y190 PolarHBondContact N-OH 3.49Å; L147-Y190 HydrophobicContact CD1-CE1 4.18Å; L159-Y190 HydrophobicContact CD2-CD2 4.01Å; L159-Y190 HydrophobicContact CD2-CE2 3.54Å; L178-Y190 HydrophobicContact CD2-CG 4.38Å; I180-Y190 HydrophobicContact CD1-CD1 3.78Å; I180-Y190 HydrophobicContact CD1-CE1 4.18Å; I180-Y190 HydrophobicContact CD1-CG 4.29Å; A184-Y190 HydrophobicContact CB-CD1 3.86Å; A184-Y190 HydrophobicContact CB-CE1 4.08Å; Y190-V192 PolarHBondContact O-N 2.9Å |
| 191 | S | 90.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | trans | -71.7 | 95.8 | 167.4 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | R182 Q193 | R182-S191 PolarHBondContact NE-OG 2.81Å; R182-S191 VanDerWaalsContact NH2-CB 3.27Å; R182-S191 PolarHBondContact NH2-OG 3.44Å; S191-Q193 PolarHBondContact O-N 2.86Å | ||
| 192 | V | 90.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 43 Ų | 43 | 39% | 0.394 | 24% | 0.236 | S | C | . | . | trans | -77.2 | 94.5 | -178 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | L178 Y190 P195 | L178-V192 HydrophobicContact CD2-CG2 4.3Å; Y190-V192 PolarHBondContact O-N 2.9Å; V192-P195 HydrophobicContact CG1-CB 4.08Å; V192-P195 HydrophobicContact CG1-CG 3.55Å | ||
| 193 | Q | 89.3 | Confident | 93.7 | Very high | 127 Ų | 127 | 38.8 Ų | 38.8 | 59% | 0.593 | 23% | 0.226 | S | C | * | . | trans | -117.5 | 119.3 | 174.9 | -70 | -177.5 | -16.3 | 0 | 0 | 109.9 | S191 | S191-Q193 PolarHBondContact O-N 2.86Š| ||
| 194 | A | 91.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 39.7 Ų | 39.7 | 81% | 0.81 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 44.3 | 55.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 195 | P | 95.9 | Very high | 93.8 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | trans | -65.5 | 146.4 | 174.7 | 32 | -36.8 | 0 | 0 | 0 | 110.3 | V169 L178 V192 V197 | V169-P195 HydrophobicContact CG1-CB 3.82Å; L178-P195 HydrophobicContact CD1-CB 4.21Å; V192-P195 HydrophobicContact CG1-CB 4.08Å; V192-P195 HydrophobicContact CG1-CG 3.55Å; P195-V197 HydrophobicContact CB-CG2 3.88Å; P195-V197 HydrophobicContact CG-CG2 3.91Å | ||
| 196 | L | 96.9 | Very high | 93.9 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.8 | 164.4 | 178.3 | 66.6 | 0 | 0 | 0 | 107.6 | S176 A177 Y198 L219 V222 P402 | S176-L196 CarbonylContact C-O 3.54Å; S176-L196 WeakPolarHBondContact CA-O 3.28Å; S176-L196 WeakPolarHBondContact CB-O 3.46Å; A177-L196 HydrophobicContact CB-CB 4.34Å; A177-L196 PolarHBondContact N-O 2.89Å; A177-L196 PolarHBondContact O-N 2.94Å; L196-Y198 HydrophobicContact CD1-CE2 4.18Å; L196-Y198 HydrophobicContact CD2-CE2 3.94Å; L196-Y198 HydrophobicContact CG-CD2 4.49Å; L196-Y198 HydrophobicContact CG-CE2 3.91Å; L196-L219 HydrophobicContact CD2-CD2 3.84Å; L196-L219 HydrophobicContact CG-CD2 4.24Å; L196-V222 HydrophobicContact CD2-CB 3.88Å; L196-V222 HydrophobicContact CD2-CG1 3.5Å; L196-V222 VanDerWaalsContact CD2-CG1 3.5Å; L196-V222 HydrophobicContact CD2-CG2 4.48Å; L196-P402 HydrophobicContact CD1-CB 3.7Å; L196-P402 HydrophobicContact CD1-CG 4.17Å |
| 197 | V | 97.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.7 | -175.4 | -172.6 | 0 | 0 | 0 | 0 | 110 | T174 P195 P402 V403 F406 | T174-V197 HydrophobicContact CG2-CG1 3.85Å; P195-V197 HydrophobicContact CB-CG2 3.88Å; P195-V197 HydrophobicContact CG-CG2 3.91Å; V197-P402 CarbonylContact O-C 3.54Å; V197-P402 WeakPolarHBondContact O-CA 3.29Å; V197-P402 WeakPolarHBondContact O-CB 3.18Å; V197-V403 HydrophobicContact CB-CG2 3.94Å; V197-V403 HydrophobicContact CG1-CG2 3.86Å; V197-V403 PolarHBondContact O-N 3.29Å; V197-F406 HydrophobicContact CG1-CE2 4.31Å; V197-F406 HydrophobicContact CG1-CZ 3.9Å |
| 198 | Y | 97.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.4 | 174.7 | -74 | -74.7 | 0 | 0 | 0 | 111.4 | T174 M175 L196 F200 L215 L219 E400 P402 | T174-Y198 VanDerWaalsContact CA-O 3.31Å; T174-Y198 WeakPolarHBondContact CA-O 3.43Å; M175-Y198 PolarHBondContact N-O 3.43Å; M175-Y198 VanDerWaalsContact N-O 3.16Å; M175-Y198 PolarHBondContact O-N 2.9Å; L196-Y198 HydrophobicContact CD1-CE2 4.18Å; L196-Y198 HydrophobicContact CD2-CE2 3.94Å; L196-Y198 HydrophobicContact CG-CD2 4.49Å; L196-Y198 HydrophobicContact CG-CE2 3.91Å; Y198-F200 PolarHBondContact O-N 2.74Å; Y198-L215 HydrophobicContact CD1-CD2 4.02Å; Y198-L215 HydrophobicContact CG-CD2 4.11Å; Y198-L219 HydrophobicContact CD2-CD1 4.25Å; Y198-L219 HydrophobicContact CD2-CD2 3.62Å; Y198-L219 HydrophobicContact CD2-CG 3.59Å; Y198-L219 HydrophobicContact CE2-CD2 3.64Å; Y198-L219 HydrophobicContact CE2-CG 3.73Å; Y198-E400 VanDerWaalsContact CE1-O 3.23Å; Y198-E400 WeakPolarHBondContact CE1-O 3.38Å; Y198-P402 HydrophobicContact CE1-CB 4.31Å |
| 199 | H | 97.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.3 | 171.4 | 174 | 96.9 | 0 | 0 | 0 | 110.1 | L215 S380 V403 L435 I436 | H199-L215 VanDerWaalsContact O-CD1 3.27Å; H199-L215 WeakPolarHBondContact O-CD1 3.19Å; H199-S380 PolarHBondContact ND1-OG 3.48Å; H199-V403 HydrophobicContact CB-CG1 3.86Å; H199-L435 HydrophobicContact CB-CD1 3.64Å; H199-I436 PolarHBondContact CE1-O 2.96Å |
| 200 | F | 97.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | trans | -105.4 | -35 | 163 | 176.3 | -106 | 0 | 0 | 0 | 111.4 | V164 G173 M175 Y198 S202 T204 T207 N208 L211 Y212 L215 | V164-F200 HydrophobicContact CB-CD1 3.78Å; V164-F200 HydrophobicContact CB-CE1 4.31Å; V164-F200 HydrophobicContact CG1-CB 3.97Å; V164-F200 HydrophobicContact CG1-CD1 3.57Å; V164-F200 HydrophobicContact CG1-CE1 4.3Å; V164-F200 HydrophobicContact CG1-CG 3.85Å; V164-F200 HydrophobicContact CG2-CD1 3.89Å; V164-F200 HydrophobicContact CG2-CE1 3.89Å; G173-F200 CarbonylContact O-C 3.56Å; G173-F200 WeakPolarHBondContact O-CA 3.33Å; G173-F200 WeakPolarHBondContact O-CB 3.42Å; G173-F200 PolarHBondContact O-N 3.34Å; M175-F200 HydrophobicContact CG-CB 4.48Å; Y198-F200 PolarHBondContact O-N 2.74Å; F200-S202 WeakPolarHBondContact CD1-O 3.37Å; F200-S202 WeakPolarHBondContact CE1-O 3.29Å; F200-S202 PolarHBondContact O-N 2.73Å; F200-T204 WeakPolarHBondContact CE1-O 3.39Å; F200-T207 WeakPolarHBondContact CZ-OG1 3.49Å; F200-N208 HydrophobicContact CE2-CB 4.3Å; F200-N208 WeakPolarHBondContact CE2-O 3.34Å; F200-L211 HydrophobicContact CD2-CB 4.46Å; F200-L211 HydrophobicContact CD2-CD2 3.89Å; F200-L211 HydrophobicContact CD2-CG 4.04Å; F200-L211 HydrophobicContact CE2-CB 4.31Å; F200-L211 HydrophobicContact CE2-CD2 4.26Å; F200-L211 HydrophobicContact CE2-CG 4.37Å; F200-Y212 HydrophobicContact CE2-CD2 4.39Å; F200-L215 HydrophobicContact CB-CD1 3.96Å; F200-L215 HydrophobicContact CD2-CD1 4.18Å | ||
| 201 | G | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | trans | 88.3 | -8.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G173 M437 D438 | G173-G201 PolarHBondContact O-N 3.31Å; G201-M437 CarbonylContact O-C 3.5Å; G201-M437 WeakPolarHBondContact O-CA 3.35Å; G201-D438 PolarHBondContact O-N 2.99Å | ||
| 202 | S | 96.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -136 | 157 | -178.1 | 177 | 0 | 0 | 0 | 0 | 113.3 | V164 G173 F200 T204 T207 | V164-S202 WeakPolarHBondContact CB-O 3.39Å; G173-S202 VanDerWaalsContact CA-O 3.29Å; G173-S202 WeakPolarHBondContact CA-O 3.32Å; F200-S202 WeakPolarHBondContact CD1-O 3.37Å; F200-S202 WeakPolarHBondContact CE1-O 3.29Å; F200-S202 PolarHBondContact O-N 2.73Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 2.93Å; S202-T207 WeakPolarHBondContact CB-OG1 3.49Å; S202-T207 WeakPolarHBondContact OG-CG2 3.32Å; S202-T207 PolarHBondContact OG-OG1 3.32Å; S202-T207 VanDerWaalsContact OG-OG1 3.08Å |
| 203 | T | 96.4 | Very high | 95.6 | Very high | 52 Ų | 52 | 36 Ų | 36 | 32% | 0.319 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -85.1 | -0.1 | -177.9 | 58.1 | 0 | 0 | 0 | 0 | 114 | G165 P172 R309 I439 | G165-T203 VanDerWaalsContact CA-O 3.24Å; G165-T203 WeakPolarHBondContact CA-O 3.21Å; P172-T203 HydrophobicContact CB-CG2 4.45Å; T203-R309 VanDerWaalsContact CG2-CD 3.49Å; T203-I439 HydrophobicContact CG2-CD1 3.87Å; T203-I439 HydrophobicContact CG2-CG1 3.84Å |
| 204 | T | 95.2 | Very high | 96 | Very high | 66 Ų | 66 | 33.7 Ų | 33.7 | 41% | 0.405 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -139.7 | 132.3 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | F200 S202 G206 T207 | F200-T204 WeakPolarHBondContact CE1-O 3.39Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 2.93Å; T204-G206 PolarHBondContact O-N 3.01Å; T204-G206 VanDerWaalsContact O-N 3.11Å; T204-G206 PolarHBondContact OG1-N 3.29Å; T204-T207 HydrophobicContact CG2-CG2 3.78Å; T204-T207 PolarHBondContact O-N 3.48Å; T204-T207 PolarHBondContact O-OG1 2.76Å |
| 205 | P | 95.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -57.2 | -27.7 | 177.6 | -24.7 | 34.3 | 0 | 0 | 0 | 113.5 | V164 T207 N208 I209 Y212 C243 W245 | V164-P205 HydrophobicContact CG2-CG 3.94Å; P205-T207 PolarHBondContact O-N 3.3Å; P205-T207 VanDerWaalsContact O-N 3.12Å; P205-N208 CarbonylContact O-C 3.57Å; P205-N208 VanDerWaalsContact O-C 3.32Å; P205-N208 PolarHBondContact O-N 3.27Å; P205-N208 VanDerWaalsContact O-N 3.12Å; P205-I209 HydrophobicContact CB-CD1 4.24Å; P205-I209 PolarHBondContact O-N 2.88Å; P205-Y212 HydrophobicContact CB-CD1 4.21Å; P205-Y212 HydrophobicContact CB-CD2 3.75Å; P205-Y212 HydrophobicContact CB-CE1 4.44Å; P205-Y212 HydrophobicContact CB-CE2 4.02Å; P205-Y212 HydrophobicContact CB-CG 3.84Å; P205-Y212 HydrophobicContact CG-CD2 3.94Å; P205-Y212 HydrophobicContact CG-CE2 3.71Å; P205-Y212 HydrophobicContact CG-CG 4.44Å; P205-C243 HydrophobicContact CG-CB 4.37Å; P205-W245 HydrophobicContact CB-CE3 4.11Å; P205-W245 HydrophobicContact CB-CZ3 4.22Å |
| 206 | G | 94.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 27 Ų | 27 | 46% | 0.464 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -63 | -17.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T204 N208 | T204-G206 PolarHBondContact O-N 3.01Å; T204-G206 VanDerWaalsContact O-N 3.11Å; T204-G206 PolarHBondContact OG1-N 3.29Å; G206-N208 VanDerWaalsContact C-N 3.31Å |
| 207 | T | 94.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 27.1 Ų | 27.1 | 45% | 0.448 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -65.8 | -33.6 | 173.6 | 49.7 | 0 | 0 | 0 | 0 | 113 | F200 S202 T204 P205 | F200-T207 WeakPolarHBondContact CZ-OG1 3.49Å; S202-T207 WeakPolarHBondContact CB-OG1 3.49Å; S202-T207 WeakPolarHBondContact OG-CG2 3.32Å; S202-T207 PolarHBondContact OG-OG1 3.32Å; S202-T207 VanDerWaalsContact OG-OG1 3.08Å; T204-T207 HydrophobicContact CG2-CG2 3.78Å; T204-T207 PolarHBondContact O-N 3.48Å; T204-T207 PolarHBondContact O-OG1 2.76Å; P205-T207 PolarHBondContact O-N 3.3Å; P205-T207 VanDerWaalsContact O-N 3.12Å |
| 208 | N | 94.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | trans | -158.9 | 80.2 | 178.6 | -167.1 | -22.6 | 0 | 0 | 0 | 110.7 | F200 P205 G206 K210 L211 Y212 Q362 | F200-N208 HydrophobicContact CE2-CB 4.3Å; F200-N208 WeakPolarHBondContact CE2-O 3.34Å; P205-N208 CarbonylContact O-C 3.57Å; P205-N208 VanDerWaalsContact O-C 3.32Å; P205-N208 PolarHBondContact O-N 3.27Å; P205-N208 VanDerWaalsContact O-N 3.12Å; G206-N208 VanDerWaalsContact C-N 3.31Å; N208-K210 PolarHBondContact O-N 3.19Å; N208-L211 HydrophobicContact CB-CB 4.02Å; N208-L211 VanDerWaalsContact CG-CB 3.42Å; N208-L211 PolarHBondContact O-N 3.34Å; N208-L211 WeakPolarHBondContact OD1-CB 3.23Å; N208-L211 PolarHBondContact OD1-N 2.82Å; N208-Y212 PolarHBondContact O-N 3.48Å; N208-Q362 PolarHBondContact ND2-O 3.34Å | ||
| 209 | I | 95.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 20% | 0.2 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -29.8 | -174.8 | -163.8 | 58 | 0 | 0 | 0 | 112.8 | P205 Y212 N213 W245 A253 | P205-I209 HydrophobicContact CB-CD1 4.24Å; P205-I209 PolarHBondContact O-N 2.88Å; I209-Y212 HydrophobicContact CD1-CD1 4.21Å; I209-Y212 PolarHBondContact O-N 3.29Å; I209-N213 PolarHBondContact O-N 2.95Å; I209-W245 HydrophobicContact CD1-CZ3 3.96Å; I209-A253 HydrophobicContact CD1-CB 3.97Å |
| 210 | K | 94.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 26.6 Ų | 26.6 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66 | -46.1 | 175.4 | -73.8 | -165.4 | -169.8 | -163.4 | 0 | 111.9 | N208 Y212 N213 K214 D359 Q362 L363 | N208-K210 PolarHBondContact O-N 3.19Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; K210-N213 PolarHBondContact O-N 3.4Å; K210-K214 VanDerWaalsContact O-CB 3.28Å; K210-K214 WeakPolarHBondContact O-CB 3.27Å; K210-K214 PolarHBondContact O-N 2.84Å; K210-D359 WeakPolarHBondContact CE-OD1 3.44Å; K210-D359 VanDerWaalsContact CE-OD2 3.23Å; K210-D359 WeakPolarHBondContact CE-OD2 3.43Å; K210-D359 PolarHBondContact NZ-O 2.85Å; K210-D359 IonicContact NZ-OD1 2.7Å; K210-D359 PolarHBondContact NZ-OD1 3.43Å; K210-D359 IonicContact NZ-OD2 3.99Å; K210-D359 PolarHBondContact NZ-OD2 2.96Å; K210-Q362 HydrophobicContact CD-CB 4.35Å; K210-L363 HydrophobicContact CB-CD2 4.24Å |
| 211 | L | 95.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 174.4 | -179.1 | 63.2 | 0 | 0 | 0 | 110.6 | F200 N208 N213 K214 L215 I342 L363 | F200-L211 HydrophobicContact CD2-CB 4.46Å; F200-L211 HydrophobicContact CD2-CD2 3.89Å; F200-L211 HydrophobicContact CD2-CG 4.04Å; F200-L211 HydrophobicContact CE2-CB 4.31Å; F200-L211 HydrophobicContact CE2-CD2 4.26Å; F200-L211 HydrophobicContact CE2-CG 4.37Å; N208-L211 HydrophobicContact CB-CB 4.02Å; N208-L211 VanDerWaalsContact CG-CB 3.42Å; N208-L211 PolarHBondContact O-N 3.34Å; N208-L211 WeakPolarHBondContact OD1-CB 3.23Å; N208-L211 PolarHBondContact OD1-N 2.82Å; L211-N213 PolarHBondContact O-N 2.91Å; L211-K214 PolarHBondContact O-N 2.6Å; L211-L215 HydrophobicContact CD1-CD1 4.15Å; L211-L215 HydrophobicContact CD1-CD2 4.37Å; L211-L215 HydrophobicContact CD1-CG 3.99Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 HydrophobicContact CG-CG 4.22Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 3.44Å; L211-I342 HydrophobicContact CD1-CD1 4.36Å; L211-I342 HydrophobicContact CD1-CG2 4.11Å; L211-I342 HydrophobicContact CD2-CB 4.15Å; L211-I342 HydrophobicContact CD2-CD1 4.09Å; L211-I342 HydrophobicContact CD2-CG2 3.73Å; L211-I342 HydrophobicContact CG-CG2 4.44Å; L211-L363 HydrophobicContact CB-CD2 3.94Å; L211-L363 HydrophobicContact CD1-CD2 4.2Å |
| 212 | Y | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.3 | -47.8 | 177.8 | -174 | -97 | 0 | 0 | 0 | 112.4 | L162 V164 M175 F200 P205 N208 I209 K210 L215 T216 A253 | L162-Y212 WeakPolarHBondContact CB-OH 3.3Å; L162-Y212 VanDerWaalsContact O-CE2 3.29Å; L162-Y212 WeakPolarHBondContact O-CE2 3.29Å; L162-Y212 PolarHBondContact O-OH 3.48Å; V164-Y212 HydrophobicContact CG1-CD2 4.19Å; V164-Y212 HydrophobicContact CG1-CE2 3.98Å; M175-Y212 HydrophobicContact CE-CD2 3.93Å; M175-Y212 HydrophobicContact CE-CE2 3.7Å; M175-Y212 HydrophobicContact CE-CG 4.44Å; M175-Y212 HydrophobicContact CG-CE2 4.47Å; M175-Y212 HydrophobicContact SD-CD2 3.62Å; M175-Y212 HydrophobicContact SD-CE2 3.84Å; M175-Y212 HydrophobicContact SD-CG 4.34Å; F200-Y212 HydrophobicContact CE2-CD2 4.39Å; P205-Y212 HydrophobicContact CB-CD1 4.21Å; P205-Y212 HydrophobicContact CB-CD2 3.75Å; P205-Y212 HydrophobicContact CB-CE1 4.44Å; P205-Y212 HydrophobicContact CB-CE2 4.02Å; P205-Y212 HydrophobicContact CB-CG 3.84Å; P205-Y212 HydrophobicContact CG-CD2 3.94Å; P205-Y212 HydrophobicContact CG-CE2 3.71Å; P205-Y212 HydrophobicContact CG-CG 4.44Å; N208-Y212 PolarHBondContact O-N 3.48Å; I209-Y212 HydrophobicContact CD1-CD1 4.21Å; I209-Y212 PolarHBondContact O-N 3.29Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-L215 PolarHBondContact O-N 2.9Å; Y212-T216 WeakPolarHBondContact O-CB 3.25Å; Y212-T216 PolarHBondContact O-N 3.49Å; Y212-T216 PolarHBondContact O-OG1 3.24Å; Y212-A253 HydrophobicContact CD1-CB 4.18Å; Y212-A253 HydrophobicContact CE1-CB 4.08Å |
| 213 | N | 97.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.3 | -39.2 | 177.5 | -73.6 | -11.5 | 0 | 0 | 0 | 112.1 | I209 K210 L211 T216 S217 H256 | I209-N213 PolarHBondContact O-N 2.95Å; K210-N213 PolarHBondContact O-N 3.4Å; L211-N213 PolarHBondContact O-N 2.91Å; N213-T216 WeakPolarHBondContact O-CB 3.4Å; N213-T216 PolarHBondContact O-N 3.19Å; N213-S217 PolarHBondContact O-N 3.34Å; N213-S217 PolarHBondContact O-OG 2.81Å; N213-H256 PolarHBondContact O-NE2 2.85Å |
| 214 | K | 96.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.3 | -178.2 | 64.5 | 177.8 | 174.1 | 0 | 111.5 | K210 L211 S217 C218 E400 | K210-K214 VanDerWaalsContact O-CB 3.28Å; K210-K214 WeakPolarHBondContact O-CB 3.27Å; K210-K214 PolarHBondContact O-N 2.84Å; L211-K214 PolarHBondContact O-N 2.6Å; K214-S217 PolarHBondContact O-N 2.92Å; K214-C218 PolarHBondContact O-N 3.07Å; K214-C218 PolarHBondContact O-SG 3.22Å; K214-E400 WeakPolarHBondContact CE-OE1 3.11Å; K214-E400 IonicContact NZ-OE1 3.86Å; K214-E400 PolarHBondContact NZ-OE1 3.12Å |
| 215 | L | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.2 | -37 | 176.6 | -67.6 | 179.2 | 0 | 0 | 0 | 112.1 | M175 Y198 H199 F200 L211 Y212 S217 C218 L219 L399 | M175-L215 HydrophobicContact CE-CB 4.37Å; M175-L215 HydrophobicContact SD-CB 3.6Å; M175-L215 HydrophobicContact SD-CD1 3.95Å; M175-L215 HydrophobicContact SD-CG 4.44Å; Y198-L215 HydrophobicContact CD1-CD2 4.02Å; Y198-L215 HydrophobicContact CG-CD2 4.11Å; H199-L215 VanDerWaalsContact O-CD1 3.27Å; H199-L215 WeakPolarHBondContact O-CD1 3.19Å; F200-L215 HydrophobicContact CB-CD1 3.96Å; F200-L215 HydrophobicContact CD2-CD1 4.18Å; L211-L215 HydrophobicContact CD1-CD1 4.15Å; L211-L215 HydrophobicContact CD1-CD2 4.37Å; L211-L215 HydrophobicContact CD1-CG 3.99Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 HydrophobicContact CG-CG 4.22Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 3.44Å; Y212-L215 PolarHBondContact O-N 2.9Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.09Å; L215-C218 PolarHBondContact O-N 3.04Å; L215-L219 PolarHBondContact O-N 3.33Å; L215-L399 VanDerWaalsContact CD2-O 3.24Å; L215-L399 WeakPolarHBondContact CD2-O 3.49Å |
| 216 | T | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 172.2 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | L162 M175 Y212 N213 L219 A220 C257 F261 | L162-T216 HydrophobicContact CD1-CG2 4.25Å; M175-T216 VanDerWaalsContact CE-OG1 3.27Å; M175-T216 WeakPolarHBondContact CE-OG1 3.38Å; Y212-T216 WeakPolarHBondContact O-CB 3.25Å; Y212-T216 PolarHBondContact O-N 3.49Å; Y212-T216 PolarHBondContact O-OG1 3.24Å; N213-T216 WeakPolarHBondContact O-CB 3.4Å; N213-T216 PolarHBondContact O-N 3.19Å; T216-L219 PolarHBondContact O-N 3.38Å; T216-A220 PolarHBondContact O-N 2.89Å; T216-C257 HydrophobicContact CG2-CB 3.99Å; T216-F261 HydrophobicContact CG2-CD2 4.27Å; T216-F261 HydrophobicContact CG2-CE2 3.92Å |
| 217 | S | 98 | Very high | 96.4 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.4 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | N213 K214 L215 L219 A220 E221 H256 | N213-S217 PolarHBondContact O-N 3.34Å; N213-S217 PolarHBondContact O-OG 2.81Å; K214-S217 PolarHBondContact O-N 2.92Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.09Å; S217-L219 PolarHBondContact O-N 2.88Å; S217-A220 PolarHBondContact O-N 2.86Å; S217-E221 WeakPolarHBondContact O-CB 3.34Å; S217-E221 PolarHBondContact O-N 2.73Å; S217-H256 PolarHBondContact OG-CE1 3.09Å; S217-H256 VanDerWaalsContact OG-CE1 3.3Å; S217-H256 PolarHBondContact OG-NE2 3.26Å |
