| 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 | 44.6 | Very low | 34 | Very low | 237 Ų | 237 | 125.8 Ų | 125.8 | 100% | 1.167 | 75% | 0.745 | S | S | * | * | 0 | 93.9 | 0 | -75.4 | 165.1 | 59.7 | 0 | 0 | 106.9 | |||||
| 2 | S | 37.8 | Very low | 33.6 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | -152.5 | 51.4 | 68.3 | -163.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 3 | L | 31.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -103.1 | 2 | 170.4 | -106.7 | 99.9 | 0 | 0 | 0 | 113.1 | ||
| 4 | A | 33.4 | Very low | 32.8 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -98.6 | 1.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 5 | V | 38 | Very low | 32.6 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -111.5 | -16.8 | -174.7 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 6 | S | 33.7 | Very low | 32.2 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -92.3 | -7.1 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 7 | L | 30.4 | Very low | 31.7 | Very low | 138 Ų | 138 | 116.4 Ų | 116.4 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -90.6 | -8.4 | 177.8 | -100.7 | 144.2 | 0 | 0 | 0 | 114 | ||
| 8 | L | 32.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -92.9 | -11.9 | 177.6 | -111.9 | 97.6 | 0 | 0 | 0 | 114.7 | ||
| 9 | L | 31.5 | Very low | 31 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 71% | 0.707 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -101.8 | -6.8 | -177 | -97.4 | 143.3 | 0 | 0 | 0 | 114.6 | ||
| 10 | V | 30.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -100.3 | -13.5 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 11 | A | 30.1 | Very low | 30.6 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -6.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 12 | L | 28.6 | Very low | 29.7 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 5.1 | -177 | -85.6 | 158.1 | 0 | 0 | 0 | 114.5 | ||
| 13 | C | 28.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -128.6 | 15.3 | 178.1 | -66.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 14 | A | 28.2 | Very low | 29.3 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -120.4 | 31.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 15 | G | 28.6 | Very low | 29.5 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -133.7 | 21.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 16 | A | 27.2 | Very low | 29.9 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | -101.6 | 57.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 17 | G | 23.9 | Very low | 30.8 | Very low | 60 Ų | 60 | 125.8 Ų | 125.8 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -104.7 | 122.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 18 | Y | 27 | Very low | 32.7 | Very low | 231 Ų | 231 | 122.3 Ų | 122.3 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | 31.8 | 91.1 | 162.5 | -67.7 | -88.3 | 0 | 0 | 0 | 115.9 | E20 | Y18-E20 PolarHBondContact O-N 3.19Š| ||
| 19 | G | 22.3 | Very low | 35.3 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | -63.2 | 91 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | E21 | G19-E21 PolarHBondContact O-N 2.86Š| ||
| 20 | E | 26.7 | Very low | 38.3 | Very low | 182 Ų | 182 | 110.4 Ų | 110.4 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | trans | -57.8 | 110.1 | 148.5 | -73.2 | -177.2 | 155.4 | 0 | 0 | 105.8 | Y18 G22 | Y18-E20 PolarHBondContact O-N 3.19Å; E20-G22 PolarHBondContact O-N 2.85Å | ||
| 21 | E | 26.9 | Very low | 41.4 | Very low | 188 Ų | 188 | 105 Ų | 105 | 88% | 0.879 | 66% | 0.656 | S | S | * | * | trans | -60.2 | 89.8 | 158.8 | -81.1 | -178.5 | 158 | 0 | 0 | 106.3 | G19 T23 | G19-E21 PolarHBondContact O-N 2.86Å; E21-T23 PolarHBondContact O-N 3.32Å | ||
| 22 | G | 25.8 | Very low | 44.6 | Very low | 56 Ų | 56 | 101 Ų | 101 | 58% | 0.577 | 62% | 0.624 | S | S | * | * | trans | -55 | 125.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | E20 Q24 | E20-G22 PolarHBondContact O-N 2.85Å; G22-Q24 PolarHBondContact O-N 3.14Å | ||
| 23 | T | 30.3 | Very low | 48 | Very low | 140 Ų | 140 | 94.4 Ų | 94.4 | 86% | 0.859 | 59% | 0.589 | S | S | * | * | trans | -38.1 | 109.3 | 148.9 | 17.5 | 0 | 0 | 0 | 0 | 107.5 | E21 A25 | E21-T23 PolarHBondContact O-N 3.32Å; T23-A25 VanDerWaalsContact C-N 3.26Å; T23-A25 PolarHBondContact O-N 2.77Å | ||
| 24 | Q | 31 | Very low | 51.3 | Low | 192 Ų | 192 | 89 Ų | 89 | 90% | 0.897 | 55% | 0.552 | S | S | * | * | trans | -55.4 | 102.9 | 162.8 | -89.2 | -178.6 | -9.8 | 0 | 0 | 105.5 | G22 Q26 | G22-Q24 PolarHBondContact O-N 3.14Å; Q24-Q26 PolarHBondContact O-N 3.15Å | ||
| 25 | A | 36.7 | Very low | 54.7 | Low | 92 Ų | 92 | 84.4 Ų | 84.4 | 76% | 0.76 | 51% | 0.514 | S | S | * | . | trans | -56.7 | 106.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | T23 K27 | T23-A25 VanDerWaalsContact C-N 3.26Å; T23-A25 PolarHBondContact O-N 2.77Å; A25-K27 PolarHBondContact O-N 2.96Å | ||
| 26 | Q | 47.7 | Very low | 58 | Low | 89 Ų | 89 | 81 Ų | 81 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | trans | -54.5 | 112 | 179.1 | -152.6 | 167.4 | 8.2 | 0 | 0 | 105.9 | Q24 A28 | Q24-Q26 PolarHBondContact O-N 3.15Å; Q26-A28 PolarHBondContact O-N 3.43Å | ||
| 27 | K | 52.9 | Low | 61.3 | Low | 193 Ų | 193 | 76.5 Ų | 76.5 | 84% | 0.839 | 44% | 0.442 | S | S | * | . | trans | -53.2 | 129.2 | 177.5 | -92 | -178.8 | 174.5 | 178.1 | 0 | 107.5 | A25 G29 | A25-K27 PolarHBondContact O-N 2.96Å; K27-G29 PolarHBondContact O-N 2.91Å; K27-G29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | A | 69.7 | Low | 64.7 | Low | 65 Ų | 65 | 73.6 Ų | 73.6 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | trans | -50.7 | 122.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q26 | Q26-A28 PolarHBondContact O-N 3.43Š| ||
| 29 | G | 87.4 | Confident | 68.1 | Low | 10 Ų | 10 | 64.2 Ų | 64.2 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | trans | -156.5 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K27 N63 T64 | K27-G29 PolarHBondContact O-N 2.91Å; K27-G29 VanDerWaalsContact O-N 3.16Å; G29-N63 PolarHBondContact N-OD1 3.2Å; G29-T64 PolarHBondContact O-N 3.35Å | ||
| 30 | H | 94.8 | Very high | 71.5 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.019 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.2 | -174.9 | -170.9 | 84.5 | 0 | 0 | 0 | 112 | T64 S66 L133 M138 T139 A141 G142 | H30-T64 CarbonylContact C-O 3.42Å; H30-T64 WeakPolarHBondContact CA-O 3.42Å; H30-T64 WeakPolarHBondContact CA-OG1 3.44Å; H30-T64 WeakPolarHBondContact CB-OG1 3.15Å; H30-T64 PolarHBondContact ND1-OG1 2.87Å; H30-S66 PolarHBondContact CE1-OG 2.86Å; H30-S66 VanDerWaalsContact CE1-OG 3.32Å; H30-S66 PolarHBondContact NE2-OG 3.21Å; H30-L133 HydrophobicContact CB-CD2 3.8Å; H30-L133 VanDerWaalsContact CD2-CD2 3.45Å; H30-L133 WeakPolarHBondContact CD2-CD2 3.26Å; H30-M138 HydrophobicContact CB-CB 4.08Å; H30-M138 HydrophobicContact CB-SD 4.26Å; H30-M138 VanDerWaalsContact CE1-CE 3.45Å; H30-M138 WeakPolarHBondContact CE1-CE 3.23Å; H30-M138 WeakPolarHBondContact ND1-CE 3.48Å; H30-M138 PolarHBondContact ND1-SD 2.99Å; H30-T139 PolarHBondContact N-O 2.94Å; H30-A141 PolarHBondContact O-N 3Å; H30-G142 PolarHBondContact O-N 3.16Å |
| 31 | V | 96 | Very high | 74.6 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.9 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | V33 T64 F65 S66 A141 G142 W172 F467 | V31-V33 HydrophobicContact CG1-CG2 4.16Å; V31-T64 PolarHBondContact N-O 3.19Å; V31-F65 HydrophobicContact CB-CD1 3.91Å; V31-F65 HydrophobicContact CB-CE1 3.91Å; V31-F65 HydrophobicContact CG1-CD1 4.31Å; V31-F65 HydrophobicContact CG1-CE1 4.23Å; V31-F65 VanDerWaalsContact O-CA 3.29Å; V31-F65 WeakPolarHBondContact O-CA 3.42Å; V31-S66 PolarHBondContact O-N 3.23Å; V31-S66 VanDerWaalsContact O-N 3.13Å; V31-A141 HydrophobicContact CG2-CB 4.12Å; V31-G142 WeakPolarHBondContact CA-O 3.47Å; V31-W172 HydrophobicContact CG1-CH2 3.64Å; V31-W172 HydrophobicContact CG1-CZ2 4.03Å; V31-W172 HydrophobicContact CG2-CH2 4.28Å; V31-W172 HydrophobicContact CG2-CZ2 3.8Å; V31-F467 HydrophobicContact CB-CE2 4.46Å; V31-F467 HydrophobicContact CG2-CE2 3.9Å |
| 32 | S | 97.3 | Very high | 77.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.7 | 173.4 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | S66 G142 R143 L144 | S32-S66 WeakPolarHBondContact CA-O 3.47Å; S32-G142 PolarHBondContact N-O 3.15Å; S32-G142 VanDerWaalsContact N-O 3.08Å; S32-R143 WeakPolarHBondContact O-CA 3.42Å; S32-L144 PolarHBondContact O-N 3.41Å |
| 33 | V | 98.4 | Very high | 81.1 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.7 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 109 | V31 V35 F51 F65 S66 F67 Y68 L144 | V31-V33 HydrophobicContact CG1-CG2 4.16Å; V33-V35 HydrophobicContact CG1-CG2 4.36Å; V33-F51 HydrophobicContact CG1-CD1 3.78Å; V33-F51 HydrophobicContact CG1-CD2 4.31Å; V33-F51 HydrophobicContact CG1-CE1 3.5Å; V33-F51 HydrophobicContact CG1-CE2 4.08Å; V33-F51 HydrophobicContact CG1-CG 4.18Å; V33-F51 HydrophobicContact CG1-CZ 3.66Å; V33-F65 HydrophobicContact CG2-CD1 4.45Å; V33-S66 PolarHBondContact N-O 3.01Å; V33-F67 HydrophobicContact CB-CD1 3.65Å; V33-F67 HydrophobicContact CB-CE1 3.9Å; V33-F67 HydrophobicContact CG1-CD1 3.96Å; V33-F67 HydrophobicContact CG1-CE1 4.24Å; V33-F67 HydrophobicContact CG2-CD1 4.12Å; V33-F67 HydrophobicContact CG2-CE1 3.84Å; V33-F67 CarbonylContact O-C 3.56Å; V33-F67 WeakPolarHBondContact O-CA 3.43Å; V33-Y68 PolarHBondContact O-N 2.89Å; V33-L144 CarbonylContact C-O 3.52Å; V33-L144 WeakPolarHBondContact CA-O 2.91Å; V33-L144 HydrophobicContact CG1-CD2 4.43Å; V33-L144 HydrophobicContact CG2-CB 4.37Å |
| 34 | V | 98.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.1 | 179.6 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | V36 Y68 L116 L125 L144 F145 Y146 | V34-V36 HydrophobicContact CG1-CG2 4.22Å; V34-Y68 CarbonylContact C-O 3.55Å; V34-Y68 WeakPolarHBondContact CA-O 3.22Å; V34-Y68 HydrophobicContact CG2-CD2 4.03Å; V34-L116 HydrophobicContact CG1-CD1 3.92Å; V34-L125 HydrophobicContact CG1-CD2 4.11Å; V34-L125 HydrophobicContact CG2-CD2 4.13Å; V34-L144 PolarHBondContact N-O 2.66Å; V34-F145 HydrophobicContact CB-CD1 3.65Å; V34-F145 HydrophobicContact CB-CE1 3.69Å; V34-F145 HydrophobicContact CB-CG 4.25Å; V34-F145 HydrophobicContact CB-CZ 4.3Å; V34-F145 HydrophobicContact CG1-CD1 3.84Å; V34-F145 HydrophobicContact CG1-CE1 3.74Å; V34-F145 HydrophobicContact CG2-CD1 4.17Å; V34-F145 HydrophobicContact CG2-CE1 3.74Å; V34-F145 HydrophobicContact CG2-CE2 4.46Å; V34-F145 HydrophobicContact CG2-CZ 3.89Å; V34-F145 CarbonylContact O-C 3.55Å; V34-F145 WeakPolarHBondContact O-CA 3.4Å; V34-Y146 PolarHBondContact O-N 3.46Å |
| 35 | V | 98.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 96.3 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | V33 G37 G38 A43 L47 W48 F51 Y68 G70 | V33-V35 HydrophobicContact CG1-CG2 4.36Å; V35-G37 PolarHBondContact O-N 3.06Å; V35-G38 WeakPolarHBondContact O-CA 3.15Å; V35-G38 PolarHBondContact O-N 3.13Å; V35-A43 HydrophobicContact CG1-CB 4.19Å; V35-L47 HydrophobicContact CG1-CD1 4.02Å; V35-W48 HydrophobicContact CB-CH2 4.02Å; V35-W48 HydrophobicContact CB-CZ2 3.85Å; V35-W48 HydrophobicContact CG1-CZ2 4.47Å; V35-W48 HydrophobicContact CG2-CE3 4.5Å; V35-W48 HydrophobicContact CG2-CH2 3.65Å; V35-W48 HydrophobicContact CG2-CZ2 3.89Å; V35-W48 HydrophobicContact CG2-CZ3 3.98Å; V35-F51 HydrophobicContact CG2-CD2 3.92Å; V35-F51 HydrophobicContact CG2-CE2 3.55Å; V35-F51 HydrophobicContact CG2-CZ 4.4Å; V35-Y68 PolarHBondContact N-O 3.1Å; V35-G70 PolarHBondContact O-N 3.24Å |
| 36 | V | 98.1 | Very high | 90 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.2 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | V34 L116 F145 Y146 L147 S148 V149 | V34-V36 HydrophobicContact CG1-CG2 4.22Å; V36-L116 HydrophobicContact CG2-CD1 4.24Å; V36-F145 HydrophobicContact CG2-CD1 4.31Å; V36-Y146 PolarHBondContact N-O 2.85Å; V36-L147 HydrophobicContact CB-CD2 3.89Å; V36-L147 HydrophobicContact CG2-CD2 3.65Å; V36-S148 CarbonylContact O-C 3.54Å; V36-S148 WeakPolarHBondContact O-CA 3.2Å; V36-S148 WeakPolarHBondContact O-CB 3.16Å; V36-S148 PolarHBondContact O-N 2.86Å; V36-V149 HydrophobicContact CG1-CG1 3.91Å |
| 37 | G | 96.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 26.3 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V35 T39 G40 G70 | V35-G37 PolarHBondContact O-N 3.06Å; G37-T39 PolarHBondContact O-N 3.31Å; G37-G40 PolarHBondContact O-N 2.8Å; G37-G70 CarbonylContact C-O 3.51Å; G37-G70 WeakPolarHBondContact CA-O 3.29Å; G37-G70 PolarHBondContact N-O 3.17Å |
| 38 | G | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -13.5 | -170 | 0 | 0 | 0 | 0 | 0 | 116.4 | V35 A43 W48 G70 | V35-G38 WeakPolarHBondContact O-CA 3.15Å; V35-G38 PolarHBondContact O-N 3.13Å; G38-A43 WeakPolarHBondContact O-CB 3.45Å; G38-W48 PolarHBondContact O-NE1 2.83Å; G38-G70 PolarHBondContact N-O 3.47Å |
| 39 | T | 96.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 31 Ų | 31 | 20% | 0.202 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -2 | 174.9 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | G37 A78 V81 L82 Y113 | G37-T39 PolarHBondContact O-N 3.31Å; T39-A78 HydrophobicContact CG2-CB 4.34Å; T39-V81 HydrophobicContact CG2-CB 4.31Å; T39-V81 HydrophobicContact CG2-CG1 4.09Å; T39-L82 HydrophobicContact CG2-CB 4.4Å; T39-Y113 HydrophobicContact CG2-CD2 4.29Å; T39-Y113 HydrophobicContact CG2-CE2 4.08Å |
| 40 | G | 93.9 | Very high | 96.2 | Very high | 27 Ų | 27 | 30.5 Ų | 30.5 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -72.9 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G37 L42 A43 R44 | G37-G40 PolarHBondContact O-N 2.8Å; G40-L42 PolarHBondContact O-N 3.16Å; G40-A43 PolarHBondContact O-N 3.3Å; G40-R44 WeakPolarHBondContact O-CB 3.28Å; G40-R44 PolarHBondContact O-N 3.45Å |
| 41 | D | 92 | Very high | 96.3 | Very high | 110 Ų | 110 | 30.4 Ų | 30.4 | 59% | 0.588 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -63.8 | -42 | -172.7 | -74.5 | -21.5 | 0 | 0 | 0 | 113.6 | R44 K45 | D41-R44 PolarHBondContact O-N 1.98Å; D41-K45 WeakPolarHBondContact O-CB 3.4Å; D41-K45 WeakPolarHBondContact O-CG 3.44Å; D41-K45 PolarHBondContact O-N 2.86Å |
| 42 | L | 93.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 23% | 0.23 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 178 | -177.6 | 73.9 | 0 | 0 | 0 | 110.9 | G40 R44 K45 Y46 L47 E178 Y459 | G40-L42 PolarHBondContact O-N 3.16Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.81Å; L42-K45 PolarHBondContact O-N 3.11Å; L42-Y46 HydrophobicContact CD1-CD2 3.86Å; L42-Y46 PolarHBondContact O-N 2.82Å; L42-L47 HydrophobicContact CD2-CD1 4.23Å; L42-L47 HydrophobicContact CD2-CD2 4.48Å; L42-L47 HydrophobicContact CG-CD1 4.31Å; L42-L47 HydrophobicContact CG-CD2 4.38Å; L42-L47 HydrophobicContact CG-CG 4.21Å; L42-L47 PolarHBondContact O-N 3.06Å; L42-E178 HydrophobicContact CD2-CG 3.75Å; L42-Y459 HydrophobicContact CD1-CE1 4.49Å; L42-Y459 HydrophobicContact CD1-CE2 4.07Å |
| 43 | A | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -58.8 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V35 G38 G40 L47 W48 | V35-A43 HydrophobicContact CG1-CB 4.19Å; G38-A43 WeakPolarHBondContact O-CB 3.45Å; G40-A43 PolarHBondContact O-N 3.3Å; A43-L47 HydrophobicContact CB-CD1 4.19Å; A43-L47 PolarHBondContact O-N 2.88Å; A43-W48 PolarHBondContact O-N 3.1Å |
| 44 | R | 95.9 | Very high | 96 | Very high | 133 Ų | 133 | 32.7 Ų | 32.7 | 50% | 0.502 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -62.3 | -45.8 | 177.9 | 179.9 | -177.7 | -48.8 | -162.4 | 6.1 | 113 | G40 D41 L42 I85 | G40-R44 WeakPolarHBondContact O-CB 3.28Å; G40-R44 PolarHBondContact O-N 3.45Å; D41-R44 PolarHBondContact O-N 1.98Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.81Å; R44-I85 HydrophobicContact CB-CD1 4.19Å; R44-I85 HydrophobicContact CB-CG1 4.31Å; R44-I85 HydrophobicContact CB-CG2 4.3Å; R44-I85 HydrophobicContact CG-CD1 4.41Å; R44-I85 HydrophobicContact CG-CG1 4.04Å; R44-I85 HydrophobicContact CG-CG2 4.32Å |
| 45 | K | 94.1 | Very high | 95.9 | Very high | 135 Ų | 135 | 33.1 Ų | 33.1 | 59% | 0.587 | 16% | 0.161 | S | C | * | . | I | π-helix | trans | -78.3 | -34.8 | -173.5 | -72.2 | 176.2 | -179.4 | 174.9 | 0 | 112.9 | D41 L42 | D41-K45 WeakPolarHBondContact O-CB 3.4Å; D41-K45 WeakPolarHBondContact O-CG 3.44Å; D41-K45 PolarHBondContact O-N 2.86Å; L42-K45 PolarHBondContact O-N 3.11Å |
| 46 | Y | 95.6 | Very high | 95.6 | Very high | 94 Ų | 94 | 34.2 Ų | 34.2 | 37% | 0.369 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -132.7 | -51 | -167.2 | -56.1 | -73.9 | 0 | 0 | 0 | 114.3 | L42 W48 Q49 G50 E457 Y459 | L42-Y46 HydrophobicContact CD1-CD2 3.86Å; L42-Y46 PolarHBondContact O-N 2.82Å; Y46-W48 PolarHBondContact O-N 3Å; Y46-Q49 PolarHBondContact O-N 2.99Å; Y46-G50 PolarHBondContact O-N 3.33Å; Y46-E457 HydrophobicContact CD1-CG 4.28Å; Y46-Y459 HydrophobicContact CD1-CD2 4.17Å; Y46-Y459 HydrophobicContact CD2-CD2 4.41Å; Y46-Y459 HydrophobicContact CD2-CE2 4.3Å; Y46-Y459 AromaticContact CG-CD2 3.83Å; Y46-Y459 HydrophobicContact CG-CD2 3.83Å; Y46-Y459 HydrophobicContact CG-CE2 4.18Å |
| 47 | L | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -66.9 | -46.3 | -164.7 | -51.1 | -178.6 | 0 | 0 | 0 | 113.1 | V35 L42 A43 Q49 G50 F51 Y146 Y459 | V35-L47 HydrophobicContact CG1-CD1 4.02Å; L42-L47 HydrophobicContact CD2-CD1 4.23Å; L42-L47 HydrophobicContact CD2-CD2 4.48Å; L42-L47 HydrophobicContact CG-CD1 4.31Å; L42-L47 HydrophobicContact CG-CD2 4.38Å; L42-L47 HydrophobicContact CG-CG 4.21Å; L42-L47 PolarHBondContact O-N 3.06Å; A43-L47 HydrophobicContact CB-CD1 4.19Å; A43-L47 PolarHBondContact O-N 2.88Å; L47-Q49 VanDerWaalsContact C-N 3.29Å; L47-Q49 PolarHBondContact O-N 2.97Å; L47-G50 PolarHBondContact O-N 3.28Å; L47-G50 VanDerWaalsContact O-N 3.15Å; L47-F51 HydrophobicContact CB-CD2 4.31Å; L47-F51 HydrophobicContact CB-CE2 4.23Å; L47-F51 WeakPolarHBondContact O-CD2 3.48Å; L47-F51 PolarHBondContact O-N 3.33Å; L47-Y146 HydrophobicContact CD1-CD1 3.51Å; L47-Y146 HydrophobicContact CD1-CE1 3.47Å; L47-Y146 VanDerWaalsContact CD1-CE1 3.47Å; L47-Y146 HydrophobicContact CD1-CG 4.11Å; L47-Y146 HydrophobicContact CD2-CD1 4.41Å; L47-Y146 HydrophobicContact CD2-CD2 4.49Å; L47-Y146 HydrophobicContact CD2-CE1 3.73Å; L47-Y146 HydrophobicContact CD2-CE2 3.79Å; L47-Y146 WeakPolarHBondContact CD2-OH 3.48Å; L47-Y146 HydrophobicContact CG-CE1 4.26Å; L47-Y459 HydrophobicContact CD2-CD1 3.74Å; L47-Y459 HydrophobicContact CD2-CE1 4.19Å; L47-Y459 HydrophobicContact CD2-CG 4.26Å |
| 48 | W | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -34.5 | 179.9 | -71 | 117.7 | 0 | 0 | 0 | 112.6 | V35 G38 A43 Y46 F52 F67 L82 I85 L86 V89 F107 | V35-W48 HydrophobicContact CB-CH2 4.02Å; V35-W48 HydrophobicContact CB-CZ2 3.85Å; V35-W48 HydrophobicContact CG1-CZ2 4.47Å; V35-W48 HydrophobicContact CG2-CE3 4.5Å; V35-W48 HydrophobicContact CG2-CH2 3.65Å; V35-W48 HydrophobicContact CG2-CZ2 3.89Å; V35-W48 HydrophobicContact CG2-CZ3 3.98Å; G38-W48 PolarHBondContact O-NE1 2.83Å; A43-W48 PolarHBondContact O-N 3.1Å; Y46-W48 PolarHBondContact O-N 3Å; W48-F52 VanDerWaalsContact O-CB 3.25Å; W48-F52 WeakPolarHBondContact O-CB 3.44Å; W48-F52 PolarHBondContact O-N 2.91Å; W48-F67 HydrophobicContact CZ3-CB 4.1Å; W48-F67 HydrophobicContact CZ3-CD1 4.33Å; W48-L82 HydrophobicContact CH2-CD1 4.32Å; W48-L82 HydrophobicContact CZ2-CD1 3.49Å; W48-L82 VanDerWaalsContact CZ2-CD1 3.49Å; W48-I85 HydrophobicContact CB-CG2 4.35Å; W48-I85 HydrophobicContact CG-CG2 4.08Å; W48-L86 HydrophobicContact CB-CD2 4.24Å; W48-L86 HydrophobicContact CD2-CD2 3.56Å; W48-L86 HydrophobicContact CE3-CD2 3.5Å; W48-L86 HydrophobicContact CG-CD2 3.91Å; W48-L86 HydrophobicContact CZ3-CD2 4.08Å; W48-V89 HydrophobicContact CB-CG1 4.32Å; W48-F107 HydrophobicContact CE3-CZ 4.19Å |
| 49 | Q | 96.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 172.8 | 179.6 | 59.6 | 48.4 | 0 | 0 | 111.2 | Y46 L47 F52 Q53 T90 | Y46-Q49 PolarHBondContact O-N 2.99Å; L47-Q49 VanDerWaalsContact C-N 3.29Å; L47-Q49 PolarHBondContact O-N 2.97Å; Q49-F52 PolarHBondContact O-N 3.13Å; Q49-Q53 WeakPolarHBondContact O-CG 3.5Å; Q49-Q53 PolarHBondContact O-N 3.41Å; Q49-T90 PolarHBondContact NE2-O 3.4Å; Q49-T90 PolarHBondContact OE1-OG1 2.76Å |
| 50 | G | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y46 L47 Q53 L54 S460 | Y46-G50 PolarHBondContact O-N 3.33Å; L47-G50 PolarHBondContact O-N 3.28Å; L47-G50 VanDerWaalsContact O-N 3.15Å; G50-Q53 PolarHBondContact O-N 3.42Å; G50-L54 PolarHBondContact O-N 3.03Å; G50-S460 WeakPolarHBondContact CA-OG 3.25Å |
| 51 | F | 97.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 174.8 | -75.6 | -57.7 | 0 | 0 | 0 | 112.9 | V33 V35 L47 L54 Y55 F67 L144 Y146 I463 | V33-F51 HydrophobicContact CG1-CD1 3.78Å; V33-F51 HydrophobicContact CG1-CD2 4.31Å; V33-F51 HydrophobicContact CG1-CE1 3.5Å; V33-F51 HydrophobicContact CG1-CE2 4.08Å; V33-F51 HydrophobicContact CG1-CG 4.18Å; V33-F51 HydrophobicContact CG1-CZ 3.66Å; V35-F51 HydrophobicContact CG2-CD2 3.92Å; V35-F51 HydrophobicContact CG2-CE2 3.55Å; V35-F51 HydrophobicContact CG2-CZ 4.4Å; L47-F51 HydrophobicContact CB-CD2 4.31Å; L47-F51 HydrophobicContact CB-CE2 4.23Å; L47-F51 WeakPolarHBondContact O-CD2 3.48Å; L47-F51 PolarHBondContact O-N 3.33Å; F51-L54 HydrophobicContact CD1-CD2 4.35Å; F51-L54 PolarHBondContact O-N 3.18Å; F51-Y55 WeakPolarHBondContact O-CB 3.39Å; F51-Y55 PolarHBondContact O-N 2.72Å; F51-F67 HydrophobicContact CB-CD1 4.48Å; F51-F67 HydrophobicContact CB-CE1 4.05Å; F51-F67 HydrophobicContact CG-CE1 4.5Å; F51-L144 HydrophobicContact CE1-CD1 4.13Å; F51-L144 HydrophobicContact CE1-CD2 4.11Å; F51-L144 HydrophobicContact CZ-CD2 3.9Å; F51-Y146 HydrophobicContact CE2-CD2 4.12Å; F51-Y146 HydrophobicContact CE2-CG 4.46Å; F51-Y146 AromaticContact CZ-CD2 3.8Å; F51-Y146 HydrophobicContact CZ-CD2 3.8Å; F51-Y146 HydrophobicContact CZ-CG 4.38Å; F51-I463 HydrophobicContact CD1-CD1 4.34Å; F51-I463 HydrophobicContact CD1-CG2 3.68Å; F51-I463 HydrophobicContact CD2-CD1 4.24Å; F51-I463 HydrophobicContact CE1-CD1 4.31Å; F51-I463 HydrophobicContact CE1-CG1 4.27Å; F51-I463 HydrophobicContact CE1-CG2 3.76Å; F51-I463 HydrophobicContact CE2-CD1 4.2Å; F51-I463 HydrophobicContact CG-CD1 4.3Å; F51-I463 HydrophobicContact CG-CG2 4.5Å; F51-I463 HydrophobicContact CZ-CD1 4.25Å; F51-I463 HydrophobicContact CZ-CG1 4.37Å |
| 52 | F | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 171.8 | 178.6 | -115.3 | 0 | 0 | 0 | 111.2 | W48 Q49 L54 Y55 V56 V89 C91 L103 K104 F107 | W48-F52 VanDerWaalsContact O-CB 3.25Å; W48-F52 WeakPolarHBondContact O-CB 3.44Å; W48-F52 PolarHBondContact O-N 2.91Å; Q49-F52 PolarHBondContact O-N 3.13Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.94Å; F52-Y55 HydrophobicContact CD2-CD1 4.3Å; F52-Y55 HydrophobicContact CE2-CD1 4.33Å; F52-Y55 WeakPolarHBondContact O-CB 2.99Å; F52-Y55 PolarHBondContact O-N 3.22Å; F52-V56 HydrophobicContact CD1-CG2 4.45Å; F52-V56 HydrophobicContact CD2-CG2 4.32Å; F52-V56 HydrophobicContact CE1-CG2 4.04Å; F52-V56 HydrophobicContact CE2-CG2 3.89Å; F52-V56 HydrophobicContact CZ-CG2 3.74Å; F52-V56 VanDerWaalsContact O-CG2 3.32Å; F52-V56 WeakPolarHBondContact O-CG2 3.45Å; F52-V56 PolarHBondContact O-N 3.02Å; F52-V89 HydrophobicContact CB-CB 4.19Å; F52-V89 HydrophobicContact CB-CG1 4.34Å; F52-V89 HydrophobicContact CB-CG2 4.16Å; F52-V89 HydrophobicContact CD1-CB 3.96Å; F52-V89 HydrophobicContact CD1-CG2 3.67Å; F52-V89 HydrophobicContact CD2-CG2 3.97Å; F52-V89 HydrophobicContact CE1-CG2 4.02Å; F52-V89 HydrophobicContact CE2-CG2 4.3Å; F52-V89 HydrophobicContact CG-CB 4.08Å; F52-V89 HydrophobicContact CG-CG2 3.65Å; F52-V89 HydrophobicContact CZ-CG2 4.32Å; F52-C91 HydrophobicContact CE1-CB 4.45Å; F52-C91 VanDerWaalsContact CE1-SG 3.58Å; F52-L103 HydrophobicContact CE2-CB 4.37Å; F52-L103 HydrophobicContact CZ-CB 4.34Å; F52-K104 HydrophobicContact CE1-CG 4.23Å; F52-K104 HydrophobicContact CE2-CG 4.01Å; F52-K104 HydrophobicContact CZ-CG 3.55Å; F52-F107 HydrophobicContact CB-CD1 4.38Å; F52-F107 HydrophobicContact CB-CE1 3.97Å; F52-F107 HydrophobicContact CB-CE2 4.33Å; F52-F107 HydrophobicContact CB-CZ 3.96Å; F52-F107 HydrophobicContact CD2-CB 3.86Å; F52-F107 AromaticContact CD2-CD1 3.73Å; F52-F107 HydrophobicContact CD2-CD1 3.73Å; F52-F107 AromaticContact CD2-CD2 3.95Å; F52-F107 HydrophobicContact CD2-CD2 3.95Å; F52-F107 HydrophobicContact CD2-CE1 4.18Å; F52-F107 HydrophobicContact CD2-CE2 4.39Å; F52-F107 AromaticContact CD2-CG 3.59Å; F52-F107 HydrophobicContact CD2-CG 3.59Å; F52-F107 HydrophobicContact CE2-CB 3.98Å; F52-F107 HydrophobicContact CE2-CG 4.23Å; F52-F107 HydrophobicContact CG-CD1 4.42Å; F52-F107 HydrophobicContact CG-CE1 4.49Å |
| 53 | Q | 94.1 | Very high | 92.4 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 175.5 | -73.8 | 174.1 | -2.2 | 0 | 0 | 112.5 | Q49 G50 V56 S57 S460 | Q49-Q53 WeakPolarHBondContact O-CG 3.5Å; Q49-Q53 PolarHBondContact O-N 3.41Å; G50-Q53 PolarHBondContact O-N 3.42Å; Q53-V56 PolarHBondContact O-N 3.46Å; Q53-S57 PolarHBondContact O-N 3.1Å; Q53-S460 PolarHBondContact OE1-OG 2.87Å |
| 54 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 171.3 | 178.6 | 69.8 | 0 | 0 | 0 | 111.3 | G50 F51 F52 V56 S57 Q58 F65 I463 F467 | G50-L54 PolarHBondContact O-N 3.03Å; F51-L54 HydrophobicContact CD1-CD2 4.35Å; F51-L54 PolarHBondContact O-N 3.18Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.94Å; L54-V56 VanDerWaalsContact C-N 3.35Å; L54-V56 PolarHBondContact O-N 2.91Å; L54-S57 PolarHBondContact O-N 2.96Å; L54-S57 PolarHBondContact O-OG 2.75Å; L54-S57 VanDerWaalsContact O-OG 3.06Å; L54-Q58 HydrophobicContact CD1-CG 3.7Å; L54-Q58 HydrophobicContact CG-CG 4.24Å; L54-Q58 WeakPolarHBondContact O-CB 3.38Å; L54-Q58 VanDerWaalsContact O-CG 3.3Å; L54-Q58 WeakPolarHBondContact O-CG 3.37Å; L54-Q58 PolarHBondContact O-N 2.98Å; L54-F65 HydrophobicContact CD2-CE1 4.41Å; L54-I463 HydrophobicContact CB-CG2 3.99Å; L54-I463 HydrophobicContact CD2-CG2 3.77Å; L54-I463 HydrophobicContact CG-CG2 4.37Å; L54-F467 HydrophobicContact CD1-CB 3.8Å; L54-F467 HydrophobicContact CD1-CD1 4.16Å; L54-F467 HydrophobicContact CD1-CD2 4.36Å; L54-F467 HydrophobicContact CD1-CG 3.85Å; L54-F467 HydrophobicContact CD2-CB 4Å; L54-F467 HydrophobicContact CD2-CD2 4.05Å; L54-F467 HydrophobicContact CD2-CG 4.19Å |
| 55 | Y | 95.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 177.2 | 169 | -108.7 | 0 | 0 | 0 | 111.5 | F51 F52 S57 Q58 V59 F65 F67 L103 Q106 F107 L110 | F51-Y55 WeakPolarHBondContact O-CB 3.39Å; F51-Y55 PolarHBondContact O-N 2.72Å; F52-Y55 HydrophobicContact CD2-CD1 4.3Å; F52-Y55 HydrophobicContact CE2-CD1 4.33Å; F52-Y55 WeakPolarHBondContact O-CB 2.99Å; F52-Y55 PolarHBondContact O-N 3.22Å; Y55-S57 VanDerWaalsContact C-N 3.31Å; Y55-S57 PolarHBondContact O-N 2.8Å; Y55-Q58 PolarHBondContact O-N 2.92Å; Y55-V59 HydrophobicContact CD2-CB 4.33Å; Y55-V59 HydrophobicContact CE2-CB 3.98Å; Y55-V59 HydrophobicContact CE2-CG2 3.91Å; Y55-V59 VanDerWaalsContact O-CB 3.29Å; Y55-V59 WeakPolarHBondContact O-CB 2.86Å; Y55-V59 WeakPolarHBondContact O-CG1 3.41Å; Y55-V59 PolarHBondContact O-N 2.86Å; Y55-F65 HydrophobicContact CD2-CB 4.47Å; Y55-F65 AromaticContact CD2-CD2 3.9Å; Y55-F65 HydrophobicContact CD2-CD2 3.9Å; Y55-F65 HydrophobicContact CD2-CG 4.42Å; Y55-F67 HydrophobicContact CD2-CE2 4.26Å; Y55-F67 HydrophobicContact CG-CE2 4.48Å; Y55-L103 HydrophobicContact CE1-CB 4.5Å; Y55-L103 HydrophobicContact CE1-CD2 4Å; Y55-Q106 WeakPolarHBondContact OH-CB 3.06Å; Y55-Q106 PolarHBondContact OH-OE1 2.99Å; Y55-Q106 VanDerWaalsContact OH-OE1 3.08Å; Y55-F107 HydrophobicContact CD1-CB 4.23Å; Y55-F107 AromaticContact CD1-CD2 3.93Å; Y55-F107 HydrophobicContact CD1-CD2 3.93Å; Y55-F107 HydrophobicContact CD1-CG 4.49Å; Y55-F107 HydrophobicContact CE1-CB 4.24Å; Y55-F107 AromaticContact CG-CD2 3.99Å; Y55-F107 HydrophobicContact CG-CD2 3.99Å; Y55-L110 HydrophobicContact CD2-CD1 4.44Å; Y55-L110 HydrophobicContact CE2-CD1 3.66Å |
| 56 | V | 92.2 | Very high | 92.4 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | F52 Q53 L54 V95 L103 | F52-V56 HydrophobicContact CD1-CG2 4.45Å; F52-V56 HydrophobicContact CD2-CG2 4.32Å; F52-V56 HydrophobicContact CE1-CG2 4.04Å; F52-V56 HydrophobicContact CE2-CG2 3.89Å; F52-V56 HydrophobicContact CZ-CG2 3.74Å; F52-V56 VanDerWaalsContact O-CG2 3.32Å; F52-V56 WeakPolarHBondContact O-CG2 3.45Å; F52-V56 PolarHBondContact O-N 3.02Å; Q53-V56 PolarHBondContact O-N 3.46Å; L54-V56 VanDerWaalsContact C-N 3.35Å; L54-V56 PolarHBondContact O-N 2.91Å; V56-V95 HydrophobicContact CG1-CG2 4.28Å; V56-L103 HydrophobicContact CG1-CD1 4.11Å; V56-L103 HydrophobicContact CG2-CB 4.44Å; V56-L103 HydrophobicContact CG2-CD1 4.07Å |
| 57 | S | 89 | Confident | 92.6 | Very high | 55 Ų | 55 | 25.4 Ų | 25.4 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -74 | -32.8 | -179.2 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | Q53 L54 Y55 H464 | Q53-S57 PolarHBondContact O-N 3.1Å; L54-S57 PolarHBondContact O-N 2.96Å; L54-S57 PolarHBondContact O-OG 2.75Å; L54-S57 VanDerWaalsContact O-OG 3.06Å; Y55-S57 VanDerWaalsContact C-N 3.31Å; Y55-S57 PolarHBondContact O-N 2.8Å; S57-H464 PolarHBondContact OG-NE2 3.03Å |
| 58 | Q | 91.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 25.6 Ų | 25.6 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -96.7 | -25.5 | -172.5 | -63.9 | -52.8 | -54.5 | 0 | 0 | 114.6 | L54 Y55 S60 G61 N63 F65 F467 | L54-Q58 HydrophobicContact CD1-CG 3.7Å; L54-Q58 HydrophobicContact CG-CG 4.24Å; L54-Q58 WeakPolarHBondContact O-CB 3.38Å; L54-Q58 VanDerWaalsContact O-CG 3.3Å; L54-Q58 WeakPolarHBondContact O-CG 3.37Å; L54-Q58 PolarHBondContact O-N 2.98Å; Y55-Q58 PolarHBondContact O-N 2.92Å; Q58-S60 PolarHBondContact O-N 2.79Å; Q58-G61 WeakPolarHBondContact O-CA 3.3Å; Q58-G61 PolarHBondContact O-N 2.97Å; Q58-N63 HydrophobicContact CB-CB 4.26Å; Q58-N63 PolarHBondContact OE1-ND2 3.49Å; Q58-F65 HydrophobicContact CB-CE2 3.71Å; Q58-F65 HydrophobicContact CB-CZ 3.67Å; Q58-F65 HydrophobicContact CG-CZ 4.19Å; Q58-F467 HydrophobicContact CG-CD1 4.29Å; Q58-F467 HydrophobicContact CG-CE1 3.91Å; Q58-F467 HydrophobicContact CG-CZ 4.15Å |
| 59 | V | 85 | Confident | 92.6 | Very high | 45 Ų | 45 | 25.5 Ų | 25.5 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.4 | -32.5 | -177.3 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | Y55 G61 G62 L103 | Y55-V59 HydrophobicContact CD2-CB 4.33Å; Y55-V59 HydrophobicContact CE2-CB 3.98Å; Y55-V59 HydrophobicContact CE2-CG2 3.91Å; Y55-V59 VanDerWaalsContact O-CB 3.29Å; Y55-V59 WeakPolarHBondContact O-CB 2.86Å; Y55-V59 WeakPolarHBondContact O-CG1 3.41Å; Y55-V59 PolarHBondContact O-N 2.86Å; V59-G61 PolarHBondContact O-N 2.78Å; V59-G62 PolarHBondContact O-N 3.03Å; V59-L103 HydrophobicContact CG1-CD2 4.09Å |
| 60 | S | 81.5 | Confident | 92.6 | Very high | 83 Ų | 83 | 23.8 Ų | 23.8 | 58% | 0.58 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.3 | 176.3 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | Q58 G62 R99 | Q58-S60 PolarHBondContact O-N 2.79Å; S60-G62 VanDerWaalsContact C-N 3.34Å; S60-R99 PolarHBondContact OG-NH2 3.3Å |
| 61 | G | 79.9 | Confident | 92.5 | Very high | 56 Ų | 56 | 24.1 Ų | 24.1 | 58% | 0.577 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 4.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q58 V59 | Q58-G61 WeakPolarHBondContact O-CA 3.3Å; Q58-G61 PolarHBondContact O-N 2.97Å; V59-G61 PolarHBondContact O-N 2.78Å |
| 62 | G | 84.1 | Confident | 92.4 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 44% | 0.443 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -0.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V59 S60 | V59-G62 PolarHBondContact O-N 3.03Å; S60-G62 VanDerWaalsContact C-N 3.34Å |
| 63 | N | 89.3 | Confident | 92.4 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | trans | -72.7 | 139.3 | 174.5 | -69.1 | -45.1 | 0 | 0 | 0 | 111 | G29 Q58 F65 | G29-N63 PolarHBondContact N-OD1 3.2Å; Q58-N63 HydrophobicContact CB-CB 4.26Å; Q58-N63 PolarHBondContact OE1-ND2 3.49Å; N63-F65 HydrophobicContact CB-CE2 3.73Å; N63-F65 HydrophobicContact CB-CZ 4.07Å | ||
| 64 | T | 93.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 37% | 0.368 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 154.4 | 173.7 | 62 | 0 | 0 | 0 | 0 | 110.4 | G29 H30 V31 M138 | G29-T64 PolarHBondContact O-N 3.35Å; H30-T64 CarbonylContact C-O 3.42Å; H30-T64 WeakPolarHBondContact CA-O 3.42Å; H30-T64 WeakPolarHBondContact CA-OG1 3.44Å; H30-T64 WeakPolarHBondContact CB-OG1 3.15Å; H30-T64 PolarHBondContact ND1-OG1 2.87Å; V31-T64 PolarHBondContact N-O 3.19Å; T64-M138 PolarHBondContact OG1-SD 3.41Å |
| 65 | F | 96.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.5 | -172.2 | -66.5 | -92.6 | 0 | 0 | 0 | 112 | V31 V33 L54 Y55 Q58 N63 F67 F467 | V31-F65 HydrophobicContact CB-CD1 3.91Å; V31-F65 HydrophobicContact CB-CE1 3.91Å; V31-F65 HydrophobicContact CG1-CD1 4.31Å; V31-F65 HydrophobicContact CG1-CE1 4.23Å; V31-F65 VanDerWaalsContact O-CA 3.29Å; V31-F65 WeakPolarHBondContact O-CA 3.42Å; V33-F65 HydrophobicContact CG2-CD1 4.45Å; L54-F65 HydrophobicContact CD2-CE1 4.41Å; Y55-F65 HydrophobicContact CD2-CB 4.47Å; Y55-F65 AromaticContact CD2-CD2 3.9Å; Y55-F65 HydrophobicContact CD2-CD2 3.9Å; Y55-F65 HydrophobicContact CD2-CG 4.42Å; Q58-F65 HydrophobicContact CB-CE2 3.71Å; Q58-F65 HydrophobicContact CB-CZ 3.67Å; Q58-F65 HydrophobicContact CG-CZ 4.19Å; N63-F65 HydrophobicContact CB-CE2 3.73Å; N63-F65 HydrophobicContact CB-CZ 4.07Å; F65-F67 HydrophobicContact CB-CD2 4.26Å; F65-F67 HydrophobicContact CB-CE2 3.44Å; F65-F67 VanDerWaalsContact CB-CE2 3.44Å; F65-F67 HydrophobicContact CB-CZ 3.66Å; F65-F67 AromaticContact CD1-CZ 3.96Å; F65-F67 HydrophobicContact CD1-CZ 3.96Å; F65-F67 HydrophobicContact CG-CE2 4.17Å; F65-F67 AromaticContact CG-CZ 3.92Å; F65-F67 HydrophobicContact CG-CZ 3.92Å; F65-F467 HydrophobicContact CE1-CD2 4.26Å; F65-F467 AromaticContact CE1-CE2 3.8Å; F65-F467 HydrophobicContact CE1-CE2 3.8Å; F65-F467 HydrophobicContact CZ-CD2 4.49Å; F65-F467 AromaticContact CZ-CE2 3.78Å; F65-F467 HydrophobicContact CZ-CE2 3.78Å; F65-F467 HydrophobicContact CZ-CZ 4.22Å |
| 66 | S | 97.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.9 | 160.6 | -73.8 | 0 | 0 | 0 | 0 | 109.1 | H30 V31 S32 V33 Q132 | H30-S66 PolarHBondContact CE1-OG 2.86Å; H30-S66 VanDerWaalsContact CE1-OG 3.32Å; H30-S66 PolarHBondContact NE2-OG 3.21Å; V31-S66 PolarHBondContact O-N 3.23Å; V31-S66 VanDerWaalsContact O-N 3.13Å; S32-S66 WeakPolarHBondContact CA-O 3.47Å; V33-S66 PolarHBondContact N-O 3.01Å; S66-Q132 PolarHBondContact OG-NE2 3.28Å |