| 218 | C | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | K214 L215 E221 V222 | K214-C218 PolarHBondContact O-N 3.07Å; K214-C218 PolarHBondContact O-SG 3.22Å; L215-C218 PolarHBondContact O-N 3.04Å; C218-E221 PolarHBondContact O-N 3.11Å; C218-V222 WeakPolarHBondContact O-CG2 3.39Å; C218-V222 PolarHBondContact O-N 2.72Å |
| 219 | L | 97.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.3 | -83.5 | 166.1 | 0 | 0 | 0 | 111.7 | L162 M175 A177 L196 Y198 L215 T216 S217 V222 F223 F261 | L162-L219 HydrophobicContact CD2-CD1 3.84Å; M175-L219 HydrophobicContact CB-CD1 3.66Å; M175-L219 HydrophobicContact CE-CD1 4.4Å; A177-L219 HydrophobicContact CB-CD2 4.07Å; L196-L219 HydrophobicContact CD2-CD2 3.84Å; L196-L219 HydrophobicContact CG-CD2 4.24Å; Y198-L219 HydrophobicContact CD2-CD1 4.25Å; Y198-L219 HydrophobicContact CD2-CD2 3.62Å; Y198-L219 HydrophobicContact CD2-CG 3.59Å; Y198-L219 HydrophobicContact CE2-CD2 3.64Å; Y198-L219 HydrophobicContact CE2-CG 3.73Å; L215-L219 PolarHBondContact O-N 3.33Å; T216-L219 PolarHBondContact O-N 3.38Å; S217-L219 PolarHBondContact O-N 2.88Å; L219-V222 PolarHBondContact O-N 2.79Å; L219-F223 VanDerWaalsContact O-CB 3.23Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.34Å; L219-F261 HydrophobicContact CB-CZ 3.95Å |
| 220 | A | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | T216 S217 S224 A260 F261 | T216-A220 PolarHBondContact O-N 2.89Å; S217-A220 PolarHBondContact O-N 2.86Å; A220-S224 WeakPolarHBondContact O-CB 3.33Å; A220-S224 PolarHBondContact O-N 3.34Å; A220-S224 PolarHBondContact O-OG 2.78Å; A220-A260 HydrophobicContact CB-CB 4.17Å; A220-A260 VanDerWaalsContact CB-O 3.27Å; A220-A260 WeakPolarHBondContact CB-O 3.35Å; A220-F261 HydrophobicContact CB-CD1 3.89Å; A220-F261 HydrophobicContact CB-CD2 3.82Å; A220-F261 HydrophobicContact CB-CE1 3.87Å; A220-F261 HydrophobicContact CB-CE2 3.8Å; A220-F261 HydrophobicContact CB-CG 3.86Å; A220-F261 HydrophobicContact CB-CZ 3.82Å |
| 221 | E | 97 | Very high | 96.6 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 41% | 0.407 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -51.1 | 176.2 | -169.6 | -165.4 | 144.7 | 0 | 0 | 111.1 | S217 C218 F223 S224 Q225 R396 | S217-E221 WeakPolarHBondContact O-CB 3.34Å; S217-E221 PolarHBondContact O-N 2.73Å; C218-E221 PolarHBondContact O-N 3.11Å; E221-F223 VanDerWaalsContact C-N 3.31Å; E221-F223 PolarHBondContact O-N 3.46Å; E221-S224 PolarHBondContact O-N 3.13Å; E221-S224 VanDerWaalsContact O-N 3.13Å; E221-Q225 WeakPolarHBondContact O-CG 3.17Å; E221-Q225 PolarHBondContact O-N 3.48Å; E221-Q225 PolarHBondContact OE1-NE2 3.25Å; E221-R396 IonicContact OE1-CZ 3.34Å; E221-R396 IonicContact OE1-NH2 3.93Å; E221-R396 PolarHBondContact OE1-NH2 3.49Å; E221-R396 IonicContact OE2-NH2 3.71Å; E221-R396 PolarHBondContact OE2-NH2 2.7Å |
| 222 | V | 96.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 179.6 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | L196 C218 L219 S224 Q225 R226 | L196-V222 HydrophobicContact CD2-CB 3.88Å; L196-V222 HydrophobicContact CD2-CG1 3.5Å; L196-V222 VanDerWaalsContact CD2-CG1 3.5Å; L196-V222 HydrophobicContact CD2-CG2 4.48Å; C218-V222 WeakPolarHBondContact O-CG2 3.39Å; C218-V222 PolarHBondContact O-N 2.72Å; L219-V222 PolarHBondContact O-N 2.79Å; V222-S224 VanDerWaalsContact C-N 3.35Å; V222-Q225 PolarHBondContact O-N 2.64Å; V222-R226 WeakPolarHBondContact O-CB 3.31Å; V222-R226 PolarHBondContact O-N 2.89Å |
| 223 | F | 96.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 173.1 | 172.9 | -108.3 | 0 | 0 | 0 | 111.7 | R128 T158 L219 E221 R226 C227 C238 F261 | R128-F223 HydrophobicContact CG-CE1 4.25Å; T158-F223 HydrophobicContact CG2-CD2 4.08Å; T158-F223 HydrophobicContact CG2-CE2 4.21Å; L219-F223 VanDerWaalsContact O-CB 3.23Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.34Å; E221-F223 VanDerWaalsContact C-N 3.31Å; E221-F223 PolarHBondContact O-N 3.46Å; F223-R226 WeakPolarHBondContact O-CB 3.41Å; F223-R226 PolarHBondContact O-N 2.83Å; F223-C227 WeakPolarHBondContact CZ-SG 3.21Å; F223-C227 PolarHBondContact O-N 2.84Å; F223-C227 PolarHBondContact O-SG 3.03Å; F223-C238 HydrophobicContact CE1-CB 4.05Å; F223-C238 HydrophobicContact CE2-CB 3.88Å; F223-C238 HydrophobicContact CZ-CB 3.55Å; F223-F261 HydrophobicContact CB-CE1 4.33Å; F223-F261 HydrophobicContact CD1-CD1 4.28Å; F223-F261 HydrophobicContact CD1-CE1 4.33Å; F223-F261 HydrophobicContact CG-CE1 4.5Å |
| 224 | S | 96.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | R128 A220 E221 V222 R226 C227 E228 | R128-S224 PolarHBondContact NH2-OG 3.22Å; A220-S224 WeakPolarHBondContact O-CB 3.33Å; A220-S224 PolarHBondContact O-N 3.34Å; A220-S224 PolarHBondContact O-OG 2.78Å; E221-S224 PolarHBondContact O-N 3.13Å; E221-S224 VanDerWaalsContact O-N 3.13Å; V222-S224 VanDerWaalsContact C-N 3.35Å; S224-R226 VanDerWaalsContact C-N 3.3Å; S224-R226 PolarHBondContact O-N 3.31Å; S224-C227 WeakPolarHBondContact O-CA 3.34Å; S224-C227 WeakPolarHBondContact O-CB 3.23Å; S224-C227 PolarHBondContact O-N 3.49Å; S224-E228 PolarHBondContact O-N 3.18Å |
| 225 | Q | 95.9 | Very high | 96.5 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.4 | -42.1 | 173.2 | -71.5 | 168.9 | -1.8 | 0 | 0 | 111.9 | E221 V222 C227 E228 V229 | E221-Q225 WeakPolarHBondContact O-CG 3.17Å; E221-Q225 PolarHBondContact O-N 3.48Å; E221-Q225 PolarHBondContact OE1-NE2 3.25Å; V222-Q225 PolarHBondContact O-N 2.64Å; Q225-C227 VanDerWaalsContact C-N 3.3Å; Q225-C227 PolarHBondContact O-N 3.15Å; Q225-E228 PolarHBondContact O-N 2.97Å; Q225-V229 PolarHBondContact O-N 2.54Å |
| 226 | R | 94.9 | Very high | 96.5 | Very high | 89 Ų | 89 | 46.7 Ų | 46.7 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -38.3 | 174.3 | -179.4 | 177.3 | 178.1 | 157 | 5.2 | 112 | C179 V222 F223 S224 E228 V229 N230 | C179-R226 PolarHBondContact SG-NH2 2.8Å; V222-R226 WeakPolarHBondContact O-CB 3.31Å; V222-R226 PolarHBondContact O-N 2.89Å; F223-R226 WeakPolarHBondContact O-CB 3.41Å; F223-R226 PolarHBondContact O-N 2.83Å; S224-R226 VanDerWaalsContact C-N 3.3Å; S224-R226 PolarHBondContact O-N 3.31Å; R226-E228 VanDerWaalsContact C-N 3.33Å; R226-V229 PolarHBondContact O-N 3.43Å; R226-N230 VanDerWaalsContact O-CB 3.27Å; R226-N230 WeakPolarHBondContact O-CB 3.21Å; R226-N230 PolarHBondContact O-N 2.79Å |
| 227 | C | 95.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -33 | 178.4 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | F223 S224 Q225 V229 S234 | F223-C227 WeakPolarHBondContact CZ-SG 3.21Å; F223-C227 PolarHBondContact O-N 2.84Å; F223-C227 PolarHBondContact O-SG 3.03Å; S224-C227 WeakPolarHBondContact O-CA 3.34Å; S224-C227 WeakPolarHBondContact O-CB 3.23Å; S224-C227 PolarHBondContact O-N 3.49Å; Q225-C227 VanDerWaalsContact C-N 3.3Å; Q225-C227 PolarHBondContact O-N 3.15Å; C227-V229 VanDerWaalsContact C-N 3.33Å; C227-V229 PolarHBondContact O-N 3.38Å; C227-S234 WeakPolarHBondContact O-CB 3.24Å |
| 228 | E | 95.2 | Very high | 96.5 | Very high | 156 Ų | 156 | 44.7 Ų | 44.7 | 73% | 0.729 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.1 | -39.1 | 176.9 | -69.3 | 169 | -173.1 | 0 | 0 | 112.2 | S224 Q225 R226 | S224-E228 PolarHBondContact O-N 3.18Å; Q225-E228 PolarHBondContact O-N 2.97Å; R226-E228 VanDerWaalsContact C-N 3.33Å |
| 229 | V | 95.8 | Very high | 96.6 | Very high | 129 Ų | 129 | 44.5 Ų | 44.5 | 78% | 0.782 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -96.5 | -12.8 | -177.2 | -57.9 | 0 | 0 | 0 | 0 | 114.2 | Q225 R226 C227 | Q225-V229 PolarHBondContact O-N 2.54Å; R226-V229 PolarHBondContact O-N 3.43Å; C227-V229 VanDerWaalsContact C-N 3.33Å; C227-V229 PolarHBondContact O-N 3.38Å |
| 230 | N | 95.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | trans | -129.1 | 96.8 | -177.9 | -171.5 | -32.4 | 0 | 0 | 0 | 111.6 | R226 K232 A233 S234 | R226-N230 VanDerWaalsContact O-CB 3.27Å; R226-N230 WeakPolarHBondContact O-CB 3.21Å; R226-N230 PolarHBondContact O-N 2.79Å; N230-K232 VanDerWaalsContact C-N 3.3Å; N230-K232 PolarHBondContact O-N 2.89Å; N230-K232 PolarHBondContact OD1-N 2.95Å; N230-K232 VanDerWaalsContact OD1-N 3.15Å; N230-A233 HydrophobicContact CB-CB 4.03Å; N230-A233 PolarHBondContact O-N 3.03Å; N230-A233 VanDerWaalsContact O-N 3.16Å; N230-A233 PolarHBondContact OD1-N 2.86Å; N230-S234 PolarHBondContact O-N 2.9Å | ||
| 231 | R | 95.5 | Very high | 96.7 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 34% | 0.343 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.5 | -39.9 | -180 | -174.3 | 66.7 | -176.9 | 159.1 | 16 | 113.4 | A119 N123 E124 S234 V235 | A119-R231 PolarHBondContact O-NH2 3.39Å; N123-R231 VanDerWaalsContact C-NH1 3.29Å; N123-R231 VanDerWaalsContact CA-NH2 3.26Å; N123-R231 PolarHBondContact O-NH1 2.81Å; N123-R231 PolarHBondContact OD1-NE 3.48Å; N123-R231 PolarHBondContact OD1-NH1 3.2Å; N123-R231 VanDerWaalsContact OD1-NH1 3.13Å; E124-R231 PolarHBondContact O-NH1 2.89Å; E124-R231 PolarHBondContact O-NH2 2.95Å; R231-S234 PolarHBondContact O-N 3.04Å; R231-V235 HydrophobicContact CG-CG2 4.38Å; R231-V235 WeakPolarHBondContact O-CG2 3.49Å; R231-V235 PolarHBondContact O-N 3.42Å |
| 232 | K | 95 | Very high | 96.8 | Very high | 139 Ų | 139 | 40.3 Ų | 40.3 | 60% | 0.604 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.8 | -39.7 | -179.7 | -68.6 | -174 | 180 | -179.8 | 0 | 111.7 | N230 G236 | N230-K232 VanDerWaalsContact C-N 3.3Å; N230-K232 PolarHBondContact O-N 2.89Å; N230-K232 PolarHBondContact OD1-N 2.95Å; N230-K232 VanDerWaalsContact OD1-N 3.15Å; K232-G236 PolarHBondContact O-N 2.69Å |
| 233 | A | 94.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.2 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N230 G236 G237 | N230-A233 HydrophobicContact CB-CB 4.03Å; N230-A233 PolarHBondContact O-N 3.03Å; N230-A233 VanDerWaalsContact O-N 3.16Å; N230-A233 PolarHBondContact OD1-N 2.86Å; A233-G236 PolarHBondContact O-N 2.82Å; A233-G237 PolarHBondContact O-N 2.85Å |
| 234 | S | 97.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.6 | -54.1 | 177.3 | -173 | 0 | 0 | 0 | 0 | 112.3 | G126 C227 N230 R231 G236 G237 | G126-S234 WeakPolarHBondContact CA-O 3.08Å; G126-S234 PolarHBondContact N-O 3.34Å; C227-S234 WeakPolarHBondContact O-CB 3.24Å; N230-S234 PolarHBondContact O-N 2.9Å; R231-S234 PolarHBondContact O-N 3.04Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 2.84Å; S234-G237 PolarHBondContact O-N 3.07Å |
| 235 | V | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -31.3 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | R116 E120 G126 R231 G237 | R116-V235 HydrophobicContact CB-CG1 4.5Å; R116-V235 WeakPolarHBondContact CG-O 3.3Å; E120-V235 HydrophobicContact CB-CG1 3.91Å; E120-V235 HydrophobicContact CG-CG1 4.42Å; G126-V235 WeakPolarHBondContact CA-O 3.46Å; R231-V235 HydrophobicContact CG-CG2 4.38Å; R231-V235 WeakPolarHBondContact O-CG2 3.49Å; R231-V235 PolarHBondContact O-N 3.42Å; V235-G237 PolarHBondContact O-N 3.36Å |
| 236 | G | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | R116 K232 A233 S234 | R116-G236 PolarHBondContact NE-O 3.39Å; K232-G236 PolarHBondContact O-N 2.69Å; A233-G236 PolarHBondContact O-N 2.82Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 2.84Å |
| 237 | G | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | 70.7 | -161.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P127 P157 T158 A233 S234 V235 | P127-G237 VanDerWaalsContact O-CA 3.29Å; P127-G237 WeakPolarHBondContact O-CA 3.47Å; P157-G237 WeakPolarHBondContact CA-O 3.49Å; T158-G237 PolarHBondContact N-O 3.04Å; A233-G237 PolarHBondContact O-N 2.85Å; S234-G237 PolarHBondContact O-N 3.07Å; V235-G237 PolarHBondContact O-N 3.36Å | ||
| 238 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.9 | 176.2 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | P127 V129 T158 V160 F223 | P127-C238 PolarHBondContact O-N 2.99Å; V129-C238 PolarHBondContact N-O 3.42Å; T158-C238 CarbonylContact O-C 3.59Å; T158-C238 WeakPolarHBondContact O-CA 3.29Å; T158-C238 VanDerWaalsContact O-CB 3.26Å; T158-C238 WeakPolarHBondContact O-CB 3.27Å; V160-C238 HydrophobicContact CG2-CB 4.22Å; F223-C238 HydrophobicContact CE1-CB 4.05Å; F223-C238 HydrophobicContact CE2-CB 3.88Å; F223-C238 HydrophobicContact CZ-CB 3.55Å |
| 239 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.3 | 169.3 | -66.5 | 171 | 0 | 0 | 0 | 106.9 | V129 V131 C143 L146 L147 T158 L159 V160 | V129-I239 HydrophobicContact CB-CG1 4.32Å; V129-I239 CarbonylContact O-C 3.58Å; V129-I239 WeakPolarHBondContact O-CA 3.31Å; V131-I239 HydrophobicContact CG2-CG2 4.2Å; C143-I239 HydrophobicContact CB-CG2 3.94Å; L146-I239 HydrophobicContact CB-CD1 3.54Å; L147-I239 HydrophobicContact CD2-CB 4.1Å; L147-I239 HydrophobicContact CD2-CD1 3.76Å; L147-I239 HydrophobicContact CD2-CG1 4.23Å; L147-I239 HydrophobicContact CG-CB 4.29Å; L147-I239 HydrophobicContact CG-CD1 3.75Å; T158-I239 PolarHBondContact O-N 2.77Å; L159-I239 WeakPolarHBondContact CA-O 2.93Å; V160-I239 PolarHBondContact N-O 3.06Å |
| 240 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.7 | -173.2 | -51.6 | 162.6 | 0 | 0 | 0 | 108.3 | V129 M130 V131 V160 L162 T242 F261 V263 | V129-I240 PolarHBondContact O-N 2.85Å; M130-I240 HydrophobicContact CB-CD1 4.48Å; M130-I240 HydrophobicContact CG-CB 4.41Å; V131-I240 PolarHBondContact N-O 3.41Å; V160-I240 HydrophobicContact CB-CB 4.27Å; V160-I240 HydrophobicContact CB-CG1 3.97Å; V160-I240 HydrophobicContact CB-CG2 4.18Å; V160-I240 HydrophobicContact CG1-CG1 4.47Å; V160-I240 HydrophobicContact CG1-CG2 4.08Å; V160-I240 HydrophobicContact CG2-CG1 4.28Å; V160-I240 CarbonylContact O-C 3.55Å; V160-I240 WeakPolarHBondContact O-CA 3.36Å; L162-I240 HydrophobicContact CD1-CG2 3.47Å; L162-I240 VanDerWaalsContact CD1-CG2 3.47Å; L162-I240 HydrophobicContact CG-CG2 3.87Å; I240-T242 HydrophobicContact CG2-CG2 4.43Å; I240-F261 HydrophobicContact CD1-CB 3.66Å; I240-F261 HydrophobicContact CD1-CD1 3.87Å; I240-F261 HydrophobicContact CD1-CD2 3.98Å; I240-F261 HydrophobicContact CD1-CG 3.55Å; I240-F261 HydrophobicContact CG1-CD1 4.49Å; I240-V263 HydrophobicContact CD1-CG1 3.85Å |
| 241 | N | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.1 | 170.9 | -174.1 | 37 | 0 | 0 | 0 | 109.3 | K139 S140 L159 V160 E161 L162 | K139-N241 WeakPolarHBondContact CB-OD1 3.32Å; S140-N241 PolarHBondContact OG-ND2 3.05Å; S140-N241 VanDerWaalsContact OG-ND2 3.13Å; L159-N241 HydrophobicContact CD1-CB 4.44Å; V160-N241 PolarHBondContact O-N 3.27Å; E161-N241 WeakPolarHBondContact OE1-CB 3.46Å; E161-N241 PolarHBondContact OE1-ND2 2.97Å; E161-N241 PolarHBondContact OE2-ND2 3.4Å; L162-N241 WeakPolarHBondContact CB-O 3.34Å; L162-N241 PolarHBondContact N-O 3.34Å |
| 242 | T | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -108.9 | 161.7 | -179.5 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | M130 V131 V132 K139 I240 L254 | M130-T242 HydrophobicContact CG-CG2 3.9Å; M130-T242 HydrophobicContact SD-CG2 4.32Å; V131-T242 PolarHBondContact O-OG1 2.76Å; V131-T242 VanDerWaalsContact O-OG1 3.07Å; V132-T242 HydrophobicContact CG1-CG2 4.09Å; K139-T242 WeakPolarHBondContact CE-O 3.41Å; I240-T242 HydrophobicContact CG2-CG2 4.43Å; T242-L254 HydrophobicContact CG2-CD2 3.91Å | ||
| 243 | C | 95.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | trans | -66.9 | 166.6 | 168.7 | 75.8 | 0 | 0 | 0 | 0 | 112 | D163 P205 W245 | D163-C243 HydrophobicContact CB-CB 4.33Å; P205-C243 HydrophobicContact CG-CB 4.37Å; C243-W245 VanDerWaalsContact C-N 3.28Å; C243-W245 PolarHBondContact O-N 3.02Å | ||
| 244 | G | 96.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 17% | 0.165 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -80.5 | 9.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | V246 | G244-V246 PolarHBondContact O-N 3.22Š|
| 245 | W | 96.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 27.4 Ų | 27.4 | 33% | 0.333 | 16% | 0.155 | S | C | . | . | trans | -89.7 | 95.2 | -176.8 | -172 | 25.8 | 0 | 0 | 0 | 111.6 | P205 I209 C243 K247 G250 | P205-W245 HydrophobicContact CB-CE3 4.11Å; P205-W245 HydrophobicContact CB-CZ3 4.22Å; I209-W245 HydrophobicContact CD1-CZ3 3.96Å; C243-W245 VanDerWaalsContact C-N 3.28Å; C243-W245 PolarHBondContact O-N 3.02Å; W245-K247 PolarHBondContact NE1-O 2.68Å; W245-G250 CarbonylContact O-C 3.59Å; W245-G250 VanDerWaalsContact O-C 3.29Å; W245-G250 VanDerWaalsContact O-CA 3.25Å; W245-G250 WeakPolarHBondContact O-CA 3.35Å | ||
| 246 | V | 96.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | trans | -104.4 | 6.3 | -169.1 | -58.5 | 0 | 0 | 0 | 0 | 115.1 | G133 P134 G244 L254 L274 | G133-V246 VanDerWaalsContact C-CG1 3.46Å; G133-V246 WeakPolarHBondContact O-CG1 3.47Å; P134-V246 HydrophobicContact CB-CG2 4.5Å; G244-V246 PolarHBondContact O-N 3.22Å; V246-L254 HydrophobicContact CG1-CD1 4.38Å; V246-L274 HydrophobicContact CB-CD1 4.34Å; V246-L274 HydrophobicContact CB-CD2 3.96Å; V246-L274 HydrophobicContact CG1-CD2 3.72Å | ||
| 247 | K | 95.2 | Very high | 97.6 | Very high | 139 Ų | 139 | 30 Ų | 30 | 60% | 0.604 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -124 | 154.1 | -175.4 | -64.6 | -176.7 | -179.4 | 176.2 | 0 | 111.1 | W245 S249 G250 | W245-K247 PolarHBondContact NE1-O 2.68Å; K247-S249 PolarHBondContact O-N 3.25Å; K247-G250 PolarHBondContact O-N 3Å |
| 248 | G | 96.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 30.1 Ų | 30.1 | 58% | 0.577 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -128.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G250 Y251 Q252 | G248-G250 PolarHBondContact O-N 2.83Å; G248-Y251 WeakPolarHBondContact O-CB 3.46Å; G248-Y251 PolarHBondContact O-N 2.87Å; G248-Q252 PolarHBondContact O-N 3.13Å |
| 249 | S | 96.2 | Very high | 97.6 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 43% | 0.427 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61 | -27.1 | 177.8 | -44.3 | 0 | 0 | 0 | 0 | 113.4 | K247 Q252 A253 | K247-S249 PolarHBondContact O-N 3.25Å; S249-Q252 PolarHBondContact O-N 2.85Å; S249-A253 PolarHBondContact O-N 3.27Å |
| 250 | G | 96.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W245 K247 G248 Q252 A253 L254 | W245-G250 CarbonylContact O-C 3.59Å; W245-G250 VanDerWaalsContact O-C 3.29Å; W245-G250 VanDerWaalsContact O-CA 3.25Å; W245-G250 WeakPolarHBondContact O-CA 3.35Å; K247-G250 PolarHBondContact O-N 3Å; G248-G250 PolarHBondContact O-N 2.83Å; G250-Q252 PolarHBondContact O-N 2.83Å; G250-A253 WeakPolarHBondContact O-CB 3.22Å; G250-A253 PolarHBondContact O-N 2.86Å; G250-L254 WeakPolarHBondContact O-CG 3.18Å; G250-L254 PolarHBondContact O-N 3.34Å; G250-L254 VanDerWaalsContact O-N 3.08Å |
| 251 | Y | 98.3 | Very high | 97.6 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 173 | 177.1 | -100.9 | 0 | 0 | 0 | 111.7 | G248 A253 L254 V255 L274 E277 L278 D281 | G248-Y251 WeakPolarHBondContact O-CB 3.46Å; G248-Y251 PolarHBondContact O-N 2.87Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 2.98Å; Y251-L254 WeakPolarHBondContact O-CB 3.48Å; Y251-L254 PolarHBondContact O-N 3.13Å; Y251-V255 HydrophobicContact CD1-CG2 4.3Å; Y251-V255 HydrophobicContact CE1-CG2 3.82Å; Y251-V255 HydrophobicContact CE2-CG2 4.43Å; Y251-V255 PolarHBondContact O-N 2.98Å; Y251-L274 HydrophobicContact CD2-CD1 3.82Å; Y251-L274 HydrophobicContact CE2-CD1 4.04Å; Y251-E277 HydrophobicContact CE2-CB 3.83Å; Y251-E277 VanDerWaalsContact OH-C 3.27Å; Y251-E277 PolarHBondContact OH-O 3.45Å; Y251-L278 HydrophobicContact CE2-CD2 3.75Å; Y251-L278 HydrophobicContact CE2-CG 4.04Å; Y251-D281 WeakPolarHBondContact OH-CB 3.02Å; Y251-D281 VanDerWaalsContact OH-CG 3.25Å; Y251-D281 PolarHBondContact OH-OD2 2.94Å |