| 67 | F | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.6 | -174.2 | -63.8 | -84.4 | 0 | 0 | 0 | 110.2 | V33 W48 F51 Y55 F65 F107 L110 S111 Q112 | V33-F67 HydrophobicContact CB-CD1 3.65Å; V33-F67 HydrophobicContact CB-CE1 3.9Å; V33-F67 HydrophobicContact CG1-CD1 3.96Å; V33-F67 HydrophobicContact CG1-CE1 4.24Å; V33-F67 HydrophobicContact CG2-CD1 4.12Å; V33-F67 HydrophobicContact CG2-CE1 3.84Å; V33-F67 CarbonylContact O-C 3.56Å; V33-F67 WeakPolarHBondContact O-CA 3.43Å; W48-F67 HydrophobicContact CZ3-CB 4.1Å; W48-F67 HydrophobicContact CZ3-CD1 4.33Å; F51-F67 HydrophobicContact CB-CD1 4.48Å; F51-F67 HydrophobicContact CB-CE1 4.05Å; F51-F67 HydrophobicContact CG-CE1 4.5Å; Y55-F67 HydrophobicContact CD2-CE2 4.26Å; Y55-F67 HydrophobicContact CG-CE2 4.48Å; F65-F67 HydrophobicContact CB-CD2 4.26Å; F65-F67 HydrophobicContact CB-CE2 3.44Å; F65-F67 VanDerWaalsContact CB-CE2 3.44Å; F65-F67 HydrophobicContact CB-CZ 3.66Å; F65-F67 AromaticContact CD1-CZ 3.96Å; F65-F67 HydrophobicContact CD1-CZ 3.96Å; F65-F67 HydrophobicContact CG-CE2 4.17Å; F65-F67 AromaticContact CG-CZ 3.92Å; F65-F67 HydrophobicContact CG-CZ 3.92Å; F67-F107 HydrophobicContact CD1-CE2 4.05Å; F67-F107 HydrophobicContact CD1-CZ 4.47Å; F67-F107 AromaticContact CD2-CD2 3.95Å; F67-F107 HydrophobicContact CD2-CD2 3.95Å; F67-F107 AromaticContact CD2-CE2 3.66Å; F67-F107 HydrophobicContact CD2-CE2 3.66Å; F67-F107 AromaticContact CE1-CE2 3.88Å; F67-F107 HydrophobicContact CE1-CE2 3.88Å; F67-F107 AromaticContact CE2-CD2 3.68Å; F67-F107 HydrophobicContact CE2-CD2 3.68Å; F67-F107 AromaticContact CE2-CE2 3.45Å; F67-F107 HydrophobicContact CE2-CE2 3.45Å; F67-F107 VanDerWaalsContact CE2-CE2 3.45Å; F67-F107 AromaticContact CG-CE2 3.97Å; F67-F107 HydrophobicContact CG-CE2 3.97Å; F67-F107 HydrophobicContact CG-CZ 4.48Å; F67-F107 HydrophobicContact CZ-CD2 4.2Å; F67-F107 AromaticContact CZ-CE2 3.6Å; F67-F107 HydrophobicContact CZ-CE2 3.6Å; F67-L110 HydrophobicContact CD2-CB 4.16Å; F67-L110 PolarHBondContact N-O 3Å; F67-S111 WeakPolarHBondContact CB-OG 3.22Å; F67-S111 CarbonylContact O-C 3.51Å; F67-S111 VanDerWaalsContact O-CA 3.25Å; F67-S111 WeakPolarHBondContact O-CA 3.34Å; F67-Q112 PolarHBondContact O-N 2.8Å |
| 68 | Y | 98.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.9 | 180 | -54.8 | -80.8 | 0 | 0 | 0 | 109.9 | V33 V34 V35 Q112 R114 L125 H128 I129 Q132 | V33-Y68 PolarHBondContact O-N 2.89Å; V34-Y68 CarbonylContact C-O 3.55Å; V34-Y68 WeakPolarHBondContact CA-O 3.22Å; V34-Y68 HydrophobicContact CG2-CD2 4.03Å; V35-Y68 PolarHBondContact N-O 3.1Å; Y68-Q112 CarbonylContact C-O 3.56Å; Y68-Q112 VanDerWaalsContact CA-O 3.25Å; Y68-Q112 WeakPolarHBondContact CA-O 3.28Å; Y68-Q112 HydrophobicContact CD1-CB 4.31Å; Y68-R114 HydrophobicContact CD1-CG 4.2Å; Y68-L125 HydrophobicContact CD1-CD1 4.12Å; Y68-L125 HydrophobicContact CD2-CD1 4.42Å; Y68-L125 HydrophobicContact CG-CD1 4.06Å; Y68-H128 AromaticContact CE1-CD2 3.7Å; Y68-H128 AromaticContact CE1-NE2 3.84Å; Y68-I129 HydrophobicContact CE2-CD1 4.09Å; Y68-I129 HydrophobicContact CE2-CG1 3.77Å; Y68-Q132 PolarHBondContact OH-OE1 3.18Å |
| 69 | G | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q112 Y113 R114 | G69-Q112 PolarHBondContact N-O 3.33Å; G69-Y113 CarbonylContact O-C 3.53Å; G69-Y113 VanDerWaalsContact O-CA 3.28Å; G69-Y113 WeakPolarHBondContact O-CA 3.4Å; G69-Y113 WeakPolarHBondContact O-CD2 3.4Å; G69-R114 PolarHBondContact O-N 2.83Å |
| 70 | G | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V35 G37 G38 R114 | V35-G70 PolarHBondContact O-N 3.24Å; G37-G70 CarbonylContact C-O 3.51Å; G37-G70 WeakPolarHBondContact CA-O 3.29Å; G37-G70 PolarHBondContact N-O 3.17Å; G38-G70 PolarHBondContact N-O 3.47Å; G70-R114 WeakPolarHBondContact CA-O 3.32Å |
| 71 | G | 94.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y113 R114 Q115 L116 | G71-Y113 VanDerWaalsContact C-OH 3.23Å; G71-Y113 VanDerWaalsContact CA-OH 3.26Å; G71-Y113 WeakPolarHBondContact CA-OH 3.45Å; G71-Y113 PolarHBondContact N-OH 2.78Å; G71-Y113 PolarHBondContact O-OH 3.35Å; G71-R114 PolarHBondContact N-O 2.99Å; G71-Q115 WeakPolarHBondContact O-CA 3.42Å; G71-L116 PolarHBondContact O-N 2.74Å |
| 72 | L | 94.9 | Very high | 95.4 | Very high | 127 Ų | 127 | 44.4 Ų | 44.4 | 67% | 0.665 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -76.5 | -25.3 | -179.6 | -58.5 | -178.6 | 0 | 0 | 0 | 113 | Q115 K117 | L72-Q115 PolarHBondContact O-NE2 3.35Å; L72-K117 HydrophobicContact CD2-CB 4.11Å; L72-K117 HydrophobicContact CD2-CG 4.14Å |
| 73 | S | 95.4 | Very high | 96 | Very high | 53 Ų | 53 | 47 Ų | 47 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -68.7 | 146.2 | -177.3 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | Y113 | S73-Y113 PolarHBondContact N-OH 2.81Å; S73-Y113 WeakPolarHBondContact O-CE1 3.39Å; S73-Y113 PolarHBondContact O-OH 2.78Å |
| 74 | P | 96.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | trans | -57.8 | 145.5 | 172.2 | -22.6 | 33.4 | 0 | 0 | 0 | 112 | E76 Q77 A78 | P74-E76 VanDerWaalsContact C-N 3.27Å; P74-E76 PolarHBondContact O-N 3.15Å; P74-Q77 PolarHBondContact O-N 2.92Å; P74-Q77 VanDerWaalsContact O-N 3.11Å; P74-A78 PolarHBondContact O-N 3.44Å | ||
| 75 | S | 94.4 | Very high | 96.5 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.4 | -36.3 | -175.3 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | Q77 A78 T79 | S75-Q77 PolarHBondContact O-N 3.35Å; S75-A78 PolarHBondContact O-N 3Å; S75-T79 VanDerWaalsContact O-CB 3.26Å; S75-T79 WeakPolarHBondContact O-CB 3.32Å; S75-T79 PolarHBondContact O-N 3.04Å; S75-T79 PolarHBondContact O-OG1 2.8Å |
| 76 | E | 95.3 | Very high | 96.5 | Very high | 178 Ų | 178 | 49.3 Ų | 49.3 | 83% | 0.832 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.7 | -36.3 | 178.8 | -64.4 | 175.6 | -177.5 | 0 | 0 | 112.7 | P74 P80 | P74-E76 VanDerWaalsContact C-N 3.27Å; P74-E76 PolarHBondContact O-N 3.15Å; E76-P80 WeakPolarHBondContact O-CD 3.38Å |
| 77 | Q | 95 | Very high | 96.4 | Very high | 133 Ų | 133 | 54.4 Ų | 54.4 | 62% | 0.621 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -85.2 | -37 | -178.8 | -64.7 | 178.8 | 6.3 | 0 | 0 | 112.2 | P74 S75 | P74-Q77 PolarHBondContact O-N 2.92Å; P74-Q77 VanDerWaalsContact O-N 3.11Å; S75-Q77 PolarHBondContact O-N 3.35Å |
| 78 | A | 95.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -90.1 | -24.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T39 P74 S75 V81 L82 Y113 | T39-A78 HydrophobicContact CG2-CB 4.34Å; P74-A78 PolarHBondContact O-N 3.44Å; S75-A78 PolarHBondContact O-N 3Å; A78-V81 WeakPolarHBondContact O-CB 3.47Å; A78-V81 PolarHBondContact O-N 2.96Å; A78-L82 PolarHBondContact O-N 3.13Å; A78-Y113 HydrophobicContact CB-CD1 3.85Å; A78-Y113 HydrophobicContact CB-CD2 3.73Å; A78-Y113 HydrophobicContact CB-CE1 3.5Å; A78-Y113 HydrophobicContact CB-CE2 3.37Å; A78-Y113 HydrophobicContact CB-CG 3.94Å |
| 79 | T | 97.1 | Very high | 96 | Very high | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | S75 V81 L82 F83 | S75-T79 VanDerWaalsContact O-CB 3.26Å; S75-T79 WeakPolarHBondContact O-CB 3.32Å; S75-T79 PolarHBondContact O-N 3.04Å; S75-T79 PolarHBondContact O-OG1 2.8Å; T79-V81 VanDerWaalsContact C-N 3.3Å; T79-V81 PolarHBondContact O-N 2.89Å; T79-L82 PolarHBondContact O-N 2.87Å; T79-F83 WeakPolarHBondContact O-CB 3.28Å; T79-F83 PolarHBondContact O-N 2.97Å |
| 80 | P | 97.4 | Very high | 95.7 | Very high | 76 Ų | 76 | 62 Ų | 62 | 49% | 0.494 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 175.4 | -22.6 | 34.4 | 0 | 0 | 0 | 113 | E76 F83 E84 | E76-P80 WeakPolarHBondContact O-CD 3.38Å; P80-F83 PolarHBondContact O-N 2.81Å; P80-E84 PolarHBondContact O-N 2.65Å; P80-E84 VanDerWaalsContact O-N 3.13Å |
| 81 | V | 96.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 177.8 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | T39 A78 T79 F83 E84 I85 | T39-V81 HydrophobicContact CG2-CB 4.31Å; T39-V81 HydrophobicContact CG2-CG1 4.09Å; A78-V81 WeakPolarHBondContact O-CB 3.47Å; A78-V81 PolarHBondContact O-N 2.96Å; T79-V81 VanDerWaalsContact C-N 3.3Å; T79-V81 PolarHBondContact O-N 2.89Å; V81-F83 VanDerWaalsContact C-N 3.31Å; V81-F83 PolarHBondContact O-N 2.9Å; V81-E84 PolarHBondContact O-N 3.18Å; V81-I85 HydrophobicContact CG1-CD1 4.07Å; V81-I85 VanDerWaalsContact O-CG1 3.28Å; V81-I85 WeakPolarHBondContact O-CG1 3.48Å; V81-I85 PolarHBondContact O-N 3.11Å; V81-I85 VanDerWaalsContact O-N 3.16Å |
| 82 | L | 97.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 175.9 | 179.2 | 63.2 | 0 | 0 | 0 | 111 | T39 W48 A78 T79 E84 I85 L86 Y113 | T39-L82 HydrophobicContact CG2-CB 4.4Å; W48-L82 HydrophobicContact CH2-CD1 4.32Å; W48-L82 HydrophobicContact CZ2-CD1 3.49Å; W48-L82 VanDerWaalsContact CZ2-CD1 3.49Å; A78-L82 PolarHBondContact O-N 3.13Å; T79-L82 PolarHBondContact O-N 2.87Å; L82-E84 PolarHBondContact O-N 2.98Å; L82-I85 WeakPolarHBondContact O-CB 3.22Å; L82-I85 PolarHBondContact O-N 3.32Å; L82-L86 HydrophobicContact CD1-CD1 4.03Å; L82-L86 HydrophobicContact CD1-CD2 4.34Å; L82-L86 HydrophobicContact CD1-CG 3.99Å; L82-L86 HydrophobicContact CD2-CD1 4.33Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 4.17Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.22Å; L82-L86 PolarHBondContact O-N 2.78Å; L82-Y113 HydrophobicContact CD2-CD2 4.37Å |
| 83 | F | 97.1 | Very high | 94 | Very high | 99 Ų | 99 | 69.4 Ų | 69.4 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 178.4 | 180 | -95.1 | 0 | 0 | 0 | 112.5 | T79 P80 V81 I85 L86 K87 L108 | T79-F83 WeakPolarHBondContact O-CB 3.28Å; T79-F83 PolarHBondContact O-N 2.97Å; P80-F83 PolarHBondContact O-N 2.81Å; V81-F83 VanDerWaalsContact C-N 3.31Å; V81-F83 PolarHBondContact O-N 2.9Å; F83-I85 VanDerWaalsContact C-N 3.33Å; F83-I85 PolarHBondContact O-N 2.87Å; F83-L86 PolarHBondContact O-N 3.48Å; F83-K87 HydrophobicContact CE1-CD 4.26Å; F83-K87 WeakPolarHBondContact O-CB 3.44Å; F83-K87 PolarHBondContact O-N 3.04Å; F83-L108 HydrophobicContact CD2-CD2 4.04Å; F83-L108 HydrophobicContact CE2-CD1 4.33Å; F83-L108 HydrophobicContact CE2-CD2 4.1Å |
| 84 | E | 96.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 73.3 Ų | 73.3 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 177.8 | -72 | -57.4 | 133.3 | 0 | 0 | 112.6 | P80 V81 L82 K87 A88 | P80-E84 PolarHBondContact O-N 2.65Å; P80-E84 VanDerWaalsContact O-N 3.13Å; V81-E84 PolarHBondContact O-N 3.18Å; L82-E84 PolarHBondContact O-N 2.98Å; E84-K87 PolarHBondContact O-N 2.7Å; E84-A88 PolarHBondContact O-N 3.31Å |
| 85 | I | 96.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 174.7 | -65.8 | 168.2 | 0 | 0 | 0 | 110.6 | R44 W48 V81 L82 F83 K87 A88 | R44-I85 HydrophobicContact CB-CD1 4.19Å; R44-I85 HydrophobicContact CB-CG1 4.31Å; R44-I85 HydrophobicContact CB-CG2 4.3Å; R44-I85 HydrophobicContact CG-CD1 4.41Å; R44-I85 HydrophobicContact CG-CG1 4.04Å; R44-I85 HydrophobicContact CG-CG2 4.32Å; W48-I85 HydrophobicContact CB-CG2 4.35Å; W48-I85 HydrophobicContact CG-CG2 4.08Å; V81-I85 HydrophobicContact CG1-CD1 4.07Å; V81-I85 VanDerWaalsContact O-CG1 3.28Å; V81-I85 WeakPolarHBondContact O-CG1 3.48Å; V81-I85 PolarHBondContact O-N 3.11Å; V81-I85 VanDerWaalsContact O-N 3.16Å; L82-I85 WeakPolarHBondContact O-CB 3.22Å; L82-I85 PolarHBondContact O-N 3.32Å; F83-I85 VanDerWaalsContact C-N 3.33Å; F83-I85 PolarHBondContact O-N 2.87Å; I85-K87 VanDerWaalsContact C-N 3.3Å; I85-K87 PolarHBondContact O-N 3.22Å; I85-A88 WeakPolarHBondContact O-CB 3.37Å; I85-A88 PolarHBondContact O-N 3.04Å; I85-A88 VanDerWaalsContact O-N 3.16Å |
| 86 | L | 96.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.8 | -32.3 | -178.7 | -64 | 171.9 | 0 | 0 | 0 | 112 | W48 L82 F83 A88 V89 F107 L108 | W48-L86 HydrophobicContact CB-CD2 4.24Å; W48-L86 HydrophobicContact CD2-CD2 3.56Å; W48-L86 HydrophobicContact CE3-CD2 3.5Å; W48-L86 HydrophobicContact CG-CD2 3.91Å; W48-L86 HydrophobicContact CZ3-CD2 4.08Å; L82-L86 HydrophobicContact CD1-CD1 4.03Å; L82-L86 HydrophobicContact CD1-CD2 4.34Å; L82-L86 HydrophobicContact CD1-CG 3.99Å; L82-L86 HydrophobicContact CD2-CD1 4.33Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 4.17Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.22Å; L82-L86 PolarHBondContact O-N 2.78Å; F83-L86 PolarHBondContact O-N 3.48Å; L86-A88 PolarHBondContact O-N 3.21Å; L86-V89 WeakPolarHBondContact O-CG2 3.06Å; L86-V89 PolarHBondContact O-N 2.92Å; L86-F107 HydrophobicContact CD2-CD1 4.29Å; L86-F107 HydrophobicContact CD2-CE1 3.55Å; L86-F107 HydrophobicContact CD2-CZ 4.28Å; L86-L108 HydrophobicContact CB-CD2 3.45Å; L86-L108 VanDerWaalsContact CB-CD2 3.45Å; L86-L108 HydrophobicContact CD1-CD2 4.25Å |
| 87 | K | 94.6 | Very high | 92.2 | Very high | 110 Ų | 110 | 73 Ų | 73 | 48% | 0.478 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.7 | -28.6 | 175.1 | -171.9 | -179.1 | 177.7 | -173.3 | 0 | 112.4 | F83 E84 I85 V89 K104 | F83-K87 HydrophobicContact CE1-CD 4.26Å; F83-K87 WeakPolarHBondContact O-CB 3.44Å; F83-K87 PolarHBondContact O-N 3.04Å; E84-K87 PolarHBondContact O-N 2.7Å; I85-K87 VanDerWaalsContact C-N 3.3Å; I85-K87 PolarHBondContact O-N 3.22Å; K87-V89 VanDerWaalsContact C-N 3.33Å; K87-V89 PolarHBondContact O-N 2.77Å; K87-K104 WeakPolarHBondContact O-CE 3.45Å; K87-K104 PolarHBondContact O-NZ 2.92Å |
| 88 | A | 94.5 | Very high | 92 | Very high | 73 Ų | 73 | 72.7 Ų | 72.7 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E84 I85 L86 | E84-A88 PolarHBondContact O-N 3.31Å; I85-A88 WeakPolarHBondContact O-CB 3.37Å; I85-A88 PolarHBondContact O-N 3.04Å; I85-A88 VanDerWaalsContact O-N 3.16Å; L86-A88 PolarHBondContact O-N 3.21Å |
| 89 | V | 94.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 78.6 Ų | 78.6 | 4% | 0.036 | 42% | 0.415 | C | S | . | . | trans | -63.1 | 151.3 | 179.5 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | W48 F52 L86 K87 K104 | W48-V89 HydrophobicContact CB-CG1 4.32Å; F52-V89 HydrophobicContact CB-CB 4.19Å; F52-V89 HydrophobicContact CB-CG1 4.34Å; F52-V89 HydrophobicContact CB-CG2 4.16Å; F52-V89 HydrophobicContact CD1-CB 3.96Å; F52-V89 HydrophobicContact CD1-CG2 3.67Å; F52-V89 HydrophobicContact CD2-CG2 3.97Å; F52-V89 HydrophobicContact CE1-CG2 4.02Å; F52-V89 HydrophobicContact CE2-CG2 4.3Å; F52-V89 HydrophobicContact CG-CB 4.08Å; F52-V89 HydrophobicContact CG-CG2 3.65Å; F52-V89 HydrophobicContact CZ-CG2 4.32Å; L86-V89 WeakPolarHBondContact O-CG2 3.06Å; L86-V89 PolarHBondContact O-N 2.92Å; K87-V89 VanDerWaalsContact C-N 3.33Å; K87-V89 PolarHBondContact O-N 2.77Å; V89-K104 HydrophobicContact CG2-CD 4.46Å; V89-K104 HydrophobicContact CG2-CG 4.2Å; V89-K104 WeakPolarHBondContact O-CE 3.44Å; V89-K104 PolarHBondContact O-NZ 3.08Å | ||
| 90 | T | 92.4 | Very high | 91.5 | Very high | 84 Ų | 84 | 76.3 Ų | 76.3 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | trans | -128.7 | 146 | -175.2 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | Q49 | Q49-T90 PolarHBondContact NE2-O 3.4Å; Q49-T90 PolarHBondContact OE1-OG1 2.76Å | ||
| 91 | C | 88.7 | Confident | 91.2 | Very high | 26 Ų | 26 | 75.5 Ų | 75.5 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | trans | -81.4 | 157.3 | 171.1 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | F52 V95 C100 | F52-C91 HydrophobicContact CE1-CB 4.45Å; F52-C91 VanDerWaalsContact CE1-SG 3.58Å; C91-V95 HydrophobicContact CB-CB 3.96Å; C91-V95 HydrophobicContact CB-CG1 4.31Å; C91-V95 HydrophobicContact CB-CG2 4.36Å; C91-C100 HydrophobicContact CB-CB 3.74Å; C91-C100 WeakPolarHBondContact CB-SG 3.49Å; C91-C100 WeakPolarHBondContact SG-CA 3.07Å; C91-C100 WeakPolarHBondContact SG-CB 3.38Å; C91-C100 CovalentContact SG-SG 2.02Å; C91-C100 PolarHBondContact SG-SG 3.46Å | ||
| 92 | S | 82.3 | Confident | 91.1 | Very high | 46 Ų | 46 | 77.3 Ų | 77.3 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | trans | -66.4 | 158.8 | 168 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | D94 V95 | S92-D94 WeakPolarHBondContact CB-OD1 3.45Å; S92-D94 PolarHBondContact O-N 3.17Å; S92-D94 VanDerWaalsContact O-N 3.16Å; S92-D94 PolarHBondContact OG-OD1 2.91Å; S92-V95 PolarHBondContact O-N 3.06Å; S92-V95 VanDerWaalsContact O-N 3.13Å | ||
| 93 | K | 79.6 | Confident | 90.9 | Very high | 219 Ų | 219 | 77.5 Ų | 77.5 | 95% | 0.952 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.6 | -172 | -66.2 | -177.3 | 179.9 | 177.4 | 0 | 114.1 | V95 | K93-V95 VanDerWaalsContact C-N 3.32Š|
| 94 | D | 79.8 | Confident | 90.8 | Very high | 134 Ų | 134 | 75.2 Ų | 75.2 | 72% | 0.717 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -12.6 | 177.5 | 55.5 | -58.6 | 0 | 0 | 0 | 113.4 | S92 | S92-D94 WeakPolarHBondContact CB-OD1 3.45Å; S92-D94 PolarHBondContact O-N 3.17Å; S92-D94 VanDerWaalsContact O-N 3.16Å; S92-D94 PolarHBondContact OG-OD1 2.91Å |
| 95 | V | 84 | Confident | 90.7 | Very high | 25 Ų | 25 | 73.7 Ų | 73.7 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -94.9 | 128.4 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | V56 C91 S92 K93 R99 C100 L103 | V56-V95 HydrophobicContact CG1-CG2 4.28Å; C91-V95 HydrophobicContact CB-CB 3.96Å; C91-V95 HydrophobicContact CB-CG1 4.31Å; C91-V95 HydrophobicContact CB-CG2 4.36Å; S92-V95 PolarHBondContact O-N 3.06Å; S92-V95 VanDerWaalsContact O-N 3.13Å; K93-V95 VanDerWaalsContact C-N 3.32Å; V95-R99 HydrophobicContact CG1-CB 4.05Å; V95-R99 HydrophobicContact CG1-CG 4.04Å; V95-C100 HydrophobicContact CG1-CB 4.17Å; V95-L103 HydrophobicContact CG1-CD1 4.25Å |
| 96 | S | 89.3 | Confident | 90.7 | Very high | 69 Ų | 69 | 76.3 Ų | 76.3 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | trans | -61.3 | 151 | 176.1 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | D98 R99 C100 | S96-D98 VanDerWaalsContact C-N 3.32Å; S96-D98 PolarHBondContact O-N 3.26Å; S96-R99 PolarHBondContact O-N 3.5Å; S96-R99 VanDerWaalsContact OG-CB 3.28Å; S96-R99 WeakPolarHBondContact OG-CB 3.45Å; S96-R99 PolarHBondContact OG-N 3.46Å; S96-C100 WeakPolarHBondContact O-CB 3.32Å; S96-C100 PolarHBondContact O-N 3.24Å | ||
| 97 | Q | 89.3 | Confident | 90.7 | Very high | 176 Ų | 176 | 76.1 Ų | 76.1 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.5 | -42.6 | -177.6 | -71.9 | -176 | -18.5 | 0 | 0 | 112.5 | C100 A101 | Q97-C100 WeakPolarHBondContact O-CB 3.36Å; Q97-C100 PolarHBondContact O-N 3.09Å; Q97-A101 PolarHBondContact O-N 2.84Å |
| 98 | D | 90.8 | Very high | 90.8 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 68% | 0.684 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 179 | -60.1 | -33.4 | 0 | 0 | 0 | 111.8 | S96 C100 A101 I102 | S96-D98 VanDerWaalsContact C-N 3.32Å; S96-D98 PolarHBondContact O-N 3.26Å; D98-C100 VanDerWaalsContact C-N 3.3Å; D98-C100 PolarHBondContact O-N 2.8Å; D98-A101 PolarHBondContact O-N 3.08Å; D98-I102 WeakPolarHBondContact O-CG1 3.42Å; D98-I102 PolarHBondContact O-N 3.31Å; D98-I102 VanDerWaalsContact O-N 3.17Å |
| 99 | R | 90.4 | Very high | 90.8 | Very high | 126 Ų | 126 | 76.3 Ų | 76.3 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.8 | -175.3 | 173.9 | 180 | 176.6 | 0.1 | 110.8 | S60 V95 S96 I102 L103 | S60-R99 PolarHBondContact OG-NH2 3.3Å; V95-R99 HydrophobicContact CG1-CB 4.05Å; V95-R99 HydrophobicContact CG1-CG 4.04Å; S96-R99 PolarHBondContact O-N 3.5Å; S96-R99 VanDerWaalsContact OG-CB 3.28Å; S96-R99 WeakPolarHBondContact OG-CB 3.45Å; S96-R99 PolarHBondContact OG-N 3.46Å; R99-I102 PolarHBondContact O-N 3.17Å; R99-L103 HydrophobicContact CG-CD1 3.82Å; R99-L103 HydrophobicContact CG-CG 4.37Å; R99-L103 WeakPolarHBondContact O-CB 3.36Å; R99-L103 VanDerWaalsContact O-CG 3.28Å; R99-L103 WeakPolarHBondContact O-CG 3.17Å; R99-L103 PolarHBondContact O-N 3.34Å |
| 100 | C | 92.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 78.6 Ų | 78.6 | 12% | 0.122 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.8 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | C91 V95 S96 Q97 D98 I102 L103 K104 | C91-C100 HydrophobicContact CB-CB 3.74Å; C91-C100 WeakPolarHBondContact CB-SG 3.49Å; C91-C100 WeakPolarHBondContact SG-CA 3.07Å; C91-C100 WeakPolarHBondContact SG-CB 3.38Å; C91-C100 CovalentContact SG-SG 2.02Å; C91-C100 PolarHBondContact SG-SG 3.46Å; V95-C100 HydrophobicContact CG1-CB 4.17Å; S96-C100 WeakPolarHBondContact O-CB 3.32Å; S96-C100 PolarHBondContact O-N 3.24Å; Q97-C100 WeakPolarHBondContact O-CB 3.36Å; Q97-C100 PolarHBondContact O-N 3.09Å; D98-C100 VanDerWaalsContact C-N 3.3Å; D98-C100 PolarHBondContact O-N 2.8Å; C100-I102 VanDerWaalsContact C-N 3.33Å; C100-I102 PolarHBondContact O-N 3.03Å; C100-L103 PolarHBondContact O-N 2.89Å; C100-K104 WeakPolarHBondContact O-CB 3.48Å; C100-K104 WeakPolarHBondContact O-CG 3.4Å; C100-K104 PolarHBondContact O-N 2.86Å |
| 101 | A | 92.4 | Very high | 91.2 | Very high | 60 Ų | 60 | 75.3 Ų | 75.3 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q97 D98 K104 D105 | Q97-A101 PolarHBondContact O-N 2.84Å; D98-A101 PolarHBondContact O-N 3.08Å; A101-K104 PolarHBondContact O-N 3.34Å; A101-D105 WeakPolarHBondContact O-CB 3.47Å; A101-D105 PolarHBondContact O-N 2.82Å |
| 102 | I | 93.6 | Very high | 91.6 | Very high | 96 Ų | 96 | 77.6 Ų | 77.6 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 176.3 | -64.8 | 166.5 | 0 | 0 | 0 | 111 | D98 R99 C100 K104 D105 Q106 | D98-I102 WeakPolarHBondContact O-CG1 3.42Å; D98-I102 PolarHBondContact O-N 3.31Å; D98-I102 VanDerWaalsContact O-N 3.17Å; R99-I102 PolarHBondContact O-N 3.17Å; C100-I102 VanDerWaalsContact C-N 3.33Å; C100-I102 PolarHBondContact O-N 3.03Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-D105 PolarHBondContact O-N 3.35Å; I102-Q106 HydrophobicContact CG2-CG 4.43Å; I102-Q106 WeakPolarHBondContact O-CB 3.46Å; I102-Q106 WeakPolarHBondContact O-CG 3.03Å; I102-Q106 PolarHBondContact O-N 3.1Å |
| 103 | L | 93.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | -179.3 | -72.1 | 165.8 | 0 | 0 | 0 | 111.9 | F52 Y55 V56 V59 V95 R99 C100 Q106 F107 | F52-L103 HydrophobicContact CE2-CB 4.37Å; F52-L103 HydrophobicContact CZ-CB 4.34Å; Y55-L103 HydrophobicContact CE1-CB 4.5Å; Y55-L103 HydrophobicContact CE1-CD2 4Å; V56-L103 HydrophobicContact CG1-CD1 4.11Å; V56-L103 HydrophobicContact CG2-CB 4.44Å; V56-L103 HydrophobicContact CG2-CD1 4.07Å; V59-L103 HydrophobicContact CG1-CD2 4.09Å; V95-L103 HydrophobicContact CG1-CD1 4.25Å; R99-L103 HydrophobicContact CG-CD1 3.82Å; R99-L103 HydrophobicContact CG-CG 4.37Å; R99-L103 WeakPolarHBondContact O-CB 3.36Å; R99-L103 VanDerWaalsContact O-CG 3.28Å; R99-L103 WeakPolarHBondContact O-CG 3.17Å; R99-L103 PolarHBondContact O-N 3.34Å; C100-L103 PolarHBondContact O-N 2.89Å; L103-Q106 PolarHBondContact O-N 3.2Å; L103-F107 VanDerWaalsContact O-CB 3.28Å; L103-F107 WeakPolarHBondContact O-CB 3.48Å; L103-F107 PolarHBondContact O-N 2.87Å |
| 104 | K | 95.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 68.6 Ų | 68.6 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 175.3 | -75.4 | -176.4 | 64.1 | 166.3 | 0 | 112 | F52 K87 V89 C100 A101 I102 F107 L108 | F52-K104 HydrophobicContact CE1-CG 4.23Å; F52-K104 HydrophobicContact CE2-CG 4.01Å; F52-K104 HydrophobicContact CZ-CG 3.55Å; K87-K104 WeakPolarHBondContact O-CE 3.45Å; K87-K104 PolarHBondContact O-NZ 2.92Å; V89-K104 HydrophobicContact CG2-CD 4.46Å; V89-K104 HydrophobicContact CG2-CG 4.2Å; V89-K104 WeakPolarHBondContact O-CE 3.44Å; V89-K104 PolarHBondContact O-NZ 3.08Å; C100-K104 WeakPolarHBondContact O-CB 3.48Å; C100-K104 WeakPolarHBondContact O-CG 3.4Å; C100-K104 PolarHBondContact O-N 2.86Å; A101-K104 PolarHBondContact O-N 3.34Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 2.8Å; K104-F107 PolarHBondContact O-N 3.07Å; K104-L108 WeakPolarHBondContact O-CG 3.27Å; K104-L108 PolarHBondContact O-N 3.49Å |
| 105 | D | 95.3 | Very high | 94 | Very high | 75 Ų | 75 | 65 Ų | 65 | 40% | 0.401 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.9 | 172.7 | 60.5 | 0 | 0 | 0 | 111.9 | A101 I102 R109 | A101-D105 WeakPolarHBondContact O-CB 3.47Å; A101-D105 PolarHBondContact O-N 2.82Å; I102-D105 PolarHBondContact O-N 3.35Å; D105-R109 PolarHBondContact O-N 3.19Å; D105-R109 IonicContact OD1-CZ 3.23Å; D105-R109 IonicContact OD1-NH1 3.72Å; D105-R109 PolarHBondContact OD1-NH1 3.37Å; D105-R109 IonicContact OD2-CZ 3.74Å; D105-R109 IonicContact OD2-NH1 2.78Å; D105-R109 PolarHBondContact OD2-NH1 3.39Å; D105-R109 IonicContact OD2-NH2 2.86Å; D105-R109 PolarHBondContact OD2-NH2 3Å |
| 106 | Q | 95.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 64.1 Ų | 64.1 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 170 | -71.9 | 173.7 | -16.5 | 0 | 0 | 111.8 | Y55 I102 L103 L108 R109 L110 | Y55-Q106 WeakPolarHBondContact OH-CB 3.06Å; Y55-Q106 PolarHBondContact OH-OE1 2.99Å; Y55-Q106 VanDerWaalsContact OH-OE1 3.08Å; I102-Q106 HydrophobicContact CG2-CG 4.43Å; I102-Q106 WeakPolarHBondContact O-CB 3.46Å; I102-Q106 WeakPolarHBondContact O-CG 3.03Å; I102-Q106 PolarHBondContact O-N 3.1Å; L103-Q106 PolarHBondContact O-N 3.2Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.16Å; Q106-R109 PolarHBondContact O-N 2.87Å; Q106-R109 VanDerWaalsContact O-N 3.08Å; Q106-L110 VanDerWaalsContact O-CG 3.3Å; Q106-L110 WeakPolarHBondContact O-CG 3.29Å; Q106-L110 PolarHBondContact O-N 3.28Å |
| 107 | F | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 179.4 | -174 | -110.8 | 0 | 0 | 0 | 112.3 | W48 F52 Y55 F67 L86 L103 K104 L110 S111 | W48-F107 HydrophobicContact CE3-CZ 4.19Å; F52-F107 HydrophobicContact CB-CD1 4.38Å; F52-F107 HydrophobicContact CB-CE1 3.97Å; F52-F107 HydrophobicContact CB-CE2 4.33Å; F52-F107 HydrophobicContact CB-CZ 3.96Å; F52-F107 HydrophobicContact CD2-CB 3.86Å; F52-F107 AromaticContact CD2-CD1 3.73Å; F52-F107 HydrophobicContact CD2-CD1 3.73Å; F52-F107 AromaticContact CD2-CD2 3.95Å; F52-F107 HydrophobicContact CD2-CD2 3.95Å; F52-F107 HydrophobicContact CD2-CE1 4.18Å; F52-F107 HydrophobicContact CD2-CE2 4.39Å; F52-F107 AromaticContact CD2-CG 3.59Å; F52-F107 HydrophobicContact CD2-CG 3.59Å; F52-F107 HydrophobicContact CE2-CB 3.98Å; F52-F107 HydrophobicContact CE2-CG 4.23Å; F52-F107 HydrophobicContact CG-CD1 4.42Å; F52-F107 HydrophobicContact CG-CE1 4.49Å; Y55-F107 HydrophobicContact CD1-CB 4.23Å; Y55-F107 AromaticContact CD1-CD2 3.93Å; Y55-F107 HydrophobicContact CD1-CD2 3.93Å; Y55-F107 HydrophobicContact CD1-CG 4.49Å; Y55-F107 HydrophobicContact CE1-CB 4.24Å; Y55-F107 AromaticContact CG-CD2 3.99Å; Y55-F107 HydrophobicContact CG-CD2 3.99Å; F67-F107 HydrophobicContact CD1-CE2 4.05Å; F67-F107 HydrophobicContact CD1-CZ 4.47Å; F67-F107 AromaticContact CD2-CD2 3.95Å; F67-F107 HydrophobicContact CD2-CD2 3.95Å; F67-F107 AromaticContact CD2-CE2 3.66Å; F67-F107 HydrophobicContact CD2-CE2 3.66Å; F67-F107 AromaticContact CE1-CE2 3.88Å; F67-F107 HydrophobicContact CE1-CE2 3.88Å; F67-F107 AromaticContact CE2-CD2 3.68Å; F67-F107 HydrophobicContact CE2-CD2 3.68Å; F67-F107 AromaticContact CE2-CE2 3.45Å; F67-F107 HydrophobicContact CE2-CE2 3.45Å; F67-F107 VanDerWaalsContact CE2-CE2 3.45Å; F67-F107 AromaticContact CG-CE2 3.97Å; F67-F107 HydrophobicContact CG-CE2 3.97Å; F67-F107 HydrophobicContact CG-CZ 4.48Å; F67-F107 HydrophobicContact CZ-CD2 4.2Å; F67-F107 AromaticContact CZ-CE2 3.6Å; F67-F107 HydrophobicContact CZ-CE2 3.6Å; L86-F107 HydrophobicContact CD2-CD1 4.29Å; L86-F107 HydrophobicContact CD2-CE1 3.55Å; L86-F107 HydrophobicContact CD2-CZ 4.28Å; L103-F107 VanDerWaalsContact O-CB 3.28Å; L103-F107 WeakPolarHBondContact O-CB 3.48Å; L103-F107 PolarHBondContact O-N 2.87Å; K104-F107 PolarHBondContact O-N 3.07Å; F107-L110 PolarHBondContact O-N 2.94Å; F107-S111 WeakPolarHBondContact O-CB 3.41Å; F107-S111 PolarHBondContact O-N 3.33Å; F107-S111 PolarHBondContact O-OG 2.84Å |
| 108 | L | 96.6 | Very high | 95.1 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 173.6 | -75.9 | 168.2 | 0 | 0 | 0 | 112.2 | F83 L86 K104 Q106 L110 S111 | F83-L108 HydrophobicContact CD2-CD2 4.04Å; F83-L108 HydrophobicContact CE2-CD1 4.33Å; F83-L108 HydrophobicContact CE2-CD2 4.1Å; L86-L108 HydrophobicContact CB-CD2 3.45Å; L86-L108 VanDerWaalsContact CB-CD2 3.45Å; L86-L108 HydrophobicContact CD1-CD2 4.25Å; K104-L108 WeakPolarHBondContact O-CG 3.27Å; K104-L108 PolarHBondContact O-N 3.49Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.16Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.25Å; L108-S111 PolarHBondContact O-N 2.99Å |
| 109 | R | 95.8 | Very high | 95.4 | Very high | 150 Ų | 150 | 57.8 Ų | 57.8 | 57% | 0.566 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.1 | -33.8 | 177.1 | -78.4 | -168.4 | -71.7 | -85.2 | -5 | 113.5 | D105 Q106 S111 | D105-R109 PolarHBondContact O-N 3.19Å; D105-R109 IonicContact OD1-CZ 3.23Å; D105-R109 IonicContact OD1-NH1 3.72Å; D105-R109 PolarHBondContact OD1-NH1 3.37Å; D105-R109 IonicContact OD2-CZ 3.74Å; D105-R109 IonicContact OD2-NH1 2.78Å; D105-R109 PolarHBondContact OD2-NH1 3.39Å; D105-R109 IonicContact OD2-NH2 2.86Å; D105-R109 PolarHBondContact OD2-NH2 3Å; Q106-R109 PolarHBondContact O-N 2.87Å; Q106-R109 VanDerWaalsContact O-N 3.08Å; R109-S111 PolarHBondContact O-N 2.73Å |
| 110 | L | 96.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -5.2 | 178 | -63.7 | 174.4 | 0 | 0 | 0 | 112.7 | Y55 F67 Q106 F107 L108 | Y55-L110 HydrophobicContact CD2-CD1 4.44Å; Y55-L110 HydrophobicContact CE2-CD1 3.66Å; F67-L110 HydrophobicContact CD2-CB 4.16Å; F67-L110 PolarHBondContact N-O 3Å; Q106-L110 VanDerWaalsContact O-CG 3.3Å; Q106-L110 WeakPolarHBondContact O-CG 3.29Å; Q106-L110 PolarHBondContact O-N 3.28Å; F107-L110 PolarHBondContact O-N 2.94Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.25Å |
| 111 | S | 97.8 | Very high | 96 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.2 | -174.3 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | F67 F107 L108 R109 | F67-S111 WeakPolarHBondContact CB-OG 3.22Å; F67-S111 CarbonylContact O-C 3.51Å; F67-S111 VanDerWaalsContact O-CA 3.25Å; F67-S111 WeakPolarHBondContact O-CA 3.34Å; F107-S111 WeakPolarHBondContact O-CB 3.41Å; F107-S111 PolarHBondContact O-N 3.33Å; F107-S111 PolarHBondContact O-OG 2.84Å; L108-S111 PolarHBondContact O-N 2.99Å; R109-S111 PolarHBondContact O-N 2.73Å |
| 112 | Q | 97.4 | Very high | 96.3 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.3 | 178.4 | -61.6 | -177.7 | 5.1 | 0 | 0 | 111.3 | F67 Y68 G69 R114 H128 | F67-Q112 PolarHBondContact O-N 2.8Å; Y68-Q112 CarbonylContact C-O 3.56Å; Y68-Q112 VanDerWaalsContact CA-O 3.25Å; Y68-Q112 WeakPolarHBondContact CA-O 3.28Å; Y68-Q112 HydrophobicContact CD1-CB 4.31Å; G69-Q112 PolarHBondContact N-O 3.33Å; Q112-R114 VanDerWaalsContact OE1-NH2 3.07Å; Q112-H128 PolarHBondContact OE1-NE2 3.03Å |
| 113 | Y | 98 | Very high | 96.5 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 140.6 | 169.1 | -176.3 | -86.6 | 0 | 0 | 0 | 110.8 | T39 G69 G71 S73 A78 L82 Q115 | T39-Y113 HydrophobicContact CG2-CD2 4.29Å; T39-Y113 HydrophobicContact CG2-CE2 4.08Å; G69-Y113 CarbonylContact O-C 3.53Å; G69-Y113 VanDerWaalsContact O-CA 3.28Å; G69-Y113 WeakPolarHBondContact O-CA 3.4Å; G69-Y113 WeakPolarHBondContact O-CD2 3.4Å; G71-Y113 VanDerWaalsContact C-OH 3.23Å; G71-Y113 VanDerWaalsContact CA-OH 3.26Å; G71-Y113 WeakPolarHBondContact CA-OH 3.45Å; G71-Y113 PolarHBondContact N-OH 2.78Å; G71-Y113 PolarHBondContact O-OH 3.35Å; S73-Y113 PolarHBondContact N-OH 2.81Å; S73-Y113 WeakPolarHBondContact O-CE1 3.39Å; S73-Y113 PolarHBondContact O-OH 2.78Å; A78-Y113 HydrophobicContact CB-CD1 3.85Å; A78-Y113 HydrophobicContact CB-CD2 3.73Å; A78-Y113 HydrophobicContact CB-CE1 3.5Å; A78-Y113 HydrophobicContact CB-CE2 3.37Å; A78-Y113 HydrophobicContact CB-CG 3.94Å; L82-Y113 HydrophobicContact CD2-CD2 4.37Å; Y113-Q115 HydrophobicContact CE1-CB 4.48Å |
| 114 | R | 97 | Very high | 96.6 | Very high | 66 Ų | 66 | 59 Ų | 59 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.9 | 171.4 | -63.2 | -68.2 | 177.8 | 173.6 | -5.8 | 109.5 | Y68 G69 G70 G71 Q112 L116 L125 H128 | Y68-R114 HydrophobicContact CD1-CG 4.2Å; G69-R114 PolarHBondContact O-N 2.83Å; G70-R114 WeakPolarHBondContact CA-O 3.32Å; G71-R114 PolarHBondContact N-O 2.99Å; Q112-R114 VanDerWaalsContact OE1-NH2 3.07Å; R114-L116 HydrophobicContact CB-CD2 4.47Å; R114-L116 PolarHBondContact O-N 2.89Å; R114-L125 HydrophobicContact CG-CD1 4.05Å; R114-H128 PolarHBondContact NH2-CD2 2.93Å; R114-H128 VanDerWaalsContact NH2-CD2 3.33Å; R114-H128 PolarHBondContact NH2-CE1 3.34Å; R114-H128 PolarHBondContact NH2-ND1 3.45Å; R114-H128 PolarHBondContact NH2-NE2 3.47Å |
| 115 | Q | 97.3 | Very high | 96.8 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 132 | 168.3 | -173.6 | 170.1 | 23.8 | 0 | 0 | 108.5 | G71 L72 Y113 K117 D121 | G71-Q115 WeakPolarHBondContact O-CA 3.42Å; L72-Q115 PolarHBondContact O-NE2 3.35Å; Y113-Q115 HydrophobicContact CE1-CB 4.48Å; Q115-K117 HydrophobicContact CG-CB 4.44Å; Q115-D121 WeakPolarHBondContact O-CB 3.46Å |
| 116 | L | 96.7 | Very high | 96.8 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -133.9 | 65.3 | -176.3 | -66.7 | -174.2 | 0 | 0 | 0 | 110.3 | V34 V36 G71 R114 Y122 L125 | V34-L116 HydrophobicContact CG1-CD1 3.92Å; V36-L116 HydrophobicContact CG2-CD1 4.24Å; G71-L116 PolarHBondContact O-N 2.74Å; R114-L116 HydrophobicContact CB-CD2 4.47Å; R114-L116 PolarHBondContact O-N 2.89Å; L116-Y122 HydrophobicContact CB-CD2 4.32Å; L116-Y122 HydrophobicContact CB-CE2 3.67Å; L116-Y122 HydrophobicContact CD1-CE1 4.47Å; L116-Y122 HydrophobicContact CD2-CD2 4.14Å; L116-Y122 HydrophobicContact CD2-CE2 4.27Å; L116-Y122 HydrophobicContact CD2-CG 4.34Å; L116-Y122 HydrophobicContact CG-CE2 4.42Å; L116-L125 HydrophobicContact CD1-CD2 4.25Å; L116-L125 HydrophobicContact CD2-CB 4.14Å; L116-L125 HydrophobicContact CD2-CD2 3.9Å | ||
| 117 | K | 93.8 | Very high | 96.9 | Very high | 124 Ų | 124 | 54.9 Ų | 54.9 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -102.4 | -53.3 | -177.6 | -179.7 | 179.1 | 178.3 | -175.4 | 0 | 111.6 | L72 Q115 D121 K160 | L72-K117 HydrophobicContact CD2-CB 4.11Å; L72-K117 HydrophobicContact CD2-CG 4.14Å; Q115-K117 HydrophobicContact CG-CB 4.44Å; K117-D121 WeakPolarHBondContact CA-OD2 3.42Å; K117-D121 WeakPolarHBondContact CB-OD2 3.42Å; K117-D121 PolarHBondContact N-OD2 3.27Å; K117-K160 PolarHBondContact O-NZ 3.06Å; K117-K160 VanDerWaalsContact O-NZ 3.12Å |
| 118 | T | 96.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -101.4 | 179.5 | -173.7 | 75.4 | 0 | 0 | 0 | 0 | 111.9 | E120 D121 Y122 | T118-E120 WeakPolarHBondContact CB-OE2 3.39Å; T118-E120 PolarHBondContact OG1-N 3.4Å; T118-E120 PolarHBondContact OG1-OE2 2.9Å; T118-D121 PolarHBondContact N-OD2 2.82Å; T118-D121 PolarHBondContact OG1-N 3.38Å; T118-Y122 WeakPolarHBondContact O-CD2 3.37Å |