| 252 | Q | 98.2 | Very high | 97.6 | Very high | 115 Ų | 115 | 40.5 Ų | 40.5 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -36.1 | 176.9 | -61.3 | -58.7 | -34.5 | 0 | 0 | 112.1 | G248 S249 G250 V255 H256 | G248-Q252 PolarHBondContact O-N 3.13Å; S249-Q252 PolarHBondContact O-N 2.85Å; G250-Q252 PolarHBondContact O-N 2.83Å; Q252-V255 PolarHBondContact O-N 2.89Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.53Å |
| 253 | A | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -34.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I209 Y212 S249 G250 Y251 H256 C257 | I209-A253 HydrophobicContact CD1-CB 3.97Å; Y212-A253 HydrophobicContact CD1-CB 4.18Å; Y212-A253 HydrophobicContact CE1-CB 4.08Å; S249-A253 PolarHBondContact O-N 3.27Å; G250-A253 WeakPolarHBondContact O-CB 3.22Å; G250-A253 PolarHBondContact O-N 2.86Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 2.98Å; A253-H256 PolarHBondContact O-N 3.45Å; A253-C257 VanDerWaalsContact O-CB 3.3Å; A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 3.12Å |
| 254 | L | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 172.8 | -62.8 | 178.4 | 0 | 0 | 0 | 111.6 | V132 T242 V246 G250 Y251 C257 A258 L274 | V132-L254 HydrophobicContact CB-CD1 4.3Å; V132-L254 HydrophobicContact CG1-CD1 4.28Å; V132-L254 HydrophobicContact CG1-CD2 3.85Å; T242-L254 HydrophobicContact CG2-CD2 3.91Å; V246-L254 HydrophobicContact CG1-CD1 4.38Å; G250-L254 WeakPolarHBondContact O-CG 3.18Å; G250-L254 PolarHBondContact O-N 3.34Å; G250-L254 VanDerWaalsContact O-N 3.08Å; Y251-L254 WeakPolarHBondContact O-CB 3.48Å; Y251-L254 PolarHBondContact O-N 3.13Å; L254-C257 PolarHBondContact O-N 3.12Å; L254-A258 WeakPolarHBondContact O-CB 3.14Å; L254-A258 PolarHBondContact O-N 3.5Å; L254-L274 HydrophobicContact CD1-CD1 4.17Å; L254-L274 HydrophobicContact CD1-CD2 4.49Å |
| 255 | V | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 41 Ų | 41 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.9 | 177 | 0 | 0 | 0 | 0 | 110.8 | Y251 Q252 C257 A258 S259 L278 | Y251-V255 HydrophobicContact CD1-CG2 4.3Å; Y251-V255 HydrophobicContact CE1-CG2 3.82Å; Y251-V255 HydrophobicContact CE2-CG2 4.43Å; Y251-V255 PolarHBondContact O-N 2.98Å; Q252-V255 PolarHBondContact O-N 2.89Å; V255-C257 PolarHBondContact O-N 3.11Å; V255-A258 PolarHBondContact O-N 2.83Å; V255-S259 PolarHBondContact O-N 3.11Å; V255-L278 HydrophobicContact CG2-CD2 4.42Å |
| 256 | H | 98.6 | Very high | 98 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 26% | 0.264 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 173.7 | 179.3 | 78.4 | 0 | 0 | 0 | 111.7 | N213 S217 Q252 A253 S259 A260 | N213-H256 PolarHBondContact O-NE2 2.85Å; S217-H256 PolarHBondContact OG-CE1 3.09Å; S217-H256 VanDerWaalsContact OG-CE1 3.3Å; S217-H256 PolarHBondContact OG-NE2 3.26Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.53Å; A253-H256 PolarHBondContact O-N 3.45Å; H256-S259 PolarHBondContact O-N 2.96Å; H256-A260 VanDerWaalsContact O-CB 3.28Å; H256-A260 WeakPolarHBondContact O-CB 3.43Å; H256-A260 PolarHBondContact O-N 2.84Å |
| 257 | C | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 176 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | M130 L162 T216 A253 L254 V255 S259 A260 F261 | M130-C257 HydrophobicContact SD-CB 4.04Å; L162-C257 HydrophobicContact CD1-CB 4.35Å; L162-C257 WeakPolarHBondContact CD1-SG 3.5Å; T216-C257 HydrophobicContact CG2-CB 3.99Å; A253-C257 VanDerWaalsContact O-CB 3.3Å; A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 3.12Å; L254-C257 PolarHBondContact O-N 3.12Å; V255-C257 PolarHBondContact O-N 3.11Å; C257-S259 VanDerWaalsContact C-N 3.28Å; C257-S259 PolarHBondContact O-N 2.97Å; C257-A260 PolarHBondContact O-N 2.74Å; C257-F261 WeakPolarHBondContact O-CB 3.06Å; C257-F261 PolarHBondContact O-N 2.73Å |
| 258 | A | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M130 L254 V255 E262 V263 L282 | M130-A258 HydrophobicContact CE-CB 3.86Å; M130-A258 HydrophobicContact SD-CB 4.37Å; L254-A258 WeakPolarHBondContact O-CB 3.14Å; L254-A258 PolarHBondContact O-N 3.5Å; V255-A258 PolarHBondContact O-N 2.83Å; A258-E262 PolarHBondContact O-N 2.95Å; A258-E262 VanDerWaalsContact O-N 3.17Å; A258-V263 HydrophobicContact CB-CG2 3.57Å; A258-V263 PolarHBondContact O-N 3.1Å; A258-L282 HydrophobicContact CB-CD2 3.65Å |
| 259 | S | 98.6 | Very high | 98.3 | Very high | 91 Ų | 91 | 26.9 Ų | 26.9 | 64% | 0.636 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -68.8 | -49 | 176.4 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | V255 H256 C257 F261 E262 | V255-S259 PolarHBondContact O-N 3.11Å; H256-S259 PolarHBondContact O-N 2.96Å; C257-S259 VanDerWaalsContact C-N 3.28Å; C257-S259 PolarHBondContact O-N 2.97Å; S259-F261 VanDerWaalsContact C-N 3.34Å; S259-F261 PolarHBondContact O-N 2.65Å; S259-E262 PolarHBondContact O-N 2.91Å; S259-E262 VanDerWaalsContact O-N 3.12Å |
| 260 | A | 98.5 | Very high | 98.2 | Very high | 26 Ų | 26 | 27 Ų | 27 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A220 H256 C257 E262 | A220-A260 HydrophobicContact CB-CB 4.17Å; A220-A260 VanDerWaalsContact CB-O 3.27Å; A220-A260 WeakPolarHBondContact CB-O 3.35Å; H256-A260 VanDerWaalsContact O-CB 3.28Å; H256-A260 WeakPolarHBondContact O-CB 3.43Å; H256-A260 PolarHBondContact O-N 2.84Å; C257-A260 PolarHBondContact O-N 2.74Å; A260-E262 VanDerWaalsContact C-N 3.35Å |
| 261 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.1 | 176.4 | -81.7 | -86.7 | 0 | 0 | 0 | 113.6 | R128 V160 T216 L219 A220 F223 I240 C257 S259 V263 | R128-F261 WeakPolarHBondContact CD-O 3.44Å; R128-F261 PolarHBondContact NH1-O 3.35Å; V160-F261 HydrophobicContact CB-CZ 4.47Å; V160-F261 HydrophobicContact CG1-CE1 4.18Å; V160-F261 HydrophobicContact CG1-CE2 4.26Å; V160-F261 HydrophobicContact CG1-CZ 3.62Å; V160-F261 HydrophobicContact CG2-CE1 3.89Å; V160-F261 HydrophobicContact CG2-CZ 4.19Å; T216-F261 HydrophobicContact CG2-CD2 4.27Å; T216-F261 HydrophobicContact CG2-CE2 3.92Å; L219-F261 HydrophobicContact CB-CZ 3.95Å; A220-F261 HydrophobicContact CB-CD1 3.89Å; A220-F261 HydrophobicContact CB-CD2 3.82Å; A220-F261 HydrophobicContact CB-CE1 3.87Å; A220-F261 HydrophobicContact CB-CE2 3.8Å; A220-F261 HydrophobicContact CB-CG 3.86Å; A220-F261 HydrophobicContact CB-CZ 3.82Å; F223-F261 HydrophobicContact CB-CE1 4.33Å; F223-F261 HydrophobicContact CD1-CD1 4.28Å; F223-F261 HydrophobicContact CD1-CE1 4.33Å; F223-F261 HydrophobicContact CG-CE1 4.5Å; I240-F261 HydrophobicContact CD1-CB 3.66Å; I240-F261 HydrophobicContact CD1-CD1 3.87Å; I240-F261 HydrophobicContact CD1-CD2 3.98Å; I240-F261 HydrophobicContact CD1-CG 3.55Å; I240-F261 HydrophobicContact CG1-CD1 4.49Å; C257-F261 WeakPolarHBondContact O-CB 3.06Å; C257-F261 PolarHBondContact O-N 2.73Å; S259-F261 VanDerWaalsContact C-N 3.34Å; S259-F261 PolarHBondContact O-N 2.65Å; F261-V263 VanDerWaalsContact C-N 3.33Å; F261-V263 HydrophobicContact CB-CG1 3.79Å; F261-V263 PolarHBondContact O-N 3.4Å |
| 262 | E | 98.2 | Very high | 98 | Very high | 101 Ų | 101 | 35.5 Ų | 35.5 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 54.9 | -174.3 | -58 | 175.3 | -167.6 | 0 | 0 | 111.7 | R125 A258 S259 A260 | R125-E262 IonicContact CZ-OE2 3.18Å; R125-E262 IonicContact NH1-OE2 3.63Å; R125-E262 IonicContact NH2-OE2 3.22Å; A258-E262 PolarHBondContact O-N 2.95Å; A258-E262 VanDerWaalsContact O-N 3.17Å; S259-E262 PolarHBondContact O-N 2.91Å; S259-E262 VanDerWaalsContact O-N 3.12Å; A260-E262 VanDerWaalsContact C-N 3.35Å |
| 263 | V | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | trans | -68 | 138 | -171.7 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | M130 I240 A258 F261 V266 V286 | M130-V263 HydrophobicContact CB-CG1 4.11Å; I240-V263 HydrophobicContact CD1-CG1 3.85Å; A258-V263 HydrophobicContact CB-CG2 3.57Å; A258-V263 PolarHBondContact O-N 3.1Å; F261-V263 VanDerWaalsContact C-N 3.33Å; F261-V263 HydrophobicContact CB-CG1 3.79Å; F261-V263 PolarHBondContact O-N 3.4Å; V263-V266 HydrophobicContact CG2-CG2 3.88Å; V263-V286 HydrophobicContact CG2-CG1 4.1Å; V263-V286 WeakPolarHBondContact O-CG2 3.24Å | ||
| 264 | D | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -94.1 | -28.7 | 178.1 | -48.6 | -71.5 | 0 | 0 | 0 | 111.3 | M115 R125 P127 R128 R287 | M115-D264 HydrophobicContact CE-CB 3.87Å; R125-D264 IonicContact NH2-OD1 3.88Å; R125-D264 PolarHBondContact NH2-OD1 2.91Å; P127-D264 WeakPolarHBondContact CA-OD2 3.33Å; R128-D264 PolarHBondContact N-OD2 3.46Å; R128-D264 PolarHBondContact O-N 3.08Å; D264-R287 PolarHBondContact O-N 2.83Å |
| 265 | V | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134 | -175.4 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | L112 M115 R128 V129 M130 L267 R287 | L112-V265 HydrophobicContact CD2-CB 4.49Å; L112-V265 HydrophobicContact CD2-CG2 4.04Å; M115-V265 HydrophobicContact CE-CG2 4Å; M115-V265 HydrophobicContact SD-CG2 3.92Å; R128-V265 PolarHBondContact O-N 3.47Å; V129-V265 CarbonylContact C-O 3.56Å; V129-V265 WeakPolarHBondContact CA-O 3.35Å; V129-V265 HydrophobicContact CG1-CB 4.28Å; V129-V265 HydrophobicContact CG1-CG1 4.34Å; V129-V265 HydrophobicContact CG2-CB 4.33Å; M130-V265 PolarHBondContact N-O 3.06Å; V265-L267 HydrophobicContact CG1-CD2 3.74Å; V265-L267 HydrophobicContact CG1-CG 4.35Å; V265-R287 CarbonylContact C-O 3.57Å; V265-R287 WeakPolarHBondContact CA-O 3.46Å; V265-R287 HydrophobicContact CG2-CB 4.35Å |
| 266 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.5 | 171.5 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | M130 V132 V263 V268 L278 L282 V286 R287 V288 V289 | M130-V266 HydrophobicContact CB-CG2 4.36Å; M130-V266 HydrophobicContact CE-CB 4.45Å; M130-V266 HydrophobicContact CE-CG1 3.81Å; M130-V266 HydrophobicContact CE-CG2 3.76Å; M130-V266 CarbonylContact O-C 3.47Å; M130-V266 WeakPolarHBondContact O-CA 3.24Å; V132-V266 HydrophobicContact CG1-CG1 4.32Å; V132-V266 HydrophobicContact CG2-CG1 3.76Å; V263-V266 HydrophobicContact CG2-CG2 3.88Å; V266-V268 HydrophobicContact CG1-CG2 4.19Å; V266-L278 HydrophobicContact CG1-CD1 4.08Å; V266-L282 HydrophobicContact CG2-CD1 3.76Å; V266-V286 HydrophobicContact CG2-CG1 3.77Å; V266-R287 PolarHBondContact N-O 2.79Å; V266-V288 HydrophobicContact CB-CG1 4.48Å; V266-V288 HydrophobicContact CB-CG2 4.46Å; V266-V288 WeakPolarHBondContact O-CA 3.09Å; V266-V289 PolarHBondContact O-N 3.08Å |
| 267 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 110.6 | 175.8 | -54 | -177 | 0 | 0 | 0 | 108.8 | T108 V129 M130 V131 V132 L146 V265 V289 L291 | T108-L267 HydrophobicContact CG2-CD1 3.81Å; T108-L267 HydrophobicContact CG2-CD2 3.88Å; V129-L267 HydrophobicContact CG1-CD1 3.85Å; V129-L267 HydrophobicContact CG1-CG 3.87Å; M130-L267 PolarHBondContact O-N 3.45Å; V131-L267 WeakPolarHBondContact CA-O 3.43Å; V131-L267 HydrophobicContact CG2-CB 4.39Å; V131-L267 HydrophobicContact CG2-CD1 4.23Å; V132-L267 PolarHBondContact N-O 2.9Å; L146-L267 HydrophobicContact CD1-CD1 3.63Å; V265-L267 HydrophobicContact CG1-CD2 3.74Å; V265-L267 HydrophobicContact CG1-CG 4.35Å; L267-V289 HydrophobicContact CD2-CB 3.96Å; L267-V289 HydrophobicContact CD2-CG2 4.38Å; L267-L291 HydrophobicContact CB-CD1 4.22Å; L267-L291 HydrophobicContact CD1-CD1 4.25Å; L267-L291 HydrophobicContact CD2-CD1 4.25Å; L267-L291 HydrophobicContact CG-CD1 4.47Å |
| 268 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.3 | 178.2 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | V132 V266 Q271 L274 Y275 L278 V288 V289 L290 L291 | V132-V268 HydrophobicContact CG2-CB 4.18Å; V132-V268 HydrophobicContact CG2-CG1 4.31Å; V132-V268 HydrophobicContact CG2-CG2 3.72Å; V132-V268 WeakPolarHBondContact O-CA 3.48Å; V266-V268 HydrophobicContact CG1-CG2 4.19Å; V268-Q271 HydrophobicContact CG1-CB 4.35Å; V268-Q271 WeakPolarHBondContact CG1-O 3.43Å; V268-L274 HydrophobicContact CG1-CB 4.27Å; V268-L274 HydrophobicContact CG1-CD2 4.12Å; V268-L274 HydrophobicContact CG1-CG 4.2Å; V268-Y275 HydrophobicContact CG2-CD2 4.38Å; V268-L278 HydrophobicContact CG2-CD1 4.03Å; V268-V288 HydrophobicContact CG2-CG1 3.81Å; V268-V289 PolarHBondContact N-O 3.06Å; V268-L290 HydrophobicContact CB-CD1 4.28Å; V268-L290 HydrophobicContact CG1-CD1 4.19Å; V268-L291 PolarHBondContact O-N 3.21Å |
| 269 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.9 | 178.5 | -59.5 | -166.9 | 0 | 0 | 0 | 111.1 | V131 V132 V137 K139 V142 Q271 L291 | V131-L269 HydrophobicContact CG1-CD1 4.13Å; V131-L269 HydrophobicContact CG1-CG 4.21Å; V132-L269 PolarHBondContact O-N 2.56Å; V137-L269 HydrophobicContact CB-CB 4.01Å; V137-L269 HydrophobicContact CG2-CB 3.59Å; V137-L269 HydrophobicContact CG2-CD1 4.21Å; V137-L269 HydrophobicContact CG2-CG 4.48Å; V137-L269 WeakPolarHBondContact O-CD1 3.42Å; K139-L269 HydrophobicContact CB-CD1 4.34Å; K139-L269 HydrophobicContact CG-CD1 3.9Å; K139-L269 HydrophobicContact CG-CG 4.5Å; V142-L269 HydrophobicContact CB-CD1 4.29Å; V142-L269 HydrophobicContact CG2-CD1 3.86Å; V142-L269 HydrophobicContact CG2-CD2 4.43Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; L269-Q271 PolarHBondContact O-N 3.24Å; L269-L291 WeakPolarHBondContact CA-O 3.22Å; L269-L291 HydrophobicContact CD2-CB 3.67Å; L269-L291 HydrophobicContact CD2-CD1 4.05Å; L269-L291 HydrophobicContact CD2-CG 4.43Å |
| 270 | D | 92.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 50.4 Ų | 50.4 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 50.1 | 41.1 | 167.7 | -161 | 46.3 | 0 | 0 | 0 | 115 | V137 L291 K293 | V137-D270 HydrophobicContact CB-CB 4.38Å; V137-D270 HydrophobicContact CG1-CB 4.08Å; D270-L291 PolarHBondContact N-O 3.45Å; D270-K293 HydrophobicContact CB-CB 3.82Å; D270-K293 HydrophobicContact CB-CD 4.22Å; D270-K293 HydrophobicContact CB-CG 3.94Å; D270-K293 WeakPolarHBondContact OD2-CD 3.35Å; D270-K293 WeakPolarHBondContact OD2-CE 3.44Å; D270-K293 WeakPolarHBondContact OD2-CG 3.13Å; D270-K293 IonicContact OD2-NZ 3.87Å; D270-K293 PolarHBondContact OD2-NZ 2.8Å |
| 271 | Q | 94.6 | Very high | 97.7 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | trans | -151.5 | 87.1 | -179.8 | -170.1 | 64.8 | 3.5 | 0 | 0 | 113.1 | P134 V268 L269 R273 L274 Y275 | P134-Q271 HydrophobicContact CG-CB 4.49Å; V268-Q271 HydrophobicContact CG1-CB 4.35Å; V268-Q271 WeakPolarHBondContact CG1-O 3.43Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; L269-Q271 PolarHBondContact O-N 3.24Å; Q271-R273 PolarHBondContact O-N 3.4Å; Q271-L274 HydrophobicContact CB-CB 4.04Å; Q271-L274 HydrophobicContact CG-CB 3.47Å; Q271-L274 VanDerWaalsContact CG-CB 3.47Å; Q271-L274 HydrophobicContact CG-CD2 4.44Å; Q271-L274 PolarHBondContact O-N 2.84Å; Q271-Y275 PolarHBondContact O-N 2.89Å | ||
| 272 | E | 96.6 | Very high | 97.7 | Very high | 141 Ų | 141 | 53.1 Ų | 53.1 | 66% | 0.659 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.1 | -39.4 | -177.2 | -65.9 | -171.1 | 165.1 | 0 | 0 | 114.1 | L274 Y275 N276 L290 | E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 2.95Å; E272-Y275 WeakPolarHBondContact O-CB 3.18Å; E272-Y275 PolarHBondContact O-N 3.02Å; E272-N276 PolarHBondContact O-N 2.83Å; E272-N276 PolarHBondContact O-ND2 3.07Å; E272-L290 HydrophobicContact CG-CD2 3.97Å |
| 273 | R | 97.2 | Very high | 97.6 | Very high | 161 Ų | 161 | 51.6 Ų | 51.6 | 61% | 0.608 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.5 | -46.2 | 178.1 | 178.8 | 176.6 | 169.7 | 168.2 | 2 | 111.3 | Q271 Y275 N276 E277 | Q271-R273 PolarHBondContact O-N 3.4Å; R273-Y275 VanDerWaalsContact C-N 3.31Å; R273-Y275 PolarHBondContact O-N 2.77Å; R273-N276 PolarHBondContact O-N 3.27Å; R273-E277 IonicContact CZ-OE1 2.64Å; R273-E277 IonicContact NE-OE1 2.77Å; R273-E277 PolarHBondContact NE-OE1 2.67Å; R273-E277 IonicContact NH2-OE1 3.42Å; R273-E277 PolarHBondContact NH2-OE1 3.22Å; R273-E277 WeakPolarHBondContact O-CG 3.35Å; R273-E277 PolarHBondContact O-N 2.87Å |
| 274 | L | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 178 | 178.3 | 63.1 | 0 | 0 | 0 | 110.8 | V132 V246 Y251 L254 V268 Q271 E272 E277 L278 | V132-L274 HydrophobicContact CB-CD2 4.29Å; V132-L274 HydrophobicContact CG2-CD2 3.98Å; V246-L274 HydrophobicContact CB-CD1 4.34Å; V246-L274 HydrophobicContact CB-CD2 3.96Å; V246-L274 HydrophobicContact CG1-CD2 3.72Å; Y251-L274 HydrophobicContact CD2-CD1 3.82Å; Y251-L274 HydrophobicContact CE2-CD1 4.04Å; L254-L274 HydrophobicContact CD1-CD1 4.17Å; L254-L274 HydrophobicContact CD1-CD2 4.49Å; V268-L274 HydrophobicContact CG1-CB 4.27Å; V268-L274 HydrophobicContact CG1-CD2 4.12Å; V268-L274 HydrophobicContact CG1-CG 4.2Å; Q271-L274 HydrophobicContact CB-CB 4.04Å; Q271-L274 HydrophobicContact CG-CB 3.47Å; Q271-L274 VanDerWaalsContact CG-CB 3.47Å; Q271-L274 HydrophobicContact CG-CD2 4.44Å; Q271-L274 PolarHBondContact O-N 2.84Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 2.95Å; L274-E277 PolarHBondContact O-N 2.82Å; L274-L278 HydrophobicContact CD1-CD1 3.82Å; L274-L278 HydrophobicContact CD1-CG 3.99Å; L274-L278 HydrophobicContact CD2-CD1 4.47Å; L274-L278 HydrophobicContact CG-CD1 3.79Å; L274-L278 HydrophobicContact CG-CG 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.2Å; L274-L278 WeakPolarHBondContact O-CG 3.31Å; L274-L278 PolarHBondContact O-N 3.36Å |
| 275 | Y | 98.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 66 Ų | 66 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 174.2 | 167.4 | -93 | 0 | 0 | 0 | 112 | V268 Q271 E272 R273 L278 K279 V288 L290 | V268-Y275 HydrophobicContact CG2-CD2 4.38Å; Q271-Y275 PolarHBondContact O-N 2.89Å; E272-Y275 WeakPolarHBondContact O-CB 3.18Å; E272-Y275 PolarHBondContact O-N 3.02Å; R273-Y275 VanDerWaalsContact C-N 3.31Å; R273-Y275 PolarHBondContact O-N 2.77Å; Y275-L278 PolarHBondContact O-N 3.46Å; Y275-K279 HydrophobicContact CE1-CD 3.93Å; Y275-K279 WeakPolarHBondContact O-CB 3.14Å; Y275-K279 PolarHBondContact O-N 2.8Å; Y275-K279 PolarHBondContact OH-NZ 2.73Å; Y275-K279 VanDerWaalsContact OH-NZ 3.1Å; Y275-V288 HydrophobicContact CD2-CG1 3.66Å; Y275-V288 HydrophobicContact CE2-CB 4.3Å; Y275-V288 HydrophobicContact CE2-CG1 3.9Å; Y275-V288 WeakPolarHBondContact CE2-O 3.33Å; Y275-L290 HydrophobicContact CD2-CB 3.72Å; Y275-L290 HydrophobicContact CE2-CB 4.07Å; Y275-L290 HydrophobicContact CG-CB 4.13Å |
| 276 | N | 98.1 | Very high | 97.3 | Very high | 96 Ų | 96 | 66.3 Ų | 66.3 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | -179.5 | -71.5 | -47.5 | 0 | 0 | 0 | 112.4 | E272 R273 R280 | E272-N276 PolarHBondContact O-N 2.83Å; E272-N276 PolarHBondContact O-ND2 3.07Å; R273-N276 PolarHBondContact O-N 3.27Å; N276-R280 WeakPolarHBondContact O-CB 3.34Å; N276-R280 PolarHBondContact O-N 3.17Å; N276-R280 VanDerWaalsContact O-N 3.15Å |
| 277 | E | 98.1 | Very high | 97.3 | Very high | 42 Ų | 42 | 73.4 Ų | 73.4 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.8 | -51.1 | 174.9 | -73.5 | 170.5 | 172.4 | 0 | 0 | 110.9 | Y251 R273 L274 K279 R280 D281 | Y251-E277 HydrophobicContact CE2-CB 3.83Å; Y251-E277 VanDerWaalsContact OH-C 3.27Å; Y251-E277 PolarHBondContact OH-O 3.45Å; R273-E277 IonicContact CZ-OE1 2.64Å; R273-E277 IonicContact NE-OE1 2.77Å; R273-E277 PolarHBondContact NE-OE1 2.67Å; R273-E277 IonicContact NH2-OE1 3.42Å; R273-E277 PolarHBondContact NH2-OE1 3.22Å; R273-E277 WeakPolarHBondContact O-CG 3.35Å; R273-E277 PolarHBondContact O-N 2.87Å; L274-E277 PolarHBondContact O-N 2.82Å; E277-K279 PolarHBondContact O-N 3.02Å; E277-R280 PolarHBondContact O-N 3.16Å; E277-D281 WeakPolarHBondContact O-CB 3.45Å; E277-D281 PolarHBondContact O-N 3.33Å |