| 119 | L | 96.6 | Very high | 96.8 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 174.6 | 176.9 | 61.7 | 0 | 0 | 0 | 111 | D121 Y122 Q123 K160 | L119-D121 VanDerWaalsContact C-N 3.26Å; L119-D121 PolarHBondContact O-N 3.33Å; L119-Y122 PolarHBondContact O-N 2.81Å; L119-Q123 HydrophobicContact CG-CG 4.45Å; L119-Q123 WeakPolarHBondContact O-CG 3.5Å; L119-Q123 PolarHBondContact O-N 3.13Å; L119-K160 HydrophobicContact CD1-CB 4.38Å; L119-K160 HydrophobicContact CD1-CG 4.1Å |
| 120 | E | 97.6 | Very high | 96.7 | Very high | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -38.9 | 178.9 | -60.3 | 73.3 | -160.3 | 0 | 0 | 111.3 | T118 Y122 Q123 E124 | T118-E120 WeakPolarHBondContact CB-OE2 3.39Å; T118-E120 PolarHBondContact OG1-N 3.4Å; T118-E120 PolarHBondContact OG1-OE2 2.9Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 3.25Å; E120-Q123 PolarHBondContact O-N 2.84Å; E120-E124 WeakPolarHBondContact O-CB 3.32Å; E120-E124 PolarHBondContact O-N 2.99Å |
| 121 | D | 97.6 | Very high | 96.7 | Very high | 39 Ų | 39 | 53 Ų | 53 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 174.7 | -70.8 | -27.2 | 0 | 0 | 0 | 112.4 | Q115 K117 T118 L119 L125 | Q115-D121 WeakPolarHBondContact O-CB 3.46Å; K117-D121 WeakPolarHBondContact CA-OD2 3.42Å; K117-D121 WeakPolarHBondContact CB-OD2 3.42Å; K117-D121 PolarHBondContact N-OD2 3.27Å; T118-D121 PolarHBondContact N-OD2 2.82Å; T118-D121 PolarHBondContact OG1-N 3.38Å; L119-D121 VanDerWaalsContact C-N 3.26Å; L119-D121 PolarHBondContact O-N 3.33Å; D121-L125 PolarHBondContact O-N 2.63Å |
| 122 | Y | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75.8 | -35.1 | 179.1 | -76.9 | -111.9 | 0 | 0 | 0 | 111.6 | L116 T118 L119 E120 E124 L125 A126 V157 K160 I161 S164 C165 | L116-Y122 HydrophobicContact CB-CD2 4.32Å; L116-Y122 HydrophobicContact CB-CE2 3.67Å; L116-Y122 HydrophobicContact CD1-CE1 4.47Å; L116-Y122 HydrophobicContact CD2-CD2 4.14Å; L116-Y122 HydrophobicContact CD2-CE2 4.27Å; L116-Y122 HydrophobicContact CD2-CG 4.34Å; L116-Y122 HydrophobicContact CG-CE2 4.42Å; T118-Y122 WeakPolarHBondContact O-CD2 3.37Å; L119-Y122 PolarHBondContact O-N 2.81Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 3.25Å; Y122-E124 VanDerWaalsContact C-N 3.32Å; Y122-L125 PolarHBondContact O-N 2.55Å; Y122-A126 PolarHBondContact O-N 3.16Å; Y122-V157 HydrophobicContact CE1-CG1 4.32Å; Y122-K160 HydrophobicContact CD1-CB 3.89Å; Y122-K160 HydrophobicContact CD2-CB 4.15Å; Y122-K160 HydrophobicContact CD2-CD 3.91Å; Y122-K160 HydrophobicContact CD2-CG 4.5Å; Y122-K160 HydrophobicContact CE1-CB 4.15Å; Y122-K160 HydrophobicContact CE2-CB 4.37Å; Y122-K160 HydrophobicContact CE2-CD 3.74Å; Y122-K160 HydrophobicContact CG-CB 3.89Å; Y122-I161 HydrophobicContact CD1-CG1 4.36Å; Y122-I161 HydrophobicContact CE1-CG1 4.07Å; Y122-S164 WeakPolarHBondContact CB-OG 3.44Å; Y122-C165 PolarHBondContact O-SG 3.31Å |
| 123 | Q | 97.9 | Very high | 96.2 | Very high | 97 Ų | 97 | 50.7 Ų | 50.7 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 171.5 | -69.9 | 173.1 | -22 | 0 | 0 | 111.2 | L119 E120 A126 R127 | L119-Q123 HydrophobicContact CG-CG 4.45Å; L119-Q123 WeakPolarHBondContact O-CG 3.5Å; L119-Q123 PolarHBondContact O-N 3.13Å; E120-Q123 PolarHBondContact O-N 2.84Å; Q123-A126 PolarHBondContact O-N 3.28Å; Q123-R127 WeakPolarHBondContact O-CB 3.48Å; Q123-R127 PolarHBondContact O-N 3.35Å |
| 124 | E | 97.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.4 | 178.1 | 57.3 | -163.8 | 0 | 0 | 111.9 | E120 Y122 R127 H128 | E120-E124 WeakPolarHBondContact O-CB 3.32Å; E120-E124 PolarHBondContact O-N 2.99Å; Y122-E124 VanDerWaalsContact C-N 3.32Å; E124-R127 PolarHBondContact O-N 2.83Å; E124-R127 IonicContact OE1-CZ 2.67Å; E124-R127 IonicContact OE1-NE 3.95Å; E124-R127 IonicContact OE1-NH2 4Å; E124-R127 PolarHBondContact OE1-NH2 3.44Å; E124-R127 IonicContact OE2-CZ 3.9Å; E124-R127 IonicContact OE2-NE 2.63Å; E124-R127 PolarHBondContact OE2-NE 3.33Å; E124-R127 IonicContact OE2-NH2 2.73Å; E124-R127 PolarHBondContact OE2-NH2 3.34Å; E124-R127 VanDerWaalsContact OE2-NH2 3.09Å; E124-H128 WeakPolarHBondContact O-CB 3.41Å; E124-H128 PolarHBondContact O-N 3.04Å |
| 125 | L | 97.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 171.7 | 175.3 | 68.1 | 0 | 0 | 0 | 111.5 | V34 Y68 R114 L116 D121 Y122 H128 I129 F145 | V34-L125 HydrophobicContact CG1-CD2 4.11Å; V34-L125 HydrophobicContact CG2-CD2 4.13Å; Y68-L125 HydrophobicContact CD1-CD1 4.12Å; Y68-L125 HydrophobicContact CD2-CD1 4.42Å; Y68-L125 HydrophobicContact CG-CD1 4.06Å; R114-L125 HydrophobicContact CG-CD1 4.05Å; L116-L125 HydrophobicContact CD1-CD2 4.25Å; L116-L125 HydrophobicContact CD2-CB 4.14Å; L116-L125 HydrophobicContact CD2-CD2 3.9Å; D121-L125 PolarHBondContact O-N 2.63Å; Y122-L125 PolarHBondContact O-N 2.55Å; L125-H128 WeakPolarHBondContact O-CB 3.21Å; L125-H128 PolarHBondContact O-N 3Å; L125-I129 HydrophobicContact CD1-CD1 4.04Å; L125-I129 HydrophobicContact CD1-CG1 4.33Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 3.05Å; L125-F145 HydrophobicContact CD2-CE1 4.26Å; L125-F145 HydrophobicContact CD2-CZ 4.48Å |
| 126 | A | 96.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -48.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y122 Q123 H128 I129 E130 S164 | Y122-A126 PolarHBondContact O-N 3.16Å; Q123-A126 PolarHBondContact O-N 3.28Å; A126-H128 VanDerWaalsContact C-N 3.26Å; A126-H128 PolarHBondContact O-N 3.36Å; A126-I129 PolarHBondContact O-N 2.98Å; A126-E130 WeakPolarHBondContact O-CG 3.18Å; A126-E130 PolarHBondContact O-N 3.16Å; A126-S164 WeakPolarHBondContact CB-O 3.47Å |
| 127 | R | 96.8 | Very high | 94.9 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.9 | -41.2 | 175.2 | -170.8 | -170 | 69.9 | 72.6 | 0.9 | 111.5 | Q123 E124 Q131 | Q123-R127 WeakPolarHBondContact O-CB 3.48Å; Q123-R127 PolarHBondContact O-N 3.35Å; E124-R127 PolarHBondContact O-N 2.83Å; E124-R127 IonicContact OE1-CZ 2.67Å; E124-R127 IonicContact OE1-NE 3.95Å; E124-R127 IonicContact OE1-NH2 4Å; E124-R127 PolarHBondContact OE1-NH2 3.44Å; E124-R127 IonicContact OE2-CZ 3.9Å; E124-R127 IonicContact OE2-NE 2.63Å; E124-R127 PolarHBondContact OE2-NE 3.33Å; E124-R127 IonicContact OE2-NH2 2.73Å; E124-R127 PolarHBondContact OE2-NH2 3.34Å; E124-R127 VanDerWaalsContact OE2-NH2 3.09Å; R127-Q131 WeakPolarHBondContact O-CB 3.15Å; R127-Q131 VanDerWaalsContact O-CG 3.26Å; R127-Q131 WeakPolarHBondContact O-CG 3.44Å; R127-Q131 PolarHBondContact O-N 2.9Å |
| 128 | H | 96.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 178.1 | 178.5 | 59.9 | 0 | 0 | 0 | 112.5 | Y68 Q112 R114 E124 L125 A126 E130 Q131 Q132 | Y68-H128 AromaticContact CE1-CD2 3.7Å; Y68-H128 AromaticContact CE1-NE2 3.84Å; Q112-H128 PolarHBondContact OE1-NE2 3.03Å; R114-H128 PolarHBondContact NH2-CD2 2.93Å; R114-H128 VanDerWaalsContact NH2-CD2 3.33Å; R114-H128 PolarHBondContact NH2-CE1 3.34Å; R114-H128 PolarHBondContact NH2-ND1 3.45Å; R114-H128 PolarHBondContact NH2-NE2 3.47Å; E124-H128 WeakPolarHBondContact O-CB 3.41Å; E124-H128 PolarHBondContact O-N 3.04Å; L125-H128 WeakPolarHBondContact O-CB 3.21Å; L125-H128 PolarHBondContact O-N 3Å; A126-H128 VanDerWaalsContact C-N 3.26Å; A126-H128 PolarHBondContact O-N 3.36Å; H128-E130 VanDerWaalsContact C-N 3.35Å; H128-E130 PolarHBondContact O-N 2.82Å; H128-Q131 PolarHBondContact O-N 3.36Å; H128-Q132 WeakPolarHBondContact O-CB 3.29Å; H128-Q132 PolarHBondContact O-N 3.33Å |
| 129 | I | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 176.9 | -69.8 | 167.9 | 0 | 0 | 0 | 110.2 | Y68 L125 A126 Q131 Q132 L133 | Y68-I129 HydrophobicContact CE2-CD1 4.09Å; Y68-I129 HydrophobicContact CE2-CG1 3.77Å; L125-I129 HydrophobicContact CD1-CD1 4.04Å; L125-I129 HydrophobicContact CD1-CG1 4.33Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 3.05Å; A126-I129 PolarHBondContact O-N 2.98Å; I129-Q131 PolarHBondContact O-N 2.95Å; I129-Q132 PolarHBondContact O-N 2.68Å; I129-L133 HydrophobicContact CG2-CD1 3.84Å; I129-L133 HydrophobicContact CG2-CG 4.46Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.16Å |
| 130 | E | 94.1 | Very high | 94.2 | Very high | 91 Ų | 91 | 64.6 Ų | 64.6 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 179.8 | -72.7 | 170.3 | -168.5 | 0 | 0 | 112.6 | A126 H128 L133 Q134 | A126-E130 WeakPolarHBondContact O-CG 3.18Å; A126-E130 PolarHBondContact O-N 3.16Å; H128-E130 VanDerWaalsContact C-N 3.35Å; H128-E130 PolarHBondContact O-N 2.82Å; E130-L133 PolarHBondContact O-N 3.36Å; E130-Q134 VanDerWaalsContact O-CG 3.29Å; E130-Q134 WeakPolarHBondContact O-CG 3.32Å; E130-Q134 PolarHBondContact O-N 3.21Å |
| 131 | Q | 94.8 | Very high | 94 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.2 | -77.4 | -176 | -12.3 | 0 | 0 | 112.3 | R127 H128 I129 Q134 Q135 | R127-Q131 WeakPolarHBondContact O-CB 3.15Å; R127-Q131 VanDerWaalsContact O-CG 3.26Å; R127-Q131 WeakPolarHBondContact O-CG 3.44Å; R127-Q131 PolarHBondContact O-N 2.9Å; H128-Q131 PolarHBondContact O-N 3.36Å; I129-Q131 PolarHBondContact O-N 2.95Å; Q131-Q134 PolarHBondContact O-N 3.49Å; Q131-Q135 WeakPolarHBondContact O-CB 2.88Å; Q131-Q135 VanDerWaalsContact O-CG 3.23Å; Q131-Q135 WeakPolarHBondContact O-CG 2.93Å; Q131-Q135 PolarHBondContact O-N 2.93Å |
| 132 | Q | 92.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 178.6 | -170.8 | -176 | -24.9 | 0 | 0 | 111 | S66 Y68 H128 I129 Q134 Q135 E136 | S66-Q132 PolarHBondContact OG-NE2 3.28Å; Y68-Q132 PolarHBondContact OH-OE1 3.18Å; H128-Q132 WeakPolarHBondContact O-CB 3.29Å; H128-Q132 PolarHBondContact O-N 3.33Å; I129-Q132 PolarHBondContact O-N 2.68Å; Q132-Q134 VanDerWaalsContact C-N 3.3Å; Q132-Q134 PolarHBondContact O-N 2.55Å; Q132-Q135 PolarHBondContact O-N 3.49Å; Q132-E136 VanDerWaalsContact CG-OE1 3.27Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.49Å; Q132-E136 PolarHBondContact NE2-OE1 3.39Å; Q132-E136 WeakPolarHBondContact O-CB 3.28Å; Q132-E136 PolarHBondContact O-N 3.07Å |
| 133 | L | 91.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.7 | -44.2 | 176.1 | -71.5 | 166.6 | 0 | 0 | 0 | 112 | H30 I129 E130 G137 M138 E140 | H30-L133 HydrophobicContact CB-CD2 3.8Å; H30-L133 VanDerWaalsContact CD2-CD2 3.45Å; H30-L133 WeakPolarHBondContact CD2-CD2 3.26Å; I129-L133 HydrophobicContact CG2-CD1 3.84Å; I129-L133 HydrophobicContact CG2-CG 4.46Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.16Å; E130-L133 PolarHBondContact O-N 3.36Å; L133-G137 PolarHBondContact O-N 2.99Å; L133-G137 VanDerWaalsContact O-N 3.1Å; L133-M138 HydrophobicContact CD2-CB 3.89Å; L133-M138 PolarHBondContact O-N 3.43Å; L133-E140 HydrophobicContact CD1-CB 3.85Å; L133-E140 HydrophobicContact CD1-CG 3.93Å; L133-E140 HydrophobicContact CD2-CB 4.33Å |
| 134 | Q | 91.9 | Very high | 93.9 | Very high | 152 Ų | 152 | 53.9 Ų | 53.9 | 71% | 0.71 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.8 | -45.2 | 178.3 | -72.6 | 174.2 | 9.7 | 0 | 0 | 112.7 | E130 Q131 Q132 E136 G137 | E130-Q134 VanDerWaalsContact O-CG 3.29Å; E130-Q134 WeakPolarHBondContact O-CG 3.32Å; E130-Q134 PolarHBondContact O-N 3.21Å; Q131-Q134 PolarHBondContact O-N 3.49Å; Q132-Q134 VanDerWaalsContact C-N 3.3Å; Q132-Q134 PolarHBondContact O-N 2.55Å; Q134-E136 VanDerWaalsContact C-N 3.33Å; Q134-E136 PolarHBondContact O-N 3.26Å; Q134-G137 PolarHBondContact O-N 3.05Å |
| 135 | Q | 92.4 | Very high | 93.9 | Very high | 158 Ų | 158 | 50.1 Ų | 50.1 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.8 | -37.6 | -178.2 | -75.7 | 174.6 | 5 | 0 | 0 | 112.5 | Q131 Q132 | Q131-Q135 WeakPolarHBondContact O-CB 2.88Å; Q131-Q135 VanDerWaalsContact O-CG 3.23Å; Q131-Q135 WeakPolarHBondContact O-CG 2.93Å; Q131-Q135 PolarHBondContact O-N 2.93Å; Q132-Q135 PolarHBondContact O-N 3.49Å |
| 136 | E | 89.4 | Confident | 94 | Very high | 114 Ų | 114 | 50 Ų | 50 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.2 | -179.1 | -65.5 | -176 | -143.2 | 0 | 0 | 112.9 | Q132 Q134 M138 | Q132-E136 VanDerWaalsContact CG-OE1 3.27Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.49Å; Q132-E136 PolarHBondContact NE2-OE1 3.39Å; Q132-E136 WeakPolarHBondContact O-CB 3.28Å; Q132-E136 PolarHBondContact O-N 3.07Å; Q134-E136 VanDerWaalsContact C-N 3.33Å; Q134-E136 PolarHBondContact O-N 3.26Å; E136-M138 VanDerWaalsContact C-N 3.27Å; E136-M138 HydrophobicContact CB-CE 3.72Å; E136-M138 HydrophobicContact CB-CG 3.88Å; E136-M138 HydrophobicContact CB-SD 4.31Å; E136-M138 HydrophobicContact CG-CE 4.17Å; E136-M138 PolarHBondContact O-N 3.02Å; E136-M138 WeakPolarHBondContact OE2-CE 3.31Å |
| 137 | G | 87.8 | Confident | 94 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 70% | 0.701 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 30.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L133 Q134 | L133-G137 PolarHBondContact O-N 2.99Å; L133-G137 VanDerWaalsContact O-N 3.1Å; Q134-G137 PolarHBondContact O-N 3.05Å |
| 138 | M | 89.5 | Confident | 94 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 18% | 0.177 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -90.7 | 139.5 | -175.6 | -66.5 | -166 | -72.6 | 0 | 0 | 111.8 | H30 T64 L133 E136 | H30-M138 HydrophobicContact CB-CB 4.08Å; H30-M138 HydrophobicContact CB-SD 4.26Å; H30-M138 VanDerWaalsContact CE1-CE 3.45Å; H30-M138 WeakPolarHBondContact CE1-CE 3.23Å; H30-M138 WeakPolarHBondContact ND1-CE 3.48Å; H30-M138 PolarHBondContact ND1-SD 2.99Å; T64-M138 PolarHBondContact OG1-SD 3.41Å; L133-M138 HydrophobicContact CD2-CB 3.89Å; L133-M138 PolarHBondContact O-N 3.43Å; E136-M138 VanDerWaalsContact C-N 3.27Å; E136-M138 HydrophobicContact CB-CE 3.72Å; E136-M138 HydrophobicContact CB-CG 3.88Å; E136-M138 HydrophobicContact CB-SD 4.31Å; E136-M138 HydrophobicContact CG-CE 4.17Å; E136-M138 PolarHBondContact O-N 3.02Å; E136-M138 WeakPolarHBondContact OE2-CE 3.31Å |
| 139 | T | 89.6 | Confident | 93.8 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 69% | 0.693 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -88.9 | 122.4 | 171.2 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | H30 A141 | H30-T139 PolarHBondContact N-O 2.94Å; T139-A141 PolarHBondContact O-N 3.14Å |
| 140 | E | 93.5 | Very high | 93.4 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 123.9 | 177 | -162.4 | 172.1 | -146.6 | 0 | 0 | 110.6 | L133 R143 T171 | L133-E140 HydrophobicContact CD1-CB 3.85Å; L133-E140 HydrophobicContact CD1-CG 3.93Å; L133-E140 HydrophobicContact CD2-CB 4.33Å; E140-R143 VanDerWaalsContact OE1-CG 3.27Å; E140-R143 WeakPolarHBondContact OE1-CG 3.2Å; E140-R143 IonicContact OE1-CZ 2.57Å; E140-R143 IonicContact OE1-NE 2.77Å; E140-R143 PolarHBondContact OE1-NE 3.31Å; E140-R143 IonicContact OE1-NH2 3.59Å; E140-R143 PolarHBondContact OE1-NH2 3.31Å; E140-R143 IonicContact OE2-CZ 3.14Å; E140-R143 IonicContact OE2-NE 3.78Å; E140-R143 IonicContact OE2-NH2 3.1Å; E140-R143 PolarHBondContact OE2-NH2 2.92Å; E140-T171 HydrophobicContact CB-CG2 4.35Å; E140-T171 HydrophobicContact CG-CG2 3.76Å; E140-T171 PolarHBondContact O-OG1 2.95Å |
| 141 | A | 93.4 | Very high | 93 | Very high | 23 Ų | 23 | 46 Ų | 46 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -36 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H30 V31 T139 W172 | H30-A141 PolarHBondContact O-N 3Å; V31-A141 HydrophobicContact CG2-CB 4.12Å; T139-A141 PolarHBondContact O-N 3.14Å; A141-W172 PolarHBondContact O-N 2.02Å; A141-W172 PolarHBondContact O-NE1 2.85Å |
| 142 | G | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | 161.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | H30 V31 S32 W172 | H30-G142 PolarHBondContact O-N 3.16Å; V31-G142 WeakPolarHBondContact CA-O 3.47Å; S32-G142 PolarHBondContact N-O 3.15Å; S32-G142 VanDerWaalsContact N-O 3.08Å; G142-W172 CarbonylContact C-O 3.58Å; G142-W172 WeakPolarHBondContact CA-O 3.23Å |
| 143 | R | 96.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128 | 171.1 | -64.1 | -174.4 | -174.8 | 170.6 | 5.4 | 110.5 | S32 E140 F145 C165 P167 W172 L173 R174 | S32-R143 WeakPolarHBondContact O-CA 3.42Å; E140-R143 VanDerWaalsContact OE1-CG 3.27Å; E140-R143 WeakPolarHBondContact OE1-CG 3.2Å; E140-R143 IonicContact OE1-CZ 2.57Å; E140-R143 IonicContact OE1-NE 2.77Å; E140-R143 PolarHBondContact OE1-NE 3.31Å; E140-R143 IonicContact OE1-NH2 3.59Å; E140-R143 PolarHBondContact OE1-NH2 3.31Å; E140-R143 IonicContact OE2-CZ 3.14Å; E140-R143 IonicContact OE2-NE 3.78Å; E140-R143 IonicContact OE2-NH2 3.1Å; E140-R143 PolarHBondContact OE2-NH2 2.92Å; R143-F145 HydrophobicContact CB-CE2 4.16Å; R143-C165 VanDerWaalsContact CD-O 3.29Å; R143-C165 WeakPolarHBondContact CD-O 3.1Å; R143-C165 PolarHBondContact NH1-O 3.17Å; R143-P167 HydrophobicContact CG-CB 4.22Å; R143-P167 HydrophobicContact CG-CG 4.42Å; R143-W172 PolarHBondContact N-O 3.28Å; R143-W172 WeakPolarHBondContact O-CZ3 3.34Å; R143-L173 HydrophobicContact CB-CD1 4.11Å; R143-L173 WeakPolarHBondContact O-CA 3.43Å; R143-R174 PolarHBondContact O-N 3.44Å |
| 144 | L | 98.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.3 | 176.6 | -168.1 | 166.2 | 0 | 0 | 0 | 109.6 | S32 V33 V34 F51 W172 R174 V176 I466 | S32-L144 PolarHBondContact O-N 3.41Å; V33-L144 CarbonylContact C-O 3.52Å; V33-L144 WeakPolarHBondContact CA-O 2.91Å; V33-L144 HydrophobicContact CG1-CD2 4.43Å; V33-L144 HydrophobicContact CG2-CB 4.37Å; V34-L144 PolarHBondContact N-O 2.66Å; F51-L144 HydrophobicContact CE1-CD1 4.13Å; F51-L144 HydrophobicContact CE1-CD2 4.11Å; F51-L144 HydrophobicContact CZ-CD2 3.9Å; L144-W172 HydrophobicContact CB-CH2 4.43Å; L144-W172 HydrophobicContact CB-CZ3 4.15Å; L144-R174 CarbonylContact C-O 3.6Å; L144-R174 WeakPolarHBondContact CA-O 3.45Å; L144-V176 HydrophobicContact CD2-CG2 4.01Å; L144-I466 HydrophobicContact CD1-CB 4.46Å; L144-I466 HydrophobicContact CD1-CG2 3.58Å; L144-I466 HydrophobicContact CG-CG2 4.07Å |
| 145 | F | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.1 | 171.7 | -75.6 | -96.4 | 0 | 0 | 0 | 109.9 | V34 V36 L125 R143 L147 I161 C165 L173 R174 V175 V176 | V34-F145 HydrophobicContact CB-CD1 3.65Å; V34-F145 HydrophobicContact CB-CE1 3.69Å; V34-F145 HydrophobicContact CB-CG 4.25Å; V34-F145 HydrophobicContact CB-CZ 4.3Å; V34-F145 HydrophobicContact CG1-CD1 3.84Å; V34-F145 HydrophobicContact CG1-CE1 3.74Å; V34-F145 HydrophobicContact CG2-CD1 4.17Å; V34-F145 HydrophobicContact CG2-CE1 3.74Å; V34-F145 HydrophobicContact CG2-CE2 4.46Å; V34-F145 HydrophobicContact CG2-CZ 3.89Å; V34-F145 CarbonylContact O-C 3.55Å; V34-F145 WeakPolarHBondContact O-CA 3.4Å; V36-F145 HydrophobicContact CG2-CD1 4.31Å; L125-F145 HydrophobicContact CD2-CE1 4.26Å; L125-F145 HydrophobicContact CD2-CZ 4.48Å; R143-F145 HydrophobicContact CB-CE2 4.16Å; F145-L147 HydrophobicContact CB-CD2 4.42Å; F145-I161 HydrophobicContact CB-CD1 3.84Å; F145-I161 HydrophobicContact CD1-CD1 3.6Å; F145-I161 HydrophobicContact CD1-CG1 3.83Å; F145-I161 HydrophobicContact CD2-CD1 4.35Å; F145-I161 HydrophobicContact CD2-CG2 4.11Å; F145-I161 HydrophobicContact CE1-CD1 4.26Å; F145-I161 HydrophobicContact CE1-CG1 3.96Å; F145-I161 HydrophobicContact CE2-CG2 4.13Å; F145-I161 HydrophobicContact CG-CD1 3.66Å; F145-I161 HydrophobicContact CG-CG1 4.14Å; F145-I161 HydrophobicContact CG-CG2 4.48Å; F145-I161 HydrophobicContact CZ-CG1 4.39Å; F145-C165 HydrophobicContact CE1-CB 4.41Å; F145-C165 HydrophobicContact CE2-CB 4.11Å; F145-C165 HydrophobicContact CZ-CB 3.56Å; F145-L173 HydrophobicContact CD2-CD1 3.8Å; F145-L173 HydrophobicContact CE2-CD1 4.12Å; F145-R174 PolarHBondContact N-O 2.97Å; F145-V175 HydrophobicContact CB-CG1 4.43Å; F145-V175 HydrophobicContact CB-CG2 4.36Å; F145-V175 CarbonylContact O-C 3.57Å; F145-V175 VanDerWaalsContact O-CA 3.31Å; F145-V175 WeakPolarHBondContact O-CA 3.37Å; F145-V176 PolarHBondContact O-N 3.3Å |
| 146 | Y | 98.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115 | 173.4 | -157.4 | -63.6 | 0 | 0 | 0 | 109.9 | V34 V36 L47 F51 S148 V176 E178 Y459 I463 | V34-Y146 PolarHBondContact O-N 3.46Å; V36-Y146 PolarHBondContact N-O 2.85Å; L47-Y146 HydrophobicContact CD1-CD1 3.51Å; L47-Y146 HydrophobicContact CD1-CE1 3.47Å; L47-Y146 VanDerWaalsContact CD1-CE1 3.47Å; L47-Y146 HydrophobicContact CD1-CG 4.11Å; L47-Y146 HydrophobicContact CD2-CD1 4.41Å; L47-Y146 HydrophobicContact CD2-CD2 4.49Å; L47-Y146 HydrophobicContact CD2-CE1 3.73Å; L47-Y146 HydrophobicContact CD2-CE2 3.79Å; L47-Y146 WeakPolarHBondContact CD2-OH 3.48Å; L47-Y146 HydrophobicContact CG-CE1 4.26Å; F51-Y146 HydrophobicContact CE2-CD2 4.12Å; F51-Y146 HydrophobicContact CE2-CG 4.46Å; F51-Y146 AromaticContact CZ-CD2 3.8Å; F51-Y146 HydrophobicContact CZ-CD2 3.8Å; F51-Y146 HydrophobicContact CZ-CG 4.38Å; Y146-S148 PolarHBondContact O-N 3.32Å; Y146-V176 HydrophobicContact CD1-CB 4.45Å; Y146-V176 HydrophobicContact CD2-CB 3.74Å; Y146-V176 HydrophobicContact CD2-CG1 3.8Å; Y146-V176 HydrophobicContact CD2-CG2 3.89Å; Y146-V176 HydrophobicContact CE1-CG1 4.26Å; Y146-V176 HydrophobicContact CE2-CB 4.03Å; Y146-V176 HydrophobicContact CE2-CG1 3.53Å; Y146-V176 HydrophobicContact CE2-CG2 4.35Å; Y146-V176 HydrophobicContact CG-CB 3.98Å; Y146-V176 HydrophobicContact CG-CG1 4.3Å; Y146-V176 HydrophobicContact CG-CG2 4.44Å; Y146-E178 HydrophobicContact CE1-CG 4.02Å; Y146-E178 PolarHBondContact OH-OE1 2.86Å; Y146-Y459 WeakPolarHBondContact OH-CD1 3.04Å; Y146-Y459 VanDerWaalsContact OH-CE1 3.27Å; Y146-Y459 WeakPolarHBondContact OH-CE1 3.44Å; Y146-I463 HydrophobicContact CE2-CG1 4.48Å |
| 147 | L | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 81.5 | -177.3 | -54.2 | -160.6 | 0 | 0 | 0 | 111 | V36 F145 V149 Y154 V157 I161 V175 V176 L177 | V36-L147 HydrophobicContact CB-CD2 3.89Å; V36-L147 HydrophobicContact CG2-CD2 3.65Å; F145-L147 HydrophobicContact CB-CD2 4.42Å; L147-V149 HydrophobicContact CB-CG2 4.18Å; L147-V149 PolarHBondContact O-N 2.69Å; L147-V149 VanDerWaalsContact O-N 3.07Å; L147-Y154 HydrophobicContact CB-CD1 4.03Å; L147-Y154 HydrophobicContact CB-CE1 3.78Å; L147-Y154 HydrophobicContact CD1-CD1 3.85Å; L147-Y154 HydrophobicContact CD1-CE1 4.44Å; L147-V157 HydrophobicContact CD1-CB 4.25Å; L147-V157 HydrophobicContact CD1-CG1 3.89Å; L147-V157 HydrophobicContact CD2-CG1 3.62Å; L147-V157 HydrophobicContact CG-CG1 4.45Å; L147-I161 HydrophobicContact CD2-CD1 4.21Å; L147-V175 HydrophobicContact CD1-CG1 4.03Å; L147-V175 HydrophobicContact CD2-CG1 4.5Å; L147-V175 HydrophobicContact CG-CG1 3.98Å; L147-V176 WeakPolarHBondContact CB-O 3.42Å; L147-V176 PolarHBondContact N-O 3.17Å; L147-L177 HydrophobicContact CB-CD2 4.36Å; L147-L177 HydrophobicContact CD1-CD2 3.61Å; L147-L177 HydrophobicContact CG-CD2 4.12Å |
| 148 | S | 95.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | trans | -83.8 | 50.3 | 172 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | V36 Y146 | V36-S148 CarbonylContact O-C 3.54Å; V36-S148 WeakPolarHBondContact O-CA 3.2Å; V36-S148 WeakPolarHBondContact O-CB 3.16Å; V36-S148 PolarHBondContact O-N 2.86Å; Y146-S148 PolarHBondContact O-N 3.32Å | ||
| 149 | V | 92.1 | Very high | 93.9 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -129.2 | 162.5 | -178.2 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | V36 L147 A153 Y154 | V36-V149 HydrophobicContact CG1-CG1 3.91Å; L147-V149 HydrophobicContact CB-CG2 4.18Å; L147-V149 PolarHBondContact O-N 2.69Å; L147-V149 VanDerWaalsContact O-N 3.07Å; V149-A153 HydrophobicContact CB-CB 4.5Å; V149-A153 HydrophobicContact CG2-CB 4.08Å; V149-Y154 HydrophobicContact CG2-CD1 3.96Å; V149-Y154 HydrophobicContact CG2-CE1 3.8Å; V149-Y154 VanDerWaalsContact O-CE1 3.24Å; V149-Y154 WeakPolarHBondContact O-CE1 3.09Å; V149-Y154 PolarHBondContact O-OH 3.3Å |
| 150 | P | 87 | Confident | 94.3 | Very high | 78 Ų | 78 | 32 Ų | 32 | 51% | 0.506 | 18% | 0.182 | S | C | . | . | trans | -58.3 | 146.9 | 175.9 | -25.7 | 35.9 | 0 | 0 | 0 | 113 | F152 A153 | P150-F152 VanDerWaalsContact C-N 3.26Å; P150-F152 HydrophobicContact CB-CD1 3.58Å; P150-F152 HydrophobicContact CB-CE1 3.27Å; P150-F152 HydrophobicContact CB-CG 4.46Å; P150-F152 HydrophobicContact CB-CZ 3.93Å; P150-F152 HydrophobicContact CG-CE1 3.83Å; P150-F152 HydrophobicContact CG-CZ 4.15Å; P150-F152 PolarHBondContact O-N 2.89Å; P150-F152 VanDerWaalsContact O-N 3.15Å; P150-A153 WeakPolarHBondContact O-CB 3.22Å; P150-A153 PolarHBondContact O-N 2.82Å | ||
| 151 | A | 85.9 | Confident | 94.5 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -57.9 | -32.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A153 Y154 P180 | A151-A153 PolarHBondContact O-N 2.74Å; A151-A153 VanDerWaalsContact O-N 3.11Å; A151-Y154 HydrophobicContact CB-CD2 4.1Å; A151-Y154 HydrophobicContact CB-CE2 3.88Å; A151-Y154 WeakPolarHBondContact O-CB 3.39Å; A151-Y154 PolarHBondContact O-N 2.76Å; A151-P180 HydrophobicContact CB-CG 4.26Å; A151-P180 VanDerWaalsContact CB-O 3.32Å; A151-P180 WeakPolarHBondContact CB-O 2.78Å |
| 152 | F | 84.9 | Confident | 94.6 | Very high | 182 Ų | 182 | 32.2 Ų | 32.2 | 80% | 0.798 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -61.1 | -20.5 | 176.8 | 70.3 | -104.3 | 0 | 0 | 0 | 113.2 | P150 | P150-F152 VanDerWaalsContact C-N 3.26Å; P150-F152 HydrophobicContact CB-CD1 3.58Å; P150-F152 HydrophobicContact CB-CE1 3.27Å; P150-F152 HydrophobicContact CB-CG 4.46Å; P150-F152 HydrophobicContact CB-CZ 3.93Å; P150-F152 HydrophobicContact CG-CE1 3.83Å; P150-F152 HydrophobicContact CG-CZ 4.15Å; P150-F152 PolarHBondContact O-N 2.89Å; P150-F152 VanDerWaalsContact O-N 3.15Å |
| 153 | A | 90.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -87 | -12.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V149 P150 A151 A155 G156 V157 | V149-A153 HydrophobicContact CB-CB 4.5Å; V149-A153 HydrophobicContact CG2-CB 4.08Å; P150-A153 WeakPolarHBondContact O-CB 3.22Å; P150-A153 PolarHBondContact O-N 2.82Å; A151-A153 PolarHBondContact O-N 2.74Å; A151-A153 VanDerWaalsContact O-N 3.11Å; A153-A155 PolarHBondContact O-N 3.09Å; A153-G156 PolarHBondContact O-N 3.42Å; A153-V157 WeakPolarHBondContact O-CB 3.43Å; A153-V157 VanDerWaalsContact O-CG2 3.3Å; A153-V157 WeakPolarHBondContact O-CG2 3.46Å; A153-V157 PolarHBondContact O-N 3.24Å |
| 154 | Y | 94.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -47.9 | -170.7 | -68.3 | -19.1 | 0 | 0 | 0 | 113.5 | L147 V149 A151 G156 V157 A158 L177 E178 | L147-Y154 HydrophobicContact CB-CD1 4.03Å; L147-Y154 HydrophobicContact CB-CE1 3.78Å; L147-Y154 HydrophobicContact CD1-CD1 3.85Å; L147-Y154 HydrophobicContact CD1-CE1 4.44Å; V149-Y154 HydrophobicContact CG2-CD1 3.96Å; V149-Y154 HydrophobicContact CG2-CE1 3.8Å; V149-Y154 VanDerWaalsContact O-CE1 3.24Å; V149-Y154 WeakPolarHBondContact O-CE1 3.09Å; V149-Y154 PolarHBondContact O-OH 3.3Å; A151-Y154 HydrophobicContact CB-CD2 4.1Å; A151-Y154 HydrophobicContact CB-CE2 3.88Å; A151-Y154 WeakPolarHBondContact O-CB 3.39Å; A151-Y154 PolarHBondContact O-N 2.76Å; Y154-G156 PolarHBondContact O-N 2.75Å; Y154-V157 PolarHBondContact O-N 3Å; Y154-A158 VanDerWaalsContact O-CB 3.24Å; Y154-A158 WeakPolarHBondContact O-CB 3.42Å; Y154-A158 PolarHBondContact O-N 3.01Å; Y154-L177 HydrophobicContact CD1-CD2 4.29Å; Y154-L177 HydrophobicContact CD2-CD2 4.17Å; Y154-L177 HydrophobicContact CE2-CB 4.26Å; Y154-L177 HydrophobicContact CE2-CD2 4.49Å; Y154-L177 HydrophobicContact CG-CD2 4.08Å; Y154-E178 WeakPolarHBondContact CE2-O 3.27Å; Y154-E178 WeakPolarHBondContact OH-CA 3.25Å; Y154-E178 WeakPolarHBondContact OH-CB 3.44Å; Y154-E178 PolarHBondContact OH-N 3.43Å; Y154-E178 VanDerWaalsContact OH-N 3.08Å; Y154-E178 PolarHBondContact OH-O 2.93Å |
| 155 | A | 93.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A153 V157 A158 E159 E194 | A153-A155 PolarHBondContact O-N 3.09Å; A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 3.12Å; A155-A158 PolarHBondContact O-N 3.22Å; A155-E159 PolarHBondContact O-N 3.44Å; A155-E194 HydrophobicContact CB-CB 3.91Å |
| 156 | G | 95.3 | Very high | 94.2 | Very high | 31 Ų | 31 | 40 Ų | 40 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.8 | -29.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | A153 Y154 K160 | A153-G156 PolarHBondContact O-N 3.42Å; Y154-G156 PolarHBondContact O-N 2.75Å; G156-K160 WeakPolarHBondContact O-CD 3.42Å; G156-K160 WeakPolarHBondContact O-CG 3.45Å; G156-K160 PolarHBondContact O-N 3.29Å |
| 157 | V | 97.2 | Very high | 93.9 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.1 | -42.1 | 172.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | Y122 L147 A153 Y154 A155 E159 K160 I161 | Y122-V157 HydrophobicContact CE1-CG1 4.32Å; L147-V157 HydrophobicContact CD1-CB 4.25Å; L147-V157 HydrophobicContact CD1-CG1 3.89Å; L147-V157 HydrophobicContact CD2-CG1 3.62Å; L147-V157 HydrophobicContact CG-CG1 4.45Å; A153-V157 WeakPolarHBondContact O-CB 3.43Å; A153-V157 VanDerWaalsContact O-CG2 3.3Å; A153-V157 WeakPolarHBondContact O-CG2 3.46Å; A153-V157 PolarHBondContact O-N 3.24Å; Y154-V157 PolarHBondContact O-N 3Å; A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 3.12Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3Å; V157-K160 PolarHBondContact O-N 2.76Å; V157-I161 HydrophobicContact CG1-CD1 3.78Å; V157-I161 HydrophobicContact CG1-CG1 4.33Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.47Å |
| 158 | A | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y154 A155 I161 N162 L195 A198 L199 | Y154-A158 VanDerWaalsContact O-CB 3.24Å; Y154-A158 WeakPolarHBondContact O-CB 3.42Å; Y154-A158 PolarHBondContact O-N 3.01Å; A155-A158 PolarHBondContact O-N 3.22Å; A158-I161 PolarHBondContact O-N 2.94Å; A158-N162 WeakPolarHBondContact O-CB 3.35Å; A158-N162 PolarHBondContact O-N 2.77Å; A158-L195 HydrophobicContact CB-CD2 4.01Å; A158-A198 HydrophobicContact CB-CB 3.97Å; A158-L199 HydrophobicContact CB-CD1 3.73Å; A158-L199 HydrophobicContact CB-CG 4.02Å |
| 159 | E | 97.1 | Very high | 92.8 | Very high | 131 Ų | 131 | 51.3 Ų | 51.3 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 175.6 | -173.3 | -179.5 | -168.8 | 0 | 0 | 112.1 | A155 V157 N162 S163 | A155-E159 PolarHBondContact O-N 3.44Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3Å; E159-N162 PolarHBondContact O-N 3.36Å; E159-S163 WeakPolarHBondContact O-CB 3.46Å; E159-S163 PolarHBondContact O-N 3.31Å; E159-S163 PolarHBondContact O-OG 2.96Å |
| 160 | K | 97.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 54 Ų | 54 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -46 | 174.7 | -70.1 | 167.3 | -170.8 | 157.9 | 0 | 111.3 | K117 L119 Y122 G156 V157 N162 S163 S164 | K117-K160 PolarHBondContact O-NZ 3.06Å; K117-K160 VanDerWaalsContact O-NZ 3.12Å; L119-K160 HydrophobicContact CD1-CB 4.38Å; L119-K160 HydrophobicContact CD1-CG 4.1Å; Y122-K160 HydrophobicContact CD1-CB 3.89Å; Y122-K160 HydrophobicContact CD2-CB 4.15Å; Y122-K160 HydrophobicContact CD2-CD 3.91Å; Y122-K160 HydrophobicContact CD2-CG 4.5Å; Y122-K160 HydrophobicContact CE1-CB 4.15Å; Y122-K160 HydrophobicContact CE2-CB 4.37Å; Y122-K160 HydrophobicContact CE2-CD 3.74Å; Y122-K160 HydrophobicContact CG-CB 3.89Å; G156-K160 WeakPolarHBondContact O-CD 3.42Å; G156-K160 WeakPolarHBondContact O-CG 3.45Å; G156-K160 PolarHBondContact O-N 3.29Å; V157-K160 PolarHBondContact O-N 2.76Å; K160-N162 VanDerWaalsContact C-N 3.32Å; K160-N162 PolarHBondContact O-N 2.96Å; K160-S163 PolarHBondContact O-N 2.93Å; K160-S163 PolarHBondContact O-OG 3.49Å; K160-S164 PolarHBondContact O-N 3.44Å; K160-S164 PolarHBondContact O-OG 2.95Å |
| 161 | I | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -57.8 | -47.3 | 176.3 | -68 | 165.9 | 0 | 0 | 0 | 110.4 | Y122 F145 L147 V157 A158 S163 C165 R166 L173 V175 | Y122-I161 HydrophobicContact CD1-CG1 4.36Å; Y122-I161 HydrophobicContact CE1-CG1 4.07Å; F145-I161 HydrophobicContact CB-CD1 3.84Å; F145-I161 HydrophobicContact CD1-CD1 3.6Å; F145-I161 HydrophobicContact CD1-CG1 3.83Å; F145-I161 HydrophobicContact CD2-CD1 4.35Å; F145-I161 HydrophobicContact CD2-CG2 4.11Å; F145-I161 HydrophobicContact CE1-CD1 4.26Å; F145-I161 HydrophobicContact CE1-CG1 3.96Å; F145-I161 HydrophobicContact CE2-CG2 4.13Å; F145-I161 HydrophobicContact CG-CD1 3.66Å; F145-I161 HydrophobicContact CG-CG1 4.14Å; F145-I161 HydrophobicContact CG-CG2 4.48Å; F145-I161 HydrophobicContact CZ-CG1 4.39Å; L147-I161 HydrophobicContact CD2-CD1 4.21Å; V157-I161 HydrophobicContact CG1-CD1 3.78Å; V157-I161 HydrophobicContact CG1-CG1 4.33Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.47Å; A158-I161 PolarHBondContact O-N 2.94Å; I161-S163 PolarHBondContact O-N 3.25Å; I161-C165 HydrophobicContact CG2-CB 4.49Å; I161-C165 CarbonylContact O-C 3.59Å; I161-C165 WeakPolarHBondContact O-CA 3.32Å; I161-C165 PolarHBondContact O-N 3.01Å; I161-R166 PolarHBondContact O-N 3.08Å; I161-L173 HydrophobicContact CG2-CD1 4.28Å; I161-L173 HydrophobicContact CG2-CD2 4.17Å; I161-V175 HydrophobicContact CD1-CG1 4.48Å |
| 162 | N | 96.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -64.3 | -40.2 | -178 | -172.7 | 45.1 | 0 | 0 | 0 | 112.8 | A158 E159 K160 R166 A198 | A158-N162 WeakPolarHBondContact O-CB 3.35Å; A158-N162 PolarHBondContact O-N 2.77Å; E159-N162 PolarHBondContact O-N 3.36Å; K160-N162 VanDerWaalsContact C-N 3.32Å; K160-N162 PolarHBondContact O-N 2.96Å; N162-R166 PolarHBondContact OD1-NE 3.44Å; N162-R166 PolarHBondContact OD1-NH2 3.4Å; N162-A198 HydrophobicContact CB-CB 4.06Å; N162-A198 WeakPolarHBondContact CB-O 3.39Å; N162-A198 PolarHBondContact OD1-O 2.92Å; N162-A198 VanDerWaalsContact OD1-O 3.13Å |
| 163 | S | 95.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -83.2 | -23.6 | -175.8 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | E159 K160 I161 | E159-S163 WeakPolarHBondContact O-CB 3.46Å; E159-S163 PolarHBondContact O-N 3.31Å; E159-S163 PolarHBondContact O-OG 2.96Å; K160-S163 PolarHBondContact O-N 2.93Å; K160-S163 PolarHBondContact O-OG 3.49Å; I161-S163 PolarHBondContact O-N 3.25Å |
| 164 | S | 95.4 | Very high | 94 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -129.2 | -31.1 | -176.5 | 68.6 | 0 | 0 | 0 | 0 | 115.9 | Y122 A126 K160 | Y122-S164 WeakPolarHBondContact CB-OG 3.44Å; A126-S164 WeakPolarHBondContact CB-O 3.47Å; K160-S164 PolarHBondContact O-N 3.44Å; K160-S164 PolarHBondContact O-OG 2.95Å |
| 165 | C | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -111.4 | 3.5 | -171.1 | -59.4 | 0 | 0 | 0 | 0 | 114.6 | Y122 R143 F145 I161 | Y122-C165 PolarHBondContact O-SG 3.31Å; R143-C165 VanDerWaalsContact CD-O 3.29Å; R143-C165 WeakPolarHBondContact CD-O 3.1Å; R143-C165 PolarHBondContact NH1-O 3.17Å; F145-C165 HydrophobicContact CE1-CB 4.41Å; F145-C165 HydrophobicContact CE2-CB 4.11Å; F145-C165 HydrophobicContact CZ-CB 3.56Å; I161-C165 HydrophobicContact CG2-CB 4.49Å; I161-C165 CarbonylContact O-C 3.59Å; I161-C165 WeakPolarHBondContact O-CA 3.32Å; I161-C165 PolarHBondContact O-N 3.01Å |
| 166 | R | 94.4 | Very high | 94.5 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 27% | 0.272 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 127.8 | 176.2 | 179.3 | 171.8 | -80.9 | -76.5 | 1 | 109.6 | I161 N162 A198 E203 | I161-R166 PolarHBondContact O-N 3.08Å; N162-R166 PolarHBondContact OD1-NE 3.44Å; N162-R166 PolarHBondContact OD1-NH2 3.4Å; R166-A198 PolarHBondContact NH2-O 3.23Å; R166-E203 IonicContact CZ-OE1 3.91Å; R166-E203 IonicContact CZ-OE2 3.85Å; R166-E203 IonicContact NH1-OE1 3.24Å; R166-E203 PolarHBondContact NH1-OE1 3.38Å; R166-E203 IonicContact NH1-OE2 3.36Å; R166-E203 IonicContact NH2-OE1 2.73Å; R166-E203 PolarHBondContact NH2-OE1 3.24Å; R166-E203 IonicContact NH2-OE2 3.76Å; R166-E203 PolarHBondContact NH2-OE2 2.93Å |
| 167 | P | 92.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 165.8 | 179.8 | 32.6 | -36.1 | 0 | 0 | 0 | 111.4 | R143 T171 L173 | R143-P167 HydrophobicContact CG-CB 4.22Å; R143-P167 HydrophobicContact CG-CG 4.42Å; P167-T171 HydrophobicContact CB-CG2 3.51Å; P167-T171 HydrophobicContact CG-CG2 3.87Å; P167-L173 HydrophobicContact CG-CB 4.15Å |
| 168 | A | 87.2 | Confident | 94.4 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -65.2 | 162.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G170 T171 | A168-G170 PolarHBondContact O-N 3.02Å; A168-T171 WeakPolarHBondContact O-CB 3.41Å; A168-T171 PolarHBondContact O-N 2.84Å |
| 169 | D | 82.4 | Confident | 94 | Very high | 172 Ų | 172 | 44.7 Ų | 44.7 | 92% | 0.92 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 135.4 | 178.6 | -69.8 | -31.3 | 0 | 0 | 0 | 111.8 | ||
| 170 | G | 84.3 | Confident | 93.7 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 92% | 0.918 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.7 | -11.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A168 | A168-G170 PolarHBondContact O-N 3.02Š|
| 171 | T | 92.6 | Very high | 93.4 | Very high | 31 Ų | 31 | 38 Ų | 38 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -103.7 | 135.2 | 175.1 | -61.6 | 0 | 0 | 0 | 0 | 110.1 | E140 P167 A168 | E140-T171 HydrophobicContact CB-CG2 4.35Å; E140-T171 HydrophobicContact CG-CG2 3.76Å; E140-T171 PolarHBondContact O-OG1 2.95Å; P167-T171 HydrophobicContact CB-CG2 3.51Å; P167-T171 HydrophobicContact CG-CG2 3.87Å; A168-T171 WeakPolarHBondContact O-CB 3.41Å; A168-T171 PolarHBondContact O-N 2.84Å |
| 172 | W | 95.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 145 | -179.7 | 56.4 | -99.1 | 0 | 0 | 0 | 112.3 | V31 A141 G142 R143 L144 R174 | V31-W172 HydrophobicContact CG1-CH2 3.64Å; V31-W172 HydrophobicContact CG1-CZ2 4.03Å; V31-W172 HydrophobicContact CG2-CH2 4.28Å; V31-W172 HydrophobicContact CG2-CZ2 3.8Å; A141-W172 PolarHBondContact O-N 2.02Å; A141-W172 PolarHBondContact O-NE1 2.85Å; G142-W172 CarbonylContact C-O 3.58Å; G142-W172 WeakPolarHBondContact CA-O 3.23Å; R143-W172 PolarHBondContact N-O 3.28Å; R143-W172 WeakPolarHBondContact O-CZ3 3.34Å; L144-W172 HydrophobicContact CB-CH2 4.43Å; L144-W172 HydrophobicContact CB-CZ3 4.15Å; W172-R174 HydrophobicContact CD2-CG 4.43Å; W172-R174 HydrophobicContact CE3-CB 4.14Å; W172-R174 HydrophobicContact CE3-CG 3.53Å; W172-R174 HydrophobicContact CZ3-CB 4.06Å; W172-R174 HydrophobicContact CZ3-CG 3.84Å |
| 173 | L | 97.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.4 | 167.4 | 177.1 | 63.8 | 0 | 0 | 0 | 108.9 | R143 F145 I161 P167 V175 L199 | R143-L173 HydrophobicContact CB-CD1 4.11Å; R143-L173 WeakPolarHBondContact O-CA 3.43Å; F145-L173 HydrophobicContact CD2-CD1 3.8Å; F145-L173 HydrophobicContact CE2-CD1 4.12Å; I161-L173 HydrophobicContact CG2-CD1 4.28Å; I161-L173 HydrophobicContact CG2-CD2 4.17Å; P167-L173 HydrophobicContact CG-CB 4.15Å; L173-V175 HydrophobicContact CD1-CG2 4.32Å; L173-V175 HydrophobicContact CD2-CG2 4.42Å; L173-V175 HydrophobicContact CG-CG2 4.19Å; L173-L199 HydrophobicContact CD2-CD2 4.21Å |
| 174 | R | 98 | Very high | 92.7 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.6 | 173.5 | -64 | 179.6 | -175.6 | 142.8 | -8.6 | 110 | R143 L144 F145 W172 E203 Y205 I466 F467 | R143-R174 PolarHBondContact O-N 3.44Å; L144-R174 CarbonylContact C-O 3.6Å; L144-R174 WeakPolarHBondContact CA-O 3.45Å; F145-R174 PolarHBondContact N-O 2.97Å; W172-R174 HydrophobicContact CD2-CG 4.43Å; W172-R174 HydrophobicContact CE3-CB 4.14Å; W172-R174 HydrophobicContact CE3-CG 3.53Å; W172-R174 HydrophobicContact CZ3-CB 4.06Å; W172-R174 HydrophobicContact CZ3-CG 3.84Å; R174-E203 CarbonylContact C-O 3.5Å; R174-E203 WeakPolarHBondContact CA-O 3.07Å; R174-Y205 HydrophobicContact CB-CD2 4.05Å; R174-Y205 HydrophobicContact CB-CE2 3.77Å; R174-Y205 HydrophobicContact CG-CD2 4.31Å; R174-Y205 HydrophobicContact CG-CE2 3.53Å; R174-Y205 PolarHBondContact NE-OH 2.81Å; R174-I466 HydrophobicContact CB-CG2 4.23Å; R174-I466 WeakPolarHBondContact CD-O 3.3Å; R174-I466 PolarHBondContact NE-O 3.38Å; R174-I466 PolarHBondContact NH1-O 3.34Å; R174-F467 PolarHBondContact NH1-O 3.38Å |
| 175 | V | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.6 | 179.3 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | F145 L147 I161 L173 L177 L199 E203 M204 Y205 | F145-V175 HydrophobicContact CB-CG1 4.43Å; F145-V175 HydrophobicContact CB-CG2 4.36Å; F145-V175 CarbonylContact O-C 3.57Å; F145-V175 VanDerWaalsContact O-CA 3.31Å; F145-V175 WeakPolarHBondContact O-CA 3.37Å; L147-V175 HydrophobicContact CD1-CG1 4.03Å; L147-V175 HydrophobicContact CD2-CG1 4.5Å; L147-V175 HydrophobicContact CG-CG1 3.98Å; I161-V175 HydrophobicContact CD1-CG1 4.48Å; L173-V175 HydrophobicContact CD1-CG2 4.32Å; L173-V175 HydrophobicContact CD2-CG2 4.42Å; L173-V175 HydrophobicContact CG-CG2 4.19Å; V175-L177 HydrophobicContact CG1-CD2 4.16Å; V175-L199 HydrophobicContact CB-CD1 3.83Å; V175-L199 HydrophobicContact CG1-CD1 3.85Å; V175-L199 HydrophobicContact CG2-CD1 3.85Å; V175-L199 HydrophobicContact CG2-CD2 3.73Å; V175-L199 HydrophobicContact CG2-CG 4.45Å; V175-E203 PolarHBondContact N-O 2.64Å; V175-M204 CarbonylContact O-C 3.46Å; V175-M204 WeakPolarHBondContact O-CA 3.41Å; V175-Y205 PolarHBondContact O-N 2.77Å |
| 176 | V | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130 | -177.9 | -167.9 | 0 | 0 | 0 | 0 | 109.2 | L144 F145 Y146 L147 Y205 I207 I466 | L144-V176 HydrophobicContact CD2-CG2 4.01Å; F145-V176 PolarHBondContact O-N 3.3Å; Y146-V176 HydrophobicContact CD1-CB 4.45Å; Y146-V176 HydrophobicContact CD2-CB 3.74Å; Y146-V176 HydrophobicContact CD2-CG1 3.8Å; Y146-V176 HydrophobicContact CD2-CG2 3.89Å; Y146-V176 HydrophobicContact CE1-CG1 4.26Å; Y146-V176 HydrophobicContact CE2-CB 4.03Å; Y146-V176 HydrophobicContact CE2-CG1 3.53Å; Y146-V176 HydrophobicContact CE2-CG2 4.35Å; Y146-V176 HydrophobicContact CG-CB 3.98Å; Y146-V176 HydrophobicContact CG-CG1 4.3Å; Y146-V176 HydrophobicContact CG-CG2 4.44Å; L147-V176 WeakPolarHBondContact CB-O 3.42Å; L147-V176 PolarHBondContact N-O 3.17Å; V176-Y205 CarbonylContact C-O 3.56Å; V176-Y205 VanDerWaalsContact CA-O 3.3Å; V176-Y205 WeakPolarHBondContact CA-O 3.49Å; V176-Y205 WeakPolarHBondContact CG1-O 3.39Å; V176-I207 HydrophobicContact CG1-CD1 3.7Å; V176-I207 HydrophobicContact CG1-CG1 3.38Å; V176-I466 HydrophobicContact CB-CD1 4.43Å; V176-I466 HydrophobicContact CG1-CD1 3.93Å; V176-I466 HydrophobicContact CG2-CD1 3.58Å; V176-I466 HydrophobicContact CG2-CG1 4.22Å; V176-I466 HydrophobicContact CG2-CG2 4.02Å |
| 177 | L | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.6 | -176.4 | -53.7 | 171.7 | 0 | 0 | 0 | 109.1 | L147 Y154 V175 F181 L195 M204 Y205 R206 I207 | L147-L177 HydrophobicContact CB-CD2 4.36Å; L147-L177 HydrophobicContact CD1-CD2 3.61Å; L147-L177 HydrophobicContact CG-CD2 4.12Å; Y154-L177 HydrophobicContact CD1-CD2 4.29Å; Y154-L177 HydrophobicContact CD2-CD2 4.17Å; Y154-L177 HydrophobicContact CE2-CB 4.26Å; Y154-L177 HydrophobicContact CE2-CD2 4.49Å; Y154-L177 HydrophobicContact CG-CD2 4.08Å; V175-L177 HydrophobicContact CG1-CD2 4.16Å; L177-F181 HydrophobicContact CB-CE1 3.7Å; L177-F181 HydrophobicContact CB-CZ 4.43Å; L177-F181 WeakPolarHBondContact O-CZ 3.29Å; L177-L195 HydrophobicContact CD1-CD1 3.71Å; L177-L195 HydrophobicContact CD1-CD2 4.47Å; L177-M204 HydrophobicContact CD1-CG 4.5Å; L177-M204 HydrophobicContact CD1-SD 4.33Å; L177-Y205 PolarHBondContact N-O 3.39Å; L177-R206 HydrophobicContact CB-CG 4.41Å; L177-R206 HydrophobicContact CD1-CG 4.14Å; L177-I207 PolarHBondContact O-N 2.91Å |
| 178 | E | 94.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 155.9 | 176.3 | -77.3 | -69.5 | 170.1 | 0 | 0 | 112.1 | L42 Y146 Y154 F181 Y459 | L42-E178 HydrophobicContact CD2-CG 3.75Å; Y146-E178 HydrophobicContact CE1-CG 4.02Å; Y146-E178 PolarHBondContact OH-OE1 2.86Å; Y154-E178 WeakPolarHBondContact CE2-O 3.27Å; Y154-E178 WeakPolarHBondContact OH-CA 3.25Å; Y154-E178 WeakPolarHBondContact OH-CB 3.44Å; Y154-E178 PolarHBondContact OH-N 3.43Å; Y154-E178 VanDerWaalsContact OH-N 3.08Å; Y154-E178 PolarHBondContact OH-O 2.93Å; E178-F181 VanDerWaalsContact C-CE1 3.41Å; E178-F181 WeakPolarHBondContact O-CE1 3.35Å; E178-F181 WeakPolarHBondContact O-CZ 3.28Å; E178-Y459 WeakPolarHBondContact OE1-CE1 3.3Å; E178-Y459 PolarHBondContact OE1-OH 2.82Å; E178-Y459 PolarHBondContact OE2-OH 3.46Å |
| 179 | K | 89.6 | Confident | 93.3 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -65 | 148.4 | 168.8 | 70 | 172.9 | -167.5 | 162.3 | 0 | 109.7 | F181 D267 H272 | K179-F181 HydrophobicContact CB-CD2 4.35Å; K179-F181 HydrophobicContact CB-CE2 4.03Å; K179-F181 HydrophobicContact CB-CZ 4.47Å; K179-D267 PolarHBondContact NZ-O 3.23Å; K179-D267 IonicContact NZ-OD1 3.79Å; K179-H272 PolarHBondContact NZ-CE1 3.17Å; K179-H272 PolarHBondContact NZ-NE2 3.19Å |
| 180 | P | 89.6 | Confident | 93.9 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 20% | 0.195 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | cis | -87.3 | 142.9 | 11.9 | 33.7 | -36 | 0 | 0 | 0 | 114.9 | A151 F258 Y262 | A151-P180 HydrophobicContact CB-CG 4.26Å; A151-P180 VanDerWaalsContact CB-O 3.32Å; A151-P180 WeakPolarHBondContact CB-O 2.78Å; P180-F258 HydrophobicContact CG-CE2 4.24Å; P180-F258 HydrophobicContact CG-CZ 4.26Å; P180-Y262 HydrophobicContact CB-CE1 4.39Å; P180-Y262 HydrophobicContact CB-CE2 3.87Å; P180-Y262 WeakPolarHBondContact CB-OH 3.43Å |
| 181 | F | 91.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | trans | -105.6 | 68 | 174.6 | -49.7 | -65 | 0 | 0 | 0 | 111 | L177 E178 K179 A188 R206 L480 W484 | L177-F181 HydrophobicContact CB-CE1 3.7Å; L177-F181 HydrophobicContact CB-CZ 4.43Å; L177-F181 WeakPolarHBondContact O-CZ 3.29Å; E178-F181 VanDerWaalsContact C-CE1 3.41Å; E178-F181 WeakPolarHBondContact O-CE1 3.35Å; E178-F181 WeakPolarHBondContact O-CZ 3.28Å; K179-F181 HydrophobicContact CB-CD2 4.35Å; K179-F181 HydrophobicContact CB-CE2 4.03Å; K179-F181 HydrophobicContact CB-CZ 4.47Å; F181-A188 WeakPolarHBondContact O-CB 3.36Å; F181-R206 HydrophobicContact CD1-CG 4.4Å; F181-R206 HydrophobicContact CE1-CB 3.99Å; F181-R206 HydrophobicContact CE1-CG 4Å; F181-R206 HydrophobicContact CE2-CB 3.87Å; F181-R206 HydrophobicContact CZ-CB 3.57Å; F181-R206 HydrophobicContact CZ-CG 4.11Å; F181-L480 HydrophobicContact CB-CD1 3.89Å; F181-L480 HydrophobicContact CB-CD2 3.5Å; F181-L480 HydrophobicContact CB-CG 4.34Å; F181-L480 HydrophobicContact CD2-CD1 4.39Å; F181-L480 HydrophobicContact CG-CD2 4.23Å; F181-W484 PolarHBondContact O-NE1 3.19Å | ||
| 182 | G | 89.9 | Confident | 94.5 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | trans | 86.7 | 176.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y262 W484 | G182-Y262 PolarHBondContact O-OH 3.31Å; G182-W484 WeakPolarHBondContact O-CZ2 3.37Å | ||
| 183 | H | 90.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 36 Ų | 36 | 44% | 0.44 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -126.4 | -4.5 | 177.3 | 56.5 | -92 | 0 | 0 | 0 | 112.9 | S187 Y262 R266 W484 | H183-S187 WeakPolarHBondContact CE1-CB 3.32Å; H183-S187 PolarHBondContact N-OG 3.49Å; H183-S187 PolarHBondContact ND1-OG 3.15Å; H183-Y262 HydrophobicContact CB-CE2 4.18Å; H183-R266 PolarHBondContact O-NE 3.26Å; H183-W484 VanDerWaalsContact C-CH2 3.49Å |
| 184 | D | 93.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -162.6 | 178.3 | 172.2 | 54.8 | 30.5 | 0 | 0 | 0 | 108.6 | L186 S187 A188 T488 | D184-L186 VanDerWaalsContact C-N 3.35Å; D184-L186 PolarHBondContact O-N 3.15Å; D184-L186 PolarHBondContact OD1-N 2.86Å; D184-S187 PolarHBondContact N-OG 3.33Å; D184-S187 PolarHBondContact O-OG 3.34Å; D184-S187 VanDerWaalsContact O-OG 3.05Å; D184-S187 VanDerWaalsContact OD1-CB 3.27Å; D184-S187 WeakPolarHBondContact OD1-CB 3.31Å; D184-S187 PolarHBondContact OD1-N 3.37Å; D184-S187 PolarHBondContact OD1-OG 2.57Å; D184-A188 VanDerWaalsContact O-CB 3.28Å; D184-A188 WeakPolarHBondContact O-CB 2.95Å; D184-A188 PolarHBondContact O-N 2.7Å; D184-T488 HydrophobicContact CB-CG2 4.1Å |
| 185 | Y | 96.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 39.8 Ų | 39.8 | 26% | 0.255 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.3 | -45.9 | 178.4 | -178.1 | -96.6 | 0 | 0 | 0 | 113.5 | A188 Q189 L481 W484 E485 T488 | Y185-A188 PolarHBondContact O-N 2.98Å; Y185-Q189 WeakPolarHBondContact O-CB 3.48Å; Y185-Q189 PolarHBondContact O-N 3.31Å; Y185-L481 HydrophobicContact CE2-CB 4.1Å; Y185-L481 HydrophobicContact CE2-CD2 4.33Å; Y185-W484 HydrophobicContact CD2-CB 4.04Å; Y185-E485 HydrophobicContact CD2-CB 4.48Å; Y185-E485 HydrophobicContact CD2-CG 3.47Å; Y185-E485 VanDerWaalsContact CD2-CG 3.47Å; Y185-E485 HydrophobicContact CE2-CG 3.2Å; Y185-E485 WeakPolarHBondContact CE2-OE1 3.47Å; Y185-E485 HydrophobicContact CG-CG 4.46Å; Y185-E485 PolarHBondContact OH-OE1 2.73Å; Y185-T488 WeakPolarHBondContact CB-OG1 3.45Å; Y185-T488 PolarHBondContact N-OG1 2.92Å |
| 186 | L | 96.1 | Very high | 94.1 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 59% | 0.586 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.6 | -48.4 | -174.8 | -179.7 | 63.1 | 0 | 0 | 0 | 111.1 | D184 A188 Q189 V190 | D184-L186 VanDerWaalsContact C-N 3.35Å; D184-L186 PolarHBondContact O-N 3.15Å; D184-L186 PolarHBondContact OD1-N 2.86Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 3.1Å; L186-Q189 PolarHBondContact O-N 2.77Å; L186-V190 WeakPolarHBondContact O-CG2 3.42Å; L186-V190 PolarHBondContact O-N 3.14Å |
| 187 | S | 93.8 | Very high | 93.9 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | H183 D184 L191 | H183-S187 WeakPolarHBondContact CE1-CB 3.32Å; H183-S187 PolarHBondContact N-OG 3.49Å; H183-S187 PolarHBondContact ND1-OG 3.15Å; D184-S187 PolarHBondContact N-OG 3.33Å; D184-S187 PolarHBondContact O-OG 3.34Å; D184-S187 VanDerWaalsContact O-OG 3.05Å; D184-S187 VanDerWaalsContact OD1-CB 3.27Å; D184-S187 WeakPolarHBondContact OD1-CB 3.31Å; D184-S187 PolarHBondContact OD1-N 3.37Å; D184-S187 PolarHBondContact OD1-OG 2.57Å; S187-L191 WeakPolarHBondContact O-CB 2.95Å; S187-L191 PolarHBondContact O-N 3.22Å |
| 188 | A | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F181 D184 Y185 L186 A192 L481 W484 | F181-A188 WeakPolarHBondContact O-CB 3.36Å; D184-A188 VanDerWaalsContact O-CB 3.28Å; D184-A188 WeakPolarHBondContact O-CB 2.95Å; D184-A188 PolarHBondContact O-N 2.7Å; Y185-A188 PolarHBondContact O-N 2.98Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 3.1Å; A188-A192 VanDerWaalsContact O-CB 3.27Å; A188-A192 WeakPolarHBondContact O-CB 3.4Å; A188-A192 PolarHBondContact O-N 2.77Å; A188-L481 HydrophobicContact CB-CD2 4.16Å; A188-W484 HydrophobicContact CB-CG 4.08Å |
| 189 | Q | 96.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.2 | -176.3 | -179.8 | 70.8 | 0 | 0 | 112.1 | Y185 L186 A192 T193 L481 | Y185-Q189 WeakPolarHBondContact O-CB 3.48Å; Y185-Q189 PolarHBondContact O-N 3.31Å; L186-Q189 PolarHBondContact O-N 2.77Å; Q189-A192 PolarHBondContact O-N 2.92Å; Q189-T193 WeakPolarHBondContact O-CB 3.44Å; Q189-T193 PolarHBondContact O-N 3.2Å; Q189-T193 PolarHBondContact O-OG1 3.19Å; Q189-L481 HydrophobicContact CB-CD2 4.07Å |
| 190 | V | 95 | Very high | 94.1 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -52.7 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | L186 A192 T193 E194 | L186-V190 WeakPolarHBondContact O-CG2 3.42Å; L186-V190 PolarHBondContact O-N 3.14Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 3.21Å; V190-T193 PolarHBondContact O-N 3.27Å; V190-T193 VanDerWaalsContact O-N 3.1Å; V190-E194 WeakPolarHBondContact O-CG 3.37Å; V190-E194 PolarHBondContact O-N 3.33Å |
| 191 | L | 93.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 178.1 | 177.4 | 63.5 | 0 | 0 | 0 | 112 | S187 L195 | S187-L191 WeakPolarHBondContact O-CB 2.95Å; S187-L191 PolarHBondContact O-N 3.22Å; L191-L195 HydrophobicContact CD1-CD1 4.02Å; L191-L195 HydrophobicContact CD1-CG 4.24Å; L191-L195 HydrophobicContact CG-CD1 3.97Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 3.28Å |
| 192 | A | 94.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A188 Q189 V190 L195 M196 T477 | A188-A192 VanDerWaalsContact O-CB 3.27Å; A188-A192 WeakPolarHBondContact O-CB 3.4Å; A188-A192 PolarHBondContact O-N 2.77Å; Q189-A192 PolarHBondContact O-N 2.92Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 3.21Å; A192-L195 PolarHBondContact O-N 3.01Å; A192-M196 HydrophobicContact CB-CE 4.45Å; A192-M196 WeakPolarHBondContact O-CB 3.48Å; A192-M196 WeakPolarHBondContact O-CE 3.05Å; A192-M196 VanDerWaalsContact O-CG 3.27Å; A192-M196 WeakPolarHBondContact O-CG 3.33Å; A192-M196 PolarHBondContact O-N 3.14Å; A192-T477 HydrophobicContact CB-CG2 3.7Å |
| 193 | T | 95.2 | Very high | 94.5 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 52% | 0.521 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | -180 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | Q189 V190 M196 G197 | Q189-T193 WeakPolarHBondContact O-CB 3.44Å; Q189-T193 PolarHBondContact O-N 3.2Å; Q189-T193 PolarHBondContact O-OG1 3.19Å; V190-T193 PolarHBondContact O-N 3.27Å; V190-T193 VanDerWaalsContact O-N 3.1Å; T193-M196 PolarHBondContact O-N 3.19Å; T193-G197 PolarHBondContact O-N 2.78Å |
| 194 | E | 94.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 52.5 Ų | 52.5 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.1 | -69.1 | 178.9 | 159.5 | 0 | 0 | 111.8 | A155 V190 G197 | A155-E194 HydrophobicContact CB-CB 3.91Å; V190-E194 WeakPolarHBondContact O-CG 3.37Å; V190-E194 PolarHBondContact O-N 3.33Å; E194-G197 PolarHBondContact O-N 2.94Å |
| 195 | L | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 178.3 | -74.2 | 171.3 | 0 | 0 | 0 | 112.7 | A158 L177 L191 A192 G197 A198 L199 M204 | A158-L195 HydrophobicContact CB-CD2 4.01Å; L177-L195 HydrophobicContact CD1-CD1 3.71Å; L177-L195 HydrophobicContact CD1-CD2 4.47Å; L191-L195 HydrophobicContact CD1-CD1 4.02Å; L191-L195 HydrophobicContact CD1-CG 4.24Å; L191-L195 HydrophobicContact CG-CD1 3.97Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 3.28Å; A192-L195 PolarHBondContact O-N 3.01Å; L195-G197 PolarHBondContact O-N 2.96Å; L195-A198 PolarHBondContact O-N 3.46Å; L195-L199 PolarHBondContact O-N 3.38Å; L195-M204 HydrophobicContact CB-SD 3.89Å; L195-M204 HydrophobicContact CD1-SD 4.41Å |
| 196 | M | 94.8 | Very high | 95 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 50% | 0.502 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -20.8 | 177 | -74.6 | -174.1 | -62.7 | 0 | 0 | 113 | A192 T193 A198 M204 | A192-M196 HydrophobicContact CB-CE 4.45Å; A192-M196 WeakPolarHBondContact O-CB 3.48Å; A192-M196 WeakPolarHBondContact O-CE 3.05Å; A192-M196 VanDerWaalsContact O-CG 3.27Å; A192-M196 WeakPolarHBondContact O-CG 3.33Å; A192-M196 PolarHBondContact O-N 3.14Å; T193-M196 PolarHBondContact O-N 3.19Å; M196-A198 PolarHBondContact O-N 3.45Å; M196-M204 HydrophobicContact CG-CE 4.36Å |
| 197 | G | 94.5 | Very high | 95 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 69% | 0.691 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | T193 E194 L195 | T193-G197 PolarHBondContact O-N 2.78Å; E194-G197 PolarHBondContact O-N 2.94Å; L195-G197 PolarHBondContact O-N 2.96Å |
| 198 | A | 96.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -28.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A158 N162 R166 L195 M196 | A158-A198 HydrophobicContact CB-CB 3.97Å; N162-A198 HydrophobicContact CB-CB 4.06Å; N162-A198 WeakPolarHBondContact CB-O 3.39Å; N162-A198 PolarHBondContact OD1-O 2.92Å; N162-A198 VanDerWaalsContact OD1-O 3.13Å; R166-A198 PolarHBondContact NH2-O 3.23Å; L195-A198 PolarHBondContact O-N 3.46Å; M196-A198 PolarHBondContact O-N 3.45Å |
| 199 | L | 96.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -129.5 | 146.3 | -173.7 | -60.5 | 173.3 | 0 | 0 | 0 | 111.1 | A158 L173 V175 L195 M204 | A158-L199 HydrophobicContact CB-CD1 3.73Å; A158-L199 HydrophobicContact CB-CG 4.02Å; L173-L199 HydrophobicContact CD2-CD2 4.21Å; V175-L199 HydrophobicContact CB-CD1 3.83Å; V175-L199 HydrophobicContact CG1-CD1 3.85Å; V175-L199 HydrophobicContact CG2-CD1 3.85Å; V175-L199 HydrophobicContact CG2-CD2 3.73Å; V175-L199 HydrophobicContact CG2-CG 4.45Å; L195-L199 PolarHBondContact O-N 3.38Å; L199-M204 HydrophobicContact CB-CG 3.86Å; L199-M204 HydrophobicContact CB-SD 4.08Å; L199-M204 HydrophobicContact CD1-CG 4.02Å; L199-M204 HydrophobicContact CD1-SD 4.41Å |
| 200 | K | 93.7 | Very high | 95 | Very high | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | trans | -82.1 | 153.8 | 172.2 | -48.3 | 178.7 | -172.2 | 171.2 | 0 | 110.4 | E202 E203 M204 | K200-E202 VanDerWaalsContact C-N 3.29Å; K200-E202 VanDerWaalsContact CB-CD 3.4Å; K200-E202 HydrophobicContact CB-CG 4.29Å; K200-E202 WeakPolarHBondContact CB-OE1 3.31Å; K200-E202 WeakPolarHBondContact CB-OE2 3.44Å; K200-E202 WeakPolarHBondContact CD-OE1 3.48Å; K200-E202 PolarHBondContact O-N 2.73Å; K200-E203 HydrophobicContact CB-CG 4.01Å; K200-E203 PolarHBondContact N-OE2 3.17Å; K200-E203 WeakPolarHBondContact O-CB 3.48Å; K200-E203 PolarHBondContact O-N 3.14Å; K200-M204 PolarHBondContact O-N 3.4Å | ||
| 201 | D | 90.4 | Very high | 95 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 31% | 0.31 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -64.3 | -34.4 | -177.1 | -164.4 | 71.6 | 0 | 0 | 0 | 112.3 | E203 M204 R206 K471 T477 | D201-E203 PolarHBondContact O-N 3.09Å; D201-M204 HydrophobicContact CB-CE 4.33Å; D201-M204 PolarHBondContact O-N 3.4Å; D201-M204 VanDerWaalsContact O-N 3.17Å; D201-R206 IonicContact OD1-NH1 2.69Å; D201-K471 PolarHBondContact O-NZ 3.46Å; D201-T477 WeakPolarHBondContact OD1-CB 3.35Å; D201-T477 PolarHBondContact OD1-OG1 3.06Å |
| 202 | E | 91.4 | Very high | 95.1 | Very high | 117 Ų | 117 | 36.7 Ų | 36.7 | 55% | 0.547 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -64.3 | -21.2 | 173.3 | 67.4 | -86.8 | -160.1 | 0 | 0 | 113.4 | K200 K471 | K200-E202 VanDerWaalsContact C-N 3.29Å; K200-E202 VanDerWaalsContact CB-CD 3.4Å; K200-E202 HydrophobicContact CB-CG 4.29Å; K200-E202 WeakPolarHBondContact CB-OE1 3.31Å; K200-E202 WeakPolarHBondContact CB-OE2 3.44Å; K200-E202 WeakPolarHBondContact CD-OE1 3.48Å; K200-E202 PolarHBondContact O-N 2.73Å; E202-K471 WeakPolarHBondContact O-CE 3.39Å; E202-K471 PolarHBondContact O-NZ 2.73Å |
| 203 | E | 95.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -86.1 | -23.5 | 177.9 | -59.5 | 169.7 | 164.2 | 0 | 0 | 111.7 | R166 R174 V175 K200 D201 Y205 | R166-E203 IonicContact CZ-OE1 3.91Å; R166-E203 IonicContact CZ-OE2 3.85Å; R166-E203 IonicContact NH1-OE1 3.24Å; R166-E203 PolarHBondContact NH1-OE1 3.38Å; R166-E203 IonicContact NH1-OE2 3.36Å; R166-E203 IonicContact NH2-OE1 2.73Å; R166-E203 PolarHBondContact NH2-OE1 3.24Å; R166-E203 IonicContact NH2-OE2 3.76Å; R166-E203 PolarHBondContact NH2-OE2 2.93Å; R174-E203 CarbonylContact C-O 3.5Å; R174-E203 WeakPolarHBondContact CA-O 3.07Å; V175-E203 PolarHBondContact N-O 2.64Å; K200-E203 HydrophobicContact CB-CG 4.01Å; K200-E203 PolarHBondContact N-OE2 3.17Å; K200-E203 WeakPolarHBondContact O-CB 3.48Å; K200-E203 PolarHBondContact O-N 3.14Å; D201-E203 PolarHBondContact O-N 3.09Å; E203-Y205 WeakPolarHBondContact O-CD2 3.35Å |
| 204 | M | 96.7 | Very high | 95 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.3 | -173 | -67.4 | -174.5 | -75.8 | 0 | 0 | 113.6 | V175 L177 L195 M196 L199 K200 D201 K471 | V175-M204 CarbonylContact O-C 3.46Å; V175-M204 WeakPolarHBondContact O-CA 3.41Å; L177-M204 HydrophobicContact CD1-CG 4.5Å; L177-M204 HydrophobicContact CD1-SD 4.33Å; L195-M204 HydrophobicContact CB-SD 3.89Å; L195-M204 HydrophobicContact CD1-SD 4.41Å; M196-M204 HydrophobicContact CG-CE 4.36Å; L199-M204 HydrophobicContact CB-CG 3.86Å; L199-M204 HydrophobicContact CB-SD 4.08Å; L199-M204 HydrophobicContact CD1-CG 4.02Å; L199-M204 HydrophobicContact CD1-SD 4.41Å; K200-M204 PolarHBondContact O-N 3.4Å; D201-M204 HydrophobicContact CB-CE 4.33Å; D201-M204 PolarHBondContact O-N 3.4Å; D201-M204 VanDerWaalsContact O-N 3.17Å; M204-K471 PolarHBondContact O-NZ 2.81Å |
| 205 | Y | 97.7 | Very high | 95.1 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 98.1 | 177.8 | -69.3 | -105.7 | 0 | 0 | 0 | 108.8 | R174 V175 V176 L177 E203 I466 G469 K471 F474 | R174-Y205 HydrophobicContact CB-CD2 4.05Å; R174-Y205 HydrophobicContact CB-CE2 3.77Å; R174-Y205 HydrophobicContact CG-CD2 4.31Å; R174-Y205 HydrophobicContact CG-CE2 3.53Å; R174-Y205 PolarHBondContact NE-OH 2.81Å; V175-Y205 PolarHBondContact O-N 2.77Å; V176-Y205 CarbonylContact C-O 3.56Å; V176-Y205 VanDerWaalsContact CA-O 3.3Å; V176-Y205 WeakPolarHBondContact CA-O 3.49Å; V176-Y205 WeakPolarHBondContact CG1-O 3.39Å; L177-Y205 PolarHBondContact N-O 3.39Å; E203-Y205 WeakPolarHBondContact O-CD2 3.35Å; Y205-I466 HydrophobicContact CD1-CB 4.33Å; Y205-I466 HydrophobicContact CD1-CG1 3.76Å; Y205-I466 HydrophobicContact CD1-CG2 4.35Å; Y205-I466 HydrophobicContact CE1-CG1 4.42Å; Y205-I466 HydrophobicContact CG-CG1 4.11Å; Y205-I466 HydrophobicContact CG-CG2 4.36Å; Y205-G469 WeakPolarHBondContact OH-CA 3.46Å; Y205-K471 HydrophobicContact CD1-CD 4.25Å; Y205-K471 HydrophobicContact CE1-CD 3.84Å; Y205-K471 HydrophobicContact CE1-CG 4.42Å; Y205-K471 WeakPolarHBondContact OH-CE 3.38Å; Y205-F474 AromaticContact CD1-CD1 3.91Å; Y205-F474 HydrophobicContact CD1-CD1 3.91Å; Y205-F474 AromaticContact CD1-CD2 3.74Å; Y205-F474 HydrophobicContact CD1-CD2 3.74Å; Y205-F474 AromaticContact CD1-CE1 3.97Å; Y205-F474 HydrophobicContact CD1-CE1 3.97Å; Y205-F474 AromaticContact CD1-CE2 3.83Å; Y205-F474 HydrophobicContact CD1-CE2 3.83Å; Y205-F474 AromaticContact CD1-CG 3.8Å; Y205-F474 HydrophobicContact CD1-CG 3.8Å; Y205-F474 AromaticContact CD1-CZ 3.98Å; Y205-F474 HydrophobicContact CD1-CZ 3.98Å; Y205-F474 HydrophobicContact CE1-CD2 4.28Å; Y205-F474 HydrophobicContact CE1-CE2 4.3Å; Y205-F474 HydrophobicContact CG-CD1 4.35Å |
| 206 | R | 97.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.9 | 178.9 | -63.3 | 179.6 | -175.6 | 84.2 | -2.1 | 109.7 | L177 F181 D201 V475 T477 | L177-R206 HydrophobicContact CB-CG 4.41Å; L177-R206 HydrophobicContact CD1-CG 4.14Å; F181-R206 HydrophobicContact CD1-CG 4.4Å; F181-R206 HydrophobicContact CE1-CB 3.99Å; F181-R206 HydrophobicContact CE1-CG 4Å; F181-R206 HydrophobicContact CE2-CB 3.87Å; F181-R206 HydrophobicContact CZ-CB 3.57Å; F181-R206 HydrophobicContact CZ-CG 4.11Å; D201-R206 IonicContact OD1-NH1 2.69Å; R206-V475 HydrophobicContact CB-CB 4.1Å; R206-V475 WeakPolarHBondContact CB-O 3.35Å; R206-V475 WeakPolarHBondContact CD-O 3.4Å; R206-V475 PolarHBondContact O-N 3.25Å; R206-T477 VanDerWaalsContact CZ-OG1 3.24Å; R206-T477 PolarHBondContact NH1-OG1 3.11Å; R206-T477 VanDerWaalsContact NH1-OG1 3.09Å; R206-T477 PolarHBondContact NH2-OG1 3.48Å |
| 207 | I | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -79.3 | 122.8 | -175.3 | -64.1 | -72.6 | 0 | 0 | 0 | 110.5 | V176 L177 H209 Y459 L462 I466 F474 | V176-I207 HydrophobicContact CG1-CD1 3.7Å; V176-I207 HydrophobicContact CG1-CG1 3.38Å; L177-I207 PolarHBondContact O-N 2.91Å; I207-H209 HydrophobicContact CG2-CB 4.35Å; I207-Y459 HydrophobicContact CG2-CE1 3.97Å; I207-L462 HydrophobicContact CD1-CB 4.24Å; I207-L462 HydrophobicContact CD1-CD1 3.92Å; I207-L462 HydrophobicContact CG2-CD1 4.17Å; I207-I466 HydrophobicContact CD1-CD1 4.27Å; I207-F474 HydrophobicContact CD1-CD1 4.16Å; I207-F474 HydrophobicContact CD1-CE1 3.66Å | ||
| 208 | D | 96.2 | Very high | 95 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | trans | -114.9 | 108.1 | 147.9 | -173.3 | -41.1 | 0 | 0 | 0 | 107.2 | Y210 L211 N271 H272 V475 | D208-Y210 PolarHBondContact O-N 3.48Å; D208-Y210 VanDerWaalsContact O-N 3.11Å; D208-Y210 WeakPolarHBondContact OD1-CB 3.22Å; D208-Y210 PolarHBondContact OD1-N 2.89Å; D208-L211 HydrophobicContact CB-CD1 4.17Å; D208-L211 HydrophobicContact CB-CG 4.29Å; D208-L211 WeakPolarHBondContact O-CB 3.29Å; D208-L211 PolarHBondContact O-N 3.37Å; D208-N271 VanDerWaalsContact OD2-C 3.26Å; D208-N271 WeakPolarHBondContact OD2-CB 3.46Å; D208-H272 IonicContact OD1-CE1 2.73Å; D208-H272 PolarHBondContact OD1-CE1 3.16Å; D208-H272 IonicContact OD1-CG 2.63Å; D208-H272 IonicContact OD1-ND1 3.06Å; D208-H272 PolarHBondContact OD1-ND1 2.8Å; D208-H272 WeakPolarHBondContact OD2-CA 3.32Å; D208-H272 IonicContact OD2-CE1 3.7Å; D208-H272 IonicContact OD2-CG 3.9Å; D208-H272 PolarHBondContact OD2-N 3.03Å; D208-H272 IonicContact OD2-ND1 3.65Å; D208-H272 PolarHBondContact OD2-ND1 3.37Å; D208-V475 HydrophobicContact CB-CG2 4.24Å | ||
| 209 | H | 94.3 | Very high | 95.1 | Very high | 44 Ų | 44 | 24.4 Ų | 24.4 | 20% | 0.204 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -63.5 | -18 | -175.7 | 75.9 | -80.1 | 0 | 0 | 0 | 113.4 | I207 L211 G212 H272 A458 Y459 | I207-H209 HydrophobicContact CG2-CB 4.35Å; H209-L211 VanDerWaalsContact C-N 3.27Å; H209-L211 PolarHBondContact O-N 2.82Å; H209-G212 PolarHBondContact O-N 2.99Å; H209-G212 VanDerWaalsContact O-N 3.1Å; H209-H272 AromaticContact CE1-CE1 3.54Å; H209-H272 AromaticContact CE1-NE2 3.33Å; H209-H272 PolarHBondContact CE1-NE2 3.16Å; H209-H272 VanDerWaalsContact CE1-NE2 3.33Å; H209-H272 AromaticContact ND1-CE1 3.56Å; H209-H272 AromaticContact ND1-NE2 3.81Å; H209-A458 HydrophobicContact CB-CB 4.48Å; H209-A458 VanDerWaalsContact O-CB 3.26Å; H209-A458 WeakPolarHBondContact O-CB 3.09Å; H209-Y459 HydrophobicContact CB-CE1 4.46Å; H209-Y459 HydrophobicContact CB-CE2 4.09Å |
| 210 | Y | 94.6 | Very high | 95 | Very high | 20 Ų | 20 | 24.9 Ų | 24.9 | 8% | 0.078 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -66.3 | -31.6 | 173.6 | -87.3 | -111.3 | 0 | 0 | 0 | 111.9 | D208 G212 K213 V216 L246 H272 F402 | D208-Y210 PolarHBondContact O-N 3.48Å; D208-Y210 VanDerWaalsContact O-N 3.11Å; D208-Y210 WeakPolarHBondContact OD1-CB 3.22Å; D208-Y210 PolarHBondContact OD1-N 2.89Å; Y210-G212 PolarHBondContact O-N 2.83Å; Y210-K213 HydrophobicContact CD1-CD 3.86Å; Y210-K213 HydrophobicContact CE1-CD 4.05Å; Y210-K213 HydrophobicContact CG-CD 4.22Å; Y210-K213 WeakPolarHBondContact O-CB 3.39Å; Y210-K213 PolarHBondContact O-N 3.08Å; Y210-V216 VanDerWaalsContact O-CB 3.23Å; Y210-V216 WeakPolarHBondContact O-CB 3.3Å; Y210-V216 WeakPolarHBondContact O-CG1 3.4Å; Y210-V216 WeakPolarHBondContact O-CG2 3.48Å; Y210-L246 HydrophobicContact CE1-CD1 4.26Å; Y210-L246 HydrophobicContact CE1-CD2 4.43Å; Y210-L246 WeakPolarHBondContact OH-CD1 3.03Å; Y210-L246 WeakPolarHBondContact OH-CD2 3.37Å; Y210-H272 HydrophobicContact CD1-CB 4.16Å; Y210-H272 HydrophobicContact CD2-CB 3.69Å; Y210-H272 AromaticContact CD2-CD2 3.47Å; Y210-H272 VanDerWaalsContact CD2-CD2 3.47Å; Y210-H272 WeakPolarHBondContact CD2-CD2 3.37Å; Y210-H272 AromaticContact CD2-CE1 3.76Å; Y210-H272 AromaticContact CD2-CG 3.26Å; Y210-H272 AromaticContact CD2-ND1 3.47Å; Y210-H272 WeakPolarHBondContact CD2-ND1 3.33Å; Y210-H272 AromaticContact CD2-NE2 3.77Å; Y210-H272 HydrophobicContact CE2-CB 4.12Å; Y210-H272 AromaticContact CE2-CD2 3.4Å; Y210-H272 VanDerWaalsContact CE2-CD2 3.4Å; Y210-H272 WeakPolarHBondContact CE2-CD2 3.31Å; Y210-H272 AromaticContact CE2-CG 3.66Å; Y210-H272 AromaticContact CE2-NE2 3.83Å; Y210-H272 HydrophobicContact CG-CB 3.72Å; Y210-H272 AromaticContact CG-CG 3.81Å; Y210-F402 HydrophobicContact CD1-CD2 4.32Å; Y210-F402 HydrophobicContact CD1-CE2 4.42Å; Y210-F402 AromaticContact CE1-CD2 3.95Å; Y210-F402 HydrophobicContact CE1-CD2 3.95Å; Y210-F402 HydrophobicContact CE1-CE2 4.32Å |
| 211 | L | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -65.7 | -17.8 | 174.4 | -66.9 | 176.1 | 0 | 0 | 0 | 112.9 | D208 H209 V216 S217 E275 L279 N473 | D208-L211 HydrophobicContact CB-CD1 4.17Å; D208-L211 HydrophobicContact CB-CG 4.29Å; D208-L211 WeakPolarHBondContact O-CB 3.29Å; D208-L211 PolarHBondContact O-N 3.37Å; H209-L211 VanDerWaalsContact C-N 3.27Å; H209-L211 PolarHBondContact O-N 2.82Å; L211-V216 HydrophobicContact CD2-CG1 4.31Å; L211-S217 PolarHBondContact O-OG 3.46Å; L211-E275 HydrophobicContact CD1-CG 4.15Å; L211-E275 HydrophobicContact CD2-CB 3.97Å; L211-E275 HydrophobicContact CD2-CG 4.46Å; L211-E275 HydrophobicContact CG-CB 4.28Å; L211-E275 HydrophobicContact CG-CG 4.38Å; L211-L279 HydrophobicContact CD2-CD1 3.91Å; L211-N473 HydrophobicContact CB-CB 4.19Å; L211-N473 WeakPolarHBondContact CB-O 3.27Å; L211-N473 VanDerWaalsContact CD1-O 3.3Å; L211-N473 WeakPolarHBondContact CD1-O 3.39Å |
| 212 | G | 94.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -87.3 | -12 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H209 Y210 Q214 | H209-G212 PolarHBondContact O-N 2.99Å; H209-G212 VanDerWaalsContact O-N 3.1Å; Y210-G212 PolarHBondContact O-N 2.83Å; G212-Q214 PolarHBondContact O-N 2.91Å |
| 213 | K | 95.3 | Very high | 95.5 | Very high | 50 Ų | 50 | 13.2 Ų | 13.2 | 22% | 0.217 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -67.9 | 123.5 | 175.5 | -70.6 | -179.9 | 177.6 | -73.5 | 0 | 108.7 | Y210 V215 V216 S217 F402 A458 | Y210-K213 HydrophobicContact CD1-CD 3.86Å; Y210-K213 HydrophobicContact CE1-CD 4.05Å; Y210-K213 HydrophobicContact CG-CD 4.22Å; Y210-K213 WeakPolarHBondContact O-CB 3.39Å; Y210-K213 PolarHBondContact O-N 3.08Å; K213-V215 PolarHBondContact O-N 2.88Å; K213-V216 HydrophobicContact CB-CB 4.28Å; K213-V216 HydrophobicContact CB-CG2 4Å; K213-V216 WeakPolarHBondContact O-CA 3.37Å; K213-V216 WeakPolarHBondContact O-CB 3.42Å; K213-V216 PolarHBondContact O-N 3.1Å; K213-S217 PolarHBondContact O-N 3.32Å; K213-S217 PolarHBondContact O-OG 2.8Å; K213-F402 HydrophobicContact CD-CB 4.41Å; K213-A458 HydrophobicContact CG-CB 4.35Å |