| 278 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 179.4 | -70.4 | 170.3 | 0 | 0 | 0 | 112.8 | V132 Y251 V255 V266 V268 L274 Y275 R280 D281 L282 V288 | V132-L278 HydrophobicContact CG2-CD1 3.73Å; Y251-L278 HydrophobicContact CE2-CD2 3.75Å; Y251-L278 HydrophobicContact CE2-CG 4.04Å; V255-L278 HydrophobicContact CG2-CD2 4.42Å; V266-L278 HydrophobicContact CG1-CD1 4.08Å; V268-L278 HydrophobicContact CG2-CD1 4.03Å; L274-L278 HydrophobicContact CD1-CD1 3.82Å; L274-L278 HydrophobicContact CD1-CG 3.99Å; L274-L278 HydrophobicContact CD2-CD1 4.47Å; L274-L278 HydrophobicContact CG-CD1 3.79Å; L274-L278 HydrophobicContact CG-CG 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.2Å; L274-L278 WeakPolarHBondContact O-CG 3.31Å; L274-L278 PolarHBondContact O-N 3.36Å; Y275-L278 PolarHBondContact O-N 3.46Å; L278-R280 PolarHBondContact O-N 2.93Å; L278-D281 PolarHBondContact O-N 3.38Å; L278-L282 HydrophobicContact CB-CD1 4.1Å; L278-L282 HydrophobicContact CB-CG 4.49Å; L278-L282 HydrophobicContact CD2-CD1 4.14Å; L278-L282 HydrophobicContact CD2-CG 4.35Å; L278-L282 WeakPolarHBondContact O-CB 3.34Å; L278-L282 VanDerWaalsContact O-CG 3.27Å; L278-L282 WeakPolarHBondContact O-CG 3.2Å; L278-L282 PolarHBondContact O-N 3.24Å; L278-V288 HydrophobicContact CB-CG1 4.38Å |
| 279 | K | 97.4 | Very high | 97.3 | Very high | 114 Ų | 114 | 77.2 Ų | 77.2 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -30.7 | 176.6 | -174.5 | 177 | -175.3 | 176.1 | 0 | 112.6 | Y275 E277 | Y275-K279 HydrophobicContact CE1-CD 3.93Å; Y275-K279 WeakPolarHBondContact O-CB 3.14Å; Y275-K279 PolarHBondContact O-N 2.8Å; Y275-K279 PolarHBondContact OH-NZ 2.73Å; Y275-K279 VanDerWaalsContact OH-NZ 3.1Å; E277-K279 PolarHBondContact O-N 3.02Å |
| 280 | R | 97.6 | Very high | 97.3 | Very high | 173 Ų | 173 | 80.4 Ų | 80.4 | 65% | 0.653 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -78.5 | -42.3 | 176.4 | -176.1 | -168.3 | 67.4 | -153.1 | -9.7 | 111.8 | N276 E277 L278 | N276-R280 WeakPolarHBondContact O-CB 3.34Å; N276-R280 PolarHBondContact O-N 3.17Å; N276-R280 VanDerWaalsContact O-N 3.15Å; E277-R280 PolarHBondContact O-N 3.16Å; L278-R280 PolarHBondContact O-N 2.93Å |
| 281 | D | 97.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 77.6 Ų | 77.6 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -94.4 | -21.2 | -167.5 | -63 | -11.7 | 0 | 0 | 0 | 113.7 | Y251 E277 L278 | Y251-D281 WeakPolarHBondContact OH-CB 3.02Å; Y251-D281 VanDerWaalsContact OH-CG 3.25Å; Y251-D281 PolarHBondContact OH-OD2 2.94Å; E277-D281 WeakPolarHBondContact O-CB 3.45Å; E277-D281 PolarHBondContact O-N 3.33Å; L278-D281 PolarHBondContact O-N 3.38Å |
| 282 | L | 98.1 | Very high | 97.6 | Very high | 14 Ų | 14 | 77.7 Ų | 77.7 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -84 | 152.9 | 175.5 | -64.8 | 177.5 | 0 | 0 | 0 | 111.9 | A258 V266 L278 V286 V288 | A258-L282 HydrophobicContact CB-CD2 3.65Å; V266-L282 HydrophobicContact CG2-CD1 3.76Å; L278-L282 HydrophobicContact CB-CD1 4.1Å; L278-L282 HydrophobicContact CB-CG 4.49Å; L278-L282 HydrophobicContact CD2-CD1 4.14Å; L278-L282 HydrophobicContact CD2-CG 4.35Å; L278-L282 WeakPolarHBondContact O-CB 3.34Å; L278-L282 VanDerWaalsContact O-CG 3.27Å; L278-L282 WeakPolarHBondContact O-CG 3.2Å; L278-L282 PolarHBondContact O-N 3.24Å; L282-V286 HydrophobicContact CB-CB 4.36Å; L282-V286 HydrophobicContact CD1-CG1 4.11Å; L282-V288 HydrophobicContact CD1-CG2 4.19Å |
| 283 | P | 97.6 | Very high | 97.5 | Very high | 69 Ų | 69 | 75.1 Ų | 75.1 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | trans | -55.9 | 144.7 | 175.5 | -24.8 | 34 | 0 | 0 | 0 | 112.8 | F285 V286 | P283-F285 HydrophobicContact CB-CD1 3.52Å; P283-F285 HydrophobicContact CB-CE1 3.24Å; P283-F285 HydrophobicContact CB-CG 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.94Å; P283-F285 HydrophobicContact CG-CE1 3.82Å; P283-F285 HydrophobicContact CG-CZ 4.16Å; P283-F285 PolarHBondContact O-N 2.74Å; P283-V286 HydrophobicContact CB-CG2 4.28Å; P283-V286 HydrophobicContact CG-CG2 4.43Å; P283-V286 WeakPolarHBondContact O-CB 3.2Å; P283-V286 PolarHBondContact O-N 3.28Å | ||
| 284 | H | 95.3 | Very high | 97.3 | Very high | 191 Ų | 191 | 68.3 Ų | 68.3 | 88% | 0.884 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.1 | -176.2 | -67.8 | -53.4 | 0 | 0 | 0 | 115.3 | V286 | H284-V286 VanDerWaalsContact C-N 3.3Š|
| 285 | F | 95.9 | Very high | 97 | Very high | 142 Ų | 142 | 70.7 Ų | 70.7 | 62% | 0.623 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -20.8 | 176.3 | 69.8 | -100.2 | 0 | 0 | 0 | 112.8 | P283 R287 | P283-F285 HydrophobicContact CB-CD1 3.52Å; P283-F285 HydrophobicContact CB-CE1 3.24Å; P283-F285 HydrophobicContact CB-CG 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.94Å; P283-F285 HydrophobicContact CG-CE1 3.82Å; P283-F285 HydrophobicContact CG-CZ 4.16Å; P283-F285 PolarHBondContact O-N 2.74Å; F285-R287 PolarHBondContact O-N 3.46Å |
| 286 | V | 98.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 70 Ų | 70 | 9% | 0.085 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -76 | 121.1 | 179.7 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | V263 V266 L282 P283 H284 V288 | V263-V286 HydrophobicContact CG2-CG1 4.1Å; V263-V286 WeakPolarHBondContact O-CG2 3.24Å; V266-V286 HydrophobicContact CG2-CG1 3.77Å; L282-V286 HydrophobicContact CB-CB 4.36Å; L282-V286 HydrophobicContact CD1-CG1 4.11Å; P283-V286 HydrophobicContact CB-CG2 4.28Å; P283-V286 HydrophobicContact CG-CG2 4.43Å; P283-V286 WeakPolarHBondContact O-CB 3.2Å; P283-V286 PolarHBondContact O-N 3.28Å; H284-V286 VanDerWaalsContact C-N 3.3Å; V286-V288 PolarHBondContact O-N 2.9Å |
| 287 | R | 98.5 | Very high | 96.2 | Very high | 149 Ų | 149 | 67.6 Ų | 67.6 | 56% | 0.562 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 105.5 | -179.8 | -61.8 | 178.9 | -175.3 | 176.4 | 1.2 | 110.1 | D264 V265 V266 F285 | D264-R287 PolarHBondContact O-N 2.83Å; V265-R287 CarbonylContact C-O 3.57Å; V265-R287 WeakPolarHBondContact CA-O 3.46Å; V265-R287 HydrophobicContact CG2-CB 4.35Å; V266-R287 PolarHBondContact N-O 2.79Å; F285-R287 PolarHBondContact O-N 3.46Å |
| 288 | V | 98.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 67.9 Ų | 67.9 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.5 | 174.4 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | V266 V268 Y275 L278 L282 V286 | V266-V288 HydrophobicContact CB-CG1 4.48Å; V266-V288 HydrophobicContact CB-CG2 4.46Å; V266-V288 WeakPolarHBondContact O-CA 3.09Å; V268-V288 HydrophobicContact CG2-CG1 3.81Å; Y275-V288 HydrophobicContact CD2-CG1 3.66Å; Y275-V288 HydrophobicContact CE2-CB 4.3Å; Y275-V288 HydrophobicContact CE2-CG1 3.9Å; Y275-V288 WeakPolarHBondContact CE2-O 3.33Å; L278-V288 HydrophobicContact CB-CG1 4.38Å; L282-V288 HydrophobicContact CD1-CG2 4.19Å; V286-V288 PolarHBondContact O-N 2.9Å |
| 289 | V | 98.5 | Very high | 95.2 | Very high | 56 Ų | 56 | 75.8 Ų | 75.8 | 34% | 0.339 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.2 | -177 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | V266 L267 V268 L291 | V266-V289 PolarHBondContact O-N 3.08Å; L267-V289 HydrophobicContact CD2-CB 3.96Å; L267-V289 HydrophobicContact CD2-CG2 4.38Å; V268-V289 PolarHBondContact N-O 3.06Å; V289-L291 HydrophobicContact CG1-CD2 4.04Å; V289-L291 HydrophobicContact CG1-CG 4.26Å |
| 290 | L | 98.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 35% | 0.351 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.7 | 171.4 | -177.6 | 66.5 | 0 | 0 | 0 | 109.2 | V268 E272 Y275 | V268-L290 HydrophobicContact CB-CD1 4.28Å; V268-L290 HydrophobicContact CG1-CD1 4.19Å; E272-L290 HydrophobicContact CG-CD2 3.97Å; Y275-L290 HydrophobicContact CD2-CB 3.72Å; Y275-L290 HydrophobicContact CE2-CB 4.07Å; Y275-L290 HydrophobicContact CG-CB 4.13Å |
| 291 | L | 98.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.4 | 174.5 | -61.9 | 174.1 | 0 | 0 | 0 | 109.7 | L104 Y105 L267 V268 L269 D270 V289 | L104-L291 HydrophobicContact CB-CD2 4.28Å; Y105-L291 HydrophobicContact CD1-CD1 4.22Å; Y105-L291 HydrophobicContact CE1-CB 4.45Å; Y105-L291 HydrophobicContact CE1-CD1 4.25Å; L267-L291 HydrophobicContact CB-CD1 4.22Å; L267-L291 HydrophobicContact CD1-CD1 4.25Å; L267-L291 HydrophobicContact CD2-CD1 4.25Å; L267-L291 HydrophobicContact CG-CD1 4.47Å; V268-L291 PolarHBondContact O-N 3.21Å; L269-L291 WeakPolarHBondContact CA-O 3.22Å; L269-L291 HydrophobicContact CD2-CB 3.67Å; L269-L291 HydrophobicContact CD2-CD1 4.05Å; L269-L291 HydrophobicContact CD2-CG 4.43Å; D270-L291 PolarHBondContact N-O 3.45Å; V289-L291 HydrophobicContact CG1-CD2 4.04Å; V289-L291 HydrophobicContact CG1-CG 4.26Å |
| 292 | P | 96.3 | Very high | 93.9 | Very high | 58 Ų | 58 | 76.3 Ų | 76.3 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 151.5 | 173.1 | 30.9 | -34.8 | 0 | 0 | 0 | 110.5 | P101 L104 Y105 | P101-P292 HydrophobicContact CB-CG 3.95Å; L104-P292 HydrophobicContact CD1-CG 3.57Å; Y105-P292 PolarHBondContact OH-O 2.95Å |
| 293 | K | 93.7 | Very high | 93.5 | Very high | 87 Ų | 87 | 80.6 Ų | 80.6 | 38% | 0.378 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -73 | 155.5 | 165.3 | 68.1 | 176.9 | 173.3 | -152.1 | 0 | 110.1 | V137 D270 | V137-K293 HydrophobicContact CB-CB 4.35Å; D270-K293 HydrophobicContact CB-CB 3.82Å; D270-K293 HydrophobicContact CB-CD 4.22Å; D270-K293 HydrophobicContact CB-CG 3.94Å; D270-K293 WeakPolarHBondContact OD2-CD 3.35Å; D270-K293 WeakPolarHBondContact OD2-CE 3.44Å; D270-K293 WeakPolarHBondContact OD2-CG 3.13Å; D270-K293 IonicContact OD2-NZ 3.87Å; D270-K293 PolarHBondContact OD2-NZ 2.8Å |
| 294 | S | 93.8 | Very high | 93 | Very high | 17 Ų | 17 | 79.3 Ų | 79.3 | 12% | 0.119 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 139.3 | 167.4 | 172.7 | 0 | 0 | 0 | 0 | 110 | R36 G296 V297 | R36-S294 PolarHBondContact NH2-OG 3.41Å; S294-G296 PolarHBondContact O-N 2.85Å; S294-G296 VanDerWaalsContact O-N 3.13Å; S294-G296 PolarHBondContact OG-N 3.23Å; S294-G296 VanDerWaalsContact OG-N 3.11Å; S294-V297 WeakPolarHBondContact O-CB 3.24Å; S294-V297 WeakPolarHBondContact O-CG2 3.49Å; S294-V297 PolarHBondContact O-N 2.74Å |
| 295 | G | 90.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 55% | 0.546 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R36 V297 | R36-G295 VanDerWaalsContact NH1-C 3.31Å; G295-V297 VanDerWaalsContact C-N 3.33Å |
| 296 | G | 88.7 | Confident | 92.7 | Very high | 29 Ų | 29 | 72.7 Ų | 72.7 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R36 S294 | R36-G296 VanDerWaalsContact CZ-N 3.26Å; S294-G296 PolarHBondContact O-N 2.85Å; S294-G296 VanDerWaalsContact O-N 3.13Å; S294-G296 PolarHBondContact OG-N 3.23Å; S294-G296 VanDerWaalsContact OG-N 3.11Å |
| 297 | V | 90.6 | Very high | 92.4 | Very high | 45 Ų | 45 | 77.7 Ų | 77.7 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | trans | -77.6 | 128.4 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | D136 S294 G295 | D136-V297 VanDerWaalsContact C-CG1 3.48Å; D136-V297 WeakPolarHBondContact O-CG1 3.48Å; S294-V297 WeakPolarHBondContact O-CB 3.24Å; S294-V297 WeakPolarHBondContact O-CG2 3.49Å; S294-V297 PolarHBondContact O-N 2.74Å; G295-V297 VanDerWaalsContact C-N 3.33Å | ||
| 298 | V | 88.1 | Confident | 92 | Very high | 49 Ų | 49 | 72.3 Ų | 72.3 | 30% | 0.297 | 38% | 0.384 | S | S | . | . | trans | -110.2 | 138.3 | -177.3 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | E38 K74 | E38-V298 WeakPolarHBondContact OE1-CG2 3.48Å; K74-V298 HydrophobicContact CD-CB 3.84Å; K74-V298 HydrophobicContact CD-CG1 4.4Å; K74-V298 HydrophobicContact CD-CG2 3.95Å | ||
| 299 | E | 87.2 | Confident | 91.8 | Very high | 166 Ų | 166 | 73.7 Ų | 73.7 | 78% | 0.776 | 39% | 0.387 | S | S | * | . | trans | -66 | 138.2 | 173.3 | -66.3 | -171.1 | 171.2 | 0 | 0 | 111.1 | D136 | D136-E299 HydrophobicContact CB-CG 4.48Š| ||
| 300 | R | 87.6 | Confident | 91.6 | Very high | 110 Ų | 110 | 73.1 Ų | 73.1 | 42% | 0.415 | 38% | 0.382 | S | S | . | . | trans | -109.4 | 124.8 | -178 | -63 | -177 | -176.2 | -177.9 | -0.4 | 110.9 | D136 R305 | D136-R300 PolarHBondContact OD2-N 3.49Å; R300-R305 HydrophobicContact CB-CG 4.17Å; R300-R305 PolarHBondContact O-NE 2.94Å | ||
| 301 | S | 89.1 | Confident | 91.2 | Very high | 71 Ų | 71 | 74.2 Ų | 74.2 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -60.8 | 161.2 | 170.9 | 73.6 | 0 | 0 | 0 | 0 | 111.5 | D303 C304 R305 | S301-D303 PolarHBondContact O-N 3.2Å; S301-C304 PolarHBondContact O-N 2.83Å; S301-C304 WeakPolarHBondContact OG-CB 3.46Å; S301-C304 PolarHBondContact OG-N 3.08Å; S301-C304 VanDerWaalsContact OG-N 3.12Å; S301-R305 WeakPolarHBondContact O-CG 3.42Å; S301-R305 PolarHBondContact O-N 3.13Å | ||
| 302 | K | 89.5 | Confident | 91 | Very high | 185 Ų | 185 | 75.6 Ų | 75.6 | 80% | 0.804 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.1 | -35.1 | 175.6 | -69 | -178.9 | -179.8 | 176.1 | 0 | 111.9 | R305 R306 | K302-R305 PolarHBondContact O-N 3.46Å; K302-R306 PolarHBondContact O-N 3.12Å |
| 303 | D | 89.8 | Confident | 91 | Very high | 104 Ų | 104 | 72.9 Ų | 72.9 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.3 | -46 | 179.8 | -60.8 | -37.8 | 0 | 0 | 0 | 111.3 | S301 R305 R306 E307 | S301-D303 PolarHBondContact O-N 3.2Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 2.73Å; D303-R306 CarbonylContact O-C 3.46Å; D303-R306 WeakPolarHBondContact O-CA 3.2Å; D303-R306 WeakPolarHBondContact O-CB 3.28Å; D303-R306 PolarHBondContact O-N 3.43Å; D303-E307 WeakPolarHBondContact O-CG 3.5Å; D303-E307 PolarHBondContact O-N 3.35Å |
| 304 | C | 87.9 | Confident | 91 | Very high | 42 Ų | 42 | 73.2 Ų | 73.2 | 28% | 0.284 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.9 | -40.9 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | S301 R306 A308 | S301-C304 PolarHBondContact O-N 2.83Å; S301-C304 WeakPolarHBondContact OG-CB 3.46Å; S301-C304 PolarHBondContact OG-N 3.08Å; S301-C304 VanDerWaalsContact OG-N 3.12Å; C304-R306 VanDerWaalsContact C-N 3.32Å; C304-R306 PolarHBondContact O-N 3.36Å; C304-A308 WeakPolarHBondContact O-CB 3.16Å; C304-A308 PolarHBondContact O-N 3.42Å |
| 305 | R | 91.9 | Very high | 90.9 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 18% | 0.177 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.5 | -33.9 | 175.1 | -67 | 174.6 | -173.9 | -77.2 | -1.7 | 112.6 | D136 Q166 R300 S301 K302 D303 R309 | D136-R305 IonicContact OD1-CZ 3.8Å; D136-R305 IonicContact OD1-NH1 3.8Å; D136-R305 IonicContact OD1-NH2 3.73Å; D136-R305 PolarHBondContact OD1-NH2 2.92Å; D136-R305 IonicContact OD2-CZ 2.79Å; D136-R305 IonicContact OD2-NH2 3.48Å; D136-R305 PolarHBondContact OD2-NH2 2.9Å; Q166-R305 PolarHBondContact NE2-O 3.06Å; R300-R305 HydrophobicContact CB-CG 4.17Å; R300-R305 PolarHBondContact O-NE 2.94Å; S301-R305 WeakPolarHBondContact O-CG 3.42Å; S301-R305 PolarHBondContact O-N 3.13Å; K302-R305 PolarHBondContact O-N 3.46Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 2.73Å; R305-R309 WeakPolarHBondContact O-CG 3.29Å; R305-R309 PolarHBondContact O-N 3.02Å; R305-R309 PolarHBondContact O-NH1 2.83Å; R305-R309 VanDerWaalsContact O-NH1 3.13Å |
| 306 | R | 92.4 | Very high | 91.1 | Very high | 147 Ų | 147 | 75.6 Ų | 75.6 | 56% | 0.555 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -69.7 | -47.5 | 177.3 | -177.3 | -175.4 | 175.3 | -168 | -1.2 | 110.5 | K302 D303 C304 A308 R309 D310 | K302-R306 PolarHBondContact O-N 3.12Å; D303-R306 CarbonylContact O-C 3.46Å; D303-R306 WeakPolarHBondContact O-CA 3.2Å; D303-R306 WeakPolarHBondContact O-CB 3.28Å; D303-R306 PolarHBondContact O-N 3.43Å; C304-R306 VanDerWaalsContact C-N 3.32Å; C304-R306 PolarHBondContact O-N 3.36Å; R306-A308 VanDerWaalsContact C-N 3.33Å; R306-A308 PolarHBondContact O-N 3.35Å; R306-R309 WeakPolarHBondContact O-CB 3.49Å; R306-R309 PolarHBondContact O-N 2.07Å; R306-D310 PolarHBondContact O-N 2.73Å |
| 307 | E | 90.9 | Very high | 91.4 | Very high | 119 Ų | 119 | 74.3 Ų | 74.3 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.7 | -46.2 | 175.4 | -69.6 | 170.8 | 176.9 | 0 | 0 | 111.2 | D303 R309 D310 D311 | D303-E307 WeakPolarHBondContact O-CG 3.5Å; D303-E307 PolarHBondContact O-N 3.35Å; E307-R309 VanDerWaalsContact C-N 3.25Å; E307-R309 PolarHBondContact O-N 3.13Å; E307-D310 PolarHBondContact O-N 2.94Å; E307-D310 VanDerWaalsContact O-N 3.1Å; E307-D311 WeakPolarHBondContact O-CB 3.11Å; E307-D311 PolarHBondContact O-N 3.04Å |
| 308 | A | 90.6 | Very high | 91.6 | Very high | 36 Ų | 36 | 75.5 Ų | 75.5 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.5 | -32.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | C304 R306 K312 | C304-A308 WeakPolarHBondContact O-CB 3.16Å; C304-A308 PolarHBondContact O-N 3.42Å; R306-A308 VanDerWaalsContact C-N 3.33Å; R306-A308 PolarHBondContact O-N 3.35Å; A308-K312 WeakPolarHBondContact O-CB 3.44Å; A308-K312 PolarHBondContact O-N 2.72Å |
| 309 | R | 94.6 | Very high | 91.6 | Very high | 53 Ų | 53 | 73.7 Ų | 73.7 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.6 | -46 | 173.6 | -77.6 | -168.5 | -59.2 | -83.7 | 4 | 111.3 | G165 P172 T203 R305 R306 E307 D311 K312 I313 | G165-R309 WeakPolarHBondContact O-CD 3.12Å; G165-R309 WeakPolarHBondContact O-CG 3.41Å; P172-R309 HydrophobicContact CB-CB 4.32Å; P172-R309 HydrophobicContact CB-CG 3.83Å; P172-R309 HydrophobicContact CG-CB 3.59Å; P172-R309 HydrophobicContact CG-CG 3.49Å; P172-R309 VanDerWaalsContact CG-CG 3.49Å; T203-R309 VanDerWaalsContact CG2-CD 3.49Å; R305-R309 WeakPolarHBondContact O-CG 3.29Å; R305-R309 PolarHBondContact O-N 3.02Å; R305-R309 PolarHBondContact O-NH1 2.83Å; R305-R309 VanDerWaalsContact O-NH1 3.13Å; R306-R309 WeakPolarHBondContact O-CB 3.49Å; R306-R309 PolarHBondContact O-N 2.07Å; E307-R309 VanDerWaalsContact C-N 3.25Å; E307-R309 PolarHBondContact O-N 3.13Å; R309-D311 VanDerWaalsContact C-N 3.33Å; R309-K312 PolarHBondContact O-N 2.84Å; R309-I313 WeakPolarHBondContact O-CG1 3.37Å; R309-I313 PolarHBondContact O-N 3.33Å; R309-I313 VanDerWaalsContact O-N 3.07Å |
| 310 | D | 93.7 | Very high | 91.3 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 179.8 | -65.9 | -8.9 | 0 | 0 | 0 | 110.5 | R306 E307 K312 I313 R314 | R306-D310 PolarHBondContact O-N 2.73Å; E307-D310 PolarHBondContact O-N 2.94Å; E307-D310 VanDerWaalsContact O-N 3.1Å; D310-K312 VanDerWaalsContact C-N 3.34Å; D310-K312 PolarHBondContact O-N 2.86Å; D310-I313 PolarHBondContact O-N 2.82Å; D310-R314 WeakPolarHBondContact O-CB 3.09Å; D310-R314 PolarHBondContact O-N 2.81Å |
| 311 | D | 91.4 | Very high | 90.5 | Very high | 89 Ų | 89 | 68.1 Ų | 68.1 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 173.7 | -74 | -10.9 | 0 | 0 | 0 | 111.8 | E307 R309 I313 R314 E315 | E307-D311 WeakPolarHBondContact O-CB 3.11Å; E307-D311 PolarHBondContact O-N 3.04Å; R309-D311 VanDerWaalsContact C-N 3.33Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 2.76Å; D311-R314 PolarHBondContact O-N 2.81Å; D311-R314 IonicContact OD1-CZ 2.83Å; D311-R314 IonicContact OD1-NH1 3.14Å; D311-R314 PolarHBondContact OD1-NH1 3.45Å; D311-E315 WeakPolarHBondContact O-CB 3.25Å; D311-E315 PolarHBondContact O-N 2.78Å |