| 214 | Q | 93.9 | Very high | 95.4 | Very high | 27 Ų | 27 | 14.9 Ų | 14.9 | 13% | 0.126 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -49.6 | -39.8 | -174.1 | -67.9 | 176.4 | -75.5 | 0 | 0 | 113.6 | G212 K218 W428 T454 R456 E461 | G212-Q214 PolarHBondContact O-N 2.91Å; Q214-K218 WeakPolarHBondContact O-CB 3.28Å; Q214-K218 PolarHBondContact O-N 2.63Å; Q214-W428 HydrophobicContact CB-CZ2 4.34Å; Q214-T454 PolarHBondContact NE2-O 3.38Å; Q214-T454 PolarHBondContact OE1-O 3.41Å; Q214-R456 HydrophobicContact CG-CB 4.49Å; Q214-E461 HydrophobicContact CG-CG 4.45Å |
| 215 | V | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -70.1 | -33.4 | 178.1 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | K213 K218 I219 F400 F402 P410 V412 W428 | K213-V215 PolarHBondContact O-N 2.88Å; V215-K218 PolarHBondContact O-N 2.74Å; V215-I219 PolarHBondContact O-N 2.86Å; V215-F400 HydrophobicContact CG2-CB 4.05Å; V215-F400 HydrophobicContact CG2-CD1 4.3Å; V215-F402 HydrophobicContact CG1-CD1 3.67Å; V215-F402 HydrophobicContact CG1-CE1 4.48Å; V215-P410 HydrophobicContact CB-CB 4.37Å; V215-P410 HydrophobicContact CG1-CB 4.36Å; V215-V412 HydrophobicContact CG2-CG2 3.99Å; V215-W428 HydrophobicContact CB-CH2 4.21Å; V215-W428 HydrophobicContact CG2-CH2 4.44Å |
| 216 | V | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70.9 | -45.9 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | Y210 L211 K213 K218 I219 V276 L279 F402 | Y210-V216 VanDerWaalsContact O-CB 3.23Å; Y210-V216 WeakPolarHBondContact O-CB 3.3Å; Y210-V216 WeakPolarHBondContact O-CG1 3.4Å; Y210-V216 WeakPolarHBondContact O-CG2 3.48Å; L211-V216 HydrophobicContact CD2-CG1 4.31Å; K213-V216 HydrophobicContact CB-CB 4.28Å; K213-V216 HydrophobicContact CB-CG2 4Å; K213-V216 WeakPolarHBondContact O-CA 3.37Å; K213-V216 WeakPolarHBondContact O-CB 3.42Å; K213-V216 PolarHBondContact O-N 3.1Å; V216-K218 PolarHBondContact O-N 2.97Å; V216-I219 HydrophobicContact CG1-CD1 4.31Å; V216-I219 WeakPolarHBondContact O-CB 3.35Å; V216-I219 WeakPolarHBondContact O-CG1 3.45Å; V216-I219 PolarHBondContact O-N 3.04Å; V216-V276 HydrophobicContact CG1-CG2 4Å; V216-V276 HydrophobicContact CG2-CG2 4.15Å; V216-L279 HydrophobicContact CG1-CD1 3.67Å; V216-F402 HydrophobicContact CG2-CD1 3.94Å; V216-F402 HydrophobicContact CG2-CE1 3.74Å; V216-F402 HydrophobicContact CG2-CZ 4.26Å |
| 217 | S | 93.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 22.8 Ų | 22.8 | 21% | 0.21 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.6 | -24.7 | 174.8 | -43.1 | 0 | 0 | 0 | 0 | 112.4 | L211 K213 P221 | L211-S217 PolarHBondContact O-OG 3.46Å; K213-S217 PolarHBondContact O-N 3.32Å; K213-S217 PolarHBondContact O-OG 2.8Å; S217-P221 VanDerWaalsContact O-CD 3.22Å; S217-P221 WeakPolarHBondContact O-CD 3.4Å |
| 218 | K | 94.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13.4 | 176.4 | -170.8 | 60.5 | -177.3 | 176.7 | 0 | 114 | Q214 V215 V216 L220 P221 F222 E225 V412 W428 | Q214-K218 WeakPolarHBondContact O-CB 3.28Å; Q214-K218 PolarHBondContact O-N 2.63Å; V215-K218 PolarHBondContact O-N 2.74Å; V216-K218 PolarHBondContact O-N 2.97Å; K218-L220 PolarHBondContact O-N 3.21Å; K218-P221 HydrophobicContact CD-CB 4.26Å; K218-P221 WeakPolarHBondContact O-CD 3.43Å; K218-F222 HydrophobicContact CG-CB 4.35Å; K218-F222 WeakPolarHBondContact O-CB 3.42Å; K218-F222 PolarHBondContact O-N 3.1Å; K218-E225 IonicContact NZ-OE1 3.84Å; K218-E225 PolarHBondContact NZ-OE1 3.32Å; K218-E225 IonicContact NZ-OE2 2.73Å; K218-E225 PolarHBondContact NZ-OE2 3.2Å; K218-V412 HydrophobicContact CG-CG2 4.43Å; K218-W428 HydrophobicContact CB-CH2 4.08Å; K218-W428 HydrophobicContact CB-CZ2 3.56Å; K218-W428 HydrophobicContact CD-CZ2 4.29Å; K218-W428 HydrophobicContact CG-CD2 4.42Å; K218-W428 HydrophobicContact CG-CH2 4.14Å; K218-W428 HydrophobicContact CG-CZ2 3.69Å |
| 219 | I | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.7 | -52.2 | -176.8 | -67.3 | 169.9 | 0 | 0 | 0 | 111.9 | V215 V216 R223 V276 L279 L280 F400 | V215-I219 PolarHBondContact O-N 2.86Å; V216-I219 HydrophobicContact CG1-CD1 4.31Å; V216-I219 WeakPolarHBondContact O-CB 3.35Å; V216-I219 WeakPolarHBondContact O-CG1 3.45Å; V216-I219 PolarHBondContact O-N 3.04Å; I219-R223 WeakPolarHBondContact O-CG 3.34Å; I219-R223 PolarHBondContact O-N 3.32Å; I219-V276 HydrophobicContact CD1-CG1 4.13Å; I219-L279 HydrophobicContact CB-CB 4.22Å; I219-L279 HydrophobicContact CD1-CB 4.29Å; I219-L279 HydrophobicContact CD1-CD1 4.29Å; I219-L279 HydrophobicContact CG2-CB 3.83Å; I219-L280 HydrophobicContact CD1-CD2 4.49Å; I219-L280 HydrophobicContact CG2-CD2 3.9Å; I219-L280 HydrophobicContact CG2-CG 4.41Å; I219-F400 HydrophobicContact CB-CE1 4.31Å; I219-F400 HydrophobicContact CD1-CG 4.46Å; I219-F400 HydrophobicContact CG1-CB 4.49Å; I219-F400 HydrophobicContact CG1-CD1 3.64Å; I219-F400 HydrophobicContact CG1-CD2 4.29Å; I219-F400 HydrophobicContact CG1-CE1 3.85Å; I219-F400 HydrophobicContact CG1-CE2 4.45Å; I219-F400 HydrophobicContact CG1-CG 3.89Å; I219-F400 HydrophobicContact CG1-CZ 4.25Å; I219-F400 HydrophobicContact CG2-CZ 4.38Å |
| 220 | L | 94.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.8 | -48.1 | -178.2 | -60 | 174.5 | 0 | 0 | 0 | 113.4 | K218 F222 R223 M224 L279 M282 V288 V294 | K218-L220 PolarHBondContact O-N 3.21Å; L220-F222 VanDerWaalsContact C-N 3.25Å; L220-F222 PolarHBondContact O-N 3.42Å; L220-R223 PolarHBondContact O-N 3.36Å; L220-M224 PolarHBondContact O-N 2.84Å; L220-L279 HydrophobicContact CD1-CD2 3.58Å; L220-L279 HydrophobicContact CD2-CB 4.37Å; L220-L279 HydrophobicContact CD2-CD2 4.25Å; L220-L279 VanDerWaalsContact CD2-O 3.27Å; L220-L279 WeakPolarHBondContact CD2-O 3.44Å; L220-L279 HydrophobicContact CG-CB 4.49Å; L220-L279 HydrophobicContact CG-CD2 3.78Å; L220-M282 HydrophobicContact CD1-CE 3.35Å; L220-M282 HydrophobicContact CD2-CE 3.38Å; L220-M282 HydrophobicContact CD2-CG 4.38Å; L220-M282 HydrophobicContact CG-CE 3.96Å; L220-V288 HydrophobicContact CB-CG1 4.44Å; L220-V294 HydrophobicContact CD1-CG1 4.27Å |
| 221 | P | 94.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 36 Ų | 36 | 24% | 0.24 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.5 | -40.8 | 173.5 | -24.5 | 33.6 | 0 | 0 | 0 | 112.1 | S217 K218 R223 M224 E225 | S217-P221 VanDerWaalsContact O-CD 3.22Å; S217-P221 WeakPolarHBondContact O-CD 3.4Å; K218-P221 HydrophobicContact CD-CB 4.26Å; K218-P221 WeakPolarHBondContact O-CD 3.43Å; P221-R223 PolarHBondContact O-N 3.41Å; P221-M224 PolarHBondContact O-N 3.43Å; P221-E225 VanDerWaalsContact O-CB 3.28Å; P221-E225 WeakPolarHBondContact O-CB 3.41Å; P221-E225 WeakPolarHBondContact O-CG 3.26Å; P221-E225 PolarHBondContact O-N 3.13Å |
| 222 | F | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 176.4 | 176.2 | -89.6 | 0 | 0 | 0 | 112 | K218 L220 M224 E225 N226 L230 I398 F400 V412 V414 F419 P421 | K218-F222 HydrophobicContact CG-CB 4.35Å; K218-F222 WeakPolarHBondContact O-CB 3.42Å; K218-F222 PolarHBondContact O-N 3.1Å; L220-F222 VanDerWaalsContact C-N 3.25Å; L220-F222 PolarHBondContact O-N 3.42Å; F222-M224 VanDerWaalsContact C-N 3.3Å; F222-M224 PolarHBondContact O-N 3.03Å; F222-E225 PolarHBondContact O-N 3.34Å; F222-N226 WeakPolarHBondContact CD2-ND2 3.38Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.23Å; F222-N226 WeakPolarHBondContact O-CB 3.47Å; F222-N226 PolarHBondContact O-N 2.89Å; F222-N226 PolarHBondContact O-ND2 2.99Å; F222-L230 HydrophobicContact CD1-CD1 4.44Å; F222-L230 HydrophobicContact CE1-CD1 4.18Å; F222-I398 HydrophobicContact CE1-CG2 4.14Å; F222-I398 HydrophobicContact CZ-CG2 4.41Å; F222-F400 HydrophobicContact CB-CE1 4.22Å; F222-F400 AromaticContact CD1-CE1 3.98Å; F222-F400 HydrophobicContact CD1-CE1 3.98Å; F222-F400 AromaticContact CD1-CZ 3.65Å; F222-F400 HydrophobicContact CD1-CZ 3.65Å; F222-F400 HydrophobicContact CE1-CZ 4.1Å; F222-F400 HydrophobicContact CG-CE1 4.09Å; F222-F400 HydrophobicContact CG-CZ 4.24Å; F222-V412 HydrophobicContact CD2-CG1 3.94Å; F222-V412 HydrophobicContact CE2-CG1 3.7Å; F222-V412 HydrophobicContact CG-CG1 4.5Å; F222-V412 HydrophobicContact CZ-CG1 4.09Å; F222-V414 HydrophobicContact CE2-CG2 4.14Å; F222-V414 HydrophobicContact CZ-CG2 3.69Å; F222-F419 HydrophobicContact CZ-CZ 4.44Å; F222-P421 HydrophobicContact CE2-CB 3.82Å; F222-P421 HydrophobicContact CZ-CB 4.31Å |
| 223 | R | 95.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 178 | -71.3 | 174 | 69.9 | -156.6 | -1.2 | 111.7 | I219 L220 P221 R227 L230 W234 L279 L280 M282 L284 | I219-R223 WeakPolarHBondContact O-CG 3.34Å; I219-R223 PolarHBondContact O-N 3.32Å; L220-R223 PolarHBondContact O-N 3.36Å; P221-R223 PolarHBondContact O-N 3.41Å; R223-R227 WeakPolarHBondContact O-CA 3.29Å; R223-R227 PolarHBondContact O-N 3.24Å; R223-R227 VanDerWaalsContact O-N 3.13Å; R223-L230 HydrophobicContact CB-CD1 4.32Å; R223-L230 HydrophobicContact CG-CD1 4.41Å; R223-W234 HydrophobicContact CG-CH2 4.47Å; R223-W234 HydrophobicContact CG-CZ2 4.41Å; R223-L279 PolarHBondContact NH1-O 3.29Å; R223-L280 VanDerWaalsContact CZ-O 3.29Å; R223-L280 PolarHBondContact NH1-O 2.88Å; R223-M282 PolarHBondContact NH1-O 3.11Å; R223-M282 PolarHBondContact NH2-O 3.33Å; R223-L284 HydrophobicContact CB-CD1 4.25Å; R223-L284 HydrophobicContact CB-CD2 3.69Å |
| 224 | M | 94.1 | Very high | 95.5 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 24% | 0.241 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70 | -46 | 177.5 | -77.2 | -68.5 | -72.1 | 0 | 0 | 113.4 | L220 P221 F222 N226 R227 L284 V288 | L220-M224 PolarHBondContact O-N 2.84Å; P221-M224 PolarHBondContact O-N 3.43Å; F222-M224 VanDerWaalsContact C-N 3.3Å; F222-M224 PolarHBondContact O-N 3.03Å; M224-N226 PolarHBondContact O-N 3.15Å; M224-R227 VanDerWaalsContact O-CB 3.23Å; M224-R227 WeakPolarHBondContact O-CB 3.45Å; M224-R227 PolarHBondContact O-N 2.78Å; M224-L284 HydrophobicContact CG-CD1 4.48Å; M224-L284 HydrophobicContact CG-CD2 4.11Å; M224-L284 HydrophobicContact SD-CB 3.93Å; M224-L284 HydrophobicContact SD-CD1 3.93Å; M224-L284 HydrophobicContact SD-CD2 4.26Å; M224-L284 HydrophobicContact SD-CG 4.26Å; M224-V288 HydrophobicContact CB-CG1 4.42Å; M224-V288 HydrophobicContact CG-CG1 3.6Å |
| 225 | E | 94.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 23% | 0.234 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -32.2 | 179.7 | -73 | 163.3 | -151.9 | 0 | 0 | 111.8 | K218 P221 F222 K424 | K218-E225 IonicContact NZ-OE1 3.84Å; K218-E225 PolarHBondContact NZ-OE1 3.32Å; K218-E225 IonicContact NZ-OE2 2.73Å; K218-E225 PolarHBondContact NZ-OE2 3.2Å; P221-E225 VanDerWaalsContact O-CB 3.28Å; P221-E225 WeakPolarHBondContact O-CB 3.41Å; P221-E225 WeakPolarHBondContact O-CG 3.26Å; P221-E225 PolarHBondContact O-N 3.13Å; F222-E225 PolarHBondContact O-N 3.34Å; E225-K424 HydrophobicContact CG-CD 4.33Å |
| 226 | N | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 14.2 | -178.9 | -63.8 | -79.8 | 0 | 0 | 0 | 113.4 | F222 M224 K228 F229 L230 F419 P421 V422 | F222-N226 WeakPolarHBondContact CD2-ND2 3.38Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.23Å; F222-N226 WeakPolarHBondContact O-CB 3.47Å; F222-N226 PolarHBondContact O-N 2.89Å; F222-N226 PolarHBondContact O-ND2 2.99Å; M224-N226 PolarHBondContact O-N 3.15Å; N226-K228 PolarHBondContact O-N 2.98Å; N226-K228 VanDerWaalsContact O-N 3.1Å; N226-F229 PolarHBondContact O-N 3.15Å; N226-L230 HydrophobicContact CB-CD1 3.76Å; N226-L230 HydrophobicContact CB-CG 4.11Å; N226-L230 PolarHBondContact O-N 3.37Å; N226-F419 HydrophobicContact CB-CE2 3.97Å; N226-F419 HydrophobicContact CB-CZ 4.28Å; N226-P421 WeakPolarHBondContact OD1-CA 3.34Å; N226-V422 PolarHBondContact OD1-N 3.48Å |
| 227 | R | 94.9 | Very high | 95.6 | Very high | 128 Ų | 128 | 48.8 Ų | 48.8 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -49.8 | -41.2 | -175 | -174.4 | 178.6 | 176.8 | 175 | 0.8 | 113.7 | R223 M224 F229 L230 D231 | R223-R227 WeakPolarHBondContact O-CA 3.29Å; R223-R227 PolarHBondContact O-N 3.24Å; R223-R227 VanDerWaalsContact O-N 3.13Å; M224-R227 VanDerWaalsContact O-CB 3.23Å; M224-R227 WeakPolarHBondContact O-CB 3.45Å; M224-R227 PolarHBondContact O-N 2.78Å; R227-F229 PolarHBondContact O-N 3.46Å; R227-L230 PolarHBondContact O-N 2.63Å; R227-D231 VanDerWaalsContact CG-CG 3.41Å; R227-D231 VanDerWaalsContact CG-OD1 3.26Å; R227-D231 WeakPolarHBondContact CG-OD1 3.01Å; R227-D231 WeakPolarHBondContact CG-OD2 3.49Å; R227-D231 IonicContact CZ-OD2 3.76Å; R227-D231 IonicContact NE-OD1 3.33Å; R227-D231 IonicContact NE-OD2 3.87Å; R227-D231 PolarHBondContact NE-OD2 3.47Å; R227-D231 IonicContact NH2-OD2 3.77Å; R227-D231 WeakPolarHBondContact O-CB 3.37Å; R227-D231 PolarHBondContact O-N 2.92Å |
| 228 | K | 95.8 | Very high | 95.8 | Very high | 179 Ų | 179 | 51.2 Ų | 51.2 | 78% | 0.778 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -54.6 | -36.2 | 177.2 | -179.5 | -179 | 175.6 | -176.8 | 0 | 113.1 | N226 | N226-K228 PolarHBondContact O-N 2.98Å; N226-K228 VanDerWaalsContact O-N 3.1Å |
| 229 | F | 96.7 | Very high | 96 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -92.2 | -31.3 | -179.8 | -57.6 | -70.2 | 0 | 0 | 0 | 112.3 | N226 R227 F419 V422 | N226-F229 PolarHBondContact O-N 3.15Å; R227-F229 PolarHBondContact O-N 3.46Å; F229-F419 HydrophobicContact CB-CB 4.3Å; F229-F419 HydrophobicContact CB-CD1 3.89Å; F229-F419 HydrophobicContact CB-CD2 3.77Å; F229-F419 HydrophobicContact CB-CE1 4.16Å; F229-F419 HydrophobicContact CB-CE2 4.04Å; F229-F419 HydrophobicContact CB-CG 3.71Å; F229-F419 HydrophobicContact CB-CZ 4.24Å; F229-F419 HydrophobicContact CD1-CB 4.05Å; F229-F419 HydrophobicContact CD1-CG 4.34Å; F229-F419 AromaticContact CD2-CD2 3.75Å; F229-F419 HydrophobicContact CD2-CD2 3.75Å; F229-F419 HydrophobicContact CD2-CE2 4.2Å; F229-F419 HydrophobicContact CD2-CG 4.35Å; F229-F419 HydrophobicContact CE2-CD2 4.47Å; F229-F419 HydrophobicContact CG-CB 4.12Å; F229-F419 AromaticContact CG-CD2 3.77Å; F229-F419 HydrophobicContact CG-CD2 3.77Å; F229-F419 HydrophobicContact CG-CE2 4.37Å; F229-F419 AromaticContact CG-CG 3.9Å; F229-F419 HydrophobicContact CG-CG 3.9Å; F229-V422 HydrophobicContact CE2-CG2 4.35Å |
| 230 | L | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -84.3 | -39.6 | -173.3 | -69.8 | 174 | 0 | 0 | 0 | 113.6 | F222 R223 N226 R227 P232 I233 W234 I398 F419 | F222-L230 HydrophobicContact CD1-CD1 4.44Å; F222-L230 HydrophobicContact CE1-CD1 4.18Å; R223-L230 HydrophobicContact CB-CD1 4.32Å; R223-L230 HydrophobicContact CG-CD1 4.41Å; N226-L230 HydrophobicContact CB-CD1 3.76Å; N226-L230 HydrophobicContact CB-CG 4.11Å; N226-L230 PolarHBondContact O-N 3.37Å; R227-L230 PolarHBondContact O-N 2.63Å; L230-P232 VanDerWaalsContact C-CD 3.42Å; L230-P232 VanDerWaalsContact C-N 3.31Å; L230-I233 HydrophobicContact CD2-CD1 4.44Å; L230-I233 CarbonylContact O-C 3.59Å; L230-I233 PolarHBondContact O-N 2.88Å; L230-W234 HydrophobicContact CD2-CE3 3.6Å; L230-W234 HydrophobicContact CD2-CZ3 3.83Å; L230-W234 HydrophobicContact CG-CE3 4.43Å; L230-W234 VanDerWaalsContact O-CB 3.28Å; L230-W234 WeakPolarHBondContact O-CB 3.3Å; L230-W234 PolarHBondContact O-N 3.26Å; L230-I398 HydrophobicContact CD2-CD1 3.72Å; L230-F419 HydrophobicContact CD2-CE1 3.8Å; L230-F419 HydrophobicContact CD2-CZ 3.77Å; L230-F419 HydrophobicContact CG-CE1 4.47Å; L230-F419 HydrophobicContact CG-CZ 4.12Å |
| 231 | D | 95 | Very high | 96.2 | Very high | 82 Ų | 82 | 57 Ų | 57 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -41.2 | -176.1 | -77.8 | 1.1 | 0 | 0 | 0 | 113.6 | R227 I233 | R227-D231 VanDerWaalsContact CG-CG 3.41Å; R227-D231 VanDerWaalsContact CG-OD1 3.26Å; R227-D231 WeakPolarHBondContact CG-OD1 3.01Å; R227-D231 WeakPolarHBondContact CG-OD2 3.49Å; R227-D231 IonicContact CZ-OD2 3.76Å; R227-D231 IonicContact NE-OD1 3.33Å; R227-D231 IonicContact NE-OD2 3.87Å; R227-D231 PolarHBondContact NE-OD2 3.47Å; R227-D231 IonicContact NH2-OD2 3.77Å; R227-D231 WeakPolarHBondContact O-CB 3.37Å; R227-D231 PolarHBondContact O-N 2.92Å; D231-I233 VanDerWaalsContact C-N 3.34Å; D231-I233 PolarHBondContact O-N 2.84Å |
| 232 | P | 96.3 | Very high | 96.4 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -28.5 | 177.9 | -21.2 | 34.3 | 0 | 0 | 0 | 114.6 | L230 N235 H238 | L230-P232 VanDerWaalsContact C-CD 3.42Å; L230-P232 VanDerWaalsContact C-N 3.31Å; P232-N235 PolarHBondContact O-ND2 2.89Å; P232-H238 PolarHBondContact O-CE1 3.4Å; P232-H238 PolarHBondContact O-ND1 3.48Å |
| 233 | I | 96.4 | Very high | 96.5 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -11.9 | -169.5 | 66.4 | 173.2 | 0 | 0 | 0 | 114 | L230 D231 N235 H238 F378 L418 F419 | L230-I233 HydrophobicContact CD2-CD1 4.44Å; L230-I233 CarbonylContact O-C 3.59Å; L230-I233 PolarHBondContact O-N 2.88Å; D231-I233 VanDerWaalsContact C-N 3.34Å; D231-I233 PolarHBondContact O-N 2.84Å; I233-N235 PolarHBondContact O-N 2.8Å; I233-H238 HydrophobicContact CB-CB 4.18Å; I233-H238 WeakPolarHBondContact O-CB 3.37Å; I233-F378 HydrophobicContact CB-CD1 4.46Å; I233-F378 HydrophobicContact CB-CE1 4.11Å; I233-F378 HydrophobicContact CD1-CD1 4.45Å; I233-F378 HydrophobicContact CD1-CE1 3.82Å; I233-F378 HydrophobicContact CD1-CZ 4.04Å; I233-F378 HydrophobicContact CG1-CE1 3.88Å; I233-F378 HydrophobicContact CG1-CZ 4.42Å; I233-F378 WeakPolarHBondContact O-CE1 3.39Å; I233-L418 HydrophobicContact CD1-CD2 4.25Å; I233-F419 HydrophobicContact CD1-CE1 4.45Å |
| 234 | W | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -84.8 | 58.8 | -177.2 | -156.4 | -88.4 | 0 | 0 | 0 | 111.4 | R223 L230 I239 L280 Q353 Y354 V376 F378 I398 | R223-W234 HydrophobicContact CG-CH2 4.47Å; R223-W234 HydrophobicContact CG-CZ2 4.41Å; L230-W234 HydrophobicContact CD2-CE3 3.6Å; L230-W234 HydrophobicContact CD2-CZ3 3.83Å; L230-W234 HydrophobicContact CG-CE3 4.43Å; L230-W234 VanDerWaalsContact O-CB 3.28Å; L230-W234 WeakPolarHBondContact O-CB 3.3Å; L230-W234 PolarHBondContact O-N 3.26Å; W234-I239 HydrophobicContact CD2-CD1 4.46Å; W234-I239 HydrophobicContact CG-CD1 4.31Å; W234-L280 HydrophobicContact CZ2-CD2 4.4Å; W234-L280 WeakPolarHBondContact CZ2-O 3.47Å; W234-L280 PolarHBondContact NE1-O 2.9Å; W234-Q353 WeakPolarHBondContact O-CG 3.34Å; W234-Q353 PolarHBondContact O-NE2 3.21Å; W234-Y354 PolarHBondContact NE1-OH 3.03Å; W234-Y354 VanDerWaalsContact NE1-OH 3.08Å; W234-V376 HydrophobicContact CH2-CB 4.27Å; W234-V376 HydrophobicContact CH2-CG1 4.44Å; W234-V376 HydrophobicContact CH2-CG2 3.63Å; W234-V376 HydrophobicContact CZ2-CG2 3.93Å; W234-V376 HydrophobicContact CZ3-CG1 4.42Å; W234-V376 HydrophobicContact CZ3-CG2 4.34Å; W234-F378 HydrophobicContact CE3-CZ 4.2Å; W234-F378 HydrophobicContact CZ3-CZ 4.33Å; W234-I398 HydrophobicContact CZ3-CD1 3.92Å |
| 235 | N | 96.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -154.4 | 167.1 | -176.7 | 58.8 | 68.5 | 0 | 0 | 0 | 111.3 | P232 I233 H237 H238 I239 Q353 | P232-N235 PolarHBondContact O-ND2 2.89Å; I233-N235 PolarHBondContact O-N 2.8Å; N235-H237 PolarHBondContact O-N 2.87Å; N235-H237 WeakPolarHBondContact OD1-CB 3.43Å; N235-H237 PolarHBondContact OD1-N 3.27Å; N235-H237 VanDerWaalsContact OD1-N 3.1Å; N235-H238 PolarHBondContact O-N 3.33Å; N235-H238 PolarHBondContact OD1-ND1 2.89Å; N235-I239 PolarHBondContact O-N 3.03Å; N235-Q353 CarbonylContact C-O 3.47Å; N235-Q353 WeakPolarHBondContact CA-O 3.33Å; N235-Q353 HydrophobicContact CB-CG 4.24Å |
| 236 | R | 96.3 | Very high | 97 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -24.7 | -178.6 | 71.9 | 177.2 | -163.2 | -177.9 | 9.7 | 115.9 | H238 A352 Q353 E355 V357 K379 | R236-H238 VanDerWaalsContact C-N 3.28Å; R236-A352 WeakPolarHBondContact CD-O 3.32Å; R236-Q353 PolarHBondContact N-O 3.09Å; R236-E355 WeakPolarHBondContact CB-O 3.41Å; R236-E355 IonicContact CZ-OE2 2.78Å; R236-E355 IonicContact NH1-OE2 3.03Å; R236-E355 PolarHBondContact NH1-OE2 2.96Å; R236-V357 HydrophobicContact CB-CG2 3.75Å; R236-K379 PolarHBondContact O-NZ 3.41Å |
| 237 | H | 96.4 | Very high | 97 | Very high | 117 Ų | 117 | 53.3 Ų | 53.3 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -28.9 | -179.7 | -63.4 | -72 | 0 | 0 | 0 | 111 | N235 K379 | N235-H237 PolarHBondContact O-N 2.87Å; N235-H237 WeakPolarHBondContact OD1-CB 3.43Å; N235-H237 PolarHBondContact OD1-N 3.27Å; N235-H237 VanDerWaalsContact OD1-N 3.1Å; H237-K379 WeakPolarHBondContact O-CD 3.2Å; H237-K379 PolarHBondContact O-NZ 3.08Å |
| 238 | H | 97.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 38% | 0.375 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -30.3 | -173.7 | -59.4 | 86.8 | 0 | 0 | 0 | 113.3 | P232 I233 N235 R236 F378 K379 | P232-H238 PolarHBondContact O-CE1 3.4Å; P232-H238 PolarHBondContact O-ND1 3.48Å; I233-H238 HydrophobicContact CB-CB 4.18Å; I233-H238 WeakPolarHBondContact O-CB 3.37Å; N235-H238 PolarHBondContact O-N 3.33Å; N235-H238 PolarHBondContact OD1-ND1 2.89Å; R236-H238 VanDerWaalsContact C-N 3.28Å; H238-F378 HydrophobicContact CB-CD1 4.33Å; H238-F378 CarbonylContact O-C 3.48Å; H238-F378 VanDerWaalsContact O-CA 3.22Å; H238-F378 WeakPolarHBondContact O-CA 3.43Å; H238-F378 WeakPolarHBondContact O-CB 3.45Å; H238-K379 PolarHBondContact O-N 3.5Å |
| 239 | I | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127 | 175.4 | -61.6 | 175.1 | 0 | 0 | 0 | 108.4 | W234 N235 I242 Y354 V357 V376 F378 K379 | W234-I239 HydrophobicContact CD2-CD1 4.46Å; W234-I239 HydrophobicContact CG-CD1 4.31Å; N235-I239 PolarHBondContact O-N 3.03Å; I239-I242 HydrophobicContact CG2-CG1 4.11Å; I239-Y354 HydrophobicContact CD1-CE1 4.2Å; I239-V357 HydrophobicContact CB-CG1 4.43Å; I239-V357 HydrophobicContact CG2-CG1 3.64Å; I239-V376 HydrophobicContact CD1-CG1 4.02Å; I239-V376 HydrophobicContact CG1-CG1 4Å; I239-V376 HydrophobicContact CG2-CG1 4.09Å; I239-F378 HydrophobicContact CG1-CD1 4.22Å; I239-F378 HydrophobicContact CG1-CE1 4.04Å; I239-K379 VanDerWaalsContact O-CE 3.29Å; I239-K379 WeakPolarHBondContact O-CE 3.25Å |
| 240 | E | 97.1 | Very high | 97 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -50.4 | 172.3 | -173.1 | -173.5 | 131.4 | 0 | 0 | 110.3 | P358 L377 K379 | E240-P358 WeakPolarHBondContact O-CD 3.3Å; E240-L377 HydrophobicContact CB-CG 4.48Å; E240-L377 PolarHBondContact N-O 2.9Å; E240-K379 HydrophobicContact CB-CG 3.82Å; E240-K379 HydrophobicContact CG-CG 4.4Å |
| 241 | R | 97.5 | Very high | 96.7 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 161.1 | 179.1 | 65.6 | -169.6 | -168.5 | -107.1 | 0.7 | 112.3 | E243 P358 L377 | R241-E243 HydrophobicContact CG-CG 4.43Å; R241-E243 IonicContact CZ-OE1 2.89Å; R241-E243 VanDerWaalsContact CZ-OE1 3.23Å; R241-E243 IonicContact NE-OE1 3.75Å; R241-E243 PolarHBondContact NE-OE1 3.45Å; R241-E243 IonicContact NH2-OE1 3.69Å; R241-E243 PolarHBondContact NH2-OE1 3.3Å; R241-P358 HydrophobicContact CB-CG 3.69Å; R241-L377 HydrophobicContact CG-CB 4.16Å; R241-L377 HydrophobicContact CG-CD2 4.2Å; R241-L377 PolarHBondContact N-O 3.31Å; R241-L377 PolarHBondContact O-N 3.43Å |
| 242 | I | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.2 | 173.4 | -58.3 | 175.5 | 0 | 0 | 0 | 108 | I239 I244 L280 T281 Y354 V357 P358 V359 L360 R375 V376 | I239-I242 HydrophobicContact CG2-CG1 4.11Å; I242-I244 HydrophobicContact CG2-CD1 4.47Å; I242-I244 HydrophobicContact CG2-CG1 4.38Å; I242-L280 HydrophobicContact CG2-CD1 3.96Å; I242-T281 HydrophobicContact CD1-CG2 3.73Å; I242-Y354 HydrophobicContact CD1-CD1 4.43Å; I242-Y354 HydrophobicContact CD1-CE1 4.33Å; I242-V357 HydrophobicContact CG1-CG1 4.4Å; I242-P358 PolarHBondContact N-O 3.03Å; I242-V359 HydrophobicContact CB-CG1 4.25Å; I242-V359 HydrophobicContact CB-CG2 4.26Å; I242-V359 HydrophobicContact CD1-CG2 4.36Å; I242-V359 HydrophobicContact CG2-CG1 4.21Å; I242-V359 CarbonylContact O-C 3.54Å; I242-V359 WeakPolarHBondContact O-CA 3.43Å; I242-L360 PolarHBondContact O-N 3.44Å; I242-R375 WeakPolarHBondContact CA-O 3.41Å; I242-V376 HydrophobicContact CG1-CG2 4.43Å |
| 243 | E | 98.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.6 | 179.9 | -62.3 | 172 | -176.4 | 0 | 0 | 110 | R241 V245 L360 A374 R375 | R241-E243 HydrophobicContact CG-CG 4.43Å; R241-E243 IonicContact CZ-OE1 2.89Å; R241-E243 VanDerWaalsContact CZ-OE1 3.23Å; R241-E243 IonicContact NE-OE1 3.75Å; R241-E243 PolarHBondContact NE-OE1 3.45Å; R241-E243 IonicContact NH2-OE1 3.69Å; R241-E243 PolarHBondContact NH2-OE1 3.3Å; E243-V245 HydrophobicContact CB-CG2 4.47Å; E243-L360 CarbonylContact C-O 3.59Å; E243-L360 WeakPolarHBondContact CA-O 3.36Å; E243-L360 HydrophobicContact CG-CB 4.39Å; E243-A374 CarbonylContact O-C 3.48Å; E243-A374 WeakPolarHBondContact O-CA 3.25Å; E243-R375 HydrophobicContact CB-CB 4.39Å; E243-R375 PolarHBondContact N-O 2.73Å; E243-R375 PolarHBondContact O-N 3.44Å; E243-R375 IonicContact OE1-CZ 2.63Å; E243-R375 IonicContact OE1-NE 3.32Å; E243-R375 IonicContact OE1-NH2 3.8Å; E243-R375 PolarHBondContact OE1-NH2 2.63Å; E243-R375 IonicContact OE2-CZ 2.66Å; E243-R375 IonicContact OE2-NE 3.57Å; E243-R375 PolarHBondContact OE2-NE 3.38Å; E243-R375 IonicContact OE2-NH2 2.77Å; E243-R375 PolarHBondContact OE2-NH2 3.4Å |
| 244 | I | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 110.7 | 179.2 | -56.9 | 160.7 | 0 | 0 | 0 | 106 | I242 L273 V276 M277 L280 V359 L360 L361 V362 Y373 A374 | I242-I244 HydrophobicContact CG2-CD1 4.47Å; I242-I244 HydrophobicContact CG2-CG1 4.38Å; I244-L273 HydrophobicContact CG2-CB 3.8Å; I244-L273 HydrophobicContact CG2-CD1 4.48Å; I244-L273 HydrophobicContact CG2-CD2 3.86Å; I244-L273 HydrophobicContact CG2-CG 4.21Å; I244-V276 HydrophobicContact CD1-CG1 4.3Å; I244-V276 HydrophobicContact CG1-CG1 4.27Å; I244-V276 HydrophobicContact CG2-CB 4.18Å; I244-V276 HydrophobicContact CG2-CG1 3.91Å; I244-M277 VanDerWaalsContact CD1-CA 3.42Å; I244-M277 HydrophobicContact CD1-CB 3.39Å; I244-M277 HydrophobicContact CD1-CG 3.97Å; I244-L280 HydrophobicContact CD1-CD1 4.01Å; I244-L280 HydrophobicContact CG1-CD1 4Å; I244-V359 HydrophobicContact CD1-CG1 4.46Å; I244-L360 PolarHBondContact N-O 2.82Å; I244-L361 HydrophobicContact CB-CD2 4.1Å; I244-L361 HydrophobicContact CD1-CD2 3.85Å; I244-L361 HydrophobicContact CG2-CD2 4.44Å; I244-L361 CarbonylContact O-C 3.54Å; I244-L361 WeakPolarHBondContact O-CA 3.37Å; I244-V362 PolarHBondContact O-N 2.86Å; I244-Y373 WeakPolarHBondContact CA-O 3.41Å; I244-A374 HydrophobicContact CG1-CB 4.25Å |
| 245 | V | 98.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.1 | -165.2 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | E243 K247 V362 G372 Y373 | E243-V245 HydrophobicContact CB-CG2 4.47Å; V245-K247 HydrophobicContact CG1-CD 4.07Å; V245-K247 HydrophobicContact CG1-CG 3.79Å; V245-V362 CarbonylContact C-O 3.58Å; V245-V362 WeakPolarHBondContact CA-O 3.37Å; V245-V362 HydrophobicContact CG1-CB 4.34Å; V245-V362 HydrophobicContact CG2-CB 4.1Å; V245-V362 HydrophobicContact CG2-CG2 4.23Å; V245-G372 CarbonylContact O-C 3.55Å; V245-G372 VanDerWaalsContact O-CA 3.3Å; V245-G372 WeakPolarHBondContact O-CA 3.3Å; V245-Y373 HydrophobicContact CB-CD1 4.18Å; V245-Y373 HydrophobicContact CB-CD2 4.43Å; V245-Y373 HydrophobicContact CB-CE1 3.7Å; V245-Y373 HydrophobicContact CB-CE2 3.97Å; V245-Y373 HydrophobicContact CG1-CE1 3.89Å; V245-Y373 HydrophobicContact CG2-CE1 4.22Å; V245-Y373 HydrophobicContact CG2-CE2 3.81Å; V245-Y373 WeakPolarHBondContact CG2-OH 3.39Å; V245-Y373 PolarHBondContact N-O 3.09Å; V245-Y373 PolarHBondContact O-N 3.4Å |
| 246 | L | 97.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 104.4 | 169.3 | -177.2 | 70.9 | 0 | 0 | 0 | 110.5 | Y210 V268 L273 V362 S363 G364 | Y210-L246 HydrophobicContact CE1-CD1 4.26Å; Y210-L246 HydrophobicContact CE1-CD2 4.43Å; Y210-L246 WeakPolarHBondContact OH-CD1 3.03Å; Y210-L246 WeakPolarHBondContact OH-CD2 3.37Å; L246-V268 HydrophobicContact CB-CG1 4.28Å; L246-V268 HydrophobicContact CD2-CG1 3.57Å; L246-V268 HydrophobicContact CD2-CG2 4.18Å; L246-L273 HydrophobicContact CB-CD2 3.97Å; L246-V362 PolarHBondContact N-O 3.32Å; L246-S363 WeakPolarHBondContact O-CA 3.48Å; L246-S363 WeakPolarHBondContact O-CB 3.47Å; L246-S363 PolarHBondContact O-OG 2.92Å; L246-G364 PolarHBondContact O-N 3.36Å |
| 247 | K | 96.9 | Very high | 94.6 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.1 | 176.9 | -59 | 170.4 | 55.6 | -177.1 | 0 | 110.1 | V245 L367 D368 E369 S370 V371 | V245-K247 HydrophobicContact CG1-CD 4.07Å; V245-K247 HydrophobicContact CG1-CG 3.79Å; K247-L367 HydrophobicContact CB-CB 4.23Å; K247-L367 HydrophobicContact CB-CD1 3.74Å; K247-L367 HydrophobicContact CG-CD1 3.65Å; K247-D368 WeakPolarHBondContact CE-OD1 3.33Å; K247-D368 IonicContact NZ-OD1 3.15Å; K247-D368 PolarHBondContact NZ-OD1 3.33Å; K247-D368 IonicContact NZ-OD2 2.74Å; K247-D368 PolarHBondContact NZ-OD2 3.46Å; K247-E369 VanDerWaalsContact CB-O 3.3Å; K247-E369 WeakPolarHBondContact CB-O 3.34Å; K247-E369 HydrophobicContact CD-CG 4.38Å; K247-E369 IonicContact NZ-OE1 3.09Å; K247-E369 PolarHBondContact NZ-OE1 3.18Å; K247-S370 WeakPolarHBondContact O-CA 3.4Å; K247-V371 HydrophobicContact CB-CG1 4.1Å; K247-V371 HydrophobicContact CD-CG1 3.8Å; K247-V371 HydrophobicContact CG-CG1 4.23Å; K247-V371 PolarHBondContact N-O 3.34Å; K247-V371 PolarHBondContact O-N 3.27Å |
| 248 | E | 96.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 51 Ų | 51 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | trans | -130.8 | 136.4 | 175.9 | -67.4 | 172.2 | 78.8 | 0 | 0 | 110.4 | L250 G364 K365 M366 L367 | E248-L250 VanDerWaalsContact C-N 3.35Å; E248-G364 PolarHBondContact N-O 3.05Å; E248-K365 HydrophobicContact CB-CD 4.19Å; E248-K365 CarbonylContact O-C 3.54Å; E248-K365 IonicContact OE1-NZ 3.09Å; E248-K365 PolarHBondContact OE1-NZ 2.9Å; E248-K365 IonicContact OE2-NZ 2.9Å; E248-K365 PolarHBondContact OE2-NZ 3.22Å; E248-M366 PolarHBondContact O-N 2.99Å; E248-L367 PolarHBondContact O-N 3.44Å | ||
| 249 | T | 95.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | trans | -81.9 | -15.7 | 174.9 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 250 | L | 93.9 | Very high | 93.5 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 63% | 0.628 | 25% | 0.249 | S | C | * | . | trans | -79.3 | 149 | -176.3 | -63.5 | 176.5 | 0 | 0 | 0 | 111.1 | E248 K365 M366 | E248-L250 VanDerWaalsContact C-N 3.35Å; L250-K365 WeakPolarHBondContact O-CB 3.41Å; L250-M366 PolarHBondContact O-N 3.04Å; L250-M366 VanDerWaalsContact O-N 3.11Å | ||
| 251 | D | 92.1 | Very high | 92.9 | Very high | 67 Ų | 67 | 52 Ų | 52 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -79.4 | -174.5 | 170.2 | 64.6 | 30.9 | 0 | 0 | 0 | 111.7 | K253 Y318 M366 | D251-K253 WeakPolarHBondContact OD1-CB 3.25Å; D251-K253 PolarHBondContact OD1-N 3.35Å; D251-Y318 HydrophobicContact CB-CE2 4.47Å; D251-M366 HydrophobicContact CB-CG 3.91Å; D251-M366 HydrophobicContact CB-SD 3.81Å | ||
| 252 | V | 93.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | trans | -101.5 | 3.6 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | G254 R255 I256 Y259 Y318 Y321 K365 | V252-G254 PolarHBondContact O-N 2.95Å; V252-R255 PolarHBondContact O-N 3.04Å; V252-I256 HydrophobicContact CB-CD1 3.86Å; V252-I256 HydrophobicContact CG1-CD1 3.78Å; V252-Y259 HydrophobicContact CB-CD1 4.41Å; V252-Y259 HydrophobicContact CB-CG 4.41Å; V252-Y259 HydrophobicContact CG1-CD1 3.56Å; V252-Y259 HydrophobicContact CG1-CD2 3.79Å; V252-Y259 HydrophobicContact CG1-CE1 4.31Å; V252-Y259 HydrophobicContact CG1-CE2 4.5Å; V252-Y259 HydrophobicContact CG1-CG 3.24Å; V252-Y259 HydrophobicContact CG2-CD1 3.94Å; V252-Y259 HydrophobicContact CG2-CD2 4.36Å; V252-Y259 HydrophobicContact CG2-CE1 3.86Å; V252-Y259 HydrophobicContact CG2-CE2 4.29Å; V252-Y259 HydrophobicContact CG2-CG 4.19Å; V252-Y318 WeakPolarHBondContact CB-OH 3.28Å; V252-Y318 HydrophobicContact CG2-CE1 4.02Å; V252-Y318 PolarHBondContact N-OH 2.94Å; V252-Y321 HydrophobicContact CB-CD2 4.45Å; V252-Y321 HydrophobicContact CB-CE2 4.1Å; V252-Y321 HydrophobicContact CG1-CE2 4.19Å; V252-Y321 HydrophobicContact CG2-CE2 4.24Å; V252-K365 HydrophobicContact CG2-CB 4.34Å; V252-K365 HydrophobicContact CG2-CG 3.84Å | ||
| 253 | K | 89.3 | Confident | 92.1 | Very high | 129 Ų | 129 | 49.8 Ų | 49.8 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 139.1 | -172.5 | -166.3 | 178.8 | -178.8 | 171.5 | 0 | 111.8 | D251 R255 E328 | D251-K253 WeakPolarHBondContact OD1-CB 3.25Å; D251-K253 PolarHBondContact OD1-N 3.35Å; K253-R255 PolarHBondContact O-N 3.09Å; K253-E328 WeakPolarHBondContact CA-OE1 3.32Å; K253-E328 WeakPolarHBondContact CG-OE1 3.46Å |
| 254 | G | 86.8 | Confident | 92 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | -3.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V252 E328 | V252-G254 PolarHBondContact O-N 2.95Å; G254-E328 WeakPolarHBondContact CA-OE2 3.35Å; G254-E328 VanDerWaalsContact N-CD 3.34Å; G254-E328 PolarHBondContact N-OE1 3.28Å; G254-E328 PolarHBondContact N-OE2 3.32Å |
| 255 | R | 87.5 | Confident | 92 | Very high | 130 Ų | 130 | 49.3 Ų | 49.3 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | trans | -127.3 | 13.5 | 176.5 | -66.2 | -176.2 | 61.1 | -164.2 | -7 | 112.7 | V252 K253 S257 F258 Y259 | V252-R255 PolarHBondContact O-N 3.04Å; K253-R255 PolarHBondContact O-N 3.09Å; R255-S257 VanDerWaalsContact C-N 3.31Å; R255-S257 PolarHBondContact O-N 2.62Å; R255-F258 PolarHBondContact O-N 3.17Å; R255-Y259 WeakPolarHBondContact O-CB 3.33Å; R255-Y259 PolarHBondContact O-N 2.98Å | ||
| 256 | I | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | -172.5 | -62.3 | -72.5 | 0 | 0 | 0 | 111.8 | V252 F258 Y259 D260 Y321 E324 V325 E328 L329 | V252-I256 HydrophobicContact CB-CD1 3.86Å; V252-I256 HydrophobicContact CG1-CD1 3.78Å; I256-F258 PolarHBondContact O-N 3.37Å; I256-Y259 PolarHBondContact O-N 3Å; I256-D260 HydrophobicContact CG2-CB 4.3Å; I256-D260 VanDerWaalsContact O-CB 3.23Å; I256-D260 WeakPolarHBondContact O-CB 3.34Å; I256-D260 PolarHBondContact O-N 2.74Å; I256-Y321 HydrophobicContact CD1-CD2 4.03Å; I256-Y321 HydrophobicContact CD1-CE2 3.61Å; I256-E324 HydrophobicContact CD1-CB 3.93Å; I256-E324 HydrophobicContact CG1-CB 4.24Å; I256-V325 HydrophobicContact CG2-CB 4.23Å; I256-V325 HydrophobicContact CG2-CG2 3.6Å; I256-E328 HydrophobicContact CB-CB 4.1Å; I256-E328 WeakPolarHBondContact CB-OE2 3.5Å; I256-E328 HydrophobicContact CG1-CB 4.36Å; I256-E328 VanDerWaalsContact CG1-CD 3.41Å; I256-E328 HydrophobicContact CG1-CG 4.3Å; I256-E328 VanDerWaalsContact CG1-OE2 3.26Å; I256-E328 WeakPolarHBondContact CG1-OE2 3.41Å; I256-E328 PolarHBondContact N-OE2 2.8Å; I256-L329 HydrophobicContact CG2-CD1 4.1Å; I256-L329 HydrophobicContact CG2-CD2 4.36Å; I256-L329 HydrophobicContact CG2-CG 4Å |
| 257 | S | 86.2 | Confident | 91.7 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 54% | 0.538 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.6 | -35.5 | 179.1 | 58 | 0 | 0 | 0 | 0 | 113.8 | R255 | R255-S257 VanDerWaalsContact C-N 3.31Å; R255-S257 PolarHBondContact O-N 2.62Å |