| 312 | K | 93.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 68.8 Ų | 68.8 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.2 | -35 | 178.7 | -165.7 | 53.5 | 169.1 | 177.5 | 0 | 112.8 | S170 A308 R309 D310 E315 Y316 | S170-K312 WeakPolarHBondContact O-CG 3.25Å; A308-K312 WeakPolarHBondContact O-CB 3.44Å; A308-K312 PolarHBondContact O-N 2.72Å; R309-K312 PolarHBondContact O-N 2.84Å; D310-K312 VanDerWaalsContact C-N 3.34Å; D310-K312 PolarHBondContact O-N 2.86Å; K312-E315 WeakPolarHBondContact CD-OE2 3.36Å; K312-E315 IonicContact NZ-OE1 2.8Å; K312-E315 PolarHBondContact NZ-OE1 3.24Å; K312-E315 IonicContact NZ-OE2 3.87Å; K312-E315 PolarHBondContact NZ-OE2 2.85Å; K312-Y316 PolarHBondContact O-N 2.99Å |
| 313 | I | 95.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 172.4 | -62 | 166.1 | 0 | 0 | 0 | 109.8 | V171 P172 R309 D310 D311 E315 Y316 F317 V378 I439 F441 | V171-I313 HydrophobicContact CB-CG1 4.27Å; V171-I313 HydrophobicContact CG1-CG1 4.37Å; P172-I313 HydrophobicContact CG-CG1 4.45Å; R309-I313 WeakPolarHBondContact O-CG1 3.37Å; R309-I313 PolarHBondContact O-N 3.33Å; R309-I313 VanDerWaalsContact O-N 3.07Å; D310-I313 PolarHBondContact O-N 2.82Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 2.76Å; I313-E315 VanDerWaalsContact C-N 3.34Å; I313-E315 PolarHBondContact O-N 2.8Å; I313-Y316 WeakPolarHBondContact O-CB 3.34Å; I313-Y316 PolarHBondContact O-N 3.43Å; I313-F317 HydrophobicContact CG2-CD2 4.09Å; I313-F317 HydrophobicContact CG2-CE2 3.87Å; I313-F317 VanDerWaalsContact O-CD2 3.29Å; I313-F317 WeakPolarHBondContact O-CD2 3.42Å; I313-F317 PolarHBondContact O-N 3.21Å; I313-V378 HydrophobicContact CD1-CG2 4.22Å; I313-I439 HydrophobicContact CD1-CG2 3.72Å; I313-F441 HydrophobicContact CB-CD2 3.85Å; I313-F441 HydrophobicContact CB-CE2 4.2Å; I313-F441 HydrophobicContact CB-CG 4.32Å; I313-F441 HydrophobicContact CD1-CB 4.29Å; I313-F441 HydrophobicContact CD1-CD2 4.39Å; I313-F441 HydrophobicContact CG2-CB 3.89Å; I313-F441 HydrophobicContact CG2-CD1 4.01Å; I313-F441 HydrophobicContact CG2-CD2 3.57Å; I313-F441 HydrophobicContact CG2-CE1 4.44Å; I313-F441 HydrophobicContact CG2-CE2 4.05Å; I313-F441 HydrophobicContact CG2-CG 3.54Å; I313-F441 HydrophobicContact CG2-CZ 4.46Å |
| 314 | R | 94.1 | Very high | 88.7 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.4 | -167.7 | 179.4 | -61.2 | 100.3 | 1.8 | 111.6 | D310 D311 Y316 F317 Y318 F441 | D310-R314 WeakPolarHBondContact O-CB 3.09Å; D310-R314 PolarHBondContact O-N 2.81Å; D311-R314 PolarHBondContact O-N 2.81Å; D311-R314 IonicContact OD1-CZ 2.83Å; D311-R314 IonicContact OD1-NH1 3.14Å; D311-R314 PolarHBondContact OD1-NH1 3.45Å; R314-Y316 VanDerWaalsContact C-N 3.26Å; R314-Y316 PolarHBondContact O-N 2.67Å; R314-F317 PolarHBondContact O-N 3.18Å; R314-Y318 HydrophobicContact CG-CD2 3.68Å; R314-Y318 HydrophobicContact CG-CE2 4.4Å; R314-Y318 WeakPolarHBondContact O-CB 3.14Å; R314-Y318 WeakPolarHBondContact O-CD2 3.38Å; R314-Y318 PolarHBondContact O-N 3.31Å; R314-F441 HydrophobicContact CB-CE2 4.2Å; R314-F441 HydrophobicContact CB-CZ 4.15Å; R314-F441 HydrophobicContact CG-CZ 4.48Å |
| 315 | E | 92.3 | Very high | 88.9 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58 | -38.9 | 177 | -166.4 | -162.3 | 127 | 0 | 0 | 111.9 | D311 K312 I313 F317 G319 F320 | D311-E315 WeakPolarHBondContact O-CB 3.25Å; D311-E315 PolarHBondContact O-N 2.78Å; K312-E315 WeakPolarHBondContact CD-OE2 3.36Å; K312-E315 IonicContact NZ-OE1 2.8Å; K312-E315 PolarHBondContact NZ-OE1 3.24Å; K312-E315 IonicContact NZ-OE2 3.87Å; K312-E315 PolarHBondContact NZ-OE2 2.85Å; I313-E315 VanDerWaalsContact C-N 3.34Å; I313-E315 PolarHBondContact O-N 2.8Å; E315-F317 PolarHBondContact O-N 3.06Å; E315-G319 WeakPolarHBondContact CA-O 3.45Å; E315-G319 CarbonylContact O-C 3.32Å; E315-G319 WeakPolarHBondContact O-CA 3.38Å; E315-G319 PolarHBondContact O-N 3.2Å; E315-F320 HydrophobicContact CG-CB 3.87Å |
| 316 | Y | 94.7 | Very high | 89 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 177.2 | 176.6 | -96.6 | 0 | 0 | 0 | 112.9 | V171 K312 I313 R314 G405 F406 P424 | V171-Y316 HydrophobicContact CG1-CD1 4.28Å; V171-Y316 HydrophobicContact CG1-CD2 4.23Å; V171-Y316 HydrophobicContact CG1-CG 3.84Å; K312-Y316 PolarHBondContact O-N 2.99Å; I313-Y316 WeakPolarHBondContact O-CB 3.34Å; I313-Y316 PolarHBondContact O-N 3.43Å; R314-Y316 VanDerWaalsContact C-N 3.26Å; R314-Y316 PolarHBondContact O-N 2.67Å; Y316-G405 VanDerWaalsContact OH-CA 3.22Å; Y316-G405 WeakPolarHBondContact OH-CA 3.26Å; Y316-F406 HydrophobicContact CD1-CB 4.47Å; Y316-F406 HydrophobicContact CE1-CB 3.84Å; Y316-F406 HydrophobicContact CE1-CD2 4.26Å; Y316-F406 WeakPolarHBondContact CE1-O 3.4Å; Y316-F406 AromaticContact CE2-CD2 4Å; Y316-F406 HydrophobicContact CE2-CD2 4Å; Y316-F406 AromaticContact CZ-CD2 3.82Å; Y316-F406 PolarHBondContact OH-N 3.03Å; Y316-P424 HydrophobicContact CE1-CB 4.36Å; Y316-P424 HydrophobicContact CE1-CG 4Å |
| 317 | F | 95.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -87.7 | -38.6 | -177.6 | -72 | -75.3 | 0 | 0 | 0 | 113.8 | I313 R314 E315 F325 P327 V408 L422 | I313-F317 HydrophobicContact CG2-CD2 4.09Å; I313-F317 HydrophobicContact CG2-CE2 3.87Å; I313-F317 VanDerWaalsContact O-CD2 3.29Å; I313-F317 WeakPolarHBondContact O-CD2 3.42Å; I313-F317 PolarHBondContact O-N 3.21Å; R314-F317 PolarHBondContact O-N 3.18Å; E315-F317 PolarHBondContact O-N 3.06Å; F317-F325 WeakPolarHBondContact O-CB 3.32Å; F317-P327 HydrophobicContact CB-CB 4.23Å; F317-P327 HydrophobicContact CB-CG 4.25Å; F317-P327 HydrophobicContact CD1-CB 4.22Å; F317-P327 WeakPolarHBondContact O-CD 3.21Å; F317-V408 HydrophobicContact CE2-CG2 3.59Å; F317-V408 HydrophobicContact CZ-CB 4.45Å; F317-V408 HydrophobicContact CZ-CG2 3.7Å; F317-L422 HydrophobicContact CB-CD2 4.27Å; F317-L422 HydrophobicContact CD1-CD2 3.96Å; F317-L422 HydrophobicContact CD1-CG 3.95Å; F317-L422 HydrophobicContact CD2-CD2 4.2Å; F317-L422 HydrophobicContact CE1-CD2 4.36Å; F317-L422 HydrophobicContact CE1-CG 4.2Å; F317-L422 WeakPolarHBondContact CE1-O 3.35Å; F317-L422 HydrophobicContact CG-CD2 3.89Å; F317-L422 HydrophobicContact CG-CG 4.38Å |
| 318 | Y | 93.8 | Very high | 89.4 | Confident | 70 Ų | 70 | 63 Ų | 63 | 28% | 0.275 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -108 | -2.9 | -169.5 | -63.5 | -73.3 | 0 | 0 | 0 | 113.5 | R314 F325 P327 L422 D443 | R314-Y318 HydrophobicContact CG-CD2 3.68Å; R314-Y318 HydrophobicContact CG-CE2 4.4Å; R314-Y318 WeakPolarHBondContact O-CB 3.14Å; R314-Y318 WeakPolarHBondContact O-CD2 3.38Å; R314-Y318 PolarHBondContact O-N 3.31Å; Y318-F325 PolarHBondContact O-N 3.06Å; Y318-P327 HydrophobicContact CD1-CG 3.65Å; Y318-P327 HydrophobicContact CE1-CG 3.24Å; Y318-P327 HydrophobicContact CG-CG 4.44Å; Y318-L422 HydrophobicContact CE2-CD2 4.37Å; Y318-D443 WeakPolarHBondContact CE2-OD1 3.27Å; Y318-D443 PolarHBondContact OH-OD1 2.83Å; Y318-D443 PolarHBondContact OH-OD2 3.5Å |
| 319 | G | 89.3 | Confident | 89.7 | Confident | 12 Ų | 12 | 65 Ų | 65 | 12% | 0.124 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.5 | -173 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E315 V323 F325 | E315-G319 WeakPolarHBondContact CA-O 3.45Å; E315-G319 CarbonylContact O-C 3.32Å; E315-G319 WeakPolarHBondContact O-CA 3.38Å; E315-G319 PolarHBondContact O-N 3.2Å; G319-V323 WeakPolarHBondContact CA-O 3.09Å; G319-F325 VanDerWaalsContact N-CD2 3.28Å |
| 320 | F | 80.4 | Confident | 89.8 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 175 | 179.1 | 62.5 | -93.5 | 0 | 0 | 0 | 109.6 | E188 E315 G322 V323 | E188-F320 HydrophobicContact CB-CD2 3.91Å; E188-F320 HydrophobicContact CB-CE1 4.43Å; E188-F320 HydrophobicContact CB-CE2 3.79Å; E188-F320 HydrophobicContact CB-CG 4.37Å; E188-F320 HydrophobicContact CB-CZ 4.02Å; E188-F320 HydrophobicContact CG-CD2 3.57Å; E188-F320 HydrophobicContact CG-CE2 3.16Å; E188-F320 HydrophobicContact CG-CG 4.48Å; E188-F320 HydrophobicContact CG-CZ 3.71Å; E188-F320 WeakPolarHBondContact OE1-CE2 3.47Å; E188-F320 WeakPolarHBondContact OE1-CZ 3.47Å; E188-F320 WeakPolarHBondContact OE2-CZ 3.26Å; E315-F320 HydrophobicContact CG-CB 3.87Å; F320-G322 PolarHBondContact O-N 2.76Å; F320-V323 HydrophobicContact CE1-CB 4.16Å; F320-V323 HydrophobicContact CE1-CG2 4.39Å; F320-V323 HydrophobicContact CE2-CB 3.95Å; F320-V323 HydrophobicContact CE2-CG2 3.71Å; F320-V323 HydrophobicContact CZ-CB 3.73Å; F320-V323 HydrophobicContact CZ-CG2 3.52Å; F320-V323 PolarHBondContact N-O 3.13Å; F320-V323 CarbonylContact O-C 3.59Å; F320-V323 PolarHBondContact O-N 2.72Å |
| 321 | R | 70 | Confident | 90 | Very high | 104 Ų | 104 | 66.5 Ų | 66.5 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 123.7 | -175.4 | -67.4 | -178.6 | 172.9 | -171.5 | -2.3 | 111.8 | K44 P70 | K44-R321 VanDerWaalsContact CE-NH2 3.32Å; P70-R321 VanDerWaalsContact CB-NH2 3.28Å |
| 322 | G | 65.4 | Low | 90.3 | Very high | 85 Ų | 85 | 62.7 Ų | 62.7 | 88% | 0.876 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -15.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F320 | F320-G322 PolarHBondContact O-N 2.76Š|
| 323 | V | 77.1 | Confident | 90.5 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 35% | 0.352 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 95.8 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 109 | G319 F320 F325 | G319-V323 WeakPolarHBondContact CA-O 3.09Å; F320-V323 HydrophobicContact CE1-CB 4.16Å; F320-V323 HydrophobicContact CE1-CG2 4.39Å; F320-V323 HydrophobicContact CE2-CB 3.95Å; F320-V323 HydrophobicContact CE2-CG2 3.71Å; F320-V323 HydrophobicContact CZ-CB 3.73Å; F320-V323 HydrophobicContact CZ-CG2 3.52Å; F320-V323 PolarHBondContact N-O 3.13Å; F320-V323 CarbonylContact O-C 3.59Å; F320-V323 PolarHBondContact O-N 2.72Å; V323-F325 HydrophobicContact CG1-CD1 4.22Å; V323-F325 HydrophobicContact CG1-CE1 3.56Å; V323-F325 HydrophobicContact CG1-CZ 4.22Å |
| 324 | S | 88.4 | Confident | 90.6 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.2 | 176.3 | -63.1 | 0 | 0 | 0 | 0 | 111 | ||
| 325 | F | 92.3 | Very high | 90.7 | Very high | 99 Ų | 99 | 68.8 Ų | 68.8 | 43% | 0.434 | 37% | 0.366 | S | S | . | . | trans | -95.8 | 150.2 | 162.1 | -55.7 | -30 | 0 | 0 | 0 | 109.6 | F317 Y318 G319 V323 P327 | F317-F325 WeakPolarHBondContact O-CB 3.32Å; Y318-F325 PolarHBondContact O-N 3.06Å; G319-F325 VanDerWaalsContact N-CD2 3.28Å; V323-F325 HydrophobicContact CG1-CD1 4.22Å; V323-F325 HydrophobicContact CG1-CE1 3.56Å; V323-F325 HydrophobicContact CG1-CZ 4.22Å; F325-P327 WeakPolarHBondContact O-CD 3.4Å | ||
| 326 | Y | 93.5 | Very high | 90.8 | Very high | 185 Ų | 185 | 68.4 Ų | 68.4 | 73% | 0.725 | 37% | 0.366 | S | S | * | . | trans | -118.7 | 88.2 | -176.7 | -60.2 | -81.9 | 0 | 0 | 0 | 108.4 | ||||
| 327 | P | 95.6 | Very high | 90.8 | Very high | 28 Ų | 28 | 66 Ų | 66 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -69.7 | 158.1 | -178.9 | 31.4 | -34.4 | 0 | 0 | 0 | 110.5 | F317 Y318 F325 L422 S423 | F317-P327 HydrophobicContact CB-CB 4.23Å; F317-P327 HydrophobicContact CB-CG 4.25Å; F317-P327 HydrophobicContact CD1-CB 4.22Å; F317-P327 WeakPolarHBondContact O-CD 3.21Å; Y318-P327 HydrophobicContact CD1-CG 3.65Å; Y318-P327 HydrophobicContact CE1-CG 3.24Å; Y318-P327 HydrophobicContact CG-CG 4.44Å; F325-P327 WeakPolarHBondContact O-CD 3.4Å; P327-L422 HydrophobicContact CB-CD1 3.72Å; P327-L422 HydrophobicContact CB-CG 4.16Å; P327-L422 HydrophobicContact CG-CD1 3.84Å; P327-S423 CarbonylContact C-O 3.39Å; P327-S423 WeakPolarHBondContact CA-O 3.27Å; P327-S423 WeakPolarHBondContact CB-O 3.38Å | ||
| 328 | H | 96.4 | Very high | 90.8 | Very high | 74 Ų | 74 | 71.4 Ų | 71.4 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138 | -176.6 | -61.6 | -86 | 0 | 0 | 0 | 110.7 | F330 L422 S423 A425 P426 | H328-F330 HydrophobicContact CB-CD1 4.08Å; H328-F330 HydrophobicContact CB-CE1 4.18Å; H328-L422 CarbonylContact O-C 3.59Å; H328-L422 WeakPolarHBondContact O-CA 3.45Å; H328-S423 PolarHBondContact N-O 3.31Å; H328-S423 PolarHBondContact O-N 3.09Å; H328-A425 VanDerWaalsContact CD2-C 3.41Å; H328-P426 VanDerWaalsContact CD2-N 3.26Å |
| 329 | A | 96.4 | Very high | 90.9 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V421 | A329-V421 VanDerWaalsContact CA-O 3.31Å; A329-V421 WeakPolarHBondContact CA-O 3.47Å |
| 330 | F | 97.4 | Very high | 91.2 | Very high | 28 Ų | 28 | 69 Ų | 69 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 161.3 | 176.4 | 56.9 | -93.7 | 0 | 0 | 0 | 111.9 | H328 V332 V421 R427 L429 | H328-F330 HydrophobicContact CB-CD1 4.08Å; H328-F330 HydrophobicContact CB-CE1 4.18Å; F330-V332 HydrophobicContact CD2-CG2 3.91Å; F330-V332 HydrophobicContact CE2-CG2 3.67Å; F330-V421 HydrophobicContact CD2-CG2 4.17Å; F330-V421 HydrophobicContact CE2-CG2 3.87Å; F330-V421 HydrophobicContact CZ-CG2 4.09Å; F330-V421 PolarHBondContact N-O 3.06Å; F330-V421 PolarHBondContact O-N 2.97Å; F330-R427 HydrophobicContact CD1-CB 4.17Å; F330-R427 HydrophobicContact CD2-CB 3.86Å; F330-R427 HydrophobicContact CE1-CB 4.16Å; F330-R427 HydrophobicContact CE2-CB 3.85Å; F330-R427 HydrophobicContact CG-CB 4.02Å; F330-R427 HydrophobicContact CZ-CB 4.01Å; F330-L429 HydrophobicContact CE2-CD2 4.28Å; F330-L429 HydrophobicContact CE2-CG 4.32Å; F330-L429 HydrophobicContact CZ-CD2 3.98Å; F330-L429 HydrophobicContact CZ-CG 4.43Å |
| 331 | D | 97.6 | Very high | 91.8 | Very high | 102 Ų | 102 | 70.1 Ų | 70.1 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 141.2 | 178.5 | -62.6 | -29.4 | 0 | 0 | 0 | 112 | V418 M419 T420 | D331-V418 HydrophobicContact CB-CB 4.38Å; D331-M419 CarbonylContact C-O 3.56Å; D331-M419 WeakPolarHBondContact CA-O 3.37Å; D331-T420 WeakPolarHBondContact OD1-CB 3.49Å; D331-T420 PolarHBondContact OD1-OG1 3.46Å |
| 332 | V | 97.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.9 | 176 | 179.7 | 0 | 0 | 0 | 0 | 108 | F330 D336 V337 V418 M419 V421 L429 | F330-V332 HydrophobicContact CD2-CG2 3.91Å; F330-V332 HydrophobicContact CE2-CG2 3.67Å; V332-D336 HydrophobicContact CG1-CB 4.43Å; V332-V337 HydrophobicContact CG1-CG1 3.67Å; V332-V337 HydrophobicContact CG1-CG2 4.39Å; V332-V418 CarbonylContact O-C 3.58Å; V332-V418 WeakPolarHBondContact O-CA 3.34Å; V332-M419 HydrophobicContact CB-CE 4.05Å; V332-M419 HydrophobicContact CB-CG 4.17Å; V332-M419 HydrophobicContact CG1-CE 3.88Å; V332-M419 PolarHBondContact N-O 2.72Å; V332-M419 PolarHBondContact O-N 2.86Å; V332-V421 HydrophobicContact CG2-CG1 4.26Å; V332-V421 HydrophobicContact CG2-CG2 3.75Å; V332-L429 HydrophobicContact CG1-CD1 4.13Å; V332-L429 HydrophobicContact CG2-CD1 4.03Å; V332-L429 HydrophobicContact CG2-CG 4.31Å |
| 333 | R | 97.5 | Very high | 93.9 | Very high | 139 Ų | 139 | 62.5 Ų | 62.5 | 53% | 0.525 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 144.5 | 176.8 | -63.7 | 179.6 | -66.3 | -94 | -3.6 | 110.2 | S335 D336 V418 | R333-S335 PolarHBondContact O-N 3.24Å; R333-D336 HydrophobicContact CB-CB 4.43Å; R333-D336 IonicContact CZ-OD1 3.39Å; R333-D336 IonicContact CZ-OD2 3.11Å; R333-D336 IonicContact NE-OD1 3Å; R333-D336 PolarHBondContact NE-OD1 3.06Å; R333-D336 IonicContact NE-OD2 3.15Å; R333-D336 PolarHBondContact NE-OD2 3.43Å; R333-D336 VanDerWaalsContact NE-OD2 3.15Å; R333-D336 VanDerWaalsContact NH2-CG 3.26Å; R333-D336 IonicContact NH2-OD1 2.72Å; R333-D336 PolarHBondContact NH2-OD1 2.9Å; R333-D336 IonicContact NH2-OD2 2.7Å; R333-D336 PolarHBondContact NH2-OD2 2.86Å; R333-D336 WeakPolarHBondContact O-CB 3.32Å; R333-D336 PolarHBondContact O-N 3.18Å; R333-V418 HydrophobicContact CG-CG1 4.02Å |
| 334 | F | 97.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.1 | -32.9 | 175.6 | -64 | -10.4 | 0 | 0 | 0 | 112.4 | D336 V337 P370 V412 Q417 V418 M419 | F334-D336 VanDerWaalsContact C-N 3.26Å; F334-D336 PolarHBondContact O-N 3.45Å; F334-V337 VanDerWaalsContact O-O 3.07Å; F334-P370 HydrophobicContact CB-CB 4.27Å; F334-P370 HydrophobicContact CB-CG 4.02Å; F334-P370 HydrophobicContact CD1-CB 3.5Å; F334-P370 VanDerWaalsContact CD1-CB 3.5Å; F334-P370 HydrophobicContact CD1-CG 4.04Å; F334-P370 HydrophobicContact CD2-CB 3.75Å; F334-P370 HydrophobicContact CD2-CG 4.33Å; F334-P370 HydrophobicContact CE1-CB 3.67Å; F334-P370 HydrophobicContact CE2-CB 3.92Å; F334-P370 HydrophobicContact CG-CB 3.57Å; F334-P370 HydrophobicContact CG-CG 3.88Å; F334-P370 HydrophobicContact CZ-CB 3.9Å; F334-V412 HydrophobicContact CE1-CG1 4.02Å; F334-V412 HydrophobicContact CZ-CG1 3.59Å; F334-Q417 HydrophobicContact CD2-CB 3.89Å; F334-Q417 HydrophobicContact CD2-CG 4.37Å; F334-Q417 HydrophobicContact CE2-CB 4.29Å; F334-Q417 HydrophobicContact CG-CB 4.37Å; F334-Q417 WeakPolarHBondContact CG-O 3.42Å; F334-Q417 PolarHBondContact N-O 2.78Å; F334-V418 WeakPolarHBondContact CE1-O 3.43Å; F334-M419 HydrophobicContact CE1-CB 4.04Å; F334-M419 HydrophobicContact CE1-CG 4.44Å |
| 335 | S | 96.3 | Very high | 93.1 | Very high | 101 Ų | 101 | 62 Ų | 62 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -68.8 | -20.9 | 176.8 | 60 | 0 | 0 | 0 | 0 | 114.3 | R333 V337 | R333-S335 PolarHBondContact O-N 3.24Å; S335-V337 VanDerWaalsContact C-N 3.32Å |
| 336 | D | 94.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 62.6 Ų | 62.6 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -85.4 | -8.6 | -174.8 | -63.2 | -8.9 | 0 | 0 | 0 | 112.2 | V332 R333 F334 H432 | V332-D336 HydrophobicContact CG1-CB 4.43Å; R333-D336 HydrophobicContact CB-CB 4.43Å; R333-D336 IonicContact CZ-OD1 3.39Å; R333-D336 IonicContact CZ-OD2 3.11Å; R333-D336 IonicContact NE-OD1 3Å; R333-D336 PolarHBondContact NE-OD1 3.06Å; R333-D336 IonicContact NE-OD2 3.15Å; R333-D336 PolarHBondContact NE-OD2 3.43Å; R333-D336 VanDerWaalsContact NE-OD2 3.15Å; R333-D336 VanDerWaalsContact NH2-CG 3.26Å; R333-D336 IonicContact NH2-OD1 2.72Å; R333-D336 PolarHBondContact NH2-OD1 2.9Å; R333-D336 IonicContact NH2-OD2 2.7Å; R333-D336 PolarHBondContact NH2-OD2 2.86Å; R333-D336 WeakPolarHBondContact O-CB 3.32Å; R333-D336 PolarHBondContact O-N 3.18Å; F334-D336 VanDerWaalsContact C-N 3.26Å; F334-D336 PolarHBondContact O-N 3.45Å; D336-H432 PolarHBondContact O-ND1 2.92Å |
| 337 | V | 95.2 | Very high | 90.6 | Very high | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | trans | -138.1 | 157.7 | -174.8 | -63.4 | 0 | 0 | 0 | 0 | 112 | V332 F334 S335 I339 M419 L429 H432 L434 | V332-V337 HydrophobicContact CG1-CG1 3.67Å; V332-V337 HydrophobicContact CG1-CG2 4.39Å; F334-V337 VanDerWaalsContact O-O 3.07Å; S335-V337 VanDerWaalsContact C-N 3.32Å; V337-I339 HydrophobicContact CG2-CG1 4.35Å; V337-M419 HydrophobicContact CG1-CE 4.48Å; V337-M419 HydrophobicContact CG2-CE 3.7Å; V337-L429 HydrophobicContact CG1-CD1 3.98Å; V337-H432 CarbonylContact C-O 3.55Å; V337-H432 VanDerWaalsContact CA-O 3.26Å; V337-H432 WeakPolarHBondContact CA-O 3.42Å; V337-L434 HydrophobicContact CB-CD1 3.98Å; V337-L434 HydrophobicContact CB-CG 4.41Å; V337-L434 HydrophobicContact CG1-CD1 4Å; V337-L434 HydrophobicContact CG2-CD1 4.24Å | ||
| 338 | R | 95.3 | Very high | 89.5 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.1 | 170 | -60.6 | 174.6 | -139.8 | 143.3 | 11.8 | 108.2 | Y340 E386 H432 L434 | R338-Y340 HydrophobicContact CB-CD2 4.5Å; R338-Y340 HydrophobicContact CB-CE2 3.54Å; R338-E386 WeakPolarHBondContact CD-OE2 3.35Å; R338-E386 IonicContact CZ-OE2 2.67Å; R338-E386 IonicContact NH1-OE2 3.89Å; R338-E386 PolarHBondContact NH1-OE2 3.29Å; R338-H432 PolarHBondContact N-O 3.12Å; R338-L434 PolarHBondContact O-N 2.87Å |