| 258 | F | 85.1 | Confident | 91.7 | Very high | 77 Ų | 77 | 50 Ų | 50 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -84.6 | -44.8 | 175.2 | 176.3 | -93.9 | 0 | 0 | 0 | 111.6 | P180 R255 I256 E261 Y262 | P180-F258 HydrophobicContact CG-CE2 4.24Å; P180-F258 HydrophobicContact CG-CZ 4.26Å; R255-F258 PolarHBondContact O-N 3.17Å; I256-F258 PolarHBondContact O-N 3.37Å; F258-E261 PolarHBondContact O-N 3.22Å; F258-Y262 HydrophobicContact CE1-CD1 4.27Å; F258-Y262 HydrophobicContact CE1-CG 4.29Å; F258-Y262 HydrophobicContact CZ-CD1 4.35Å; F258-Y262 HydrophobicContact CZ-CD2 4.45Å; F258-Y262 HydrophobicContact CZ-CG 4.27Å |
| 259 | Y | 91.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72 | -32.5 | -171.3 | -162.2 | -87.2 | 0 | 0 | 0 | 112.9 | V252 R255 I256 E261 Y262 G263 V264 D267 Y321 T339 T341 | V252-Y259 HydrophobicContact CB-CD1 4.41Å; V252-Y259 HydrophobicContact CB-CG 4.41Å; V252-Y259 HydrophobicContact CG1-CD1 3.56Å; V252-Y259 HydrophobicContact CG1-CD2 3.79Å; V252-Y259 HydrophobicContact CG1-CE1 4.31Å; V252-Y259 HydrophobicContact CG1-CE2 4.5Å; V252-Y259 HydrophobicContact CG1-CG 3.24Å; V252-Y259 HydrophobicContact CG2-CD1 3.94Å; V252-Y259 HydrophobicContact CG2-CD2 4.36Å; V252-Y259 HydrophobicContact CG2-CE1 3.86Å; V252-Y259 HydrophobicContact CG2-CE2 4.29Å; V252-Y259 HydrophobicContact CG2-CG 4.19Å; R255-Y259 WeakPolarHBondContact O-CB 3.33Å; R255-Y259 PolarHBondContact O-N 2.98Å; I256-Y259 PolarHBondContact O-N 3Å; Y259-E261 PolarHBondContact O-N 2.91Å; Y259-Y262 PolarHBondContact O-N 2.67Å; Y259-G263 PolarHBondContact O-N 3.07Å; Y259-V264 WeakPolarHBondContact OH-CA 3.36Å; Y259-V264 WeakPolarHBondContact OH-CB 3.48Å; Y259-V264 PolarHBondContact OH-N 3.24Å; Y259-D267 HydrophobicContact CE2-CB 4.09Å; Y259-Y321 HydrophobicContact CD1-CE2 4.22Å; Y259-T339 HydrophobicContact CD1-CG2 4.19Å; Y259-T339 HydrophobicContact CE1-CG2 4.35Å; Y259-T341 HydrophobicContact CE1-CG2 4.23Å |
| 260 | D | 90.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -17.4 | -178.2 | -155.7 | 45.6 | 0 | 0 | 0 | 113.5 | I256 Y321 L329 S337 T339 | I256-D260 HydrophobicContact CG2-CB 4.3Å; I256-D260 VanDerWaalsContact O-CB 3.23Å; I256-D260 WeakPolarHBondContact O-CB 3.34Å; I256-D260 PolarHBondContact O-N 2.74Å; D260-Y321 VanDerWaalsContact CA-OH 3.3Å; D260-Y321 WeakPolarHBondContact CA-OH 3.44Å; D260-Y321 WeakPolarHBondContact CB-OH 3.49Å; D260-Y321 WeakPolarHBondContact OD1-CE1 3.41Å; D260-Y321 PolarHBondContact OD1-OH 3.35Å; D260-L329 HydrophobicContact CB-CD1 4.36Å; D260-S337 WeakPolarHBondContact OD1-CB 3.27Å; D260-S337 PolarHBondContact OD1-OG 2.93Å; D260-T339 PolarHBondContact O-OG1 2.96Å; D260-T339 VanDerWaalsContact OD1-CB 3.29Å; D260-T339 WeakPolarHBondContact OD1-CB 3.42Å; D260-T339 PolarHBondContact OD1-OG1 2.96Å |
| 261 | E | 84.7 | Confident | 91.9 | Very high | 163 Ų | 163 | 40.4 Ų | 40.4 | 76% | 0.762 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -92.1 | -21.5 | 171.2 | -59.7 | -171.8 | 169.4 | 0 | 0 | 112.2 | F258 Y259 | F258-E261 PolarHBondContact O-N 3.22Å; Y259-E261 PolarHBondContact O-N 2.91Å |
| 262 | Y | 85.9 | Confident | 92.1 | Very high | 18 Ų | 18 | 37.4 Ų | 37.4 | 7% | 0.071 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -102.2 | -53.8 | -168.4 | -140.4 | -116.2 | 0 | 0 | 0 | 112.9 | P180 G182 H183 F258 Y259 R266 D267 | P180-Y262 HydrophobicContact CB-CE1 4.39Å; P180-Y262 HydrophobicContact CB-CE2 3.87Å; P180-Y262 WeakPolarHBondContact CB-OH 3.43Å; G182-Y262 PolarHBondContact O-OH 3.31Å; H183-Y262 HydrophobicContact CB-CE2 4.18Å; F258-Y262 HydrophobicContact CE1-CD1 4.27Å; F258-Y262 HydrophobicContact CE1-CG 4.29Å; F258-Y262 HydrophobicContact CZ-CD1 4.35Å; F258-Y262 HydrophobicContact CZ-CD2 4.45Å; F258-Y262 HydrophobicContact CZ-CG 4.27Å; Y259-Y262 PolarHBondContact O-N 2.67Å; Y262-R266 HydrophobicContact CD1-CB 3.34Å; Y262-R266 HydrophobicContact CD2-CB 4.15Å; Y262-R266 HydrophobicContact CE1-CB 3.25Å; Y262-R266 VanDerWaalsContact CE1-O 3.3Å; Y262-R266 WeakPolarHBondContact CE1-O 3.45Å; Y262-R266 HydrophobicContact CE2-CB 4.06Å; Y262-R266 HydrophobicContact CG-CB 3.79Å; Y262-R266 WeakPolarHBondContact O-CB 3.49Å; Y262-R266 WeakPolarHBondContact O-CD 3.35Å; Y262-R266 WeakPolarHBondContact O-CG 3.48Å; Y262-R266 PolarHBondContact O-NH1 3.41Å; Y262-D267 HydrophobicContact CD1-CB 4.22Å |
| 263 | G | 94 | Very high | 92.4 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | 68.6 | 167.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y259 I265 R266 D267 | Y259-G263 PolarHBondContact O-N 3.07Å; G263-I265 VanDerWaalsContact C-N 3.26Å; G263-I265 PolarHBondContact O-N 2.8Å; G263-R266 PolarHBondContact O-N 2.9Å; G263-D267 WeakPolarHBondContact O-CB 3.31Å; G263-D267 PolarHBondContact O-N 2.67Å |
| 264 | V | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -32.5 | -174.6 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | Y259 R266 D267 V268 L269 S340 A343 | Y259-V264 WeakPolarHBondContact OH-CA 3.36Å; Y259-V264 WeakPolarHBondContact OH-CB 3.48Å; Y259-V264 PolarHBondContact OH-N 3.24Å; V264-R266 PolarHBondContact O-N 3Å; V264-D267 PolarHBondContact O-N 2.93Å; V264-V268 PolarHBondContact O-N 2.79Å; V264-L269 HydrophobicContact CG2-CD1 4.31Å; V264-S340 WeakPolarHBondContact CG1-O 3.49Å; V264-S340 PolarHBondContact N-O 3.4Å; V264-A343 HydrophobicContact CG1-CB 3.61Å |
| 265 | I | 97.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -62.7 | -47.1 | -178.3 | -61.5 | 177 | 0 | 0 | 0 | 110.2 | G263 L269 Q270 V315 A343 W487 L491 L494 | G263-I265 VanDerWaalsContact C-N 3.26Å; G263-I265 PolarHBondContact O-N 2.8Å; I265-L269 HydrophobicContact CG1-CD2 4.46Å; I265-L269 HydrophobicContact CG2-CB 4.44Å; I265-L269 WeakPolarHBondContact O-CB 3.49Å; I265-L269 PolarHBondContact O-N 2.78Å; I265-L269 VanDerWaalsContact O-N 3.1Å; I265-Q270 WeakPolarHBondContact O-CB 3.39Å; I265-Q270 PolarHBondContact O-N 2.91Å; I265-V315 HydrophobicContact CD1-CG1 4.41Å; I265-A343 HydrophobicContact CD1-CB 4.4Å; I265-A343 HydrophobicContact CG1-CB 3.84Å; I265-W487 HydrophobicContact CG2-CE3 3.69Å; I265-W487 HydrophobicContact CG2-CZ3 3.92Å; I265-L491 HydrophobicContact CB-CD2 3.95Å; I265-L491 HydrophobicContact CD1-CD2 4.25Å; I265-L491 HydrophobicContact CG2-CD2 3.74Å; I265-L491 HydrophobicContact CG2-CG 4.35Å; I265-L494 HydrophobicContact CD1-CD1 3.54Å |
| 266 | R | 95.9 | Very high | 93.8 | Very high | 50 Ų | 50 | 22.4 Ų | 22.4 | 19% | 0.189 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -77 | -35.5 | 178.3 | -58.2 | -176.1 | -178.6 | 86.9 | -3.8 | 111.8 | H183 Y262 G263 V264 V268 N271 W484 L491 | H183-R266 PolarHBondContact O-NE 3.26Å; Y262-R266 HydrophobicContact CD1-CB 3.34Å; Y262-R266 HydrophobicContact CD2-CB 4.15Å; Y262-R266 HydrophobicContact CE1-CB 3.25Å; Y262-R266 VanDerWaalsContact CE1-O 3.3Å; Y262-R266 WeakPolarHBondContact CE1-O 3.45Å; Y262-R266 HydrophobicContact CE2-CB 4.06Å; Y262-R266 HydrophobicContact CG-CB 3.79Å; Y262-R266 WeakPolarHBondContact O-CB 3.49Å; Y262-R266 WeakPolarHBondContact O-CD 3.35Å; Y262-R266 WeakPolarHBondContact O-CG 3.48Å; Y262-R266 PolarHBondContact O-NH1 3.41Å; G263-R266 PolarHBondContact O-N 2.9Å; V264-R266 PolarHBondContact O-N 3Å; R266-V268 VanDerWaalsContact C-N 3.34Å; R266-V268 PolarHBondContact O-N 3.02Å; R266-N271 PolarHBondContact O-ND2 3.28Å; R266-W484 HydrophobicContact CB-CH2 4.48Å; R266-W484 HydrophobicContact CG-CH2 4.09Å; R266-W484 HydrophobicContact CG-CZ3 4.43Å; R266-L491 HydrophobicContact CG-CD1 4.04Å; R266-L491 HydrophobicContact CG-CD2 4.15Å |
| 267 | D | 94.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 5% | 0.053 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -65.6 | -37 | -177.2 | -170.5 | 43.6 | 0 | 0 | 0 | 112.4 | K179 Y259 Y262 G263 V264 N271 K365 | K179-D267 PolarHBondContact NZ-O 3.23Å; K179-D267 IonicContact NZ-OD1 3.79Å; Y259-D267 HydrophobicContact CE2-CB 4.09Å; Y262-D267 HydrophobicContact CD1-CB 4.22Å; G263-D267 WeakPolarHBondContact O-CB 3.31Å; G263-D267 PolarHBondContact O-N 2.67Å; V264-D267 PolarHBondContact O-N 2.93Å; D267-N271 PolarHBondContact O-ND2 3.24Å; D267-N271 PolarHBondContact O-OD1 2.67Å; D267-N271 VanDerWaalsContact O-OD1 3.09Å; D267-K365 IonicContact OD2-NZ 3.11Å |
| 268 | V | 96.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.024 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -132.7 | -47.4 | -169.7 | 176.6 | 0 | 0 | 0 | 0 | 114.5 | L246 V264 R266 N271 H272 L273 S363 | L246-V268 HydrophobicContact CB-CG1 4.28Å; L246-V268 HydrophobicContact CD2-CG1 3.57Å; L246-V268 HydrophobicContact CD2-CG2 4.18Å; V264-V268 PolarHBondContact O-N 2.79Å; R266-V268 VanDerWaalsContact C-N 3.34Å; R266-V268 PolarHBondContact O-N 3.02Å; V268-N271 WeakPolarHBondContact CA-OD1 3.47Å; V268-N271 PolarHBondContact O-OD1 2.9Å; V268-N271 VanDerWaalsContact O-OD1 3.09Å; V268-H272 WeakPolarHBondContact O-CB 3.25Å; V268-H272 PolarHBondContact O-N 2.85Å; V268-H272 VanDerWaalsContact O-N 3.1Å; V268-L273 HydrophobicContact CG1-CD1 4.11Å; V268-L273 HydrophobicContact CG1-CD2 4.02Å; V268-L273 HydrophobicContact CG1-CG 3.82Å; V268-L273 PolarHBondContact O-N 3.32Å; V268-S363 WeakPolarHBondContact CG1-OG 3.43Å |
| 269 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -71.4 | -47.7 | -170.1 | -80.8 | 65.9 | 0 | 0 | 0 | 111.7 | V264 I265 N271 L273 T274 A343 V345 S363 W487 | V264-L269 HydrophobicContact CG2-CD1 4.31Å; I265-L269 HydrophobicContact CG1-CD2 4.46Å; I265-L269 HydrophobicContact CG2-CB 4.44Å; I265-L269 WeakPolarHBondContact O-CB 3.49Å; I265-L269 PolarHBondContact O-N 2.78Å; I265-L269 VanDerWaalsContact O-N 3.1Å; L269-N271 PolarHBondContact O-N 2.81Å; L269-L273 HydrophobicContact CD1-CD1 4.26Å; L269-L273 HydrophobicContact CG-CD1 4.16Å; L269-T274 WeakPolarHBondContact O-CB 3.49Å; L269-T274 PolarHBondContact O-N 3.17Å; L269-T274 VanDerWaalsContact O-N 3.17Å; L269-T274 PolarHBondContact O-OG1 2.86Å; L269-A343 HydrophobicContact CD2-CB 3.99Å; L269-V345 HydrophobicContact CD2-CB 4.07Å; L269-V345 HydrophobicContact CD2-CG2 3.48Å; L269-V345 VanDerWaalsContact CD2-CG2 3.48Å; L269-S363 VanDerWaalsContact CD1-CB 3.46Å; L269-W487 HydrophobicContact CB-CH2 3.67Å; L269-W487 HydrophobicContact CB-CZ2 4.15Å; L269-W487 HydrophobicContact CB-CZ3 4Å; L269-W487 HydrophobicContact CD2-CH2 4.03Å; L269-W487 HydrophobicContact CD2-CZ3 4.12Å; L269-W487 HydrophobicContact CG-CH2 4.33Å |
| 270 | Q | 97.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 5% | 0.047 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -63.2 | -29.4 | -175.7 | -176.8 | -82 | -33.2 | 0 | 0 | 113.1 | I265 T274 S483 W484 W487 | I265-Q270 WeakPolarHBondContact O-CB 3.39Å; I265-Q270 PolarHBondContact O-N 2.91Å; Q270-T274 WeakPolarHBondContact O-CB 3.41Å; Q270-T274 PolarHBondContact O-OG1 2.77Å; Q270-S483 PolarHBondContact NE2-OG 2.91Å; Q270-S483 PolarHBondContact O-OG 2.77Å; Q270-W484 HydrophobicContact CG-CD2 4.18Å; Q270-W484 HydrophobicContact CG-CE3 3.93Å; Q270-W484 HydrophobicContact CG-CH2 3.87Å; Q270-W484 HydrophobicContact CG-CZ2 4.12Å; Q270-W484 HydrophobicContact CG-CZ3 3.78Å; Q270-W487 HydrophobicContact CB-CB 4.47Å; Q270-W487 HydrophobicContact CB-CD2 4.28Å; Q270-W487 HydrophobicContact CB-CG 4.01Å; Q270-W487 HydrophobicContact CG-CB 3.97Å; Q270-W487 HydrophobicContact CG-CG 3.79Å |
| 271 | N | 95 | Very high | 96 | Very high | 18 Ų | 18 | 14.5 Ų | 14.5 | 10% | 0.096 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -104.9 | -85.4 | -179.8 | 47.8 | 44.8 | 0 | 0 | 0 | 111.1 | D208 R266 D267 V268 L269 L273 T274 E275 | D208-N271 VanDerWaalsContact OD2-C 3.26Å; D208-N271 WeakPolarHBondContact OD2-CB 3.46Å; R266-N271 PolarHBondContact O-ND2 3.28Å; D267-N271 PolarHBondContact O-ND2 3.24Å; D267-N271 PolarHBondContact O-OD1 2.67Å; D267-N271 VanDerWaalsContact O-OD1 3.09Å; V268-N271 WeakPolarHBondContact CA-OD1 3.47Å; V268-N271 PolarHBondContact O-OD1 2.9Å; V268-N271 VanDerWaalsContact O-OD1 3.09Å; L269-N271 PolarHBondContact O-N 2.81Å; N271-L273 PolarHBondContact O-N 3.28Å; N271-T274 PolarHBondContact O-N 3.1Å; N271-T274 VanDerWaalsContact O-N 3.16Å; N271-E275 PolarHBondContact O-N 2.77Å |
| 272 | H | 96.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 2% | 0.019 | 3% | 0.031 | C | C | . | . | I | π-helix | trans | -54.7 | -53 | -167.3 | -57 | -27.3 | 0 | 0 | 0 | 112.9 | K179 D208 H209 Y210 V268 E275 V276 | K179-H272 PolarHBondContact NZ-CE1 3.17Å; K179-H272 PolarHBondContact NZ-NE2 3.19Å; D208-H272 IonicContact OD1-CE1 2.73Å; D208-H272 PolarHBondContact OD1-CE1 3.16Å; D208-H272 IonicContact OD1-CG 2.63Å; D208-H272 IonicContact OD1-ND1 3.06Å; D208-H272 PolarHBondContact OD1-ND1 2.8Å; D208-H272 WeakPolarHBondContact OD2-CA 3.32Å; D208-H272 IonicContact OD2-CE1 3.7Å; D208-H272 IonicContact OD2-CG 3.9Å; D208-H272 PolarHBondContact OD2-N 3.03Å; D208-H272 IonicContact OD2-ND1 3.65Å; D208-H272 PolarHBondContact OD2-ND1 3.37Å; H209-H272 AromaticContact CE1-CE1 3.54Å; H209-H272 AromaticContact CE1-NE2 3.33Å; H209-H272 PolarHBondContact CE1-NE2 3.16Å; H209-H272 VanDerWaalsContact CE1-NE2 3.33Å; H209-H272 AromaticContact ND1-CE1 3.56Å; H209-H272 AromaticContact ND1-NE2 3.81Å; Y210-H272 HydrophobicContact CD1-CB 4.16Å; Y210-H272 HydrophobicContact CD2-CB 3.69Å; Y210-H272 AromaticContact CD2-CD2 3.47Å; Y210-H272 VanDerWaalsContact CD2-CD2 3.47Å; Y210-H272 WeakPolarHBondContact CD2-CD2 3.37Å; Y210-H272 AromaticContact CD2-CE1 3.76Å; Y210-H272 AromaticContact CD2-CG 3.26Å; Y210-H272 AromaticContact CD2-ND1 3.47Å; Y210-H272 WeakPolarHBondContact CD2-ND1 3.33Å; Y210-H272 AromaticContact CD2-NE2 3.77Å; Y210-H272 HydrophobicContact CE2-CB 4.12Å; Y210-H272 AromaticContact CE2-CD2 3.4Å; Y210-H272 VanDerWaalsContact CE2-CD2 3.4Å; Y210-H272 WeakPolarHBondContact CE2-CD2 3.31Å; Y210-H272 AromaticContact CE2-CG 3.66Å; Y210-H272 AromaticContact CE2-NE2 3.83Å; Y210-H272 HydrophobicContact CG-CB 3.72Å; Y210-H272 AromaticContact CG-CG 3.81Å; V268-H272 WeakPolarHBondContact O-CB 3.25Å; V268-H272 PolarHBondContact O-N 2.85Å; V268-H272 VanDerWaalsContact O-N 3.1Å; H272-E275 PolarHBondContact O-N 2.87Å; H272-V276 WeakPolarHBondContact O-CG2 3.41Å; H272-V276 PolarHBondContact O-N 3.01Å; H272-V276 VanDerWaalsContact O-N 3.16Å |
| 273 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -75 | -31.3 | -175.1 | -48.9 | -169.6 | 0 | 0 | 0 | 111.6 | I244 L246 V268 L269 N271 M277 L361 V362 | I244-L273 HydrophobicContact CG2-CB 3.8Å; I244-L273 HydrophobicContact CG2-CD1 4.48Å; I244-L273 HydrophobicContact CG2-CD2 3.86Å; I244-L273 HydrophobicContact CG2-CG 4.21Å; L246-L273 HydrophobicContact CB-CD2 3.97Å; V268-L273 HydrophobicContact CG1-CD1 4.11Å; V268-L273 HydrophobicContact CG1-CD2 4.02Å; V268-L273 HydrophobicContact CG1-CG 3.82Å; V268-L273 PolarHBondContact O-N 3.32Å; L269-L273 HydrophobicContact CD1-CD1 4.26Å; L269-L273 HydrophobicContact CG-CD1 4.16Å; N271-L273 PolarHBondContact O-N 3.28Å; L273-M277 VanDerWaalsContact O-CB 3.29Å; L273-M277 WeakPolarHBondContact O-CB 3.27Å; L273-M277 PolarHBondContact O-N 3.45Å; L273-L361 HydrophobicContact CB-CD2 3.53Å; L273-V362 WeakPolarHBondContact CD1-O 3.38Å |
| 274 | T | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 174 | -63.7 | 0 | 0 | 0 | 0 | 111 | L269 Q270 N271 V276 M277 T278 L302 W487 | L269-T274 WeakPolarHBondContact O-CB 3.49Å; L269-T274 PolarHBondContact O-N 3.17Å; L269-T274 VanDerWaalsContact O-N 3.17Å; L269-T274 PolarHBondContact O-OG1 2.86Å; Q270-T274 WeakPolarHBondContact O-CB 3.41Å; Q270-T274 PolarHBondContact O-OG1 2.77Å; N271-T274 PolarHBondContact O-N 3.1Å; N271-T274 VanDerWaalsContact O-N 3.16Å; T274-V276 PolarHBondContact O-N 2.87Å; T274-M277 HydrophobicContact CG2-CE 4.2Å; T274-M277 WeakPolarHBondContact O-CB 3.29Å; T274-M277 PolarHBondContact O-N 2.86Å; T274-T278 WeakPolarHBondContact O-CG2 3.41Å; T274-T278 PolarHBondContact O-N 3.3Å; T274-L302 HydrophobicContact CG2-CD2 3.63Å; T274-W487 VanDerWaalsContact OG1-CZ2 3.25Å; T274-W487 WeakPolarHBondContact OG1-CZ2 3.29Å; T274-W487 PolarHBondContact OG1-NE1 2.82Å |
| 275 | E | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 5% | 0.047 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.8 | -78.4 | -62.2 | 147.1 | 0 | 0 | 111.6 | L211 N271 H272 M277 T278 L279 K298 | L211-E275 HydrophobicContact CD1-CG 4.15Å; L211-E275 HydrophobicContact CD2-CB 3.97Å; L211-E275 HydrophobicContact CD2-CG 4.46Å; L211-E275 HydrophobicContact CG-CB 4.28Å; L211-E275 HydrophobicContact CG-CG 4.38Å; N271-E275 PolarHBondContact O-N 2.77Å; H272-E275 PolarHBondContact O-N 2.87Å; E275-M277 VanDerWaalsContact C-N 3.3Å; E275-M277 PolarHBondContact O-N 3.46Å; E275-T278 PolarHBondContact O-N 2.92Å; E275-T278 PolarHBondContact O-OG1 3.04Å; E275-L279 WeakPolarHBondContact O-CG 3.38Å; E275-L279 PolarHBondContact O-N 3.03Å; E275-L279 VanDerWaalsContact O-N 3.16Å; E275-K298 IonicContact OE2-NZ 2.63Å; E275-K298 PolarHBondContact OE2-NZ 3.37Å |
| 276 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | V216 I219 I244 H272 T274 T278 L279 L280 A374 F402 | V216-V276 HydrophobicContact CG1-CG2 4Å; V216-V276 HydrophobicContact CG2-CG2 4.15Å; I219-V276 HydrophobicContact CD1-CG1 4.13Å; I244-V276 HydrophobicContact CD1-CG1 4.3Å; I244-V276 HydrophobicContact CG1-CG1 4.27Å; I244-V276 HydrophobicContact CG2-CB 4.18Å; I244-V276 HydrophobicContact CG2-CG1 3.91Å; H272-V276 WeakPolarHBondContact O-CG2 3.41Å; H272-V276 PolarHBondContact O-N 3.01Å; H272-V276 VanDerWaalsContact O-N 3.16Å; T274-V276 PolarHBondContact O-N 2.87Å; V276-T278 VanDerWaalsContact C-N 3.35Å; V276-T278 PolarHBondContact O-N 3.37Å; V276-L279 PolarHBondContact O-N 2.99Å; V276-L280 HydrophobicContact CG1-CD1 4.11Å; V276-L280 WeakPolarHBondContact O-CG 3.47Å; V276-L280 PolarHBondContact O-N 2.87Å; V276-L280 VanDerWaalsContact O-N 3.14Å; V276-A374 HydrophobicContact CG1-CB 3.66Å; V276-F402 HydrophobicContact CG1-CZ 3.99Å; V276-F402 HydrophobicContact CG2-CZ 3.97Å |
| 277 | M | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 178 | -177.2 | -111.1 | -66.5 | 0 | 0 | 111.6 | I244 L273 T274 E275 L279 L280 T281 V301 M305 I349 V359 L361 | I244-M277 VanDerWaalsContact CD1-CA 3.42Å; I244-M277 HydrophobicContact CD1-CB 3.39Å; I244-M277 HydrophobicContact CD1-CG 3.97Å; L273-M277 VanDerWaalsContact O-CB 3.29Å; L273-M277 WeakPolarHBondContact O-CB 3.27Å; L273-M277 PolarHBondContact O-N 3.45Å; T274-M277 HydrophobicContact CG2-CE 4.2Å; T274-M277 WeakPolarHBondContact O-CB 3.29Å; T274-M277 PolarHBondContact O-N 2.86Å; E275-M277 VanDerWaalsContact C-N 3.3Å; E275-M277 PolarHBondContact O-N 3.46Å; M277-L279 VanDerWaalsContact C-N 3.31Å; M277-L279 PolarHBondContact O-N 2.75Å; M277-L280 PolarHBondContact O-N 3.29Å; M277-T281 WeakPolarHBondContact O-CB 3.3Å; M277-T281 PolarHBondContact O-N 3.42Å; M277-T281 VanDerWaalsContact O-N 3.07Å; M277-T281 PolarHBondContact O-OG1 2.73Å; M277-V301 HydrophobicContact SD-CG1 4.4Å; M277-M305 HydrophobicContact CE-CE 3.37Å; M277-M305 HydrophobicContact CE-SD 3.49Å; M277-M305 WeakPolarHBondContact CE-SD 3.29Å; M277-M305 HydrophobicContact SD-CE 4.35Å; M277-M305 HydrophobicContact SD-SD 4.12Å; M277-I349 HydrophobicContact SD-CD1 4.44Å; M277-V359 HydrophobicContact CG-CG1 3.78Å; M277-L361 HydrophobicContact CB-CD2 4.3Å; M277-L361 HydrophobicContact CE-CD1 4.24Å |
| 278 | T | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.3 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | T274 E275 V276 L280 T281 M282 K298 L302 | T274-T278 WeakPolarHBondContact O-CG2 3.41Å; T274-T278 PolarHBondContact O-N 3.3Å; E275-T278 PolarHBondContact O-N 2.92Å; E275-T278 PolarHBondContact O-OG1 3.04Å; V276-T278 VanDerWaalsContact C-N 3.35Å; V276-T278 PolarHBondContact O-N 3.37Å; T278-L280 VanDerWaalsContact C-N 3.31Å; T278-L280 PolarHBondContact O-N 3.38Å; T278-T281 PolarHBondContact O-N 3.33Å; T278-M282 WeakPolarHBondContact O-CB 3.43Å; T278-M282 WeakPolarHBondContact O-CG 3.42Å; T278-M282 PolarHBondContact O-N 2.88Å; T278-K298 HydrophobicContact CG2-CB 4.49Å; T278-L302 HydrophobicContact CG2-CD1 4.42Å; T278-L302 HydrophobicContact CG2-CD2 3.94Å; T278-L302 HydrophobicContact CG2-CG 3.96Å |
| 279 | L | 97.8 | Very high | 95 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -32.8 | 178.9 | -62 | 173.7 | 0 | 0 | 0 | 112.9 | L211 V216 I219 L220 R223 E275 V276 M277 | L211-L279 HydrophobicContact CD2-CD1 3.91Å; V216-L279 HydrophobicContact CG1-CD1 3.67Å; I219-L279 HydrophobicContact CB-CB 4.22Å; I219-L279 HydrophobicContact CD1-CB 4.29Å; I219-L279 HydrophobicContact CD1-CD1 4.29Å; I219-L279 HydrophobicContact CG2-CB 3.83Å; L220-L279 HydrophobicContact CD1-CD2 3.58Å; L220-L279 HydrophobicContact CD2-CB 4.37Å; L220-L279 HydrophobicContact CD2-CD2 4.25Å; L220-L279 VanDerWaalsContact CD2-O 3.27Å; L220-L279 WeakPolarHBondContact CD2-O 3.44Å; L220-L279 HydrophobicContact CG-CB 4.49Å; L220-L279 HydrophobicContact CG-CD2 3.78Å; R223-L279 PolarHBondContact NH1-O 3.29Å; E275-L279 WeakPolarHBondContact O-CG 3.38Å; E275-L279 PolarHBondContact O-N 3.03Å; E275-L279 VanDerWaalsContact O-N 3.16Å; V276-L279 PolarHBondContact O-N 2.99Å; M277-L279 VanDerWaalsContact C-N 3.31Å; M277-L279 PolarHBondContact O-N 2.75Å |
| 280 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.5 | -34.4 | 177.9 | -67.7 | 168.3 | 0 | 0 | 0 | 112.9 | I219 R223 W234 I242 I244 V276 M277 T278 A374 V376 F400 | I219-L280 HydrophobicContact CD1-CD2 4.49Å; I219-L280 HydrophobicContact CG2-CD2 3.9Å; I219-L280 HydrophobicContact CG2-CG 4.41Å; R223-L280 VanDerWaalsContact CZ-O 3.29Å; R223-L280 PolarHBondContact NH1-O 2.88Å; W234-L280 HydrophobicContact CZ2-CD2 4.4Å; W234-L280 WeakPolarHBondContact CZ2-O 3.47Å; W234-L280 PolarHBondContact NE1-O 2.9Å; I242-L280 HydrophobicContact CG2-CD1 3.96Å; I244-L280 HydrophobicContact CD1-CD1 4.01Å; I244-L280 HydrophobicContact CG1-CD1 4Å; V276-L280 HydrophobicContact CG1-CD1 4.11Å; V276-L280 WeakPolarHBondContact O-CG 3.47Å; V276-L280 PolarHBondContact O-N 2.87Å; V276-L280 VanDerWaalsContact O-N 3.14Å; M277-L280 PolarHBondContact O-N 3.29Å; T278-L280 VanDerWaalsContact C-N 3.31Å; T278-L280 PolarHBondContact O-N 3.38Å; L280-A374 HydrophobicContact CD1-CB 3.81Å; L280-V376 HydrophobicContact CD2-CG2 4.28Å; L280-F400 HydrophobicContact CD2-CD2 3.91Å; L280-F400 HydrophobicContact CD2-CE2 3.7Å |
| 281 | T | 97.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -108.8 | -19 | -165.7 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | I242 M277 T278 V301 I349 Y354 | I242-T281 HydrophobicContact CD1-CG2 3.73Å; M277-T281 WeakPolarHBondContact O-CB 3.3Å; M277-T281 PolarHBondContact O-N 3.42Å; M277-T281 VanDerWaalsContact O-N 3.07Å; M277-T281 PolarHBondContact O-OG1 2.73Å; T278-T281 PolarHBondContact O-N 3.33Å; T281-V301 WeakPolarHBondContact OG1-CG1 3.27Å; T281-I349 HydrophobicContact CG2-CD1 3.62Å; T281-Y354 HydrophobicContact CG2-CE1 4.41Å; T281-Y354 WeakPolarHBondContact O-CE2 3.46Å; T281-Y354 PolarHBondContact O-OH 2.66Å |
| 282 | M | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -66.5 | 154.2 | 179 | 75.2 | 173.8 | -158.7 | 0 | 0 | 112.5 | L220 R223 T278 L284 V294 N297 K298 V301 | L220-M282 HydrophobicContact CD1-CE 3.35Å; L220-M282 HydrophobicContact CD2-CE 3.38Å; L220-M282 HydrophobicContact CD2-CG 4.38Å; L220-M282 HydrophobicContact CG-CE 3.96Å; R223-M282 PolarHBondContact NH1-O 3.11Å; R223-M282 PolarHBondContact NH2-O 3.33Å; T278-M282 WeakPolarHBondContact O-CB 3.43Å; T278-M282 WeakPolarHBondContact O-CG 3.42Å; T278-M282 PolarHBondContact O-N 2.88Å; M282-L284 PolarHBondContact O-N 2.56Å; M282-V294 HydrophobicContact CE-CG1 4.12Å; M282-V294 HydrophobicContact CE-CG2 4.5Å; M282-N297 HydrophobicContact CB-CB 4.18Å; M282-N297 HydrophobicContact CG-CB 4.37Å; M282-N297 HydrophobicContact SD-CB 3.85Å; M282-K298 HydrophobicContact SD-CG 3.71Å; M282-V301 HydrophobicContact CB-CG2 3.63Å |
| 283 | K | 94.8 | Very high | 94.3 | Very high | 144 Ų | 144 | 32 Ų | 32 | 63% | 0.626 | 20% | 0.196 | S | C | * | . | P | Polyproline II helix | trans | -57.1 | 135.9 | 168.7 | -173.1 | 175.7 | 179.2 | 179.6 | 0 | 110 | N297 | K283-N297 PolarHBondContact O-ND2 3.35Š|
| 284 | L | 93.9 | Very high | 94.2 | Very high | 33 Ų | 33 | 32 Ų | 32 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -65 | 128.9 | 176.9 | -74.5 | -179.9 | 0 | 0 | 0 | 110.4 | R223 M224 M282 | R223-L284 HydrophobicContact CB-CD1 4.25Å; R223-L284 HydrophobicContact CB-CD2 3.69Å; M224-L284 HydrophobicContact CG-CD1 4.48Å; M224-L284 HydrophobicContact CG-CD2 4.11Å; M224-L284 HydrophobicContact SD-CB 3.93Å; M224-L284 HydrophobicContact SD-CD1 3.93Å; M224-L284 HydrophobicContact SD-CD2 4.26Å; M224-L284 HydrophobicContact SD-CG 4.26Å; M282-L284 PolarHBondContact O-N 2.56Å |
| 285 | P | 92.1 | Very high | 94 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 152.2 | 175.2 | 31.5 | -36.2 | 0 | 0 | 0 | 110 | N287 V288 E293 V294 | P285-N287 PolarHBondContact O-N 2.77Å; P285-V288 HydrophobicContact CG-CB 4.48Å; P285-V288 HydrophobicContact CG-CG1 3.87Å; P285-E293 VanDerWaalsContact CA-CD 3.47Å; P285-E293 VanDerWaalsContact CA-OE1 3.29Å; P285-E293 WeakPolarHBondContact CA-OE1 3.41Å; P285-E293 HydrophobicContact CB-CB 4.37Å; P285-E293 VanDerWaalsContact CB-CD 3.42Å; P285-E293 HydrophobicContact CB-CG 3.73Å; P285-E293 WeakPolarHBondContact CB-OE2 3.4Å; P285-V294 HydrophobicContact CB-CG2 4.4Å; P285-V294 HydrophobicContact CG-CG2 4.11Å |
| 286 | A | 89.8 | Confident | 93.9 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 70% | 0.702 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -61.1 | -37.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E293 | A286-E293 VanDerWaalsContact N-CD 3.32Å; A286-E293 PolarHBondContact N-OE1 3.17Å; A286-E293 PolarHBondContact N-OE2 2.82Å; A286-E293 VanDerWaalsContact N-OE2 3.13Å |
| 287 | N | 86.4 | Confident | 93.9 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | trans | -132.7 | 117.6 | 174 | -176 | -4.1 | 0 | 0 | 0 | 110.8 | P285 S289 N290 E293 | P285-N287 PolarHBondContact O-N 2.77Å; N287-S289 PolarHBondContact O-N 2.86Å; N287-S289 WeakPolarHBondContact OD1-CB 3.29Å; N287-S289 PolarHBondContact OD1-N 2.83Å; N287-N290 HydrophobicContact CB-CB 4.34Å; N287-N290 WeakPolarHBondContact O-CB 3.48Å; N287-N290 PolarHBondContact O-N 2.92Å; N287-E293 PolarHBondContact N-OE2 3.39Å | ||
| 288 | V | 86.1 | Confident | 93.8 | Very high | 41 Ų | 41 | 39 Ų | 39 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.7 | 178 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | L220 M224 P285 N290 N472 | L220-V288 HydrophobicContact CB-CG1 4.44Å; M224-V288 HydrophobicContact CB-CG1 4.42Å; M224-V288 HydrophobicContact CG-CG1 3.6Å; P285-V288 HydrophobicContact CG-CB 4.48Å; P285-V288 HydrophobicContact CG-CG1 3.87Å; V288-N290 VanDerWaalsContact C-N 3.32Å; V288-N472 PolarHBondContact O-ND2 3.27Å |
| 289 | S | 86.7 | Confident | 93.7 | Very high | 89 Ų | 89 | 42.7 Ų | 42.7 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.8 | 175.8 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | N287 S291 | N287-S289 PolarHBondContact O-N 2.86Å; N287-S289 WeakPolarHBondContact OD1-CB 3.29Å; N287-S289 PolarHBondContact OD1-N 2.83Å; S289-S291 PolarHBondContact O-N 2.88Å |
| 290 | N | 91.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | trans | -82.1 | 98.7 | 177.3 | -174.5 | -21.6 | 0 | 0 | 0 | 111 | N287 V288 G292 E293 V294 | N287-N290 HydrophobicContact CB-CB 4.34Å; N287-N290 WeakPolarHBondContact O-CB 3.48Å; N287-N290 PolarHBondContact O-N 2.92Å; V288-N290 VanDerWaalsContact C-N 3.32Å; N290-G292 VanDerWaalsContact C-N 3.31Å; N290-G292 PolarHBondContact O-N 2.81Å; N290-G292 PolarHBondContact OD1-N 3.38Å; N290-G292 VanDerWaalsContact OD1-N 3.09Å; N290-E293 HydrophobicContact CB-CB 4.09Å; N290-E293 PolarHBondContact O-N 3.39Å; N290-E293 PolarHBondContact OD1-N 3.31Å; N290-V294 WeakPolarHBondContact O-CG2 3.48Å; N290-V294 PolarHBondContact O-N 2.7Å | ||
| 291 | S | 91.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 179.6 | -55.2 | 0 | 0 | 0 | 0 | 114.7 | S289 E293 V294 L295 K471 N472 | S289-S291 PolarHBondContact O-N 2.88Å; S291-E293 VanDerWaalsContact C-N 3.35Å; S291-E293 PolarHBondContact O-N 3.47Å; S291-V294 PolarHBondContact O-N 3.18Å; S291-L295 WeakPolarHBondContact O-CB 3.43Å; S291-L295 WeakPolarHBondContact O-CG 3.27Å; S291-L295 PolarHBondContact O-N 3.42Å; S291-K471 PolarHBondContact OG-N 3.02Å; S291-N472 WeakPolarHBondContact CA-OD1 3.38Å; S291-N472 WeakPolarHBondContact CB-OD1 3.23Å; S291-N472 PolarHBondContact N-OD1 3.31Å; S291-N472 PolarHBondContact OG-OD1 3.26Å |
| 292 | G | 93.1 | Very high | 93.6 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N290 R296 | N290-G292 VanDerWaalsContact C-N 3.31Å; N290-G292 PolarHBondContact O-N 2.81Å; N290-G292 PolarHBondContact OD1-N 3.38Å; N290-G292 VanDerWaalsContact OD1-N 3.09Å; G292-R296 VanDerWaalsContact O-CB 3.32Å; G292-R296 WeakPolarHBondContact O-CB 3.47Å; G292-R296 PolarHBondContact O-N 2.98Å |
| 293 | E | 95.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 177.3 | -172.3 | 177.8 | -166.9 | 0 | 0 | 111.8 | P285 A286 N287 N290 S291 L295 R296 N297 | P285-E293 VanDerWaalsContact CA-CD 3.47Å; P285-E293 VanDerWaalsContact CA-OE1 3.29Å; P285-E293 WeakPolarHBondContact CA-OE1 3.41Å; P285-E293 HydrophobicContact CB-CB 4.37Å; P285-E293 VanDerWaalsContact CB-CD 3.42Å; P285-E293 HydrophobicContact CB-CG 3.73Å; P285-E293 WeakPolarHBondContact CB-OE2 3.4Å; A286-E293 VanDerWaalsContact N-CD 3.32Å; A286-E293 PolarHBondContact N-OE1 3.17Å; A286-E293 PolarHBondContact N-OE2 2.82Å; A286-E293 VanDerWaalsContact N-OE2 3.13Å; N287-E293 PolarHBondContact N-OE2 3.39Å; N290-E293 HydrophobicContact CB-CB 4.09Å; N290-E293 PolarHBondContact O-N 3.39Å; N290-E293 PolarHBondContact OD1-N 3.31Å; S291-E293 VanDerWaalsContact C-N 3.35Å; S291-E293 PolarHBondContact O-N 3.47Å; E293-L295 PolarHBondContact O-N 3.45Å; E293-R296 PolarHBondContact O-N 2.75Å; E293-N297 WeakPolarHBondContact O-CB 3.47Å; E293-N297 PolarHBondContact O-N 3.18Å; E293-N297 PolarHBondContact O-OD1 2.71Å |
| 294 | V | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 111 | L220 M282 P285 N290 S291 R296 N297 K298 N472 | L220-V294 HydrophobicContact CD1-CG1 4.27Å; M282-V294 HydrophobicContact CE-CG1 4.12Å; M282-V294 HydrophobicContact CE-CG2 4.5Å; P285-V294 HydrophobicContact CB-CG2 4.4Å; P285-V294 HydrophobicContact CG-CG2 4.11Å; N290-V294 WeakPolarHBondContact O-CG2 3.48Å; N290-V294 PolarHBondContact O-N 2.7Å; S291-V294 PolarHBondContact O-N 3.18Å; V294-R296 VanDerWaalsContact C-N 3.34Å; V294-R296 PolarHBondContact O-N 3.22Å; V294-N297 PolarHBondContact O-N 2.92Å; V294-K298 WeakPolarHBondContact O-CG 3.38Å; V294-K298 PolarHBondContact O-N 3.49Å; V294-N472 HydrophobicContact CG1-CB 4.43Å |
| 295 | L | 95.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | -178.5 | -68.1 | 170.7 | 0 | 0 | 0 | 112.3 | S291 E293 R299 K471 N479 | S291-L295 WeakPolarHBondContact O-CB 3.43Å; S291-L295 WeakPolarHBondContact O-CG 3.27Å; S291-L295 PolarHBondContact O-N 3.42Å; E293-L295 PolarHBondContact O-N 3.45Å; L295-R299 PolarHBondContact O-N 2.78Å; L295-K471 HydrophobicContact CD1-CB 4.27Å; L295-N479 WeakPolarHBondContact CD2-ND2 3.36Å; L295-N479 PolarHBondContact O-ND2 3.33Å; L295-N479 PolarHBondContact O-OD1 3.05Å |
| 296 | R | 95.9 | Very high | 94 | Very high | 128 Ų | 128 | 46.3 Ų | 46.3 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -48 | 174.1 | -175.9 | -177.3 | 65 | -146.6 | -4.9 | 111.4 | G292 E293 V294 K298 R299 E300 | G292-R296 VanDerWaalsContact O-CB 3.32Å; G292-R296 WeakPolarHBondContact O-CB 3.47Å; G292-R296 PolarHBondContact O-N 2.98Å; E293-R296 PolarHBondContact O-N 2.75Å; V294-R296 VanDerWaalsContact C-N 3.34Å; V294-R296 PolarHBondContact O-N 3.22Å; R296-K298 VanDerWaalsContact C-N 3.29Å; R296-K298 PolarHBondContact O-N 2.78Å; R296-R299 WeakPolarHBondContact O-CB 3.47Å; R296-R299 PolarHBondContact O-N 3.05Å; R296-E300 IonicContact NE-OE1 2.73Å; R296-E300 WeakPolarHBondContact O-CG 3.12Å; R296-E300 PolarHBondContact O-N 2.8Å |
| 297 | N | 96.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -34 | -178.7 | -65.8 | 6.3 | 0 | 0 | 0 | 111.8 | M282 K283 E293 V294 E300 V301 | M282-N297 HydrophobicContact CB-CB 4.18Å; M282-N297 HydrophobicContact CG-CB 4.37Å; M282-N297 HydrophobicContact SD-CB 3.85Å; K283-N297 PolarHBondContact O-ND2 3.35Å; E293-N297 WeakPolarHBondContact O-CB 3.47Å; E293-N297 PolarHBondContact O-N 3.18Å; E293-N297 PolarHBondContact O-OD1 2.71Å; V294-N297 PolarHBondContact O-N 2.92Å; N297-E300 PolarHBondContact O-N 3.41Å; N297-V301 PolarHBondContact O-N 2.94Å |
| 298 | K | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 170.2 | -73.1 | -173.7 | 175.8 | -172.8 | 0 | 111.8 | E275 T278 M282 V294 R296 V301 L302 N472 | E275-K298 IonicContact OE2-NZ 2.63Å; E275-K298 PolarHBondContact OE2-NZ 3.37Å; T278-K298 HydrophobicContact CG2-CB 4.49Å; M282-K298 HydrophobicContact SD-CG 3.71Å; V294-K298 WeakPolarHBondContact O-CG 3.38Å; V294-K298 PolarHBondContact O-N 3.49Å; R296-K298 VanDerWaalsContact C-N 3.29Å; R296-K298 PolarHBondContact O-N 2.78Å; K298-V301 PolarHBondContact O-N 3.43Å; K298-L302 WeakPolarHBondContact O-CG 3.4Å; K298-L302 PolarHBondContact O-N 3.42Å; K298-L302 VanDerWaalsContact O-N 3.14Å; K298-N472 PolarHBondContact NZ-O 3.38Å |
| 299 | R | 96.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.9 | -162.9 | -175.5 | -49 | 172.3 | 11.5 | 112.7 | L295 R296 V301 L302 G303 E478 N479 A482 | L295-R299 PolarHBondContact O-N 2.78Å; R296-R299 WeakPolarHBondContact O-CB 3.47Å; R296-R299 PolarHBondContact O-N 3.05Å; R299-V301 PolarHBondContact O-N 3.35Å; R299-L302 PolarHBondContact O-N 3.03Å; R299-L302 VanDerWaalsContact O-N 3.15Å; R299-G303 PolarHBondContact O-N 2.81Å; R299-E478 IonicContact CZ-OE1 2.84Å; R299-E478 IonicContact CZ-OE2 3.49Å; R299-E478 IonicContact NH1-OE1 3.9Å; R299-E478 PolarHBondContact NH1-OE1 2.94Å; R299-E478 IonicContact NH1-OE2 3.72Å; R299-E478 PolarHBondContact NH1-OE2 2.95Å; R299-E478 VanDerWaalsContact NH1-OE2 3.1Å; R299-E478 VanDerWaalsContact NH2-CB 3.33Å; R299-E478 IonicContact NH2-OE1 3.28Å; R299-E478 IonicContact NH2-OE2 3.5Å; R299-E478 PolarHBondContact NH2-OE2 3.12Å; R299-N479 VanDerWaalsContact CA-OD1 3.31Å; R299-N479 WeakPolarHBondContact CA-OD1 3.4Å; R299-N479 VanDerWaalsContact CB-OD1 3.23Å; R299-N479 WeakPolarHBondContact CB-OD1 3.4Å; R299-N479 PolarHBondContact N-OD1 3.34Å; R299-A482 HydrophobicContact CG-CB 4.2Å |
| 300 | E | 96.9 | Very high | 94.7 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57 | -40.7 | 178.7 | -73.3 | 173.1 | -172.2 | 0 | 0 | 110.9 | R296 N297 S304 | R296-E300 IonicContact NE-OE1 2.73Å; R296-E300 WeakPolarHBondContact O-CG 3.12Å; R296-E300 PolarHBondContact O-N 2.8Å; N297-E300 PolarHBondContact O-N 3.41Å; E300-S304 WeakPolarHBondContact O-CB 3.4Å; E300-S304 PolarHBondContact O-N 3.42Å; E300-S304 VanDerWaalsContact O-N 3.15Å; E300-S304 PolarHBondContact O-OG 3.11Å |
| 301 | V | 97.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 173.5 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | M277 T281 M282 N297 K298 R299 G303 S304 M305 I349 | M277-V301 HydrophobicContact SD-CG1 4.4Å; T281-V301 WeakPolarHBondContact OG1-CG1 3.27Å; M282-V301 HydrophobicContact CB-CG2 3.63Å; N297-V301 PolarHBondContact O-N 2.94Å; K298-V301 PolarHBondContact O-N 3.43Å; R299-V301 PolarHBondContact O-N 3.35Å; V301-G303 VanDerWaalsContact C-N 3.29Å; V301-G303 PolarHBondContact O-N 3.13Å; V301-S304 CarbonylContact O-C 3.58Å; V301-S304 WeakPolarHBondContact O-CA 3.42Å; V301-S304 PolarHBondContact O-N 3.24Å; V301-M305 PolarHBondContact O-N 3.42Å; V301-I349 HydrophobicContact CG1-CD1 4.04Å |
| 302 | L | 97.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -43.8 | -179.1 | -69.1 | 169.7 | 0 | 0 | 0 | 111.4 | T274 T278 K298 R299 S304 M305 A482 V486 | T274-L302 HydrophobicContact CG2-CD2 3.63Å; T278-L302 HydrophobicContact CG2-CD1 4.42Å; T278-L302 HydrophobicContact CG2-CD2 3.94Å; T278-L302 HydrophobicContact CG2-CG 3.96Å; K298-L302 WeakPolarHBondContact O-CG 3.4Å; K298-L302 PolarHBondContact O-N 3.42Å; K298-L302 VanDerWaalsContact O-N 3.14Å; R299-L302 PolarHBondContact O-N 3.03Å; R299-L302 VanDerWaalsContact O-N 3.15Å; L302-S304 PolarHBondContact O-N 3.4Å; L302-M305 HydrophobicContact CD2-SD 4.01Å; L302-M305 WeakPolarHBondContact O-CB 3.27Å; L302-M305 PolarHBondContact O-N 3.09Å; L302-A482 HydrophobicContact CB-CB 3.94Å; L302-A482 HydrophobicContact CD1-CB 4.01Å; L302-V486 WeakPolarHBondContact O-CG2 3.33Å |
| 303 | G | 96.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 65% | 0.649 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68.6 | -17.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R299 V301 | R299-G303 PolarHBondContact O-N 2.81Å; V301-G303 VanDerWaalsContact C-N 3.29Å; V301-G303 PolarHBondContact O-N 3.13Å |
| 304 | S | 96.6 | Very high | 94.7 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 1.5 | 175.9 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | E300 V301 L302 E350 | E300-S304 WeakPolarHBondContact O-CB 3.4Å; E300-S304 PolarHBondContact O-N 3.42Å; E300-S304 VanDerWaalsContact O-N 3.15Å; E300-S304 PolarHBondContact O-OG 3.11Å; V301-S304 CarbonylContact O-C 3.58Å; V301-S304 WeakPolarHBondContact O-CA 3.42Å; V301-S304 PolarHBondContact O-N 3.24Å; L302-S304 PolarHBondContact O-N 3.4Å; S304-E350 WeakPolarHBondContact O-CB 3.01Å; S304-E350 PolarHBondContact O-N 3.48Å |
| 305 | M | 96.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 134.6 | 176.2 | -69.5 | -177.4 | 69.3 | 0 | 0 | 110.7 | M277 V301 L302 A347 I349 V486 | M277-M305 HydrophobicContact CE-CE 3.37Å; M277-M305 HydrophobicContact CE-SD 3.49Å; M277-M305 WeakPolarHBondContact CE-SD 3.29Å; M277-M305 HydrophobicContact SD-CE 4.35Å; M277-M305 HydrophobicContact SD-SD 4.12Å; V301-M305 PolarHBondContact O-N 3.42Å; L302-M305 HydrophobicContact CD2-SD 4.01Å; L302-M305 WeakPolarHBondContact O-CB 3.27Å; L302-M305 PolarHBondContact O-N 3.09Å; M305-A347 HydrophobicContact CE-CB 3.73Å; M305-I349 HydrophobicContact CG-CG1 4.5Å; M305-V486 HydrophobicContact CB-CG1 4.36Å; M305-V486 HydrophobicContact CB-CG2 3.99Å; M305-V486 HydrophobicContact CE-CG1 3.61Å; M305-V486 HydrophobicContact CG-CG2 4.48Å; M305-V486 HydrophobicContact SD-CB 4.47Å; M305-V486 HydrophobicContact SD-CG1 3.86Å; M305-V486 HydrophobicContact SD-CG2 3.99Å |
| 306 | L | 94.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 144.6 | 171.5 | -66.5 | -174.3 | 0 | 0 | 0 | 110.6 | L308 H348 E350 K519 | L306-L308 PolarHBondContact O-N 3.33Å; L306-H348 HydrophobicContact CB-CB 4.4Å; L306-H348 HydrophobicContact CD1-CB 3.85Å; L306-H348 HydrophobicContact CG-CB 4.25Å; L306-H348 PolarHBondContact N-O 3.15Å; L306-E350 HydrophobicContact CD2-CB 3.93Å; L306-E350 HydrophobicContact CD2-CG 4.42Å; L306-E350 HydrophobicContact CG-CB 4.46Å; L306-K519 HydrophobicContact CD1-CD 4.11Å |
| 307 | P | 92.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 71% | 0.708 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -54.1 | 133.6 | 179.9 | -27.5 | 34.5 | 0 | 0 | 0 | 112.8 | ||
| 308 | L | 95 | Very high | 94.3 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | trans | -89.4 | 112.9 | 177.2 | -60.7 | 178.9 | 0 | 0 | 0 | 110 | L306 Q312 V345 A347 V486 W487 L490 | L306-L308 PolarHBondContact O-N 3.33Å; L308-Q312 HydrophobicContact CD2-CB 4.2Å; L308-Q312 HydrophobicContact CD2-CG 4.48Å; L308-V345 HydrophobicContact CD1-CG1 4.02Å; L308-V345 HydrophobicContact CD2-CG1 4.17Å; L308-A347 HydrophobicContact CD2-CB 4.26Å; L308-V486 HydrophobicContact CD1-CG1 3.63Å; L308-V486 HydrophobicContact CG-CG1 4.02Å; L308-W487 HydrophobicContact CD1-CD2 4.23Å; L308-W487 HydrophobicContact CD1-CE3 3.98Å; L308-W487 HydrophobicContact CD1-CH2 4.28Å; L308-W487 HydrophobicContact CD1-CZ3 4.01Å; L308-L490 HydrophobicContact CB-CB 3.8Å; L308-L490 HydrophobicContact CB-CD2 4.19Å; L308-L490 HydrophobicContact CB-CG 4.4Å; L308-L490 HydrophobicContact CD1-CD2 4.23Å; L308-L490 WeakPolarHBondContact O-CA 3.34Å; L308-L490 PolarHBondContact O-N 2.9Å | ||
| 309 | G | 88.9 | Confident | 93.8 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 24% | 0.237 | 23% | 0.229 | C | C | . | . | trans | -110.2 | -176.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N311 Q312 L490 | G309-N311 PolarHBondContact O-N 2.67Å; G309-N311 VanDerWaalsContact O-N 3.15Å; G309-Q312 VanDerWaalsContact CA-OE1 3.3Å; G309-Q312 WeakPolarHBondContact O-CB 3.15Å; G309-Q312 PolarHBondContact O-N 3.02Å; G309-Q312 PolarHBondContact O-OE1 3.45Å; G309-L490 WeakPolarHBondContact O-CD1 3.06Å | ||
| 310 | K | 87.1 | Confident | 93.4 | Very high | 122 Ų | 122 | 40.8 Ų | 40.8 | 53% | 0.53 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -55.5 | -34.5 | -179 | -172.8 | 176 | 179.4 | 178.1 | 0 | 113.4 | Q312 A313 A493 L494 S497 | K310-Q312 VanDerWaalsContact C-N 3.25Å; K310-Q312 PolarHBondContact O-N 2.87Å; K310-A313 PolarHBondContact O-N 2.94Å; K310-A493 HydrophobicContact CB-CB 4.27Å; K310-L494 HydrophobicContact CG-CD2 4.44Å; K310-S497 WeakPolarHBondContact CE-OG 3.11Å |
| 311 | N | 87.9 | Confident | 93.2 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 43% | 0.428 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -79.4 | -8 | -178.2 | -64.1 | -0.4 | 0 | 0 | 0 | 113.2 | G309 E520 I521 | G309-N311 PolarHBondContact O-N 2.67Å; G309-N311 VanDerWaalsContact O-N 3.15Å; N311-E520 HydrophobicContact CB-CB 4.48Å; N311-E520 HydrophobicContact CB-CG 4.03Å; N311-E520 PolarHBondContact ND2-OE1 3.36Å; N311-E520 VanDerWaalsContact O-CA 3.31Å; N311-E520 WeakPolarHBondContact O-CA 3.09Å; N311-I521 PolarHBondContact O-N 3.05Å |
| 312 | Q | 95.4 | Very high | 92.7 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -94.1 | 3.5 | 175.6 | -74.3 | 68.3 | 40.5 | 0 | 0 | 112.2 | L308 G309 K310 V345 L346 K519 I521 | L308-Q312 HydrophobicContact CD2-CB 4.2Å; L308-Q312 HydrophobicContact CD2-CG 4.48Å; G309-Q312 VanDerWaalsContact CA-OE1 3.3Å; G309-Q312 WeakPolarHBondContact O-CB 3.15Å; G309-Q312 PolarHBondContact O-N 3.02Å; G309-Q312 PolarHBondContact O-OE1 3.45Å; K310-Q312 VanDerWaalsContact C-N 3.25Å; K310-Q312 PolarHBondContact O-N 2.87Å; Q312-V345 CarbonylContact O-C 3.59Å; Q312-V345 WeakPolarHBondContact O-CA 3.21Å; Q312-L346 PolarHBondContact O-N 2.82Å; Q312-K519 PolarHBondContact NE2-O 3.12Å; Q312-I521 WeakPolarHBondContact O-CG2 3.36Å |
| 313 | A | 96.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K310 A344 V345 L490 L494 I521 | K310-A313 PolarHBondContact O-N 2.94Å; A313-A344 WeakPolarHBondContact CA-O 3.48Å; A313-V345 HydrophobicContact CB-CG2 3.9Å; A313-L490 HydrophobicContact CB-CD1 3.73Å; A313-L490 HydrophobicContact CB-CD2 4.14Å; A313-L490 HydrophobicContact CB-CG 4.47Å; A313-L494 HydrophobicContact CB-CD1 4.16Å; A313-I521 VanDerWaalsContact N-CG2 3.31Å |
| 314 | V | 93.7 | Very high | 92 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.3 | 159.1 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | F342 A343 A344 V514 I521 F523 | V314-F342 HydrophobicContact CG2-CE1 4.46Å; V314-A343 WeakPolarHBondContact O-CA 3.42Å; V314-A344 HydrophobicContact CG2-CB 3.78Å; V314-A344 PolarHBondContact N-O 2.94Å; V314-A344 PolarHBondContact O-N 2.85Å; V314-V514 HydrophobicContact CG2-CG1 3.6Å; V314-I521 HydrophobicContact CG1-CG1 4.34Å; V314-I521 HydrophobicContact CG1-CG2 4.4Å; V314-I521 HydrophobicContact CG2-CD1 4.29Å; V314-I521 HydrophobicContact CG2-CG1 4.38Å; V314-F523 HydrophobicContact CB-CD1 4.39Å; V314-F523 HydrophobicContact CB-CD2 4.06Å; V314-F523 HydrophobicContact CB-CE1 4.01Å; V314-F523 HydrophobicContact CB-CE2 3.67Å; V314-F523 HydrophobicContact CB-CG 4.41Å; V314-F523 HydrophobicContact CB-CZ 3.64Å; V314-F523 HydrophobicContact CG1-CD2 4.11Å; V314-F523 HydrophobicContact CG1-CE2 4.2Å; V314-F523 HydrophobicContact CG1-CG 4.39Å; V314-F523 HydrophobicContact CG2-CD1 4.15Å; V314-F523 HydrophobicContact CG2-CE1 3.74Å; V314-F523 HydrophobicContact CG2-CE2 4.33Å; V314-F523 HydrophobicContact CG2-CZ 3.85Å |
| 315 | V | 95.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.5 | -176.1 | -72.1 | 0 | 0 | 0 | 0 | 111 | I265 F342 A343 L494 P499 R500 | I265-V315 HydrophobicContact CD1-CG1 4.41Å; V315-F342 CarbonylContact C-O 3.54Å; V315-F342 WeakPolarHBondContact CA-O 3.32Å; V315-A343 HydrophobicContact CG1-CB 4.19Å; V315-L494 HydrophobicContact CG1-CD1 3.91Å; V315-L494 HydrophobicContact CG1-CD2 4.48Å; V315-L494 HydrophobicContact CG2-CD2 4.42Å; V315-P499 HydrophobicContact CG2-CB 4.46Å; V315-R500 PolarHBondContact O-N 3.49Å |
| 316 | G | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S340 T341 F342 R500 | G316-S340 CarbonylContact O-C 3.57Å; G316-S340 WeakPolarHBondContact O-CA 3.15Å; G316-T341 PolarHBondContact O-N 2.84Å; G316-F342 PolarHBondContact N-O 3.47Å; G316-F342 PolarHBondContact O-N 2.89Å; G316-R500 CarbonylContact C-O 3.5Å; G316-R500 WeakPolarHBondContact CA-O 3.49Å |
| 317 | Q | 93.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 127.5 | 177.1 | -177.1 | -177.2 | 92.2 | 0 | 0 | 109 | Y321 S337 T339 T341 P499 R500 I501 Y502 | Q317-Y321 VanDerWaalsContact CD-CD1 3.46Å; Q317-Y321 HydrophobicContact CG-CD1 3.77Å; Q317-Y321 HydrophobicContact CG-CG 3.96Å; Q317-S337 PolarHBondContact NE2-O 3.36Å; Q317-T339 PolarHBondContact NE2-O 2.79Å; Q317-T341 VanDerWaalsContact CA-OG1 3.25Å; Q317-T341 WeakPolarHBondContact CA-OG1 3.18Å; Q317-T341 HydrophobicContact CG-CG2 4.19Å; Q317-P499 HydrophobicContact CB-CB 3.71Å; Q317-P499 HydrophobicContact CB-CG 3.53Å; Q317-P499 HydrophobicContact CG-CG 4.46Å; Q317-R500 PolarHBondContact N-O 3.18Å; Q317-I501 HydrophobicContact CB-CD1 4.04Å; Q317-I501 VanDerWaalsContact O-CA 3.27Å; Q317-I501 WeakPolarHBondContact O-CA 3.41Å; Q317-Y502 VanDerWaalsContact C-CD1 3.48Å; Q317-Y502 WeakPolarHBondContact O-CD1 3.41Å; Q317-Y502 PolarHBondContact O-N 2.73Å; Q317-Y502 VanDerWaalsContact O-N 3.12Å |
| 318 | Y | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 146.7 | 178.3 | 63 | -95.8 | 0 | 0 | 0 | 110.8 | D251 V252 N320 Y321 E324 T341 K365 M366 Y502 | D251-Y318 HydrophobicContact CB-CE2 4.47Å; V252-Y318 WeakPolarHBondContact CB-OH 3.28Å; V252-Y318 HydrophobicContact CG2-CE1 4.02Å; V252-Y318 PolarHBondContact N-OH 2.94Å; Y318-N320 VanDerWaalsContact C-N 3.3Å; Y318-N320 HydrophobicContact CD2-CB 4.04Å; Y318-N320 HydrophobicContact CE2-CB 4.12Å; Y318-N320 PolarHBondContact O-N 3.41Å; Y318-Y321 AromaticContact CE1-CD2 3.87Å; Y318-Y321 HydrophobicContact CE1-CD2 3.87Å; Y318-Y321 HydrophobicContact CE1-CG 4.48Å; Y318-Y321 HydrophobicContact CE2-CD2 4.3Å; Y318-Y321 VanDerWaalsContact CE2-N 3.26Å; Y318-Y321 AromaticContact CZ-CD2 3.62Å; Y318-Y321 WeakPolarHBondContact O-CB 3.49Å; Y318-Y321 PolarHBondContact O-N 3.49Å; Y318-Y321 WeakPolarHBondContact OH-CD2 3.34Å; Y318-E324 WeakPolarHBondContact CE2-OE1 3.49Å; Y318-E324 WeakPolarHBondContact CE2-OE2 2.9Å; Y318-E324 PolarHBondContact OH-OE2 2.82Å; Y318-T341 HydrophobicContact CD1-CG2 3.74Å; Y318-T341 VanDerWaalsContact CD1-OG1 3.3Å; Y318-T341 WeakPolarHBondContact CD1-OG1 3.27Å; Y318-T341 HydrophobicContact CE1-CG2 3.6Å; Y318-T341 PolarHBondContact N-OG1 2.81Å; Y318-K365 HydrophobicContact CD1-CB 4.35Å; Y318-K365 HydrophobicContact CE1-CB 4.15Å; Y318-M366 HydrophobicContact CD1-CB 3.95Å; Y318-M366 HydrophobicContact CD1-CG 3.84Å; Y318-M366 HydrophobicContact CD2-CG 4.02Å; Y318-M366 HydrophobicContact CE1-CG 4.05Å; Y318-M366 HydrophobicContact CE2-CG 4.23Å; Y318-M366 HydrophobicContact CG-CB 3.91Å; Y318-M366 HydrophobicContact CG-CG 3.82Å; Y318-Y502 CarbonylContact C-O 3.49Å; Y318-Y502 VanDerWaalsContact CA-O 3.26Å; Y318-Y502 WeakPolarHBondContact CA-O 3.38Å; Y318-Y502 VanDerWaalsContact CB-CE2 3.49Å |
| 319 | Q | 86.3 | Confident | 90.8 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -40.2 | -167.8 | -174.4 | 173.1 | 5.5 | 0 | 0 | 113.5 | Y321 I501 Y502 | Q319-Y321 VanDerWaalsContact C-N 3.27Å; Q319-Y321 PolarHBondContact O-N 3.29Å; Q319-I501 HydrophobicContact CB-CG2 3.93Å; Q319-I501 HydrophobicContact CG-CG2 4.24Å; Q319-Y502 PolarHBondContact N-O 3Å |
| 320 | N | 88.8 | Confident | 90.8 | Very high | 85 Ų | 85 | 49 Ų | 49 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.8 | -178.2 | -68.4 | -11 | 0 | 0 | 0 | 114.2 | Y318 K322 T323 E324 | Y318-N320 VanDerWaalsContact C-N 3.3Å; Y318-N320 HydrophobicContact CD2-CB 4.04Å; Y318-N320 HydrophobicContact CE2-CB 4.12Å; Y318-N320 PolarHBondContact O-N 3.41Å; N320-K322 VanDerWaalsContact C-N 3.28Å; N320-K322 PolarHBondContact O-N 2.95Å; N320-T323 WeakPolarHBondContact O-CB 3.3Å; N320-T323 PolarHBondContact O-N 3.05Å; N320-E324 PolarHBondContact O-N 3Å; N320-E324 VanDerWaalsContact O-N 3.09Å |
| 321 | Y | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -39 | -175.2 | -172.8 | -98.7 | 0 | 0 | 0 | 112.3 | V252 I256 Y259 D260 Q317 Y318 Q319 T323 E324 V325 T341 | V252-Y321 HydrophobicContact CB-CD2 4.45Å; V252-Y321 HydrophobicContact CB-CE2 4.1Å; V252-Y321 HydrophobicContact CG1-CE2 4.19Å; V252-Y321 HydrophobicContact CG2-CE2 4.24Å; I256-Y321 HydrophobicContact CD1-CD2 4.03Å; I256-Y321 HydrophobicContact CD1-CE2 3.61Å; Y259-Y321 HydrophobicContact CD1-CE2 4.22Å; D260-Y321 VanDerWaalsContact CA-OH 3.3Å; D260-Y321 WeakPolarHBondContact CA-OH 3.44Å; D260-Y321 WeakPolarHBondContact CB-OH 3.49Å; D260-Y321 WeakPolarHBondContact OD1-CE1 3.41Å; D260-Y321 PolarHBondContact OD1-OH 3.35Å; Q317-Y321 VanDerWaalsContact CD-CD1 3.46Å; Q317-Y321 HydrophobicContact CG-CD1 3.77Å; Q317-Y321 HydrophobicContact CG-CG 3.96Å; Y318-Y321 AromaticContact CE1-CD2 3.87Å; Y318-Y321 HydrophobicContact CE1-CD2 3.87Å; Y318-Y321 HydrophobicContact CE1-CG 4.48Å; Y318-Y321 HydrophobicContact CE2-CD2 4.3Å; Y318-Y321 VanDerWaalsContact CE2-N 3.26Å; Y318-Y321 AromaticContact CZ-CD2 3.62Å; Y318-Y321 WeakPolarHBondContact O-CB 3.49Å; Y318-Y321 PolarHBondContact O-N 3.49Å; Y318-Y321 WeakPolarHBondContact OH-CD2 3.34Å; Q319-Y321 VanDerWaalsContact C-N 3.27Å; Q319-Y321 PolarHBondContact O-N 3.29Å; Y321-T323 VanDerWaalsContact C-N 3.32Å; Y321-T323 PolarHBondContact O-N 2.8Å; Y321-E324 PolarHBondContact O-N 3.23Å; Y321-V325 HydrophobicContact CD1-CG2 3.82Å; Y321-V325 HydrophobicContact CE1-CG2 3.44Å; Y321-V325 VanDerWaalsContact CE1-CG2 3.44Å; Y321-V325 HydrophobicContact CE2-CG2 4.43Å; Y321-V325 HydrophobicContact CG-CG2 4.46Å; Y321-V325 VanDerWaalsContact O-CG2 3.29Å; Y321-V325 WeakPolarHBondContact O-CG2 3.37Å; Y321-V325 PolarHBondContact O-N 3Å; Y321-T341 HydrophobicContact CD1-CG2 4.45Å; Y321-T341 HydrophobicContact CD2-CG2 3.57Å; Y321-T341 HydrophobicContact CE2-CG2 3.83Å; Y321-T341 HydrophobicContact CG-CG2 3.9Å |
| 322 | K | 86.9 | Confident | 90.1 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 176.5 | -179.9 | 180 | 175.9 | -177.3 | 0 | 111.7 | N320 V325 Q326 | N320-K322 VanDerWaalsContact C-N 3.28Å; N320-K322 PolarHBondContact O-N 2.95Å; K322-V325 PolarHBondContact O-N 2.84Å; K322-Q326 VanDerWaalsContact O-CG 3.28Å; K322-Q326 WeakPolarHBondContact O-CG 3.19Å; K322-Q326 PolarHBondContact O-N 3.15Å; K322-Q326 VanDerWaalsContact O-N 3.08Å |
| 323 | T | 86.8 | Confident | 89 | Confident | 67 Ų | 67 | 55 Ų | 55 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | -179.7 | -55.1 | 0 | 0 | 0 | 0 | 111 | N320 Y321 Q326 Q327 | N320-T323 WeakPolarHBondContact O-CB 3.3Å; N320-T323 PolarHBondContact O-N 3.05Å; Y321-T323 VanDerWaalsContact C-N 3.32Å; Y321-T323 PolarHBondContact O-N 2.8Å; T323-Q326 PolarHBondContact O-N 3.09Å; T323-Q327 VanDerWaalsContact O-CG 3.3Å; T323-Q327 WeakPolarHBondContact O-CG 3.19Å; T323-Q327 PolarHBondContact O-N 3.45Å |
| 324 | E | 92.3 | Very high | 87.6 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.9 | -69 | 164.3 | -161.5 | 0 | 0 | 111.9 | I256 Y318 N320 Y321 Q327 E328 | I256-E324 HydrophobicContact CD1-CB 3.93Å; I256-E324 HydrophobicContact CG1-CB 4.24Å; Y318-E324 WeakPolarHBondContact CE2-OE1 3.49Å; Y318-E324 WeakPolarHBondContact CE2-OE2 2.9Å; Y318-E324 PolarHBondContact OH-OE2 2.82Å; N320-E324 PolarHBondContact O-N 3Å; N320-E324 VanDerWaalsContact O-N 3.09Å; Y321-E324 PolarHBondContact O-N 3.23Å; E324-Q327 PolarHBondContact O-N 3.32Å; E324-E328 WeakPolarHBondContact O-CB 3.12Å; E324-E328 PolarHBondContact O-N 2.93Å |
| 325 | V | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 174.1 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | I256 Y321 K322 Q327 L329 Y335 | I256-V325 HydrophobicContact CG2-CB 4.23Å; I256-V325 HydrophobicContact CG2-CG2 3.6Å; Y321-V325 HydrophobicContact CD1-CG2 3.82Å; Y321-V325 HydrophobicContact CE1-CG2 3.44Å; Y321-V325 VanDerWaalsContact CE1-CG2 3.44Å; Y321-V325 HydrophobicContact CE2-CG2 4.43Å; Y321-V325 HydrophobicContact CG-CG2 4.46Å; Y321-V325 VanDerWaalsContact O-CG2 3.29Å; Y321-V325 WeakPolarHBondContact O-CG2 3.37Å; Y321-V325 PolarHBondContact O-N 3Å; K322-V325 PolarHBondContact O-N 2.84Å; V325-Q327 VanDerWaalsContact C-N 3.32Å; V325-Q327 PolarHBondContact O-N 3.1Å; V325-L329 HydrophobicContact CG1-CD1 4.14Å; V325-L329 WeakPolarHBondContact O-CB 3.43Å; V325-L329 PolarHBondContact O-N 3.09Å; V325-Y335 HydrophobicContact CG1-CD1 3.72Å; V325-Y335 HydrophobicContact CG1-CE1 3.54Å |
| 326 | Q | 88.4 | Confident | 85.8 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 178.2 | -71.7 | 174.5 | 0.4 | 0 | 0 | 111.9 | K322 T323 N330 K331 T332 K333 Y335 | K322-Q326 VanDerWaalsContact O-CG 3.28Å; K322-Q326 WeakPolarHBondContact O-CG 3.19Å; K322-Q326 PolarHBondContact O-N 3.15Å; K322-Q326 VanDerWaalsContact O-N 3.08Å; T323-Q326 PolarHBondContact O-N 3.09Å; Q326-N330 WeakPolarHBondContact O-CA 3.38Å; Q326-N330 PolarHBondContact O-N 2.9Å; Q326-K331 PolarHBondContact O-N 3.08Å; Q326-T332 PolarHBondContact NE2-O 2.91Å; Q326-K333 PolarHBondContact NE2-O 3.27Å; Q326-Y335 PolarHBondContact NE2-O 3.24Å |
| 327 | Q | 89.6 | Confident | 85.6 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 58% | 0.575 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -73.2 | -49.5 | -179.7 | -71.1 | 175.8 | 0.9 | 0 | 0 | 112.9 | T323 E324 V325 | T323-Q327 VanDerWaalsContact O-CG 3.3Å; T323-Q327 WeakPolarHBondContact O-CG 3.19Å; T323-Q327 PolarHBondContact O-N 3.45Å; E324-Q327 PolarHBondContact O-N 3.32Å; V325-Q327 VanDerWaalsContact C-N 3.32Å; V325-Q327 PolarHBondContact O-N 3.1Å |
| 328 | E | 91.9 | Very high | 85.3 | Confident | 65 Ų | 65 | 70 Ų | 70 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -78.8 | -31.9 | -173.4 | -71.7 | -173.6 | -150.8 | 0 | 0 | 113.2 | K253 G254 I256 E324 | K253-E328 WeakPolarHBondContact CA-OE1 3.32Å; K253-E328 WeakPolarHBondContact CG-OE1 3.46Å; G254-E328 WeakPolarHBondContact CA-OE2 3.35Å; G254-E328 VanDerWaalsContact N-CD 3.34Å; G254-E328 PolarHBondContact N-OE1 3.28Å; G254-E328 PolarHBondContact N-OE2 3.32Å; I256-E328 HydrophobicContact CB-CB 4.1Å; I256-E328 WeakPolarHBondContact CB-OE2 3.5Å; I256-E328 HydrophobicContact CG1-CB 4.36Å; I256-E328 VanDerWaalsContact CG1-CD 3.41Å; I256-E328 HydrophobicContact CG1-CG 4.3Å; I256-E328 VanDerWaalsContact CG1-OE2 3.26Å; I256-E328 WeakPolarHBondContact CG1-OE2 3.41Å; I256-E328 PolarHBondContact N-OE2 2.8Å; E324-E328 WeakPolarHBondContact O-CB 3.12Å; E324-E328 PolarHBondContact O-N 2.93Å |
| 329 | L | 90.2 | Very high | 85.3 | Confident | 48 Ų | 48 | 71 Ų | 71 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 6.3 | -178.6 | -52.5 | -170.9 | 0 | 0 | 0 | 113.4 | I256 D260 V325 K331 | I256-L329 HydrophobicContact CG2-CD1 4.1Å; I256-L329 HydrophobicContact CG2-CD2 4.36Å; I256-L329 HydrophobicContact CG2-CG 4Å; D260-L329 HydrophobicContact CB-CD1 4.36Å; V325-L329 HydrophobicContact CG1-CD1 4.14Å; V325-L329 WeakPolarHBondContact O-CB 3.43Å; V325-L329 PolarHBondContact O-N 3.09Å; L329-K331 HydrophobicContact CB-CD 4.47Å; L329-K331 HydrophobicContact CB-CG 3.76Å; L329-K331 PolarHBondContact O-N 2.88Å |
| 330 | N | 88.8 | Confident | 85.7 | Confident | 151 Ų | 151 | 67.6 Ų | 67.6 | 81% | 0.807 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 43.4 | -175.7 | -68.8 | -37.8 | 0 | 0 | 0 | 112.7 | Q326 | Q326-N330 WeakPolarHBondContact O-CA 3.38Å; Q326-N330 PolarHBondContact O-N 2.9Å |
| 331 | K | 81.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | trans | -88.7 | 153.7 | 179.5 | -59.7 | -69.6 | -176.9 | -178.5 | 0 | 110.6 | Q326 L329 Y335 | Q326-K331 PolarHBondContact O-N 3.08Å; L329-K331 HydrophobicContact CB-CD 4.47Å; L329-K331 HydrophobicContact CB-CG 3.76Å; L329-K331 PolarHBondContact O-N 2.88Å; K331-Y335 HydrophobicContact CB-CD1 3.87Å; K331-Y335 HydrophobicContact CB-CG 3.77Å; K331-Y335 HydrophobicContact CD-CD1 4.47Å; K331-Y335 HydrophobicContact CD-CD2 4.25Å; K331-Y335 HydrophobicContact CD-CE2 4.43Å; K331-Y335 HydrophobicContact CD-CG 4.27Å; K331-Y335 HydrophobicContact CG-CD1 3.87Å; K331-Y335 HydrophobicContact CG-CD2 4.47Å; K331-Y335 HydrophobicContact CG-CE1 4.21Å; K331-Y335 HydrophobicContact CG-CG 4.01Å | ||
| 332 | T | 78.3 | Confident | 86.4 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | trans | -65.6 | 159.3 | 177.6 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | Q326 E334 Y335 | Q326-T332 PolarHBondContact NE2-O 2.91Å; T332-E334 PolarHBondContact O-N 2.78Å; T332-E334 VanDerWaalsContact O-N 3.1Å; T332-Y335 WeakPolarHBondContact O-CB 3.47Å; T332-Y335 PolarHBondContact O-N 2.96Å | ||
| 333 | K | 72 | Confident | 87 | Confident | 175 Ų | 175 | 60.9 Ų | 60.9 | 76% | 0.761 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.7 | 175.8 | -70.9 | -173.9 | 177.4 | -177.5 | 0 | 113.6 | Q326 | Q326-K333 PolarHBondContact NE2-O 3.27Š|
| 334 | E | 67.3 | Low | 87.5 | Confident | 158 Ų | 158 | 57.7 Ų | 57.7 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.5 | 177.1 | -60.7 | -177.9 | 175.1 | 0 | 0 | 113.6 | T332 V336 | T332-E334 PolarHBondContact O-N 2.78Å; T332-E334 VanDerWaalsContact O-N 3.1Å; E334-V336 PolarHBondContact O-N 3.47Å |
| 335 | Y | 75.9 | Confident | 87.8 | Confident | 80 Ų | 80 | 56.9 Ų | 56.9 | 31% | 0.314 | 28% | 0.281 | S | S | . | . | trans | -67.5 | 127.1 | 178.1 | -174.7 | -99.5 | 0 | 0 | 0 | 110.5 | V325 Q326 K331 T332 | V325-Y335 HydrophobicContact CG1-CD1 3.72Å; V325-Y335 HydrophobicContact CG1-CE1 3.54Å; Q326-Y335 PolarHBondContact NE2-O 3.24Å; K331-Y335 HydrophobicContact CB-CD1 3.87Å; K331-Y335 HydrophobicContact CB-CG 3.77Å; K331-Y335 HydrophobicContact CD-CD1 4.47Å; K331-Y335 HydrophobicContact CD-CD2 4.25Å; K331-Y335 HydrophobicContact CD-CE2 4.43Å; K331-Y335 HydrophobicContact CD-CG 4.27Å; K331-Y335 HydrophobicContact CG-CD1 3.87Å; K331-Y335 HydrophobicContact CG-CD2 4.47Å; K331-Y335 HydrophobicContact CG-CE1 4.21Å; K331-Y335 HydrophobicContact CG-CG 4.01Å; T332-Y335 WeakPolarHBondContact O-CB 3.47Å; T332-Y335 PolarHBondContact O-N 2.96Å | ||
| 336 | V | 76.6 | Confident | 88.2 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | trans | -119 | 116 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | E334 L338 F498 | E334-V336 PolarHBondContact O-N 3.47Å; V336-L338 HydrophobicContact CG1-CD2 4.36Å; V336-F498 HydrophobicContact CG1-CE1 4.46Å | ||
| 337 | S | 86.4 | Confident | 88.7 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | trans | -82.7 | 134.2 | 170.1 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | D260 Q317 T339 | D260-S337 WeakPolarHBondContact OD1-CB 3.27Å; D260-S337 PolarHBondContact OD1-OG 2.93Å; Q317-S337 PolarHBondContact NE2-O 3.36Å; S337-T339 VanDerWaalsContact C-N 3.33Å; S337-T339 WeakPolarHBondContact OG-CB 3.41Å; S337-T339 PolarHBondContact OG-N 3.02Å; S337-T339 VanDerWaalsContact OG-N 3.1Å; S337-T339 PolarHBondContact OG-OG1 2.84Å; S337-T339 VanDerWaalsContact OG-OG1 3.06Å | ||
| 338 | L | 87.6 | Confident | 89 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | trans | -93.9 | 7.7 | 173.2 | -57 | -177.9 | 0 | 0 | 0 | 112.3 | V336 S340 F498 | V336-L338 HydrophobicContact CG1-CD2 4.36Å; L338-S340 PolarHBondContact O-N 3Å; L338-F498 HydrophobicContact CD2-CD1 3.42Å; L338-F498 VanDerWaalsContact CD2-CD1 3.42Å; L338-F498 HydrophobicContact CD2-CE1 3.42Å; L338-F498 VanDerWaalsContact CD2-CE1 3.42Å; L338-F498 HydrophobicContact CD2-CG 4.03Å; L338-F498 HydrophobicContact CD2-CZ 4.04Å | ||
| 339 | T | 93.7 | Very high | 89.3 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | trans | -65.3 | 121.8 | -176.4 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | Y259 D260 Q317 S337 | Y259-T339 HydrophobicContact CD1-CG2 4.19Å; Y259-T339 HydrophobicContact CE1-CG2 4.35Å; D260-T339 PolarHBondContact O-OG1 2.96Å; D260-T339 VanDerWaalsContact OD1-CB 3.29Å; D260-T339 WeakPolarHBondContact OD1-CB 3.42Å; D260-T339 PolarHBondContact OD1-OG1 2.96Å; Q317-T339 PolarHBondContact NE2-O 2.79Å; S337-T339 VanDerWaalsContact C-N 3.33Å; S337-T339 WeakPolarHBondContact OG-CB 3.41Å; S337-T339 PolarHBondContact OG-N 3.02Å; S337-T339 VanDerWaalsContact OG-N 3.1Å; S337-T339 PolarHBondContact OG-OG1 2.84Å; S337-T339 VanDerWaalsContact OG-OG1 3.06Å | ||
| 340 | S | 95.6 | Very high | 89.4 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | trans | -74.5 | 125.7 | 175.8 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | V264 G316 L338 | V264-S340 WeakPolarHBondContact CG1-O 3.49Å; V264-S340 PolarHBondContact N-O 3.4Å; G316-S340 CarbonylContact O-C 3.57Å; G316-S340 WeakPolarHBondContact O-CA 3.15Å; L338-S340 PolarHBondContact O-N 3Å | ||
| 341 | T | 97.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -99.1 | -8.5 | 169.9 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | Y259 G316 Q317 Y318 Y321 G364 K365 Y502 | Y259-T341 HydrophobicContact CE1-CG2 4.23Å; G316-T341 PolarHBondContact O-N 2.84Å; Q317-T341 VanDerWaalsContact CA-OG1 3.25Å; Q317-T341 WeakPolarHBondContact CA-OG1 3.18Å; Q317-T341 HydrophobicContact CG-CG2 4.19Å; Y318-T341 HydrophobicContact CD1-CG2 3.74Å; Y318-T341 VanDerWaalsContact CD1-OG1 3.3Å; Y318-T341 WeakPolarHBondContact CD1-OG1 3.27Å; Y318-T341 HydrophobicContact CE1-CG2 3.6Å; Y318-T341 PolarHBondContact N-OG1 2.81Å; Y321-T341 HydrophobicContact CD1-CG2 4.45Å; Y321-T341 HydrophobicContact CD2-CG2 3.57Å; Y321-T341 HydrophobicContact CE2-CG2 3.83Å; Y321-T341 HydrophobicContact CG-CG2 3.9Å; T341-G364 CarbonylContact O-C 3.45Å; T341-G364 WeakPolarHBondContact O-CA 3.26Å; T341-K365 PolarHBondContact O-N 3.2Å; T341-Y502 PolarHBondContact OG1-OH 2.94Å |
| 342 | F | 97.9 | Very high | 90.1 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.8 | 170.5 | 170.9 | -90.2 | 0 | 0 | 0 | 109.7 | V314 V315 G316 A344 V362 S363 L367 Y502 L512 F523 | V314-F342 HydrophobicContact CG2-CE1 4.46Å; V315-F342 CarbonylContact C-O 3.54Å; V315-F342 WeakPolarHBondContact CA-O 3.32Å; G316-F342 PolarHBondContact N-O 3.47Å; G316-F342 PolarHBondContact O-N 2.89Å; F342-A344 HydrophobicContact CE1-CB 4.22Å; F342-A344 HydrophobicContact CZ-CB 4.08Å; F342-V362 HydrophobicContact CE2-CG1 3.7Å; F342-V362 HydrophobicContact CZ-CG1 3.99Å; F342-S363 CarbonylContact C-O 3.55Å; F342-S363 WeakPolarHBondContact CA-O 3.32Å; F342-L367 HydrophobicContact CD2-CD1 4.27Å; F342-L367 HydrophobicContact CD2-CD2 4.18Å; F342-Y502 HydrophobicContact CB-CE1 3.71Å; F342-L512 HydrophobicContact CD1-CD2 3.95Å; F342-L512 HydrophobicContact CD2-CD1 3.89Å; F342-L512 HydrophobicContact CE1-CB 4.29Å; F342-L512 HydrophobicContact CE1-CD2 4.11Å; F342-L512 HydrophobicContact CE2-CB 4.26Å; F342-L512 HydrophobicContact CE2-CD1 4.08Å; F342-L512 HydrophobicContact CG-CD1 4.12Å; F342-L512 HydrophobicContact CG-CD2 4.29Å; F342-L512 HydrophobicContact CZ-CB 3.97Å; F342-L512 HydrophobicContact CZ-CD1 4.48Å; F342-F523 AromaticContact CE1-CE1 3.98Å; F342-F523 HydrophobicContact CE1-CE1 3.98Å; F342-F523 HydrophobicContact CE1-CZ 4.37Å |
| 343 | A | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 138.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V264 I265 L269 V314 V315 V362 S363 | V264-A343 HydrophobicContact CG1-CB 3.61Å; I265-A343 HydrophobicContact CD1-CB 4.4Å; I265-A343 HydrophobicContact CG1-CB 3.84Å; L269-A343 HydrophobicContact CD2-CB 3.99Å; V314-A343 WeakPolarHBondContact O-CA 3.42Å; V315-A343 HydrophobicContact CG1-CB 4.19Å; A343-V362 WeakPolarHBondContact O-CA 3.32Å; A343-S363 PolarHBondContact N-O 3.02Å; A343-S363 PolarHBondContact O-N 3.43Å |
| 344 | A | 98.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | A313 V314 F342 L361 V362 V514 I521 | A313-A344 WeakPolarHBondContact CA-O 3.48Å; V314-A344 HydrophobicContact CG2-CB 3.78Å; V314-A344 PolarHBondContact N-O 2.94Å; V314-A344 PolarHBondContact O-N 2.85Å; F342-A344 HydrophobicContact CE1-CB 4.22Å; F342-A344 HydrophobicContact CZ-CB 4.08Å; A344-L361 CarbonylContact C-O 3.59Å; A344-L361 WeakPolarHBondContact CA-O 3.43Å; A344-V362 HydrophobicContact CB-CG1 4.25Å; A344-V362 HydrophobicContact CB-CG2 3.95Å; A344-V514 HydrophobicContact CB-CG1 4.16Å; A344-I521 HydrophobicContact CB-CD1 3.93Å |
| 345 | V | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.6 | -173.7 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | L269 L308 Q312 A313 L361 W487 L490 | L269-V345 HydrophobicContact CD2-CB 4.07Å; L269-V345 HydrophobicContact CD2-CG2 3.48Å; L269-V345 VanDerWaalsContact CD2-CG2 3.48Å; L308-V345 HydrophobicContact CD1-CG1 4.02Å; L308-V345 HydrophobicContact CD2-CG1 4.17Å; Q312-V345 CarbonylContact O-C 3.59Å; Q312-V345 WeakPolarHBondContact O-CA 3.21Å; A313-V345 HydrophobicContact CB-CG2 3.9Å; V345-L361 HydrophobicContact CB-CB 4.44Å; V345-L361 PolarHBondContact N-O 3.25Å; V345-L361 PolarHBondContact O-N 2.83Å; V345-W487 HydrophobicContact CB-CH2 4.23Å; V345-W487 HydrophobicContact CB-CZ3 4.27Å; V345-W487 HydrophobicContact CG1-CH2 3.98Å; V345-W487 HydrophobicContact CG1-CZ3 3.94Å; V345-W487 HydrophobicContact CG2-CH2 4.42Å; V345-W487 HydrophobicContact CG2-CZ3 4.06Å; V345-L490 HydrophobicContact CG1-CD2 3.95Å; V345-L490 HydrophobicContact CG2-CD2 3.92Å |
| 346 | L | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.9 | 178.8 | 177.7 | 64 | 0 | 0 | 0 | 109.6 | Q312 P358 L516 I521 | Q312-L346 PolarHBondContact O-N 2.82Å; L346-P358 HydrophobicContact CD1-CB 3.5Å; L346-P358 VanDerWaalsContact CD1-CB 3.5Å; L346-L516 HydrophobicContact CD1-CD1 4.27Å; L346-L516 HydrophobicContact CD1-CD2 4.32Å; L346-L516 HydrophobicContact CD2-CD2 4.21Å; L346-I521 HydrophobicContact CB-CB 3.96Å; L346-I521 HydrophobicContact CB-CD1 4.39Å; L346-I521 HydrophobicContact CB-CG2 4.07Å; L346-I521 HydrophobicContact CD2-CB 4.27Å |
| 347 | A | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 153.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M305 L308 V359 L361 | M305-A347 HydrophobicContact CE-CB 3.73Å; L308-A347 HydrophobicContact CD2-CB 4.26Å; A347-V359 HydrophobicContact CB-CB 4.25Å; A347-V359 PolarHBondContact N-O 2.99Å; A347-V359 PolarHBondContact O-N 3.35Å; A347-L361 HydrophobicContact CB-CD1 4.24Å |
| 348 | H | 97.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | trans | -135 | 143.3 | 172 | -71.5 | 81.3 | 0 | 0 | 0 | 108.6 | L306 | L306-H348 HydrophobicContact CB-CB 4.4Å; L306-H348 HydrophobicContact CD1-CB 3.85Å; L306-H348 HydrophobicContact CG-CB 4.25Å; L306-H348 PolarHBondContact N-O 3.15Å | ||
| 349 | I | 96.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -110.8 | 124.4 | 179.6 | -57 | 167.9 | 0 | 0 | 0 | 107.7 | M277 T281 V301 M305 D351 V359 | M277-I349 HydrophobicContact SD-CD1 4.44Å; T281-I349 HydrophobicContact CG2-CD1 3.62Å; V301-I349 HydrophobicContact CG1-CD1 4.04Å; M305-I349 HydrophobicContact CG-CG1 4.5Å; I349-D351 HydrophobicContact CG2-CB 3.85Å; I349-D351 PolarHBondContact O-N 3.33Å; I349-V359 HydrophobicContact CD1-CG2 4.36Å |
| 350 | E | 93.1 | Very high | 96.4 | Very high | 149 Ų | 149 | 30.7 Ų | 30.7 | 70% | 0.696 | 18% | 0.181 | S | C | * | . | trans | -80.4 | 60.9 | 175.2 | -165.8 | 167.7 | -138 | 0 | 0 | 110.5 | S304 L306 | S304-E350 WeakPolarHBondContact O-CB 3.01Å; S304-E350 PolarHBondContact O-N 3.48Å; L306-E350 HydrophobicContact CD2-CB 3.93Å; L306-E350 HydrophobicContact CD2-CG 4.42Å; L306-E350 HydrophobicContact CG-CB 4.46Å | ||
| 351 | D | 92.8 | Very high | 96.5 | Very high | 68 Ų | 68 | 30 Ų | 30 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -127.5 | 140.2 | 174 | -177.6 | -76.6 | 0 | 0 | 0 | 108.9 | I349 Q353 Y354 E355 | I349-D351 HydrophobicContact CG2-CB 3.85Å; I349-D351 PolarHBondContact O-N 3.33Å; D351-Q353 PolarHBondContact O-N 3.43Å; D351-Q353 VanDerWaalsContact O-N 3.08Å; D351-Q353 WeakPolarHBondContact OD1-CA 3.04Å; D351-Q353 WeakPolarHBondContact OD1-CB 3.42Å; D351-Q353 PolarHBondContact OD1-N 3.4Å; D351-Y354 HydrophobicContact CB-CD2 4.4Å; D351-Y354 CarbonylContact O-C 3.58Å; D351-Y354 PolarHBondContact O-N 3.2Å; D351-E355 PolarHBondContact O-N 2.77Å |
| 352 | A | 92.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 30.9 Ų | 30.9 | 65% | 0.645 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R236 | R236-A352 WeakPolarHBondContact CD-O 3.32Š|
| 353 | Q | 94.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 30.5 Ų | 30.5 | 30% | 0.304 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28.9 | 176.3 | -170.9 | 170.1 | 9.8 | 0 | 0 | 112.7 | W234 N235 R236 D351 | W234-Q353 WeakPolarHBondContact O-CG 3.34Å; W234-Q353 PolarHBondContact O-NE2 3.21Å; N235-Q353 CarbonylContact C-O 3.47Å; N235-Q353 WeakPolarHBondContact CA-O 3.33Å; N235-Q353 HydrophobicContact CB-CG 4.24Å; R236-Q353 PolarHBondContact N-O 3.09Å; D351-Q353 PolarHBondContact O-N 3.43Å; D351-Q353 VanDerWaalsContact O-N 3.08Å; D351-Q353 WeakPolarHBondContact OD1-CA 3.04Å; D351-Q353 WeakPolarHBondContact OD1-CB 3.42Å; D351-Q353 PolarHBondContact OD1-N 3.4Å |