| 339 | I | 95.7 | Very high | 88.3 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.7 | -177.1 | -51 | 178.6 | 0 | 0 | 0 | 108.3 | V337 V368 P370 L374 L379 M419 L434 I436 | V337-I339 HydrophobicContact CG2-CG1 4.35Å; I339-V368 HydrophobicContact CB-CB 4.19Å; I339-V368 HydrophobicContact CG2-CB 3.97Å; I339-V368 HydrophobicContact CG2-CG1 4.41Å; I339-V368 PolarHBondContact O-N 3.41Å; I339-P370 HydrophobicContact CD1-CG 4.12Å; I339-L374 HydrophobicContact CD1-CD1 3.52Å; I339-L379 HydrophobicContact CD1-CD1 4.35Å; I339-M419 HydrophobicContact CD1-SD 4.35Å; I339-L434 CarbonylContact C-O 3.59Å; I339-L434 WeakPolarHBondContact CA-O 3.39Å; I339-L434 HydrophobicContact CG1-CB 4.22Å; I339-L434 HydrophobicContact CG1-CD1 4.28Å; I339-I436 HydrophobicContact CG2-CB 4.2Å |
| 340 | Y | 95 | Very high | 87.3 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.8 | 177.6 | -58.5 | -89.9 | 0 | 0 | 0 | 111.5 | R338 L365 V366 P367 E386 L398 T433 L434 L435 I436 | R338-Y340 HydrophobicContact CB-CD2 4.5Å; R338-Y340 HydrophobicContact CB-CE2 3.54Å; Y340-L365 HydrophobicContact CD1-CB 4.26Å; Y340-V366 CarbonylContact C-O 3.57Å; Y340-V366 WeakPolarHBondContact CA-O 3.27Å; Y340-P367 HydrophobicContact CD1-CB 4.29Å; Y340-P367 HydrophobicContact CE1-CB 4.14Å; Y340-E386 PolarHBondContact OH-OE1 3.23Å; Y340-E386 PolarHBondContact OH-OE2 2.87Å; Y340-L398 HydrophobicContact CD2-CD2 3.86Å; Y340-L398 HydrophobicContact CE2-CD2 4.41Å; Y340-L398 HydrophobicContact CG-CD2 4.23Å; Y340-T433 HydrophobicContact CD2-CG2 4.08Å; Y340-T433 HydrophobicContact CE2-CG2 4.02Å; Y340-L434 PolarHBondContact N-O 3.34Å; Y340-L435 WeakPolarHBondContact O-CA 3.32Å; Y340-I436 PolarHBondContact O-N 3.01Å |
| 341 | K | 93.3 | Very high | 86 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.5 | 164.1 | -173.4 | 166.6 | -173.8 | 158.5 | 0 | 109 | V366 V368 I436 D438 | K341-V366 PolarHBondContact N-O 3.18Å; K341-V366 PolarHBondContact O-N 3.44Å; K341-V368 HydrophobicContact CB-CG2 3.86Å; K341-I436 HydrophobicContact CB-CG2 3.65Å; K341-I436 HydrophobicContact CD-CG2 4.32Å; K341-I436 HydrophobicContact CG-CG2 3.99Å; K341-D438 IonicContact NZ-OD1 2.76Å; K341-D438 PolarHBondContact NZ-OD1 2.86Å; K341-D438 IonicContact NZ-OD2 4Å |
| 342 | I | 92.1 | Very high | 84.8 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.6 | 173.4 | -54.2 | 176.1 | 0 | 0 | 0 | 109.2 | L211 L365 L399 L435 | L211-I342 HydrophobicContact CD1-CD1 4.36Å; L211-I342 HydrophobicContact CD1-CG2 4.11Å; L211-I342 HydrophobicContact CD2-CB 4.15Å; L211-I342 HydrophobicContact CD2-CD1 4.09Å; L211-I342 HydrophobicContact CD2-CG2 3.73Å; L211-I342 HydrophobicContact CG-CG2 4.44Å; I342-L365 HydrophobicContact CG1-CD2 3.93Å; I342-L399 HydrophobicContact CB-CD2 4.21Å; I342-L399 HydrophobicContact CD1-CD2 3.62Å; I342-L399 HydrophobicContact CG1-CD2 3.71Å; I342-L399 HydrophobicContact CG2-CD2 3.48Å; I342-L399 VanDerWaalsContact CG2-CD2 3.48Å; I342-L435 HydrophobicContact CD1-CD1 4.4Å; I342-L435 HydrophobicContact CG1-CD2 4.38Å |
| 343 | G | 87 | Confident | 83.7 | Confident | 11 Ų | 11 | 65 Ų | 65 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 91 | 120.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q362 K364 | G343-Q362 VanDerWaalsContact CA-O 3.22Å; G343-Q362 WeakPolarHBondContact CA-O 3.4Å; G343-K364 PolarHBondContact N-O 2.9Å |
| 344 | A | 77.4 | Confident | 82.2 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 152.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | S346 T361 V366 | A344-S346 PolarHBondContact O-N 3.39Å; A344-T361 PolarHBondContact N-O 2.92Å; A344-V366 HydrophobicContact CB-CG2 3.95Å |
| 345 | P | 70.4 | Confident | 80.8 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 140.3 | 172.1 | -21.4 | 31.6 | 0 | 0 | 0 | 110.6 | I347 | P345-I347 PolarHBondContact O-N 3.31Å; P345-I347 VanDerWaalsContact O-N 3.13Å |
| 346 | S | 66.7 | Low | 79.6 | Confident | 111 Ų | 111 | 69.1 Ų | 69.1 | 78% | 0.776 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 117.9 | 171.4 | 54.7 | 0 | 0 | 0 | 0 | 109 | A344 | A344-S346 PolarHBondContact O-N 3.39Š|
| 347 | I | 67.7 | Low | 78.5 | Confident | 67 Ų | 67 | 69 Ų | 69 | 34% | 0.344 | 42% | 0.419 | S | S | . | . | trans | -111.2 | 145.9 | 173.8 | 50.5 | 173.4 | 0 | 0 | 0 | 108.5 | P345 C351 L352 | P345-I347 PolarHBondContact O-N 3.31Å; P345-I347 VanDerWaalsContact O-N 3.13Å; I347-C351 HydrophobicContact CB-CB 4.31Å; I347-C351 HydrophobicContact CD1-CB 4.41Å; I347-L352 HydrophobicContact CD1-CD2 3.84Å; I347-L352 HydrophobicContact CD1-CG 4.47Å; I347-L352 HydrophobicContact CG1-CD2 3.88Å; I347-L352 HydrophobicContact CG1-CG 4.42Å | ||
| 348 | P | 72.9 | Confident | 77.2 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 53% | 0.532 | 43% | 0.433 | S | S | . | . | trans | -54.9 | 150 | 176.4 | -24.4 | 33.6 | 0 | 0 | 0 | 111.5 | S350 C351 | P348-S350 PolarHBondContact O-N 2.8Å; P348-S350 VanDerWaalsContact O-N 3.08Å; P348-C351 WeakPolarHBondContact O-CA 3.18Å; P348-C351 WeakPolarHBondContact O-CB 3.31Å; P348-C351 PolarHBondContact O-N 3.19Å | ||
| 349 | D | 69.7 | Low | 75.9 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 60% | 0.599 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -57.3 | -30 | -178.6 | -66.8 | -19.5 | 0 | 0 | 0 | 112.6 | C351 L352 Q358 | D349-C351 PolarHBondContact O-N 3.03Å; D349-L352 PolarHBondContact O-N 2.88Å; D349-Q358 WeakPolarHBondContact OD1-CG 3.26Å; D349-Q358 PolarHBondContact OD1-NE2 2.96Å |
| 350 | S | 75.6 | Confident | 74.8 | Confident | 110 Ų | 110 | 74.7 Ų | 74.7 | 77% | 0.769 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -63.4 | -18.5 | 174.6 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | P348 | P348-S350 PolarHBondContact O-N 2.8Å; P348-S350 VanDerWaalsContact O-N 3.08Å |
| 351 | C | 71 | Confident | 74.1 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 53% | 0.527 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -104.6 | 0.5 | -178.5 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | I347 P348 D349 | I347-C351 HydrophobicContact CB-CB 4.31Å; I347-C351 HydrophobicContact CD1-CB 4.41Å; P348-C351 WeakPolarHBondContact O-CA 3.18Å; P348-C351 WeakPolarHBondContact O-CB 3.31Å; P348-C351 PolarHBondContact O-N 3.19Å; D349-C351 PolarHBondContact O-N 3.03Å |
| 352 | L | 73.4 | Confident | 73.6 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 15% | 0.152 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -77.9 | 139.5 | 175.7 | -71 | 170 | 0 | 0 | 0 | 110.6 | I347 D349 Q358 T361 | I347-L352 HydrophobicContact CD1-CD2 3.84Å; I347-L352 HydrophobicContact CD1-CG 4.47Å; I347-L352 HydrophobicContact CG1-CD2 3.88Å; I347-L352 HydrophobicContact CG1-CG 4.42Å; D349-L352 PolarHBondContact O-N 2.88Å; L352-Q358 HydrophobicContact CD1-CG 3.84Å; L352-T361 HydrophobicContact CD2-CG2 4.11Å |
| 353 | P | 73.3 | Confident | 73.5 | Confident | 77 Ų | 77 | 75 Ų | 75 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 147.4 | 170.3 | -23.8 | 34.2 | 0 | 0 | 0 | 111.8 | G355 M356 | P353-G355 PolarHBondContact O-N 2.98Å; P353-G355 VanDerWaalsContact O-N 3.13Å; P353-M356 HydrophobicContact CB-CG 4.2Å; P353-M356 HydrophobicContact CB-SD 4.13Å; P353-M356 HydrophobicContact CG-CG 4.46Å; P353-M356 HydrophobicContact CG-SD 3.83Å; P353-M356 PolarHBondContact O-N 2.89Å |
| 354 | L | 67 | Low | 73.5 | Confident | 186 Ų | 186 | 79.8 Ų | 79.8 | 97% | 0.974 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 119.8 | 176 | -82.2 | 149.8 | 0 | 0 | 0 | 110.8 | ||
| 355 | G | 68.2 | Low | 74 | Confident | 85 Ų | 85 | 81.1 Ų | 81.1 | 88% | 0.876 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -1.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P353 | P353-G355 PolarHBondContact O-N 2.98Å; P353-G355 VanDerWaalsContact O-N 3.13Å |
| 356 | M | 70.4 | Confident | 75 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 36% | 0.36 | 46% | 0.463 | S | S | . | . | trans | -95.4 | 139.5 | 172 | -68.8 | -165.8 | 75.6 | 0 | 0 | 111.7 | P353 D360 T361 | P353-M356 HydrophobicContact CB-CG 4.2Å; P353-M356 HydrophobicContact CB-SD 4.13Å; P353-M356 HydrophobicContact CG-CG 4.46Å; P353-M356 HydrophobicContact CG-SD 3.83Å; P353-M356 PolarHBondContact O-N 2.89Å; M356-D360 HydrophobicContact CE-CB 3.9Å; M356-T361 HydrophobicContact CE-CG2 4.37Å | ||
| 357 | S | 71.9 | Confident | 76.2 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | trans | -98.1 | 158.5 | 168.5 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | D359 D360 | S357-D359 PolarHBondContact O-N 2.96Å; S357-D359 VanDerWaalsContact O-N 3.09Å; S357-D359 VanDerWaalsContact OG-CB 3.25Å; S357-D359 WeakPolarHBondContact OG-CB 3.34Å; S357-D359 PolarHBondContact OG-N 2.67Å; S357-D360 WeakPolarHBondContact CB-OD2 3.25Å; S357-D360 PolarHBondContact N-OD2 2.87Å; S357-D360 WeakPolarHBondContact O-CB 3.37Å; S357-D360 PolarHBondContact O-N 2.78Å; S357-D360 PolarHBondContact OG-N 2.95Å; S357-D360 PolarHBondContact OG-OD2 2.84Å | ||
| 358 | Q | 67.5 | Low | 77.5 | Confident | 82 Ų | 82 | 76.3 Ų | 76.3 | 38% | 0.383 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -53.9 | -29.4 | 169.1 | -68.2 | -169.9 | 2.3 | 0 | 0 | 111.9 | D349 L352 D360 T361 | D349-Q358 WeakPolarHBondContact OD1-CG 3.26Å; D349-Q358 PolarHBondContact OD1-NE2 2.96Å; L352-Q358 HydrophobicContact CD1-CG 3.84Å; Q358-D360 VanDerWaalsContact C-N 3.27Å; Q358-D360 PolarHBondContact O-N 3.04Å; Q358-T361 PolarHBondContact O-N 2.85Å; Q358-T361 PolarHBondContact O-OG1 2.81Å |
| 359 | D | 68.4 | Low | 78.5 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 44% | 0.444 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.6 | -24.7 | -178.9 | -102.8 | 18.4 | 0 | 0 | 0 | 113.4 | K210 S357 | K210-D359 WeakPolarHBondContact CE-OD1 3.44Å; K210-D359 VanDerWaalsContact CE-OD2 3.23Å; K210-D359 WeakPolarHBondContact CE-OD2 3.43Å; K210-D359 PolarHBondContact NZ-O 2.85Å; K210-D359 IonicContact NZ-OD1 2.7Å; K210-D359 PolarHBondContact NZ-OD1 3.43Å; K210-D359 IonicContact NZ-OD2 3.99Å; K210-D359 PolarHBondContact NZ-OD2 2.96Å; S357-D359 PolarHBondContact O-N 2.96Å; S357-D359 VanDerWaalsContact O-N 3.09Å; S357-D359 VanDerWaalsContact OG-CB 3.25Å; S357-D359 WeakPolarHBondContact OG-CB 3.34Å; S357-D359 PolarHBondContact OG-N 2.67Å |
| 360 | D | 71 | Confident | 79.7 | Confident | 88 Ų | 88 | 74.6 Ų | 74.6 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -81.7 | -17.4 | 176.9 | -60.6 | -49.9 | 0 | 0 | 0 | 112.6 | M356 S357 Q358 | M356-D360 HydrophobicContact CE-CB 3.9Å; S357-D360 WeakPolarHBondContact CB-OD2 3.25Å; S357-D360 PolarHBondContact N-OD2 2.87Å; S357-D360 WeakPolarHBondContact O-CB 3.37Å; S357-D360 PolarHBondContact O-N 2.78Å; S357-D360 PolarHBondContact OG-N 2.95Å; S357-D360 PolarHBondContact OG-OD2 2.84Å; Q358-D360 VanDerWaalsContact C-N 3.27Å; Q358-D360 PolarHBondContact O-N 3.04Å |
| 361 | T | 80.4 | Confident | 80.5 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -88.6 | -19.4 | -178.5 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | A344 L352 M356 Q358 L363 K364 | A344-T361 PolarHBondContact N-O 2.92Å; L352-T361 HydrophobicContact CD2-CG2 4.11Å; M356-T361 HydrophobicContact CE-CG2 4.37Å; Q358-T361 PolarHBondContact O-N 2.85Å; Q358-T361 PolarHBondContact O-OG1 2.81Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.21Å; T361-K364 WeakPolarHBondContact O-CB 3.49Å; T361-K364 PolarHBondContact O-N 3.17Å; T361-K364 VanDerWaalsContact O-N 3.17Å |
| 362 | Q | 84.6 | Confident | 81.6 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29 | -174.9 | -69.4 | -179.4 | -6.4 | 0 | 0 | 113.8 | N208 K210 G343 | N208-Q362 PolarHBondContact ND2-O 3.34Å; K210-Q362 HydrophobicContact CD-CB 4.35Å; G343-Q362 VanDerWaalsContact CA-O 3.22Å; G343-Q362 WeakPolarHBondContact CA-O 3.4Å |
| 363 | L | 88.7 | Confident | 82.6 | Confident | 57 Ų | 57 | 80.2 Ų | 80.2 | 30% | 0.298 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 4.4 | 177.3 | -60.5 | -177.6 | 0 | 0 | 0 | 112.7 | K210 L211 T361 L399 | K210-L363 HydrophobicContact CB-CD2 4.24Å; L211-L363 HydrophobicContact CB-CD2 3.94Å; L211-L363 HydrophobicContact CD1-CD2 4.2Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.21Å; L363-L399 HydrophobicContact CB-CD1 4.08Å; L363-L399 VanDerWaalsContact O-CD1 3.29Å; L363-L399 WeakPolarHBondContact O-CD1 3.22Å |
| 364 | K | 87.3 | Confident | 83.7 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | trans | -71.5 | 135.9 | -178 | -171 | 175 | -179.9 | 178.3 | 0 | 110.6 | G343 T361 | G343-K364 PolarHBondContact N-O 2.9Å; T361-K364 WeakPolarHBondContact O-CB 3.49Å; T361-K364 PolarHBondContact O-N 3.17Å; T361-K364 VanDerWaalsContact O-N 3.17Å | ||
| 365 | L | 88.8 | Confident | 85.1 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.288 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.7 | 168.3 | -67.2 | 166 | 0 | 0 | 0 | 109.2 | Y340 I342 L398 L399 | Y340-L365 HydrophobicContact CD1-CB 4.26Å; I342-L365 HydrophobicContact CG1-CD2 3.93Å; L365-L398 HydrophobicContact CD1-CB 3.84Å; L365-L398 HydrophobicContact CD1-CD2 4Å; L365-L398 HydrophobicContact CD1-CG 4.42Å; L365-L398 HydrophobicContact CD2-CD2 3.97Å; L365-L398 HydrophobicContact CD2-CG 4.41Å; L365-L399 HydrophobicContact CD2-CD2 3.75Å; L365-L399 HydrophobicContact CG-CD2 4.16Å |
| 366 | V | 90.6 | Very high | 86.4 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 26% | 0.261 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.1 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | Y340 K341 A344 | Y340-V366 CarbonylContact C-O 3.57Å; Y340-V366 WeakPolarHBondContact CA-O 3.27Å; K341-V366 PolarHBondContact N-O 3.18Å; K341-V366 PolarHBondContact O-N 3.44Å; A344-V366 HydrophobicContact CB-CG2 3.95Å |
| 367 | P | 92.5 | Very high | 87.7 | Confident | 95 Ų | 95 | 65.7 Ų | 65.7 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 138.8 | 175.4 | 27.6 | -33.6 | 0 | 0 | 0 | 110 | Y340 | Y340-P367 HydrophobicContact CD1-CB 4.29Å; Y340-P367 HydrophobicContact CE1-CB 4.14Å |
| 368 | V | 94.1 | Very high | 89 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | trans | -111.1 | 114.3 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | I339 K341 P370 L374 I436 | I339-V368 HydrophobicContact CB-CB 4.19Å; I339-V368 HydrophobicContact CG2-CB 3.97Å; I339-V368 HydrophobicContact CG2-CG1 4.41Å; I339-V368 PolarHBondContact O-N 3.41Å; K341-V368 HydrophobicContact CB-CG2 3.86Å; V368-P370 WeakPolarHBondContact O-CD 3.33Å; V368-L374 HydrophobicContact CG1-CD2 4.05Å; V368-I436 HydrophobicContact CG2-CG2 4.12Å | ||
| 369 | T | 93.8 | Very high | 90.5 | Very high | 128 Ų | 128 | 59.5 Ų | 59.5 | 79% | 0.785 | 32% | 0.315 | S | S | * | . | trans | -68.6 | 125.6 | 173.6 | -54.7 | 0 | 0 | 0 | 0 | 109.3 | G371 | T369-G371 PolarHBondContact O-N 2.84Š| ||
| 370 | P | 94.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 20% | 0.195 | 29% | 0.294 | C | S | . | . | trans | -59.4 | 129.6 | 177.1 | -24.9 | 34.9 | 0 | 0 | 0 | 112.5 | F334 I339 V368 L374 | F334-P370 HydrophobicContact CB-CB 4.27Å; F334-P370 HydrophobicContact CB-CG 4.02Å; F334-P370 HydrophobicContact CD1-CB 3.5Å; F334-P370 VanDerWaalsContact CD1-CB 3.5Å; F334-P370 HydrophobicContact CD1-CG 4.04Å; F334-P370 HydrophobicContact CD2-CB 3.75Å; F334-P370 HydrophobicContact CD2-CG 4.33Å; F334-P370 HydrophobicContact CE1-CB 3.67Å; F334-P370 HydrophobicContact CE2-CB 3.92Å; F334-P370 HydrophobicContact CG-CB 3.57Å; F334-P370 HydrophobicContact CG-CG 3.88Å; F334-P370 HydrophobicContact CZ-CB 3.9Å; I339-P370 HydrophobicContact CD1-CG 4.12Å; V368-P370 WeakPolarHBondContact O-CD 3.33Å; P370-L374 HydrophobicContact CB-CD1 3.87Å | ||
| 371 | G | 93.3 | Very high | 93.1 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | trans | -159.5 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T369 D373 L374 | T369-G371 PolarHBondContact O-N 2.84Å; G371-D373 PolarHBondContact O-N 3.45Å; G371-L374 WeakPolarHBondContact O-CB 3.37Å; G371-L374 PolarHBondContact O-N 2.81Å | ||
| 372 | R | 94.1 | Very high | 93.8 | Very high | 181 Ų | 181 | 50.8 Ų | 50.8 | 68% | 0.683 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -56.5 | -27.7 | -176.1 | -65.7 | -175.8 | 179.7 | -165.9 | -2 | 113.1 | L374 T375 T414 | R372-L374 PolarHBondContact O-N 3.24Å; R372-T375 WeakPolarHBondContact O-CB 3.38Å; R372-T375 PolarHBondContact O-N 2.92Å; R372-T375 VanDerWaalsContact O-N 3.09Å; R372-T375 PolarHBondContact O-OG1 3.03Å; R372-T414 HydrophobicContact CG-CG2 4.15Å |
| 373 | D | 94.1 | Very high | 94.1 | Very high | 135 Ų | 135 | 50.1 Ų | 50.1 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -66.6 | -16.1 | 178.2 | -61.8 | -30.9 | 0 | 0 | 0 | 114 | G371 T375 H377 | G371-D373 PolarHBondContact O-N 3.45Å; D373-T375 PolarHBondContact O-N 3.07Å; D373-H377 PolarHBondContact O-CD2 3.32Å; D373-H377 PolarHBondContact O-NE2 3.48Å |
| 374 | L | 95.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -71.5 | -16.6 | 172.4 | -70.9 | -176.5 | 0 | 0 | 0 | 113.1 | I339 V368 P370 G371 R372 H376 H377 V409 V412 I436 | I339-L374 HydrophobicContact CD1-CD1 3.52Å; V368-L374 HydrophobicContact CG1-CD2 4.05Å; P370-L374 HydrophobicContact CB-CD1 3.87Å; G371-L374 WeakPolarHBondContact O-CB 3.37Å; G371-L374 PolarHBondContact O-N 2.81Å; R372-L374 PolarHBondContact O-N 3.24Å; L374-H376 PolarHBondContact O-N 2.9Å; L374-H377 WeakPolarHBondContact O-CB 3.37Å; L374-H377 PolarHBondContact O-N 3.47Å; L374-V409 HydrophobicContact CB-CG1 4.37Å; L374-V409 WeakPolarHBondContact O-CB 3.27Å; L374-V412 HydrophobicContact CB-CG2 4.17Å; L374-I436 HydrophobicContact CD2-CD1 3.5Å; L374-I436 HydrophobicContact CD2-CG1 4.43Å |
| 375 | T | 96.6 | Very high | 93 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 132.7 | -176.5 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | R372 D373 H377 | R372-T375 WeakPolarHBondContact O-CB 3.38Å; R372-T375 PolarHBondContact O-N 2.92Å; R372-T375 VanDerWaalsContact O-N 3.09Å; R372-T375 PolarHBondContact O-OG1 3.03Å; D373-T375 PolarHBondContact O-N 3.07Å; T375-H377 PolarHBondContact O-N 3.06Å |
| 376 | H | 97.1 | Very high | 91.7 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 0.8 | -176.8 | -50 | -47 | 0 | 0 | 0 | 115.9 | L374 V409 R440 F441 I442 | L374-H376 PolarHBondContact O-N 2.9Å; H376-V409 WeakPolarHBondContact CA-O 3.5Å; H376-V409 PolarHBondContact N-O 2.79Å; H376-R440 HydrophobicContact CB-CB 4.37Å; H376-R440 CarbonylContact O-C 3.5Å; H376-R440 WeakPolarHBondContact O-CA 3.41Å; H376-R440 WeakPolarHBondContact O-CB 3.46Å; H376-F441 WeakPolarHBondContact CB-O 3.46Å; H376-F441 PolarHBondContact O-N 3.47Å; H376-I442 HydrophobicContact CB-CG1 4.22Å |
| 377 | H | 97.9 | Very high | 90 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 138.5 | 173.6 | -82.8 | -92.3 | 0 | 0 | 0 | 111.4 | D373 L374 T375 L379 V409 I436 M437 R440 | D373-H377 PolarHBondContact O-CD2 3.32Å; D373-H377 PolarHBondContact O-NE2 3.48Å; L374-H377 WeakPolarHBondContact O-CB 3.37Å; L374-H377 PolarHBondContact O-N 3.47Å; T375-H377 PolarHBondContact O-N 3.06Å; H377-L379 HydrophobicContact CB-CD2 4.35Å; H377-V409 PolarHBondContact O-N 3.23Å; H377-V409 VanDerWaalsContact O-N 3.1Å; H377-I436 HydrophobicContact CB-CD1 4.36Å; H377-I436 HydrophobicContact CB-CG1 4.15Å; H377-M437 PolarHBondContact CE1-O 2.85Å; H377-M437 PolarHBondContact ND1-O 2.77Å; H377-R440 PolarHBondContact NE2-NE 2.72Å; H377-R440 PolarHBondContact NE2-NH2 3.11Å |
| 378 | V | 98.3 | Very high | 88 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131 | 163.8 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | I313 F406 I407 V408 M437 I439 F441 | I313-V378 HydrophobicContact CD1-CG2 4.22Å; V378-F406 HydrophobicContact CG1-CB 4.11Å; V378-F406 HydrophobicContact CG1-CD1 4.21Å; V378-I407 WeakPolarHBondContact CA-O 3.4Å; V378-V408 HydrophobicContact CG2-CG2 4.08Å; V378-M437 HydrophobicContact CB-CB 4.39Å; V378-M437 HydrophobicContact CB-CG 4.4Å; V378-M437 HydrophobicContact CB-SD 3.87Å; V378-M437 HydrophobicContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact O-CB 3.31Å; V378-M437 WeakPolarHBondContact O-CB 3.43Å; V378-M437 WeakPolarHBondContact O-CG 3.38Å; V378-M437 PolarHBondContact O-N 2.81Å; V378-I439 HydrophobicContact CG2-CB 4.49Å; V378-I439 HydrophobicContact CG2-CG2 3.99Å; V378-I439 PolarHBondContact N-O 3.47Å; V378-F441 HydrophobicContact CG2-CB 4.17Å |
| 379 | L | 98.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.2 | 174 | -51.6 | -178 | 0 | 0 | 0 | 109.2 | I339 H377 F406 I407 V409 L434 L435 I436 | I339-L379 HydrophobicContact CD1-CD1 4.35Å; H377-L379 HydrophobicContact CB-CD2 4.35Å; L379-F406 CarbonylContact O-C 3.51Å; L379-F406 VanDerWaalsContact O-CA 3.3Å; L379-F406 WeakPolarHBondContact O-CA 3.33Å; L379-I407 HydrophobicContact CB-CD1 4.42Å; L379-I407 HydrophobicContact CB-CG1 3.82Å; L379-I407 HydrophobicContact CD1-CD1 4.35Å; L379-I407 HydrophobicContact CD1-CG1 4.44Å; L379-I407 HydrophobicContact CG-CG1 4.47Å; L379-I407 PolarHBondContact N-O 2.83Å; L379-I407 PolarHBondContact O-N 2.73Å; L379-V409 HydrophobicContact CD1-CG2 3.58Å; L379-V409 HydrophobicContact CG-CG2 4.03Å; L379-L434 HydrophobicContact CD1-CD1 3.85Å; L379-L435 CarbonylContact C-O 3.57Å; L379-L435 WeakPolarHBondContact CA-O 3.38Å; L379-I436 HydrophobicContact CD2-CB 3.85Å; L379-I436 HydrophobicContact CD2-CG1 3.76Å |
| 380 | S | 97.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.6 | 169.5 | -44.4 | 0 | 0 | 0 | 0 | 110.1 | H199 F406 L434 L435 | H199-S380 PolarHBondContact ND1-OG 3.48Å; S380-F406 WeakPolarHBondContact OG-CD1 3.48Å; S380-F406 VanDerWaalsContact OG-CE1 3.22Å; S380-F406 WeakPolarHBondContact OG-CE1 3.27Å; S380-L434 CarbonylContact O-C 3.54Å; S380-L434 WeakPolarHBondContact O-CA 3.15Å; S380-L435 PolarHBondContact N-O 3.43Å; S380-L435 PolarHBondContact O-N 3.07Å |
| 381 | V | 97 | Very high | 80.5 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | V403 C404 G405 I407 P430 R431 L434 | V381-V403 CarbonylContact O-C 3.5Å; V381-V403 WeakPolarHBondContact O-CA 3.13Å; V381-V403 WeakPolarHBondContact O-CB 3.45Å; V381-C404 PolarHBondContact O-N 2.94Å; V381-G405 PolarHBondContact N-O 3.25Å; V381-I407 HydrophobicContact CG2-CD1 4.47Å; V381-I407 HydrophobicContact CG2-CG1 4.37Å; V381-I407 HydrophobicContact CG2-CG2 4.03Å; V381-P430 HydrophobicContact CG1-CG 4.04Å; V381-R431 HydrophobicContact CG1-CB 3.79Å; V381-L434 HydrophobicContact CB-CD2 4.19Å; V381-L434 HydrophobicContact CG1-CD2 4.19Å; V381-L434 HydrophobicContact CG2-CD2 3.82Å |
| 382 | S | 94.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 142 | -179.1 | 174 | 0 | 0 | 0 | 0 | 110.9 | A384 L398 R431 T433 | S382-A384 VanDerWaalsContact C-N 3.3Å; S382-A384 PolarHBondContact OG-N 2.81Å; S382-A384 PolarHBondContact OG-O 2.76Å; S382-L398 VanDerWaalsContact CB-CD1 3.48Å; S382-L398 WeakPolarHBondContact OG-CD1 3.31Å; S382-R431 VanDerWaalsContact O-CB 3.25Å; S382-R431 WeakPolarHBondContact O-CB 3.3Å; S382-R431 VanDerWaalsContact O-CG 3.26Å; S382-R431 WeakPolarHBondContact O-CG 3.31Å; S382-T433 WeakPolarHBondContact CB-O 3.37Å; S382-T433 PolarHBondContact N-O 3.2Å |
| 383 | C | 90.5 | Very high | 75.3 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 27% | 0.27 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -80.6 | -9.8 | 170.5 | -67 | 0 | 0 | 0 | 0 | 114.1 | P402 C404 | C383-P402 WeakPolarHBondContact CB-O 3.37Å; C383-P402 PolarHBondContact N-O 2.98Å; C383-C404 WeakPolarHBondContact CA-SG 3.47Å; C383-C404 WeakPolarHBondContact CB-SG 3.13Å; C383-C404 WeakPolarHBondContact SG-CA 3.35Å; C383-C404 WeakPolarHBondContact SG-CB 3.41Å; C383-C404 PolarHBondContact SG-N 3.1Å; C383-C404 CovalentContact SG-SG 2.07Å; C383-C404 PolarHBondContact SG-SG 2.67Å |
| 384 | A | 83 | Confident | 72.6 | Confident | 20 Ų | 20 | 53 Ų | 53 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | trans | -104 | 134.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S382 S401 | S382-A384 VanDerWaalsContact C-N 3.3Å; S382-A384 PolarHBondContact OG-N 2.81Å; S382-A384 PolarHBondContact OG-O 2.76Å; A384-S401 WeakPolarHBondContact CB-OG 3.43Å | ||
| 385 | D | 70.4 | Confident | 70.3 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 17% | 0.166 | 39% | 0.391 | C | S | . | . | trans | -95.3 | 148.2 | 166.2 | -69.5 | -50.9 | 0 | 0 | 0 | 110.5 | G387 E388 R431 T433 | D385-G387 PolarHBondContact O-N 3.28Å; D385-E388 HydrophobicContact CB-CG 4.22Å; D385-E388 PolarHBondContact O-N 3.21Å; D385-R431 WeakPolarHBondContact OD2-CD 3.27Å; D385-R431 IonicContact OD2-CZ 2.73Å; D385-R431 IonicContact OD2-NE 3.7Å; D385-R431 IonicContact OD2-NH1 3.31Å; D385-R431 PolarHBondContact OD2-NH1 3.15Å; D385-T433 PolarHBondContact OD1-OG1 3.24Å | ||
| 386 | E | 61.2 | Low | 68.5 | Low | 95 Ų | 95 | 64.6 Ų | 64.6 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 125.5 | 175.2 | -70.3 | -179.8 | 140.8 | 0 | 0 | 110.6 | R338 Y340 | R338-E386 WeakPolarHBondContact CD-OE2 3.35Å; R338-E386 IonicContact CZ-OE2 2.67Å; R338-E386 IonicContact NH1-OE2 3.89Å; R338-E386 PolarHBondContact NH1-OE2 3.29Å; Y340-E386 PolarHBondContact OH-OE1 3.23Å; Y340-E386 PolarHBondContact OH-OE2 2.87Å |
| 387 | G | 55.8 | Low | 67.4 | Low | 81 Ų | 81 | 63.4 Ų | 63.4 | 84% | 0.835 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | -1.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D385 E389 | D385-G387 PolarHBondContact O-N 3.28Å; G387-E389 PolarHBondContact O-N 2.79Å |
| 388 | E | 50.7 | Low | 66.6 | Low | 111 Ų | 111 | 63.5 Ų | 63.5 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 117.9 | 171.5 | -78.5 | -170.2 | 149.2 | 0 | 0 | 110.8 | D385 V390 R431 | D385-E388 HydrophobicContact CB-CG 4.22Å; D385-E388 PolarHBondContact O-N 3.21Å; E388-V390 PolarHBondContact O-N 2.98Å; E388-R431 IonicContact OE1-NH1 2.72Å; E388-R431 PolarHBondContact OE1-NH1 2.94Å; E388-R431 IonicContact OE2-CZ 3.9Å; E388-R431 IonicContact OE2-NH1 2.96Å; E388-R431 PolarHBondContact OE2-NH1 3.37Å |
| 389 | E | 43.9 | Very low | 66 | Low | 168 Ų | 168 | 65 Ų | 65 | 79% | 0.785 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 116.8 | 165.9 | -66.6 | -163.2 | 155.2 | 0 | 0 | 109.1 | G387 A391 | G387-E389 PolarHBondContact O-N 2.79Å; E389-A391 PolarHBondContact O-N 2.81Å |
| 390 | V | 44.2 | Very low | 65.5 | Low | 92 Ų | 92 | 66.9 Ų | 66.9 | 56% | 0.558 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 125.2 | 170.2 | -174 | 0 | 0 | 0 | 0 | 108.4 | E388 G392 | E388-V390 PolarHBondContact O-N 2.98Å; V390-G392 PolarHBondContact O-N 3.38Å; V390-G392 VanDerWaalsContact O-N 3.08Å |
| 391 | A | 34.9 | Very low | 65.1 | Low | 105 Ų | 105 | 67.5 Ų | 67.5 | 87% | 0.868 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 113.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E389 | E389-A391 PolarHBondContact O-N 2.81Š|
| 392 | G | 44.3 | Very low | 65 | Low | 77 Ų | 77 | 69.3 Ų | 69.3 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 133 | -0.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V390 V394 | V390-G392 PolarHBondContact O-N 3.38Å; V390-G392 VanDerWaalsContact O-N 3.08Å; G392-V394 VanDerWaalsContact C-N 3.35Å; G392-V394 PolarHBondContact O-N 3.18Å |
| 393 | G | 34.8 | Very low | 65.1 | Low | 77 Ų | 77 | 70 Ų | 70 | 79% | 0.794 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 81.8 | -0.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 394 | V | 38.2 | Very low | 65.2 | Low | 98 Ų | 98 | 71.3 Ų | 71.3 | 59% | 0.594 | 44% | 0.444 | S | S | * | . | trans | -106.3 | 110.2 | 172 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | G392 R396 | G392-V394 VanDerWaalsContact C-N 3.35Å; G392-V394 PolarHBondContact O-N 3.18Å; V394-R396 PolarHBondContact O-N 2.86Å | ||
| 395 | R | 47.2 | Very low | 65.9 | Low | 222 Ų | 222 | 70.8 Ų | 70.8 | 84% | 0.838 | 44% | 0.44 | S | S | * | . | trans | -69.1 | 99.3 | 171.8 | -68.9 | -178.5 | -176.3 | 155.2 | 1.1 | 109 | G397 | R395-G397 PolarHBondContact O-N 3.04Š| ||
| 396 | R | 57.8 | Low | 67.2 | Low | 57 Ų | 57 | 69.5 Ų | 69.5 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | trans | -80.3 | 113.3 | 164.4 | -73.8 | -169.7 | 175.1 | -152 | 1.8 | 108.5 | E221 V394 E400 | E221-R396 IonicContact OE1-CZ 3.34Å; E221-R396 IonicContact OE1-NH2 3.93Å; E221-R396 PolarHBondContact OE1-NH2 3.49Å; E221-R396 IonicContact OE2-NH2 3.71Å; E221-R396 PolarHBondContact OE2-NH2 2.7Å; V394-R396 PolarHBondContact O-N 2.86Å; R396-E400 HydrophobicContact CB-CB 4.22Å; R396-E400 HydrophobicContact CG-CB 4.45Å | ||
| 397 | G | 73.6 | Confident | 68.9 | Low | 38 Ų | 38 | 65.1 Ų | 65.1 | 39% | 0.392 | 41% | 0.412 | S | S | . | . | trans | -66.4 | 164.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R395 L399 E400 S401 | R395-G397 PolarHBondContact O-N 3.04Å; G397-L399 PolarHBondContact O-N 3.46Å; G397-E400 PolarHBondContact O-N 3.1Å; G397-S401 PolarHBondContact O-N 3.42Å; G397-S401 PolarHBondContact O-OG 2.99Å | ||
| 398 | L | 82.8 | Confident | 71 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -50.8 | -28.1 | 179.2 | -176.1 | 60 | 0 | 0 | 0 | 113.9 | Y340 L365 S382 E400 T433 L435 | Y340-L398 HydrophobicContact CD2-CD2 3.86Å; Y340-L398 HydrophobicContact CE2-CD2 4.41Å; Y340-L398 HydrophobicContact CG-CD2 4.23Å; L365-L398 HydrophobicContact CD1-CB 3.84Å; L365-L398 HydrophobicContact CD1-CD2 4Å; L365-L398 HydrophobicContact CD1-CG 4.42Å; L365-L398 HydrophobicContact CD2-CD2 3.97Å; L365-L398 HydrophobicContact CD2-CG 4.41Å; S382-L398 VanDerWaalsContact CB-CD1 3.48Å; S382-L398 WeakPolarHBondContact OG-CD1 3.31Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-T433 HydrophobicContact CD1-CG2 3.61Å; L398-T433 HydrophobicContact CD2-CG2 3.68Å; L398-T433 HydrophobicContact CG-CG2 4.33Å; L398-L435 HydrophobicContact CD2-CD2 3.8Å; L398-L435 HydrophobicContact CG-CD2 4.04Å |
| 399 | L | 85.2 | Confident | 73.2 | Confident | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -66.8 | -30 | 176.1 | -55.7 | 173.8 | 0 | 0 | 0 | 113.9 | L215 I342 L363 L365 G397 | L215-L399 VanDerWaalsContact CD2-O 3.24Å; L215-L399 WeakPolarHBondContact CD2-O 3.49Å; I342-L399 HydrophobicContact CB-CD2 4.21Å; I342-L399 HydrophobicContact CD1-CD2 3.62Å; I342-L399 HydrophobicContact CG1-CD2 3.71Å; I342-L399 HydrophobicContact CG2-CD2 3.48Å; I342-L399 VanDerWaalsContact CG2-CD2 3.48Å; L363-L399 HydrophobicContact CB-CD1 4.08Å; L363-L399 VanDerWaalsContact O-CD1 3.29Å; L363-L399 WeakPolarHBondContact O-CD1 3.22Å; L365-L399 HydrophobicContact CD2-CD2 3.75Å; L365-L399 HydrophobicContact CG-CD2 4.16Å; G397-L399 PolarHBondContact O-N 3.46Å |
| 400 | E | 86.4 | Confident | 75.7 | Confident | 40 Ų | 40 | 50 Ų | 50 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -106.7 | 5.2 | -171.5 | -56.3 | 175.9 | 170 | 0 | 0 | 112.1 | Y198 K214 R396 G397 L398 | Y198-E400 VanDerWaalsContact CE1-O 3.23Å; Y198-E400 WeakPolarHBondContact CE1-O 3.38Å; K214-E400 WeakPolarHBondContact CE-OE1 3.11Å; K214-E400 IonicContact NZ-OE1 3.86Å; K214-E400 PolarHBondContact NZ-OE1 3.12Å; R396-E400 HydrophobicContact CB-CB 4.22Å; R396-E400 HydrophobicContact CG-CB 4.45Å; G397-E400 PolarHBondContact O-N 3.1Å; L398-E400 VanDerWaalsContact C-N 3.33Å |
| 401 | S | 91.1 | Very high | 78.3 | Confident | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -94.6 | 135.9 | -179.6 | -68.8 | 0 | 0 | 0 | 0 | 110.2 | A384 G397 | A384-S401 WeakPolarHBondContact CB-OG 3.43Å; G397-S401 PolarHBondContact O-N 3.42Å; G397-S401 PolarHBondContact O-OG 2.99Å |
| 402 | P | 95.1 | Very high | 81.3 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 165.9 | 174.3 | 31.1 | -35 | 0 | 0 | 0 | 110.6 | L196 V197 Y198 C383 | L196-P402 HydrophobicContact CD1-CB 3.7Å; L196-P402 HydrophobicContact CD1-CG 4.17Å; V197-P402 CarbonylContact O-C 3.54Å; V197-P402 WeakPolarHBondContact O-CA 3.29Å; V197-P402 WeakPolarHBondContact O-CB 3.18Å; Y198-P402 HydrophobicContact CE1-CB 4.31Å; C383-P402 WeakPolarHBondContact CB-O 3.37Å; C383-P402 PolarHBondContact N-O 2.98Å |
| 403 | V | 95.7 | Very high | 83.8 | Confident | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | V197 H199 V381 F406 | V197-V403 HydrophobicContact CB-CG2 3.94Å; V197-V403 HydrophobicContact CG1-CG2 3.86Å; V197-V403 PolarHBondContact O-N 3.29Å; H199-V403 HydrophobicContact CB-CG1 3.86Å; V381-V403 CarbonylContact O-C 3.5Å; V381-V403 WeakPolarHBondContact O-CA 3.13Å; V381-V403 WeakPolarHBondContact O-CB 3.45Å; V403-F406 HydrophobicContact CG2-CE1 4.16Å; V403-F406 HydrophobicContact CG2-CE2 4.11Å; V403-F406 HydrophobicContact CG2-CZ 3.58Å |
| 404 | C | 93.6 | Very high | 86.7 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -23.2 | -179.5 | -74 | 0 | 0 | 0 | 0 | 111.1 | V381 C383 | V381-C404 PolarHBondContact O-N 2.94Å; C383-C404 WeakPolarHBondContact CA-SG 3.47Å; C383-C404 WeakPolarHBondContact CB-SG 3.13Å; C383-C404 WeakPolarHBondContact SG-CA 3.35Å; C383-C404 WeakPolarHBondContact SG-CB 3.41Å; C383-C404 PolarHBondContact SG-N 3.1Å; C383-C404 CovalentContact SG-SG 2.07Å; C383-C404 PolarHBondContact SG-SG 2.67Å |
| 405 | G | 96.4 | Very high | 89.5 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -167 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y316 V381 | Y316-G405 VanDerWaalsContact OH-CA 3.22Å; Y316-G405 WeakPolarHBondContact OH-CA 3.26Å; V381-G405 PolarHBondContact N-O 3.25Å |
| 406 | F | 98 | Very high | 91.9 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.7 | -177.7 | -54.7 | -90.1 | 0 | 0 | 0 | 110.3 | S170 V171 T174 V197 Y316 V378 L379 S380 V403 P424 M437 | S170-F406 WeakPolarHBondContact OG-CE2 3.34Å; V171-F406 HydrophobicContact CG1-CD2 4.2Å; V171-F406 HydrophobicContact CG1-CG 4.42Å; V171-F406 HydrophobicContact CG2-CD1 3.54Å; V171-F406 HydrophobicContact CG2-CD2 3.72Å; V171-F406 HydrophobicContact CG2-CE1 3.48Å; V171-F406 VanDerWaalsContact CG2-CE1 3.48Å; V171-F406 HydrophobicContact CG2-CE2 3.7Å; V171-F406 HydrophobicContact CG2-CG 3.67Å; V171-F406 HydrophobicContact CG2-CZ 3.59Å; T174-F406 HydrophobicContact CG2-CE1 3.71Å; T174-F406 HydrophobicContact CG2-CE2 4.4Å; T174-F406 HydrophobicContact CG2-CZ 3.39Å; V197-F406 HydrophobicContact CG1-CE2 4.31Å; V197-F406 HydrophobicContact CG1-CZ 3.9Å; Y316-F406 HydrophobicContact CD1-CB 4.47Å; Y316-F406 HydrophobicContact CE1-CB 3.84Å; Y316-F406 HydrophobicContact CE1-CD2 4.26Å; Y316-F406 WeakPolarHBondContact CE1-O 3.4Å; Y316-F406 AromaticContact CE2-CD2 4Å; Y316-F406 HydrophobicContact CE2-CD2 4Å; Y316-F406 AromaticContact CZ-CD2 3.82Å; Y316-F406 PolarHBondContact OH-N 3.03Å; V378-F406 HydrophobicContact CG1-CB 4.11Å; V378-F406 HydrophobicContact CG1-CD1 4.21Å; L379-F406 CarbonylContact O-C 3.51Å; L379-F406 VanDerWaalsContact O-CA 3.3Å; L379-F406 WeakPolarHBondContact O-CA 3.33Å; S380-F406 WeakPolarHBondContact OG-CD1 3.48Å; S380-F406 VanDerWaalsContact OG-CE1 3.22Å; S380-F406 WeakPolarHBondContact OG-CE1 3.27Å; V403-F406 HydrophobicContact CG2-CE1 4.16Å; V403-F406 HydrophobicContact CG2-CE2 4.11Å; V403-F406 HydrophobicContact CG2-CZ 3.58Å; F406-P424 VanDerWaalsContact O-CD 3.27Å; F406-P424 WeakPolarHBondContact O-CD 3.48Å; F406-M437 HydrophobicContact CD1-SD 3.97Å; F406-M437 HydrophobicContact CE1-CE 4.23Å; F406-M437 HydrophobicContact CE1-SD 4.08Å |
| 407 | I | 98.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 158.7 | 171.5 | 63.1 | 178.4 | 0 | 0 | 0 | 108.8 | V378 L379 V381 V421 L422 L429 L434 | V378-I407 WeakPolarHBondContact CA-O 3.4Å; L379-I407 HydrophobicContact CB-CD1 4.42Å; L379-I407 HydrophobicContact CB-CG1 3.82Å; L379-I407 HydrophobicContact CD1-CD1 4.35Å; L379-I407 HydrophobicContact CD1-CG1 4.44Å; L379-I407 HydrophobicContact CG-CG1 4.47Å; L379-I407 PolarHBondContact N-O 2.83Å; L379-I407 PolarHBondContact O-N 2.73Å; V381-I407 HydrophobicContact CG2-CD1 4.47Å; V381-I407 HydrophobicContact CG2-CG1 4.37Å; V381-I407 HydrophobicContact CG2-CG2 4.03Å; I407-V421 HydrophobicContact CD1-CB 4.37Å; I407-V421 HydrophobicContact CD1-CG1 4.16Å; I407-L422 VanDerWaalsContact CA-O 3.27Å; I407-L422 WeakPolarHBondContact CA-O 3.44Å; I407-L422 WeakPolarHBondContact CB-O 3.48Å; I407-L429 HydrophobicContact CD1-CD1 4.13Å; I407-L429 HydrophobicContact CD1-CD2 4.12Å; I407-L429 HydrophobicContact CG2-CD2 4.01Å; I407-L434 HydrophobicContact CD1-CD1 4.05Å; I407-L434 HydrophobicContact CD1-CD2 4.25Å |
| 408 | V | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.8 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 109 | F317 V378 T410 V421 L422 F441 | F317-V408 HydrophobicContact CE2-CG2 3.59Å; F317-V408 HydrophobicContact CZ-CB 4.45Å; F317-V408 HydrophobicContact CZ-CG2 3.7Å; V378-V408 HydrophobicContact CG2-CG2 4.08Å; V408-T410 PolarHBondContact O-N 3.39Å; V408-V421 CarbonylContact O-C 3.59Å; V408-V421 VanDerWaalsContact O-CA 3.27Å; V408-V421 WeakPolarHBondContact O-CA 3.48Å; V408-L422 HydrophobicContact CB-CB 4.29Å; V408-L422 PolarHBondContact N-O 3Å; V408-L422 PolarHBondContact O-N 2.67Å; V408-F441 HydrophobicContact CG1-CB 4.43Å; V408-F441 HydrophobicContact CG1-CD1 4.34Å; V408-F441 HydrophobicContact CG2-CB 4.19Å; V408-F441 HydrophobicContact CG2-CD1 4.1Å |
| 409 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.7 | 171.7 | -180 | 0 | 0 | 0 | 0 | 108.2 | L374 H376 H377 L379 V412 M419 V421 | L374-V409 HydrophobicContact CB-CG1 4.37Å; L374-V409 WeakPolarHBondContact O-CB 3.27Å; H376-V409 WeakPolarHBondContact CA-O 3.5Å; H376-V409 PolarHBondContact N-O 2.79Å; H377-V409 PolarHBondContact O-N 3.23Å; H377-V409 VanDerWaalsContact O-N 3.1Å; L379-V409 HydrophobicContact CD1-CG2 3.58Å; L379-V409 HydrophobicContact CG-CG2 4.03Å; V409-V412 HydrophobicContact CG1-CG2 3.54Å; V409-M419 HydrophobicContact CG1-CB 4.18Å; V409-M419 HydrophobicContact CG2-SD 4.06Å; V409-V421 HydrophobicContact CG2-CG1 4.48Å |
| 410 | T | 97.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 26% | 0.264 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -28.5 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | V408 T420 L422 | V408-T410 PolarHBondContact O-N 3.39Å; T410-T420 PolarHBondContact N-O 2.81Å; T410-T420 PolarHBondContact OG1-O 2.73Å; T410-L422 HydrophobicContact CG2-CB 3.98Å |
| 411 | N | 97.2 | Very high | 96.7 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 154.7 | 177.7 | -171.5 | 26.6 | 0 | 0 | 0 | 111.2 | M419 T420 | N411-M419 CarbonylContact O-C 3.57Å; N411-M419 WeakPolarHBondContact O-CA 3.47Å; N411-T420 PolarHBondContact N-O 3.23Å; N411-T420 PolarHBondContact O-N 3.36Å |
| 412 | V | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.5 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 110 | F334 L374 V409 T414 M419 | F334-V412 HydrophobicContact CE1-CG1 4.02Å; F334-V412 HydrophobicContact CZ-CG1 3.59Å; L374-V412 HydrophobicContact CB-CG2 4.17Å; V409-V412 HydrophobicContact CG1-CG2 3.54Å; V412-T414 HydrophobicContact CG1-CG2 4.31Å; V412-M419 HydrophobicContact CG2-CB 4.35Å |
| 413 | D | 97.6 | Very high | 97.1 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 102.7 | 172.2 | -171.4 | -23.7 | 0 | 0 | 0 | 110.1 | Q415 A416 Q417 V418 | D413-Q415 VanDerWaalsContact C-N 3.32Å; D413-Q415 PolarHBondContact O-N 2.98Å; D413-Q415 WeakPolarHBondContact OD1-CA 3.29Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.44Å; D413-Q415 PolarHBondContact OD1-N 2.66Å; D413-A416 HydrophobicContact CB-CB 4.19Å; D413-A416 PolarHBondContact OD1-N 2.76Å; D413-Q417 WeakPolarHBondContact O-CA 3.35Å; D413-Q417 PolarHBondContact O-N 2.93Å; D413-V418 HydrophobicContact CB-CG2 3.95Å; D413-V418 PolarHBondContact N-O 3.19Å; D413-V418 PolarHBondContact O-N 3.32Å; D413-V418 VanDerWaalsContact O-N 3.07Å |
| 414 | T | 96.3 | Very high | 97.1 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -21.3 | 179 | 54 | 0 | 0 | 0 | 0 | 113.4 | R372 V412 Q417 | R372-T414 HydrophobicContact CG-CG2 4.15Å; V412-T414 HydrophobicContact CG1-CG2 4.31Å; T414-Q417 PolarHBondContact O-NE2 3.2Å |
| 415 | Q | 96.3 | Very high | 97.2 | Very high | 179 Ų | 179 | 37.4 Ų | 37.4 | 84% | 0.836 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -45.9 | 177.1 | -66.7 | -176.4 | -6.6 | 0 | 0 | 110.2 | D413 Q417 | D413-Q415 VanDerWaalsContact C-N 3.32Å; D413-Q415 PolarHBondContact O-N 2.98Å; D413-Q415 WeakPolarHBondContact OD1-CA 3.29Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.44Å; D413-Q415 PolarHBondContact OD1-N 2.66Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å; Q415-Q417 PolarHBondContact O-N 2.83Å |
| 416 | A | 96.9 | Very high | 97 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 49% | 0.488 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -8.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D413 V418 | D413-A416 HydrophobicContact CB-CB 4.19Å; D413-A416 PolarHBondContact OD1-N 2.76Å; A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 HydrophobicContact CB-CG2 3.88Å; A416-V418 PolarHBondContact O-N 3.43Å |
| 417 | Q | 97.6 | Very high | 96.8 | Very high | 104 Ų | 104 | 49.8 Ų | 49.8 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 41.7 | -177.9 | -63.2 | -78.1 | -68.5 | 0 | 0 | 112.6 | F334 D413 T414 Q415 | F334-Q417 HydrophobicContact CD2-CB 3.89Å; F334-Q417 HydrophobicContact CD2-CG 4.37Å; F334-Q417 HydrophobicContact CE2-CB 4.29Å; F334-Q417 HydrophobicContact CG-CB 4.37Å; F334-Q417 WeakPolarHBondContact CG-O 3.42Å; F334-Q417 PolarHBondContact N-O 2.78Å; D413-Q417 WeakPolarHBondContact O-CA 3.35Å; D413-Q417 PolarHBondContact O-N 2.93Å; T414-Q417 PolarHBondContact O-NE2 3.2Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å; Q415-Q417 PolarHBondContact O-N 2.83Å |
| 418 | V | 97.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.3 | 179.2 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | D331 V332 R333 F334 D413 A416 | D331-V418 HydrophobicContact CB-CB 4.38Å; V332-V418 CarbonylContact O-C 3.58Å; V332-V418 WeakPolarHBondContact O-CA 3.34Å; R333-V418 HydrophobicContact CG-CG1 4.02Å; F334-V418 WeakPolarHBondContact CE1-O 3.43Å; D413-V418 HydrophobicContact CB-CG2 3.95Å; D413-V418 PolarHBondContact N-O 3.19Å; D413-V418 PolarHBondContact O-N 3.32Å; D413-V418 VanDerWaalsContact O-N 3.07Å; A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 HydrophobicContact CB-CG2 3.88Å; A416-V418 PolarHBondContact O-N 3.43Å |
| 419 | M | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.4 | 166.7 | 58.2 | -178.2 | -172.6 | 0 | 0 | 109.7 | D331 V332 F334 V337 I339 V409 N411 V412 V421 L434 | D331-M419 CarbonylContact C-O 3.56Å; D331-M419 WeakPolarHBondContact CA-O 3.37Å; V332-M419 HydrophobicContact CB-CE 4.05Å; V332-M419 HydrophobicContact CB-CG 4.17Å; V332-M419 HydrophobicContact CG1-CE 3.88Å; V332-M419 PolarHBondContact N-O 2.72Å; V332-M419 PolarHBondContact O-N 2.86Å; F334-M419 HydrophobicContact CE1-CB 4.04Å; F334-M419 HydrophobicContact CE1-CG 4.44Å; V337-M419 HydrophobicContact CG1-CE 4.48Å; V337-M419 HydrophobicContact CG2-CE 3.7Å; I339-M419 HydrophobicContact CD1-SD 4.35Å; V409-M419 HydrophobicContact CG1-CB 4.18Å; V409-M419 HydrophobicContact CG2-SD 4.06Å; N411-M419 CarbonylContact O-C 3.57Å; N411-M419 WeakPolarHBondContact O-CA 3.47Å; V412-M419 HydrophobicContact CG2-CB 4.35Å; M419-V421 HydrophobicContact CE-CG1 4.13Å; M419-V421 HydrophobicContact CG-CG1 4.07Å; M419-V421 HydrophobicContact SD-CG1 4.3Å; M419-L434 HydrophobicContact CE-CD1 3.97Å |
| 420 | T | 97.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.8 | 170.2 | -48.9 | 0 | 0 | 0 | 0 | 108.2 | D331 T410 N411 | D331-T420 WeakPolarHBondContact OD1-CB 3.49Å; D331-T420 PolarHBondContact OD1-OG1 3.46Å; T410-T420 PolarHBondContact N-O 2.81Å; T410-T420 PolarHBondContact OG1-O 2.73Å; N411-T420 PolarHBondContact N-O 3.23Å; N411-T420 PolarHBondContact O-N 3.36Å |
| 421 | V | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.6 | -178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | A329 F330 V332 I407 V408 V409 M419 | A329-V421 VanDerWaalsContact CA-O 3.31Å; A329-V421 WeakPolarHBondContact CA-O 3.47Å; F330-V421 HydrophobicContact CD2-CG2 4.17Å; F330-V421 HydrophobicContact CE2-CG2 3.87Å; F330-V421 HydrophobicContact CZ-CG2 4.09Å; F330-V421 PolarHBondContact N-O 3.06Å; F330-V421 PolarHBondContact O-N 2.97Å; V332-V421 HydrophobicContact CG2-CG1 4.26Å; V332-V421 HydrophobicContact CG2-CG2 3.75Å; I407-V421 HydrophobicContact CD1-CB 4.37Å; I407-V421 HydrophobicContact CD1-CG1 4.16Å; V408-V421 CarbonylContact O-C 3.59Å; V408-V421 VanDerWaalsContact O-CA 3.27Å; V408-V421 WeakPolarHBondContact O-CA 3.48Å; V409-V421 HydrophobicContact CG2-CG1 4.48Å; M419-V421 HydrophobicContact CE-CG1 4.13Å; M419-V421 HydrophobicContact CG-CG1 4.07Å; M419-V421 HydrophobicContact SD-CG1 4.3Å |
| 422 | L | 97.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.1 | 162 | -174.8 | 71.1 | 0 | 0 | 0 | 108.3 | F317 Y318 P327 H328 I407 V408 T410 | F317-L422 HydrophobicContact CB-CD2 4.27Å; F317-L422 HydrophobicContact CD1-CD2 3.96Å; F317-L422 HydrophobicContact CD1-CG 3.95Å; F317-L422 HydrophobicContact CD2-CD2 4.2Å; F317-L422 HydrophobicContact CE1-CD2 4.36Å; F317-L422 HydrophobicContact CE1-CG 4.2Å; F317-L422 WeakPolarHBondContact CE1-O 3.35Å; F317-L422 HydrophobicContact CG-CD2 3.89Å; F317-L422 HydrophobicContact CG-CG 4.38Å; Y318-L422 HydrophobicContact CE2-CD2 4.37Å; P327-L422 HydrophobicContact CB-CD1 3.72Å; P327-L422 HydrophobicContact CB-CG 4.16Å; P327-L422 HydrophobicContact CG-CD1 3.84Å; H328-L422 CarbonylContact O-C 3.59Å; H328-L422 WeakPolarHBondContact O-CA 3.45Å; I407-L422 VanDerWaalsContact CA-O 3.27Å; I407-L422 WeakPolarHBondContact CA-O 3.44Å; I407-L422 WeakPolarHBondContact CB-O 3.48Å; V408-L422 HydrophobicContact CB-CB 4.29Å; V408-L422 PolarHBondContact N-O 3Å; V408-L422 PolarHBondContact O-N 2.67Å; T410-L422 HydrophobicContact CG2-CB 3.98Å |
| 423 | S | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.8 | -175.1 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | P327 H328 A425 | P327-S423 CarbonylContact C-O 3.39Å; P327-S423 WeakPolarHBondContact CA-O 3.27Å; P327-S423 WeakPolarHBondContact CB-O 3.38Å; H328-S423 PolarHBondContact N-O 3.31Å; H328-S423 PolarHBondContact O-N 3.09Å; S423-A425 VanDerWaalsContact CB-O 3.27Å; S423-A425 WeakPolarHBondContact CB-O 3.45Å; S423-A425 PolarHBondContact O-N 3.34Å; S423-A425 PolarHBondContact OG-N 2.83Å; S423-A425 PolarHBondContact OG-O 2.93Å |
| 424 | P | 95.4 | Very high | 95.2 | Very high | 57 Ų | 57 | 57 Ų | 57 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68.4 | -17.2 | 173.6 | 31.7 | -37.6 | 0 | 0 | 0 | 112.7 | Y316 F406 | Y316-P424 HydrophobicContact CE1-CB 4.36Å; Y316-P424 HydrophobicContact CE1-CG 4Å; F406-P424 VanDerWaalsContact O-CD 3.27Å; F406-P424 WeakPolarHBondContact O-CD 3.48Å |
| 425 | A | 94.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -121.6 | 150.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | H328 S423 | H328-A425 VanDerWaalsContact CD2-C 3.41Å; S423-A425 VanDerWaalsContact CB-O 3.27Å; S423-A425 WeakPolarHBondContact CB-O 3.45Å; S423-A425 PolarHBondContact O-N 3.34Å; S423-A425 PolarHBondContact OG-N 2.83Å; S423-A425 PolarHBondContact OG-O 2.93Å |
| 426 | P | 94.3 | Very high | 95.3 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 166.3 | 177.1 | 29.8 | -35.6 | 0 | 0 | 0 | 111.4 | H328 | H328-P426 VanDerWaalsContact CD2-N 3.26Š|
| 427 | R | 92.4 | Very high | 95.3 | Very high | 197 Ų | 197 | 44.3 Ų | 44.3 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -59.8 | 150.7 | 173.8 | 67.8 | 179.6 | -129.6 | -153.9 | 1.2 | 112 | F330 | F330-R427 HydrophobicContact CD1-CB 4.17Å; F330-R427 HydrophobicContact CD2-CB 3.86Å; F330-R427 HydrophobicContact CE1-CB 4.16Å; F330-R427 HydrophobicContact CE2-CB 3.85Å; F330-R427 HydrophobicContact CG-CB 4.02Å; F330-R427 HydrophobicContact CZ-CB 4.01Å |
| 428 | P | 92.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 43.3 Ų | 43.3 | 70% | 0.695 | 23% | 0.234 | S | C | * | . | S | Bend | cis | -76 | 165.5 | -4.5 | 33.3 | -35.5 | 0 | 0 | 0 | 112.5 | ||
| 429 | L | 92.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 142.8 | 168 | -69.8 | 177.9 | 0 | 0 | 0 | 109.7 | F330 V332 V337 I407 R431 | F330-L429 HydrophobicContact CE2-CD2 4.28Å; F330-L429 HydrophobicContact CE2-CG 4.32Å; F330-L429 HydrophobicContact CZ-CD2 3.98Å; F330-L429 HydrophobicContact CZ-CG 4.43Å; V332-L429 HydrophobicContact CG1-CD1 4.13Å; V332-L429 HydrophobicContact CG2-CD1 4.03Å; V332-L429 HydrophobicContact CG2-CG 4.31Å; V337-L429 HydrophobicContact CG1-CD1 3.98Å; I407-L429 HydrophobicContact CD1-CD1 4.13Å; I407-L429 HydrophobicContact CD1-CD2 4.12Å; I407-L429 HydrophobicContact CG2-CD2 4.01Å; L429-R431 PolarHBondContact O-N 3Å |
| 430 | P | 90 | Very high | 95.1 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 56% | 0.558 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -68.4 | -24.5 | -176 | 26.3 | -33.5 | 0 | 0 | 0 | 112.7 | V381 | V381-P430 HydrophobicContact CG1-CG 4.04Š|
| 431 | R | 92.7 | Very high | 95 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | trans | -146.2 | 161.5 | 178.4 | -63.7 | -67.4 | -172.7 | 152.2 | 4.1 | 110.4 | V381 S382 D385 E388 L429 | V381-R431 HydrophobicContact CG1-CB 3.79Å; S382-R431 VanDerWaalsContact O-CB 3.25Å; S382-R431 WeakPolarHBondContact O-CB 3.3Å; S382-R431 VanDerWaalsContact O-CG 3.26Å; S382-R431 WeakPolarHBondContact O-CG 3.31Å; D385-R431 WeakPolarHBondContact OD2-CD 3.27Å; D385-R431 IonicContact OD2-CZ 2.73Å; D385-R431 IonicContact OD2-NE 3.7Å; D385-R431 IonicContact OD2-NH1 3.31Å; D385-R431 PolarHBondContact OD2-NH1 3.15Å; E388-R431 IonicContact OE1-NH1 2.72Å; E388-R431 PolarHBondContact OE1-NH1 2.94Å; E388-R431 IonicContact OE2-CZ 3.9Å; E388-R431 IonicContact OE2-NH1 2.96Å; E388-R431 PolarHBondContact OE2-NH1 3.37Å; L429-R431 PolarHBondContact O-N 3Å | ||
| 432 | H | 92.1 | Very high | 94.8 | Very high | 88 Ų | 88 | 52.7 Ų | 52.7 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -104.6 | -10.6 | -173 | -61.2 | -75 | 0 | 0 | 0 | 113.5 | D336 V337 R338 | D336-H432 PolarHBondContact O-ND1 2.92Å; V337-H432 CarbonylContact C-O 3.55Å; V337-H432 VanDerWaalsContact CA-O 3.26Å; V337-H432 WeakPolarHBondContact CA-O 3.42Å; R338-H432 PolarHBondContact N-O 3.12Å |
| 433 | T | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.3 | 179.7 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | Y340 S382 D385 L398 | Y340-T433 HydrophobicContact CD2-CG2 4.08Å; Y340-T433 HydrophobicContact CE2-CG2 4.02Å; S382-T433 WeakPolarHBondContact CB-O 3.37Å; S382-T433 PolarHBondContact N-O 3.2Å; D385-T433 PolarHBondContact OD1-OG1 3.24Å; L398-T433 HydrophobicContact CD1-CG2 3.61Å; L398-T433 HydrophobicContact CD2-CG2 3.68Å; L398-T433 HydrophobicContact CG-CG2 4.33Å |
| 434 | L | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143 | -174.4 | -54.8 | -179.2 | 0 | 0 | 0 | 111.4 | V337 R338 I339 Y340 L379 S380 V381 I407 M419 | V337-L434 HydrophobicContact CB-CD1 3.98Å; V337-L434 HydrophobicContact CB-CG 4.41Å; V337-L434 HydrophobicContact CG1-CD1 4Å; V337-L434 HydrophobicContact CG2-CD1 4.24Å; R338-L434 PolarHBondContact O-N 2.87Å; I339-L434 CarbonylContact C-O 3.59Å; I339-L434 WeakPolarHBondContact CA-O 3.39Å; I339-L434 HydrophobicContact CG1-CB 4.22Å; I339-L434 HydrophobicContact CG1-CD1 4.28Å; Y340-L434 PolarHBondContact N-O 3.34Å; L379-L434 HydrophobicContact CD1-CD1 3.85Å; S380-L434 CarbonylContact O-C 3.54Å; S380-L434 WeakPolarHBondContact O-CA 3.15Å; V381-L434 HydrophobicContact CB-CD2 4.19Å; V381-L434 HydrophobicContact CG1-CD2 4.19Å; V381-L434 HydrophobicContact CG2-CD2 3.82Å; I407-L434 HydrophobicContact CD1-CD1 4.05Å; I407-L434 HydrophobicContact CD1-CD2 4.25Å; M419-L434 HydrophobicContact CE-CD1 3.97Å |
| 435 | L | 97 | Very high | 90.7 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.1 | 175.3 | -61.5 | 174.1 | 0 | 0 | 0 | 110 | H199 Y340 I342 L379 S380 L398 | H199-L435 HydrophobicContact CB-CD1 3.64Å; Y340-L435 WeakPolarHBondContact O-CA 3.32Å; I342-L435 HydrophobicContact CD1-CD1 4.4Å; I342-L435 HydrophobicContact CG1-CD2 4.38Å; L379-L435 CarbonylContact C-O 3.57Å; L379-L435 WeakPolarHBondContact CA-O 3.38Å; S380-L435 PolarHBondContact N-O 3.43Å; S380-L435 PolarHBondContact O-N 3.07Å; L398-L435 HydrophobicContact CD2-CD2 3.8Å; L398-L435 HydrophobicContact CG-CD2 4.04Å |
| 436 | I | 97.2 | Very high | 90.5 | Very high | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.7 | 178.8 | -168.7 | 176.6 | 0 | 0 | 0 | 111 | H199 I339 Y340 K341 V368 L374 H377 L379 | H199-I436 PolarHBondContact CE1-O 2.96Å; I339-I436 HydrophobicContact CG2-CB 4.2Å; Y340-I436 PolarHBondContact O-N 3.01Å; K341-I436 HydrophobicContact CB-CG2 3.65Å; K341-I436 HydrophobicContact CD-CG2 4.32Å; K341-I436 HydrophobicContact CG-CG2 3.99Å; V368-I436 HydrophobicContact CG2-CG2 4.12Å; L374-I436 HydrophobicContact CD2-CD1 3.5Å; L374-I436 HydrophobicContact CD2-CG1 4.43Å; H377-I436 HydrophobicContact CB-CD1 4.36Å; H377-I436 HydrophobicContact CB-CG1 4.15Å; L379-I436 HydrophobicContact CD2-CB 3.85Å; L379-I436 HydrophobicContact CD2-CG1 3.76Å |
| 437 | M | 97.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 149.6 | 171.2 | -51.9 | -177 | 90.4 | 0 | 0 | 109.8 | V171 P172 G173 T174 G201 H377 V378 F406 I439 | V171-M437 HydrophobicContact CG2-CE 4.46Å; P172-M437 WeakPolarHBondContact O-CE 3.38Å; G173-M437 VanDerWaalsContact O-CE 3.28Å; G173-M437 WeakPolarHBondContact O-CE 3.41Å; T174-M437 HydrophobicContact CG2-CE 4.1Å; G201-M437 CarbonylContact O-C 3.5Å; G201-M437 WeakPolarHBondContact O-CA 3.35Å; H377-M437 PolarHBondContact CE1-O 2.85Å; H377-M437 PolarHBondContact ND1-O 2.77Å; V378-M437 HydrophobicContact CB-CB 4.39Å; V378-M437 HydrophobicContact CB-CG 4.4Å; V378-M437 HydrophobicContact CB-SD 3.87Å; V378-M437 HydrophobicContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact O-CB 3.31Å; V378-M437 WeakPolarHBondContact O-CB 3.43Å; V378-M437 WeakPolarHBondContact O-CG 3.38Å; V378-M437 PolarHBondContact O-N 2.81Å; F406-M437 HydrophobicContact CD1-SD 3.97Å; F406-M437 HydrophobicContact CE1-CE 4.23Å; F406-M437 HydrophobicContact CE1-SD 4.08Å; M437-I439 HydrophobicContact CB-CB 4.15Å; M437-I439 HydrophobicContact CE-CD1 4.11Å; M437-I439 PolarHBondContact O-N 2.67Å; M437-I439 VanDerWaalsContact O-N 3.11Å |
| 438 | D | 95.5 | Very high | 90.2 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 5.4 | 167.9 | -68.9 | -27.8 | 0 | 0 | 0 | 112.2 | G201 K341 | G201-D438 PolarHBondContact O-N 2.99Å; K341-D438 IonicContact NZ-OD1 2.76Å; K341-D438 PolarHBondContact NZ-OD1 2.86Å; K341-D438 IonicContact NZ-OD2 4Å |
| 439 | I | 96.5 | Very high | 90 | Very high | 16 Ų | 16 | 62.3 Ų | 62.3 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.3 | -179.6 | -64.4 | 161.3 | 0 | 0 | 0 | 109.4 | P172 T203 I313 V378 M437 | P172-I439 HydrophobicContact CB-CD1 4.03Å; P172-I439 WeakPolarHBondContact O-CD1 3.48Å; T203-I439 HydrophobicContact CG2-CD1 3.87Å; T203-I439 HydrophobicContact CG2-CG1 3.84Å; I313-I439 HydrophobicContact CD1-CG2 3.72Å; V378-I439 HydrophobicContact CG2-CB 4.49Å; V378-I439 HydrophobicContact CG2-CG2 3.99Å; V378-I439 PolarHBondContact N-O 3.47Å; M437-I439 HydrophobicContact CB-CB 4.15Å; M437-I439 HydrophobicContact CE-CD1 4.11Å; M437-I439 PolarHBondContact O-N 2.67Å; M437-I439 VanDerWaalsContact O-N 3.11Å |
| 440 | R | 95.9 | Very high | 89.9 | Confident | 141 Ų | 141 | 65.4 Ų | 65.4 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.2 | 177.2 | -64.6 | -177.2 | 177.2 | -172.4 | -4.8 | 111.1 | H376 H377 | H376-R440 HydrophobicContact CB-CB 4.37Å; H376-R440 CarbonylContact O-C 3.5Å; H376-R440 WeakPolarHBondContact O-CA 3.41Å; H376-R440 WeakPolarHBondContact O-CB 3.46Å; H377-R440 PolarHBondContact NE2-NE 2.72Å; H377-R440 PolarHBondContact NE2-NH2 3.11Å |
| 441 | F | 95.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | trans | -135.3 | 126.6 | 175.6 | 179.3 | -104 | 0 | 0 | 0 | 109.7 | I313 R314 H376 V378 V408 D443 | I313-F441 HydrophobicContact CB-CD2 3.85Å; I313-F441 HydrophobicContact CB-CE2 4.2Å; I313-F441 HydrophobicContact CB-CG 4.32Å; I313-F441 HydrophobicContact CD1-CB 4.29Å; I313-F441 HydrophobicContact CD1-CD2 4.39Å; I313-F441 HydrophobicContact CG2-CB 3.89Å; I313-F441 HydrophobicContact CG2-CD1 4.01Å; I313-F441 HydrophobicContact CG2-CD2 3.57Å; I313-F441 HydrophobicContact CG2-CE1 4.44Å; I313-F441 HydrophobicContact CG2-CE2 4.05Å; I313-F441 HydrophobicContact CG2-CG 3.54Å; I313-F441 HydrophobicContact CG2-CZ 4.46Å; R314-F441 HydrophobicContact CB-CE2 4.2Å; R314-F441 HydrophobicContact CB-CZ 4.15Å; R314-F441 HydrophobicContact CG-CZ 4.48Å; H376-F441 WeakPolarHBondContact CB-O 3.46Å; H376-F441 PolarHBondContact O-N 3.47Å; V378-F441 HydrophobicContact CG2-CB 4.17Å; V408-F441 HydrophobicContact CG1-CB 4.43Å; V408-F441 HydrophobicContact CG1-CD1 4.34Å; V408-F441 HydrophobicContact CG2-CB 4.19Å; V408-F441 HydrophobicContact CG2-CD1 4.1Å; F441-D443 HydrophobicContact CE1-CB 4Å | ||
| 442 | I | 93 | Very high | 89.7 | Confident | 94 Ų | 94 | 63.5 Ų | 63.5 | 48% | 0.482 | 30% | 0.297 | S | S | . | . | trans | -106.2 | 116.1 | 174 | -58 | 176.9 | 0 | 0 | 0 | 106.9 | H376 L444 | H376-I442 HydrophobicContact CB-CG1 4.22Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 HydrophobicContact CG2-CD2 3.9Å; I442-L444 HydrophobicContact CG2-CG 4.13Å; I442-L444 PolarHBondContact O-N 2.94Å | ||
| 443 | D | 81.6 | Confident | 89.5 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | trans | -75.2 | 88.3 | 174.2 | -171.3 | 43 | 0 | 0 | 0 | 109.3 | Y318 F441 K445 | Y318-D443 WeakPolarHBondContact CE2-OD1 3.27Å; Y318-D443 PolarHBondContact OH-OD1 2.83Å; Y318-D443 PolarHBondContact OH-OD2 3.5Å; F441-D443 HydrophobicContact CE1-CB 4Å; D443-K445 PolarHBondContact O-N 2.96Å | ||
| 444 | L | 71 | Confident | 89 | Confident | 141 Ų | 141 | 66.8 Ų | 66.8 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | trans | -79 | 105.6 | 171.3 | -63.8 | 173.7 | 0 | 0 | 0 | 107.5 | I442 | I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 HydrophobicContact CG2-CD2 3.9Å; I442-L444 HydrophobicContact CG2-CG 4.13Å; I442-L444 PolarHBondContact O-N 2.94Å | ||
| 445 | K | 50.9 | Low | 88.3 | Confident | 260 Ų | 260 | 72.8 Ų | 72.8 | 100% | 1.13 | 34% | 0.341 | S | S | * | . | trans | -65.3 | 0 | 174.4 | -78.8 | -173.2 | 176.1 | 179.5 | 0 | 112.8 | D443 | D443-K445 PolarHBondContact O-N 2.96Š|
Retrieved 445 of 445 residues in 2690.4 ms
(Link to these results)