| 354 | Y | 96.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 4.7 | -172.8 | -58.9 | -70.7 | 0 | 0 | 0 | 114.4 | W234 I239 I242 T281 D351 G356 V357 | W234-Y354 PolarHBondContact NE1-OH 3.03Å; W234-Y354 VanDerWaalsContact NE1-OH 3.08Å; I239-Y354 HydrophobicContact CD1-CE1 4.2Å; I242-Y354 HydrophobicContact CD1-CD1 4.43Å; I242-Y354 HydrophobicContact CD1-CE1 4.33Å; T281-Y354 HydrophobicContact CG2-CE1 4.41Å; T281-Y354 WeakPolarHBondContact O-CE2 3.46Å; T281-Y354 PolarHBondContact O-OH 2.66Å; D351-Y354 HydrophobicContact CB-CD2 4.4Å; D351-Y354 CarbonylContact O-C 3.58Å; D351-Y354 PolarHBondContact O-N 3.2Å; Y354-G356 PolarHBondContact O-N 3.37Å; Y354-G356 VanDerWaalsContact O-N 3.16Å; Y354-V357 VanDerWaalsContact O-CB 3.31Å; Y354-V357 WeakPolarHBondContact O-CB 3.34Å; Y354-V357 PolarHBondContact O-N 2.78Å |
| 355 | E | 93.1 | Very high | 96.5 | Very high | 120 Ų | 120 | 31.1 Ų | 31.1 | 56% | 0.561 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 123.7 | 179.8 | -171.1 | -175.8 | -179.3 | 0 | 0 | 111.3 | R236 D351 V357 | R236-E355 WeakPolarHBondContact CB-O 3.41Å; R236-E355 IonicContact CZ-OE2 2.78Å; R236-E355 IonicContact NH1-OE2 3.03Å; R236-E355 PolarHBondContact NH1-OE2 2.96Å; D351-E355 PolarHBondContact O-N 2.77Å; E355-V357 PolarHBondContact O-N 3.35Å |
| 356 | G | 92.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 33 Ų | 33 | 66% | 0.66 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -2.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y354 P358 | Y354-G356 PolarHBondContact O-N 3.37Å; Y354-G356 VanDerWaalsContact O-N 3.16Å; G356-P358 WeakPolarHBondContact O-CD 3.33Å |
| 357 | V | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | trans | -82.3 | 118.8 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | R236 I239 I242 Y354 E355 | R236-V357 HydrophobicContact CB-CG2 3.75Å; I239-V357 HydrophobicContact CB-CG1 4.43Å; I239-V357 HydrophobicContact CG2-CG1 3.64Å; I242-V357 HydrophobicContact CG1-CG1 4.4Å; Y354-V357 VanDerWaalsContact O-CB 3.31Å; Y354-V357 WeakPolarHBondContact O-CB 3.34Å; Y354-V357 PolarHBondContact O-N 2.78Å; E355-V357 PolarHBondContact O-N 3.35Å | ||
| 358 | P | 97.9 | Very high | 96 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 16% | 0.156 | 22% | 0.215 | C | C | . | . | trans | -74.2 | 135.3 | 175.8 | 29.3 | -32.2 | 0 | 0 | 0 | 111 | E240 R241 I242 L346 G356 L516 | E240-P358 WeakPolarHBondContact O-CD 3.3Å; R241-P358 HydrophobicContact CB-CG 3.69Å; I242-P358 PolarHBondContact N-O 3.03Å; L346-P358 HydrophobicContact CD1-CB 3.5Å; L346-P358 VanDerWaalsContact CD1-CB 3.5Å; G356-P358 WeakPolarHBondContact O-CD 3.33Å; P358-L516 HydrophobicContact CB-CD1 4.24Å; P358-L516 HydrophobicContact CG-CD1 4.43Å | ||
| 359 | V | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 109.3 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | I242 I244 M277 A347 I349 | I242-V359 HydrophobicContact CB-CG1 4.25Å; I242-V359 HydrophobicContact CB-CG2 4.26Å; I242-V359 HydrophobicContact CD1-CG2 4.36Å; I242-V359 HydrophobicContact CG2-CG1 4.21Å; I242-V359 CarbonylContact O-C 3.54Å; I242-V359 WeakPolarHBondContact O-CA 3.43Å; I244-V359 HydrophobicContact CD1-CG1 4.46Å; M277-V359 HydrophobicContact CG-CG1 3.78Å; A347-V359 HydrophobicContact CB-CB 4.25Å; A347-V359 PolarHBondContact N-O 2.99Å; A347-V359 PolarHBondContact O-N 3.35Å; I349-V359 HydrophobicContact CD1-CG2 4.36Å |
| 360 | L | 98.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.4 | -176.5 | -170.1 | 69.5 | 0 | 0 | 0 | 110.7 | I242 E243 I244 V362 V514 L516 I521 | I242-L360 PolarHBondContact O-N 3.44Å; E243-L360 CarbonylContact C-O 3.59Å; E243-L360 WeakPolarHBondContact CA-O 3.36Å; E243-L360 HydrophobicContact CG-CB 4.39Å; I244-L360 PolarHBondContact N-O 2.82Å; L360-V362 HydrophobicContact CD1-CG2 4.35Å; L360-V362 HydrophobicContact CD2-CG2 3.79Å; L360-V362 HydrophobicContact CG-CG2 3.66Å; L360-V514 HydrophobicContact CD2-CG2 4.32Å; L360-L516 HydrophobicContact CD1-CD2 4.42Å; L360-I521 HydrophobicContact CD1-CD1 3.56Å |
| 361 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.6 | 177.1 | -63.5 | 150.7 | 0 | 0 | 0 | 108.1 | I244 L273 M277 A344 V345 A347 W487 | I244-L361 HydrophobicContact CB-CD2 4.1Å; I244-L361 HydrophobicContact CD1-CD2 3.85Å; I244-L361 HydrophobicContact CG2-CD2 4.44Å; I244-L361 CarbonylContact O-C 3.54Å; I244-L361 WeakPolarHBondContact O-CA 3.37Å; L273-L361 HydrophobicContact CB-CD2 3.53Å; M277-L361 HydrophobicContact CB-CD2 4.3Å; M277-L361 HydrophobicContact CE-CD1 4.24Å; A344-L361 CarbonylContact C-O 3.59Å; A344-L361 WeakPolarHBondContact CA-O 3.43Å; V345-L361 HydrophobicContact CB-CB 4.44Å; V345-L361 PolarHBondContact N-O 3.25Å; V345-L361 PolarHBondContact O-N 2.83Å; A347-L361 HydrophobicContact CB-CD1 4.24Å; L361-W487 HydrophobicContact CD1-CH2 3.84Å; L361-W487 HydrophobicContact CD1-CZ2 3.85Å |
| 362 | V | 98.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.9 | -175 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | I244 V245 L246 L273 F342 A343 A344 L360 | I244-V362 PolarHBondContact O-N 2.86Å; V245-V362 CarbonylContact C-O 3.58Å; V245-V362 WeakPolarHBondContact CA-O 3.37Å; V245-V362 HydrophobicContact CG1-CB 4.34Å; V245-V362 HydrophobicContact CG2-CB 4.1Å; V245-V362 HydrophobicContact CG2-CG2 4.23Å; L246-V362 PolarHBondContact N-O 3.32Å; L273-V362 WeakPolarHBondContact CD1-O 3.38Å; F342-V362 HydrophobicContact CE2-CG1 3.7Å; F342-V362 HydrophobicContact CZ-CG1 3.99Å; A343-V362 WeakPolarHBondContact O-CA 3.32Å; A344-V362 HydrophobicContact CB-CG1 4.25Å; A344-V362 HydrophobicContact CB-CG2 3.95Å; L360-V362 HydrophobicContact CD1-CG2 4.35Å; L360-V362 HydrophobicContact CD2-CG2 3.79Å; L360-V362 HydrophobicContact CG-CG2 3.66Å |
| 363 | S | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152.1 | 164.4 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | L246 V268 L269 F342 A343 | L246-S363 WeakPolarHBondContact O-CA 3.48Å; L246-S363 WeakPolarHBondContact O-CB 3.47Å; L246-S363 PolarHBondContact O-OG 2.92Å; V268-S363 WeakPolarHBondContact CG1-OG 3.43Å; L269-S363 VanDerWaalsContact CD1-CB 3.46Å; F342-S363 CarbonylContact C-O 3.55Å; F342-S363 WeakPolarHBondContact CA-O 3.32Å; A343-S363 PolarHBondContact N-O 3.02Å; A343-S363 PolarHBondContact O-N 3.43Å |
| 364 | G | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 164.8 | 167 | 0 | 0 | 0 | 0 | 0 | 114.8 | L246 E248 T341 | L246-G364 PolarHBondContact O-N 3.36Å; E248-G364 PolarHBondContact N-O 3.05Å; T341-G364 CarbonylContact O-C 3.45Å; T341-G364 WeakPolarHBondContact O-CA 3.26Å |
| 365 | K | 96.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 27.5 Ų | 27.5 | 7% | 0.065 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -97.1 | 162.6 | 174.7 | -58.4 | -63.1 | -170.5 | -165 | 0 | 110.8 | E248 L250 V252 D267 Y318 T341 L367 Y502 | E248-K365 HydrophobicContact CB-CD 4.19Å; E248-K365 CarbonylContact O-C 3.54Å; E248-K365 IonicContact OE1-NZ 3.09Å; E248-K365 PolarHBondContact OE1-NZ 2.9Å; E248-K365 IonicContact OE2-NZ 2.9Å; E248-K365 PolarHBondContact OE2-NZ 3.22Å; L250-K365 WeakPolarHBondContact O-CB 3.41Å; V252-K365 HydrophobicContact CG2-CB 4.34Å; V252-K365 HydrophobicContact CG2-CG 3.84Å; D267-K365 IonicContact OD2-NZ 3.11Å; Y318-K365 HydrophobicContact CD1-CB 4.35Å; Y318-K365 HydrophobicContact CE1-CB 4.15Å; T341-K365 PolarHBondContact O-N 3.2Å; K365-L367 PolarHBondContact O-N 2.93Å; K365-Y502 WeakPolarHBondContact O-CE2 3.29Å; K365-Y502 PolarHBondContact O-OH 2.76Å |
| 366 | M | 95.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 21.8 Ų | 21.8 | 19% | 0.192 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 49.5 | 43.4 | -179.4 | -69.8 | -65 | -75.8 | 0 | 0 | 112.6 | E248 L250 D251 Y318 Y502 G504 G505 N508 | E248-M366 PolarHBondContact O-N 2.99Å; L250-M366 PolarHBondContact O-N 3.04Å; L250-M366 VanDerWaalsContact O-N 3.11Å; D251-M366 HydrophobicContact CB-CG 3.91Å; D251-M366 HydrophobicContact CB-SD 3.81Å; Y318-M366 HydrophobicContact CD1-CB 3.95Å; Y318-M366 HydrophobicContact CD1-CG 3.84Å; Y318-M366 HydrophobicContact CD2-CG 4.02Å; Y318-M366 HydrophobicContact CE1-CG 4.05Å; Y318-M366 HydrophobicContact CE2-CG 4.23Å; Y318-M366 HydrophobicContact CG-CB 3.91Å; Y318-M366 HydrophobicContact CG-CG 3.82Å; M366-Y502 HydrophobicContact CB-CE2 4.3Å; M366-G504 CarbonylContact O-C 3.55Å; M366-G504 WeakPolarHBondContact O-CA 3.29Å; M366-G505 PolarHBondContact O-N 2.95Å; M366-N508 PolarHBondContact O-ND2 3.04Å |
| 367 | L | 96.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | trans | -92 | 171.6 | 174.3 | -58.8 | -174.6 | 0 | 0 | 0 | 111.1 | K247 E248 F342 K365 E369 Y502 L512 | K247-L367 HydrophobicContact CB-CB 4.23Å; K247-L367 HydrophobicContact CB-CD1 3.74Å; K247-L367 HydrophobicContact CG-CD1 3.65Å; E248-L367 PolarHBondContact O-N 3.44Å; F342-L367 HydrophobicContact CD2-CD1 4.27Å; F342-L367 HydrophobicContact CD2-CD2 4.18Å; K365-L367 PolarHBondContact O-N 2.93Å; L367-E369 VanDerWaalsContact C-N 3.26Å; L367-E369 PolarHBondContact O-N 3.42Å; L367-Y502 HydrophobicContact CD2-CE2 4.07Å; L367-L512 HydrophobicContact CD2-CD1 3.56Å | ||
| 368 | D | 92.4 | Very high | 97.1 | Very high | 85 Ų | 85 | 19.4 Ų | 19.4 | 46% | 0.455 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -62.7 | -28.4 | -176.8 | 56.3 | -54.9 | 0 | 0 | 0 | 113.7 | K247 G505 | K247-D368 WeakPolarHBondContact CE-OD1 3.33Å; K247-D368 IonicContact NZ-OD1 3.15Å; K247-D368 PolarHBondContact NZ-OD1 3.33Å; K247-D368 IonicContact NZ-OD2 2.74Å; K247-D368 PolarHBondContact NZ-OD2 3.46Å; D368-G505 WeakPolarHBondContact CA-O 3.26Å; D368-G505 PolarHBondContact N-O 3.36Å |
| 369 | E | 93.8 | Very high | 97 | Very high | 72 Ų | 72 | 22 Ų | 22 | 34% | 0.336 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -148.7 | 163 | 177.7 | 68.2 | -178.9 | 149.7 | 0 | 0 | 111.5 | K247 L367 V371 | K247-E369 VanDerWaalsContact CB-O 3.3Å; K247-E369 WeakPolarHBondContact CB-O 3.34Å; K247-E369 HydrophobicContact CD-CG 4.38Å; K247-E369 IonicContact NZ-OE1 3.09Å; K247-E369 PolarHBondContact NZ-OE1 3.18Å; L367-E369 VanDerWaalsContact C-N 3.26Å; L367-E369 PolarHBondContact O-N 3.42Å; E369-V371 HydrophobicContact CG-CB 4.29Å; E369-V371 HydrophobicContact CG-CG1 3.82Å |
| 370 | S | 95.1 | Very high | 96.5 | Very high | 40 Ų | 40 | 24.1 Ų | 24.1 | 28% | 0.28 | 12% | 0.121 | S | C | . | . | trans | -99.8 | 112.3 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | K247 H404 G405 | K247-S370 WeakPolarHBondContact O-CA 3.4Å; S370-H404 WeakPolarHBondContact O-CB 3.46Å; S370-G405 WeakPolarHBondContact O-CA 3.15Å; S370-G405 PolarHBondContact O-N 3.33Å | ||
| 371 | V | 95.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 141.5 | -179.4 | 69.5 | 0 | 0 | 0 | 0 | 110.3 | K247 E369 Y373 | K247-V371 HydrophobicContact CB-CG1 4.1Å; K247-V371 HydrophobicContact CD-CG1 3.8Å; K247-V371 HydrophobicContact CG-CG1 4.23Å; K247-V371 PolarHBondContact N-O 3.34Å; K247-V371 PolarHBondContact O-N 3.27Å; E369-V371 HydrophobicContact CG-CB 4.29Å; E369-V371 HydrophobicContact CG-CG1 3.82Å; V371-Y373 HydrophobicContact CG1-CE1 4.47Å; V371-Y373 HydrophobicContact CG2-CD1 4.21Å |
| 372 | G | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V245 F402 | V245-G372 CarbonylContact O-C 3.55Å; V245-G372 VanDerWaalsContact O-CA 3.3Å; V245-G372 WeakPolarHBondContact O-CA 3.3Å; G372-F402 VanDerWaalsContact C-CD2 3.44Å; G372-F402 WeakPolarHBondContact O-CB 3.34Å; G372-F402 PolarHBondContact O-N 2.93Å |
| 373 | Y | 98 | Very high | 94.3 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 157.5 | 173.6 | 64.3 | -92.8 | 0 | 0 | 0 | 113.1 | I244 V245 V371 R375 F400 L440 | I244-Y373 WeakPolarHBondContact CA-O 3.41Å; V245-Y373 HydrophobicContact CB-CD1 4.18Å; V245-Y373 HydrophobicContact CB-CD2 4.43Å; V245-Y373 HydrophobicContact CB-CE1 3.7Å; V245-Y373 HydrophobicContact CB-CE2 3.97Å; V245-Y373 HydrophobicContact CG1-CE1 3.89Å; V245-Y373 HydrophobicContact CG2-CE1 4.22Å; V245-Y373 HydrophobicContact CG2-CE2 3.81Å; V245-Y373 WeakPolarHBondContact CG2-OH 3.39Å; V245-Y373 PolarHBondContact N-O 3.09Å; V245-Y373 PolarHBondContact O-N 3.4Å; V371-Y373 HydrophobicContact CG1-CE1 4.47Å; V371-Y373 HydrophobicContact CG2-CD1 4.21Å; Y373-R375 HydrophobicContact CD2-CB 3.89Å; Y373-R375 HydrophobicContact CE2-CB 4.02Å; Y373-F400 CarbonylContact C-O 3.5Å; Y373-F400 VanDerWaalsContact CA-O 3.27Å; Y373-F400 WeakPolarHBondContact CA-O 3.35Å; Y373-L440 HydrophobicContact CD1-CD1 4.43Å; Y373-L440 HydrophobicContact CD1-CD2 4.45Å; Y373-L440 HydrophobicContact CD2-CD1 3.78Å; Y373-L440 HydrophobicContact CE1-CD1 4.43Å; Y373-L440 HydrophobicContact CE1-CD2 3.82Å; Y373-L440 HydrophobicContact CE2-CD1 3.77Å; Y373-L440 HydrophobicContact CE2-CD2 4.15Å; Y373-L440 HydrophobicContact CG-CD1 4.12Å |
| 374 | A | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | E243 I244 V276 L280 V399 F400 F402 | E243-A374 CarbonylContact O-C 3.48Å; E243-A374 WeakPolarHBondContact O-CA 3.25Å; I244-A374 HydrophobicContact CG1-CB 4.25Å; V276-A374 HydrophobicContact CG1-CB 3.66Å; L280-A374 HydrophobicContact CD1-CB 3.81Å; A374-V399 CarbonylContact O-C 3.57Å; A374-V399 WeakPolarHBondContact O-CA 3.46Å; A374-F400 HydrophobicContact CB-CB 4.2Å; A374-F400 PolarHBondContact N-O 3.37Å; A374-F400 PolarHBondContact O-N 3.36Å; A374-F402 HydrophobicContact CB-CE1 4.2Å; A374-F402 HydrophobicContact CB-CZ 3.92Å |
| 375 | R | 98.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 49 Ų | 49 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.4 | -177.9 | 169.3 | 167.2 | 66.9 | 169.2 | 2.2 | 110.7 | I242 E243 Y373 Q397 I398 V399 L440 | I242-R375 WeakPolarHBondContact CA-O 3.41Å; E243-R375 HydrophobicContact CB-CB 4.39Å; E243-R375 PolarHBondContact N-O 2.73Å; E243-R375 PolarHBondContact O-N 3.44Å; E243-R375 IonicContact OE1-CZ 2.63Å; E243-R375 IonicContact OE1-NE 3.32Å; E243-R375 IonicContact OE1-NH2 3.8Å; E243-R375 PolarHBondContact OE1-NH2 2.63Å; E243-R375 IonicContact OE2-CZ 2.66Å; E243-R375 IonicContact OE2-NE 3.57Å; E243-R375 PolarHBondContact OE2-NE 3.38Å; E243-R375 IonicContact OE2-NH2 2.77Å; E243-R375 PolarHBondContact OE2-NH2 3.4Å; Y373-R375 HydrophobicContact CD2-CB 3.89Å; Y373-R375 HydrophobicContact CE2-CB 4.02Å; R375-Q397 HydrophobicContact CG-CB 4.44Å; R375-I398 WeakPolarHBondContact CA-O 3.43Å; R375-V399 HydrophobicContact CB-CG2 4.39Å; R375-V399 HydrophobicContact CG-CG2 4.28Å; R375-L440 HydrophobicContact CB-CD1 4.37Å |
| 376 | V | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.2 | 163.8 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | W234 I239 I242 L280 F378 Q397 I398 | W234-V376 HydrophobicContact CH2-CB 4.27Å; W234-V376 HydrophobicContact CH2-CG1 4.44Å; W234-V376 HydrophobicContact CH2-CG2 3.63Å; W234-V376 HydrophobicContact CZ2-CG2 3.93Å; W234-V376 HydrophobicContact CZ3-CG1 4.42Å; W234-V376 HydrophobicContact CZ3-CG2 4.34Å; I239-V376 HydrophobicContact CD1-CG1 4.02Å; I239-V376 HydrophobicContact CG1-CG1 4Å; I239-V376 HydrophobicContact CG2-CG1 4.09Å; I242-V376 HydrophobicContact CG1-CG2 4.43Å; L280-V376 HydrophobicContact CD2-CG2 4.28Å; V376-F378 HydrophobicContact CB-CE2 4.45Å; V376-F378 HydrophobicContact CG1-CE1 4.39Å; V376-F378 HydrophobicContact CG1-CE2 4.02Å; V376-F378 HydrophobicContact CG1-CZ 3.9Å; V376-Q397 WeakPolarHBondContact O-CA 3.09Å; V376-I398 PolarHBondContact N-O 3.05Å; V376-I398 PolarHBondContact O-N 3.16Å |
| 377 | L | 98.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129 | 177.8 | -176.1 | 68.8 | 0 | 0 | 0 | 109.3 | E240 R241 P395 Q397 | E240-L377 HydrophobicContact CB-CG 4.48Å; E240-L377 PolarHBondContact N-O 2.9Å; R241-L377 HydrophobicContact CG-CB 4.16Å; R241-L377 HydrophobicContact CG-CD2 4.2Å; R241-L377 PolarHBondContact N-O 3.31Å; R241-L377 PolarHBondContact O-N 3.43Å; L377-P395 HydrophobicContact CD1-CB 4.24Å; L377-Q397 HydrophobicContact CD1-CB 4.05Å |
| 378 | F | 97.8 | Very high | 90 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 146.1 | 178.8 | -60.9 | -93.5 | 0 | 0 | 0 | 110.8 | I233 W234 H238 I239 V376 K396 I398 L418 | I233-F378 HydrophobicContact CB-CD1 4.46Å; I233-F378 HydrophobicContact CB-CE1 4.11Å; I233-F378 HydrophobicContact CD1-CD1 4.45Å; I233-F378 HydrophobicContact CD1-CE1 3.82Å; I233-F378 HydrophobicContact CD1-CZ 4.04Å; I233-F378 HydrophobicContact CG1-CE1 3.88Å; I233-F378 HydrophobicContact CG1-CZ 4.42Å; I233-F378 WeakPolarHBondContact O-CE1 3.39Å; W234-F378 HydrophobicContact CE3-CZ 4.2Å; W234-F378 HydrophobicContact CZ3-CZ 4.33Å; H238-F378 HydrophobicContact CB-CD1 4.33Å; H238-F378 CarbonylContact O-C 3.48Å; H238-F378 VanDerWaalsContact O-CA 3.22Å; H238-F378 WeakPolarHBondContact O-CA 3.43Å; H238-F378 WeakPolarHBondContact O-CB 3.45Å; I239-F378 HydrophobicContact CG1-CD1 4.22Å; I239-F378 HydrophobicContact CG1-CE1 4.04Å; V376-F378 HydrophobicContact CB-CE2 4.45Å; V376-F378 HydrophobicContact CG1-CE1 4.39Å; V376-F378 HydrophobicContact CG1-CE2 4.02Å; V376-F378 HydrophobicContact CG1-CZ 3.9Å; F378-K396 HydrophobicContact CB-CB 3.87Å; F378-K396 WeakPolarHBondContact CD2-O 3.44Å; F378-K396 PolarHBondContact N-O 2.97Å; F378-I398 HydrophobicContact CE2-CB 4.47Å; F378-I398 HydrophobicContact CE2-CD1 3.84Å; F378-I398 HydrophobicContact CE2-CG1 3.95Å; F378-I398 HydrophobicContact CZ-CD1 3.93Å; F378-L418 HydrophobicContact CD2-CD1 3.82Å; F378-L418 HydrophobicContact CD2-CD2 4.24Å; F378-L418 HydrophobicContact CE2-CD1 3.82Å; F378-L418 HydrophobicContact CG-CD2 4.43Å |
| 379 | K | 95.4 | Very high | 89 | Confident | 77 Ų | 77 | 68 Ų | 68 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 142.9 | 173.9 | -61.3 | -178.5 | -166.3 | 163.8 | 0 | 110.2 | R236 H237 H238 I239 E240 | R236-K379 PolarHBondContact O-NZ 3.41Å; H237-K379 WeakPolarHBondContact O-CD 3.2Å; H237-K379 PolarHBondContact O-NZ 3.08Å; H238-K379 PolarHBondContact O-N 3.5Å; I239-K379 VanDerWaalsContact O-CE 3.29Å; I239-K379 WeakPolarHBondContact O-CE 3.25Å; E240-K379 HydrophobicContact CB-CG 3.82Å; E240-K379 HydrophobicContact CG-CG 4.4Å |
| 380 | N | 88 | Confident | 88.4 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | trans | -122 | 96.2 | 175 | -161 | 16.9 | 0 | 0 | 0 | 111.2 | V382 H392 C393 K396 | N380-V382 PolarHBondContact O-N 3.46Å; N380-V382 VanDerWaalsContact O-N 3.17Å; N380-V382 WeakPolarHBondContact OD1-CG2 3.32Å; N380-H392 PolarHBondContact ND2-O 3.24Å; N380-H392 PolarHBondContact OD1-O 3.44Å; N380-C393 PolarHBondContact ND2-O 3.23Å; N380-K396 WeakPolarHBondContact OD1-CE 3.26Å; N380-K396 PolarHBondContact OD1-NZ 3.39Å; N380-K396 VanDerWaalsContact OD1-NZ 3.16Å | ||
| 381 | D | 83.7 | Confident | 87.5 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | trans | -82.3 | 18.5 | 179.4 | -54.1 | -42.3 | 0 | 0 | 0 | 113 | ||||
| 382 | V | 84.1 | Confident | 86.8 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | trans | -97.5 | 116 | -177.8 | -178 | 0 | 0 | 0 | 0 | 110.3 | N380 H392 | N380-V382 PolarHBondContact O-N 3.46Å; N380-V382 VanDerWaalsContact O-N 3.17Å; N380-V382 WeakPolarHBondContact OD1-CG2 3.32Å; V382-H392 HydrophobicContact CG1-CB 4.22Å | ||
| 383 | F | 81.8 | Confident | 86.2 | Confident | 180 Ų | 180 | 75.4 Ų | 75.4 | 79% | 0.789 | 38% | 0.384 | S | S | * | . | trans | -94.8 | 107.9 | 174.8 | -62.5 | -84.7 | 0 | 0 | 0 | 110.9 | L385 | F383-L385 PolarHBondContact O-N 2.94Š| ||
| 384 | C | 83 | Confident | 85.7 | Confident | 26 Ų | 26 | 76.6 Ų | 76.6 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | trans | -89.4 | 95.2 | -177.9 | -66 | 0 | 0 | 0 | 0 | 112.1 | H388 C393 | C384-H388 PolarHBondContact O-CE1 3.24Å; C384-H388 PolarHBondContact O-ND1 2.99Å; C384-H388 VanDerWaalsContact O-ND1 3.11Å; C384-C393 HydrophobicContact CB-CB 3.84Å; C384-C393 WeakPolarHBondContact CB-SG 3.26Å; C384-C393 WeakPolarHBondContact SG-CA 3.46Å; C384-C393 WeakPolarHBondContact SG-CB 3.39Å; C384-C393 CovalentContact SG-SG 1.98Å; C384-C393 PolarHBondContact SG-SG 2.92Å | ||
| 385 | L | 84.3 | Confident | 85.4 | Confident | 160 Ų | 160 | 79.1 Ų | 79.1 | 84% | 0.838 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -78.5 | -24.3 | -174.3 | -61.6 | 175.6 | 0 | 0 | 0 | 114.8 | F383 | F383-L385 PolarHBondContact O-N 2.94Š|
| 386 | Q | 79.3 | Confident | 85.3 | Confident | 196 Ų | 196 | 79.8 Ų | 79.8 | 92% | 0.916 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -115.9 | -38.6 | -171.8 | -67.5 | -176.9 | -15 | 0 | 0 | 114 | ||
| 387 | S | 76.6 | Confident | 85.2 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | trans | -135.4 | 106.4 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | N389 N390 C393 | S387-N389 PolarHBondContact O-N 3.41Å; S387-N390 PolarHBondContact O-N 2.78Å; S387-C393 PolarHBondContact O-SG 2.94Å | ||
| 388 | H | 70.6 | Confident | 85.3 | Confident | 148 Ų | 148 | 79.2 Ų | 79.2 | 69% | 0.685 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.2 | 178.3 | -59.3 | -52.9 | 0 | 0 | 0 | 112.9 | C384 C393 | C384-H388 PolarHBondContact O-CE1 3.24Å; C384-H388 PolarHBondContact O-ND1 2.99Å; C384-H388 VanDerWaalsContact O-ND1 3.11Å; H388-C393 WeakPolarHBondContact O-CB 3.37Å |
| 389 | N | 72.5 | Confident | 85.3 | Confident | 138 Ų | 138 | 78.9 Ų | 78.9 | 74% | 0.738 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 2 | 179.2 | -75.6 | -6.6 | 0 | 0 | 0 | 114.2 | S387 | S387-N389 PolarHBondContact O-N 3.41Š|
| 390 | N | 79.9 | Confident | 85.4 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -62.5 | 139.7 | 176.4 | 177.7 | -27.9 | 0 | 0 | 0 | 110.1 | S387 H392 C393 | S387-N390 PolarHBondContact O-N 2.78Å; N390-H392 PolarHBondContact O-N 3.32Å; N390-H392 PolarHBondContact OD1-CD2 3.03Å; N390-H392 PolarHBondContact OD1-N 3.23Å; N390-C393 VanDerWaalsContact CB-SG 3.58Å; N390-C393 VanDerWaalsContact O-CB 3.3Å; N390-C393 WeakPolarHBondContact O-CB 3.33Å; N390-C393 PolarHBondContact O-N 3.42Å; N390-C393 PolarHBondContact O-SG 3.34Å; N390-C393 VanDerWaalsContact O-SG 3.33Å |
| 391 | V | 76.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.418 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31 | -179.7 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | N417 | V391-N417 HydrophobicContact CG1-CB 3.73Å; V391-N417 WeakPolarHBondContact O-CB 3.2Å; V391-N417 PolarHBondContact O-ND2 3.1Å |
| 392 | H | 80.6 | Confident | 86.4 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 50% | 0.495 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -19.2 | 177.1 | -61.7 | -64 | 0 | 0 | 0 | 114.5 | N380 V382 N390 | N380-H392 PolarHBondContact ND2-O 3.24Å; N380-H392 PolarHBondContact OD1-O 3.44Å; V382-H392 HydrophobicContact CG1-CB 4.22Å; N390-H392 PolarHBondContact O-N 3.32Å; N390-H392 PolarHBondContact OD1-CD2 3.03Å; N390-H392 PolarHBondContact OD1-N 3.23Å |
| 393 | C | 84.1 | Confident | 86.5 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.5 | 177.1 | -39.5 | 0 | 0 | 0 | 0 | 112.2 | N380 C384 S387 H388 N390 | N380-C393 PolarHBondContact ND2-O 3.23Å; C384-C393 HydrophobicContact CB-CB 3.84Å; C384-C393 WeakPolarHBondContact CB-SG 3.26Å; C384-C393 WeakPolarHBondContact SG-CA 3.46Å; C384-C393 WeakPolarHBondContact SG-CB 3.39Å; C384-C393 CovalentContact SG-SG 1.98Å; C384-C393 PolarHBondContact SG-SG 2.92Å; S387-C393 PolarHBondContact O-SG 2.94Å; H388-C393 WeakPolarHBondContact O-CB 3.37Å; N390-C393 VanDerWaalsContact CB-SG 3.58Å; N390-C393 VanDerWaalsContact O-CB 3.3Å; N390-C393 WeakPolarHBondContact O-CB 3.33Å; N390-C393 PolarHBondContact O-N 3.42Å; N390-C393 PolarHBondContact O-SG 3.34Å; N390-C393 VanDerWaalsContact O-SG 3.33Å |
| 394 | K | 89.2 | Confident | 86.8 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -68.8 | 144.3 | -177.3 | -67.2 | -172 | -178.4 | -170.6 | 0 | 110.8 | K396 N417 L442 D446 | K394-K396 PolarHBondContact O-N 3.39Å; K394-N417 PolarHBondContact O-ND2 3.33Å; K394-L442 HydrophobicContact CB-CD2 3.78Å; K394-L442 HydrophobicContact CD-CD2 4.11Å; K394-L442 HydrophobicContact CG-CD2 4.17Å; K394-D446 IonicContact NZ-OD1 3.84Å; K394-D446 PolarHBondContact NZ-OD1 2.95Å; K394-D446 IonicContact NZ-OD2 2.86Å; K394-D446 PolarHBondContact NZ-OD2 2.89Å |
| 395 | P | 91.9 | Very high | 87 | Confident | 54 Ų | 54 | 61 Ų | 61 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | trans | -45.1 | 136.7 | 170.8 | -31.1 | 31.5 | 0 | 0 | 0 | 113.2 | L377 S415 L442 | L377-P395 HydrophobicContact CD1-CB 4.24Å; P395-S415 PolarHBondContact O-OG 3Å; P395-L442 HydrophobicContact CG-CD2 4.31Å; P395-L442 WeakPolarHBondContact O-CD1 3.48Å | ||
| 396 | K | 95.6 | Very high | 87 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.8 | 173.9 | -70.6 | 171.1 | -170.2 | 164.6 | 0 | 107.5 | F378 N380 K394 L418 | F378-K396 HydrophobicContact CB-CB 3.87Å; F378-K396 WeakPolarHBondContact CD2-O 3.44Å; F378-K396 PolarHBondContact N-O 2.97Å; N380-K396 WeakPolarHBondContact OD1-CE 3.26Å; N380-K396 PolarHBondContact OD1-NZ 3.39Å; N380-K396 VanDerWaalsContact OD1-NZ 3.16Å; K394-K396 PolarHBondContact O-N 3.39Å; K396-L418 HydrophobicContact CB-CD1 4.3Å; K396-L418 HydrophobicContact CB-CD2 3.91Å; K396-L418 HydrophobicContact CB-CG 3.98Å; K396-L418 HydrophobicContact CD-CD2 4.2Å; K396-L418 HydrophobicContact CG-CD2 4.19Å; K396-L418 HydrophobicContact CG-CG 4.31Å |
| 397 | Q | 97.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151 | -176.4 | 58.1 | -163.6 | -12.9 | 0 | 0 | 113.3 | R375 V376 L377 V399 S415 L440 L442 Y447 | R375-Q397 HydrophobicContact CG-CB 4.44Å; V376-Q397 WeakPolarHBondContact O-CA 3.09Å; L377-Q397 HydrophobicContact CD1-CB 4.05Å; Q397-V399 HydrophobicContact CB-CG2 4.45Å; Q397-V399 HydrophobicContact CG-CG2 4.14Å; Q397-S415 PolarHBondContact N-OG 3.26Å; Q397-S415 PolarHBondContact O-N 3.28Å; Q397-S415 PolarHBondContact O-OG 2.99Å; Q397-L440 PolarHBondContact NE2-O 2.89Å; Q397-L442 HydrophobicContact CG-CD1 4.3Å; Q397-Y447 HydrophobicContact CG-CE1 3.96Å; Q397-Y447 PolarHBondContact NE2-OH 3.4Å |
| 398 | I | 98.6 | Very high | 88 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127 | 166 | -65.4 | 168.1 | 0 | 0 | 0 | 107.1 | F222 L230 W234 R375 V376 F378 F400 L413 V414 L418 F419 | F222-I398 HydrophobicContact CE1-CG2 4.14Å; F222-I398 HydrophobicContact CZ-CG2 4.41Å; L230-I398 HydrophobicContact CD2-CD1 3.72Å; W234-I398 HydrophobicContact CZ3-CD1 3.92Å; R375-I398 WeakPolarHBondContact CA-O 3.43Å; V376-I398 PolarHBondContact N-O 3.05Å; V376-I398 PolarHBondContact O-N 3.16Å; F378-I398 HydrophobicContact CE2-CB 4.47Å; F378-I398 HydrophobicContact CE2-CD1 3.84Å; F378-I398 HydrophobicContact CE2-CG1 3.95Å; F378-I398 HydrophobicContact CZ-CD1 3.93Å; I398-F400 HydrophobicContact CG2-CD2 4.41Å; I398-F400 HydrophobicContact CG2-CE2 3.8Å; I398-F400 HydrophobicContact CG2-CZ 4.1Å; I398-L413 CarbonylContact C-O 3.49Å; I398-L413 WeakPolarHBondContact CA-O 3.5Å; I398-V414 HydrophobicContact CG1-CG1 4.22Å; I398-V414 HydrophobicContact CG1-CG2 4.32Å; I398-L418 HydrophobicContact CG1-CD1 4.03Å; I398-F419 HydrophobicContact CD1-CE1 4.12Å; I398-F419 HydrophobicContact CD1-CZ 4.28Å |
| 399 | V | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.4 | -175 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | A374 R375 Q397 H401 V412 L413 L440 | A374-V399 CarbonylContact O-C 3.57Å; A374-V399 WeakPolarHBondContact O-CA 3.46Å; R375-V399 HydrophobicContact CB-CG2 4.39Å; R375-V399 HydrophobicContact CG-CG2 4.28Å; Q397-V399 HydrophobicContact CB-CG2 4.45Å; Q397-V399 HydrophobicContact CG-CG2 4.14Å; V399-H401 HydrophobicContact CG1-CB 4.47Å; V399-V412 CarbonylContact O-C 3.52Å; V399-V412 WeakPolarHBondContact O-CA 3.41Å; V399-L413 HydrophobicContact CB-CB 4.2Å; V399-L413 HydrophobicContact CB-CD1 3.92Å; V399-L413 HydrophobicContact CG1-CD1 4.03Å; V399-L413 PolarHBondContact N-O 3.37Å; V399-L413 PolarHBondContact O-N 3.34Å; V399-L440 HydrophobicContact CG1-CD1 3.78Å; V399-L440 HydrophobicContact CG2-CD1 3.94Å |
| 400 | F | 98.4 | Very high | 90 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 95.8 | 167.5 | -61.3 | -87 | 0 | 0 | 0 | 107.7 | V215 I219 F222 L280 Y373 A374 I398 F402 V412 | V215-F400 HydrophobicContact CG2-CB 4.05Å; V215-F400 HydrophobicContact CG2-CD1 4.3Å; I219-F400 HydrophobicContact CB-CE1 4.31Å; I219-F400 HydrophobicContact CD1-CG 4.46Å; I219-F400 HydrophobicContact CG1-CB 4.49Å; I219-F400 HydrophobicContact CG1-CD1 3.64Å; I219-F400 HydrophobicContact CG1-CD2 4.29Å; I219-F400 HydrophobicContact CG1-CE1 3.85Å; I219-F400 HydrophobicContact CG1-CE2 4.45Å; I219-F400 HydrophobicContact CG1-CG 3.89Å; I219-F400 HydrophobicContact CG1-CZ 4.25Å; I219-F400 HydrophobicContact CG2-CZ 4.38Å; F222-F400 HydrophobicContact CB-CE1 4.22Å; F222-F400 AromaticContact CD1-CE1 3.98Å; F222-F400 HydrophobicContact CD1-CE1 3.98Å; F222-F400 AromaticContact CD1-CZ 3.65Å; F222-F400 HydrophobicContact CD1-CZ 3.65Å; F222-F400 HydrophobicContact CE1-CZ 4.1Å; F222-F400 HydrophobicContact CG-CE1 4.09Å; F222-F400 HydrophobicContact CG-CZ 4.24Å; L280-F400 HydrophobicContact CD2-CD2 3.91Å; L280-F400 HydrophobicContact CD2-CE2 3.7Å; Y373-F400 CarbonylContact C-O 3.5Å; Y373-F400 VanDerWaalsContact CA-O 3.27Å; Y373-F400 WeakPolarHBondContact CA-O 3.35Å; A374-F400 HydrophobicContact CB-CB 4.2Å; A374-F400 PolarHBondContact N-O 3.37Å; A374-F400 PolarHBondContact O-N 3.36Å; I398-F400 HydrophobicContact CG2-CD2 4.41Å; I398-F400 HydrophobicContact CG2-CE2 3.8Å; I398-F400 HydrophobicContact CG2-CZ 4.1Å; F400-F402 HydrophobicContact CB-CE1 4.37Å; F400-F402 WeakPolarHBondContact O-CD1 3.48Å; F400-F402 WeakPolarHBondContact O-CE1 3.44Å; F400-V412 HydrophobicContact CD1-CG1 4.16Å; F400-V412 HydrophobicContact CD1-CG2 3.85Å; F400-V412 HydrophobicContact CE1-CG1 3.98Å; F400-V412 HydrophobicContact CE1-CG2 4.11Å |
| 401 | H | 97.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.7 | -176.4 | -175.6 | -94 | 0 | 0 | 0 | 110.7 | V399 G403 H404 L407 Y409 P410 A411 L413 | V399-H401 HydrophobicContact CG1-CB 4.47Å; H401-G403 VanDerWaalsContact C-N 3.3Å; H401-G403 PolarHBondContact CE1-O 2.89Å; H401-G403 PolarHBondContact ND1-N 3.22Å; H401-G403 PolarHBondContact O-N 3.01Å; H401-H404 PolarHBondContact CE1-O 3.44Å; H401-H404 PolarHBondContact NE2-O 3.04Å; H401-L407 HydrophobicContact CB-CD2 4.45Å; H401-Y409 PolarHBondContact ND1-O 2.86Å; H401-P410 CarbonylContact O-C 3.48Å; H401-P410 VanDerWaalsContact O-CA 3.25Å; H401-P410 WeakPolarHBondContact O-CA 3.44Å; H401-A411 WeakPolarHBondContact CB-O 3.24Å; H401-A411 PolarHBondContact N-O 2.75Å; H401-A411 PolarHBondContact O-N 3.05Å; H401-L413 HydrophobicContact CB-CD1 3.73Å |
| 402 | F | 94.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -14.7 | -174.3 | -53 | -20.5 | 0 | 0 | 0 | 114 | Y210 K213 V215 V216 V276 G372 A374 F400 | Y210-F402 HydrophobicContact CD1-CD2 4.32Å; Y210-F402 HydrophobicContact CD1-CE2 4.42Å; Y210-F402 AromaticContact CE1-CD2 3.95Å; Y210-F402 HydrophobicContact CE1-CD2 3.95Å; Y210-F402 HydrophobicContact CE1-CE2 4.32Å; K213-F402 HydrophobicContact CD-CB 4.41Å; V215-F402 HydrophobicContact CG1-CD1 3.67Å; V215-F402 HydrophobicContact CG1-CE1 4.48Å; V216-F402 HydrophobicContact CG2-CD1 3.94Å; V216-F402 HydrophobicContact CG2-CE1 3.74Å; V216-F402 HydrophobicContact CG2-CZ 4.26Å; V276-F402 HydrophobicContact CG1-CZ 3.99Å; V276-F402 HydrophobicContact CG2-CZ 3.97Å; G372-F402 VanDerWaalsContact C-CD2 3.44Å; G372-F402 WeakPolarHBondContact O-CB 3.34Å; G372-F402 PolarHBondContact O-N 2.93Å; A374-F402 HydrophobicContact CB-CE1 4.2Å; A374-F402 HydrophobicContact CB-CZ 3.92Å; F400-F402 HydrophobicContact CB-CE1 4.37Å; F400-F402 WeakPolarHBondContact O-CD1 3.48Å; F400-F402 WeakPolarHBondContact O-CE1 3.44Å |
| 403 | G | 86.6 | Confident | 92.7 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 121.3 | 175.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | H401 | H401-G403 VanDerWaalsContact C-N 3.3Å; H401-G403 PolarHBondContact CE1-O 2.89Å; H401-G403 PolarHBondContact ND1-N 3.22Å; H401-G403 PolarHBondContact O-N 3.01Å |
| 404 | H | 87.1 | Confident | 93.3 | Very high | 107 Ų | 107 | 29 Ų | 29 | 50% | 0.495 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.6 | -157.3 | -174.7 | -45.6 | -74.7 | 0 | 0 | 0 | 113.5 | S370 H401 K408 | S370-H404 WeakPolarHBondContact O-CB 3.46Å; H401-H404 PolarHBondContact CE1-O 3.44Å; H401-H404 PolarHBondContact NE2-O 3.04Å; H404-K408 VanDerWaalsContact O-CA 3.31Å; H404-K408 WeakPolarHBondContact O-CA 3.28Å; H404-K408 PolarHBondContact O-N 3.32Å |
| 405 | G | 86.7 | Confident | 93.7 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -152.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S370 K408 | S370-G405 WeakPolarHBondContact O-CA 3.15Å; S370-G405 PolarHBondContact O-N 3.33Å; G405-K408 WeakPolarHBondContact O-CG 3.49Å |
| 406 | S | 85.2 | Confident | 93.8 | Very high | 56 Ų | 56 | 28.8 Ų | 28.8 | 39% | 0.392 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -36.8 | 178.5 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | D438 | S406-D438 PolarHBondContact OG-O 2.88Š|
| 407 | L | 87.9 | Confident | 93.6 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -29.7 | -176.3 | -165.4 | 62.1 | 0 | 0 | 0 | 112.9 | H401 Y409 A411 L413 V439 I444 | H401-L407 HydrophobicContact CB-CD2 4.45Å; L407-Y409 HydrophobicContact CD1-CE1 3.75Å; L407-Y409 HydrophobicContact CD1-CE2 4.13Å; L407-Y409 VanDerWaalsContact CD1-CZ 3.48Å; L407-Y409 WeakPolarHBondContact CD1-OH 3.28Å; L407-Y409 HydrophobicContact CD2-CE2 4.2Å; L407-Y409 HydrophobicContact CG-CD1 4.32Å; L407-Y409 HydrophobicContact CG-CD2 4.35Å; L407-Y409 HydrophobicContact CG-CE1 3.93Å; L407-Y409 HydrophobicContact CG-CE2 3.99Å; L407-Y409 WeakPolarHBondContact O-CD1 3.45Å; L407-Y409 WeakPolarHBondContact O-CE1 3.48Å; L407-Y409 PolarHBondContact O-N 3.44Å; L407-A411 HydrophobicContact CD2-CB 3.78Å; L407-L413 HydrophobicContact CD2-CD1 4.17Å; L407-L413 HydrophobicContact CD2-CD2 4.17Å; L407-V439 HydrophobicContact CB-CG2 4.5Å; L407-I444 HydrophobicContact CD1-CD1 3.86Å; L407-I444 HydrophobicContact CD1-CG1 4.45Å |
| 408 | K | 88.4 | Confident | 93.5 | Very high | 165 Ų | 165 | 30.2 Ų | 30.2 | 72% | 0.717 | 15% | 0.152 | S | C | * | . | B | Isolated β-bridge | trans | 65.6 | -19.6 | 177.1 | -57.3 | -175.6 | 179.2 | -174.3 | 0 | 117.3 | H404 G405 | H404-K408 VanDerWaalsContact O-CA 3.31Å; H404-K408 WeakPolarHBondContact O-CA 3.28Å; H404-K408 PolarHBondContact O-N 3.32Å; G405-K408 WeakPolarHBondContact O-CG 3.49Å |
| 409 | Y | 91.5 | Very high | 93.3 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -120.9 | 156.8 | 178.6 | 58.6 | -94.5 | 0 | 0 | 0 | 111.9 | H401 L407 A411 V449 T451 | H401-Y409 PolarHBondContact ND1-O 2.86Å; L407-Y409 HydrophobicContact CD1-CE1 3.75Å; L407-Y409 HydrophobicContact CD1-CE2 4.13Å; L407-Y409 VanDerWaalsContact CD1-CZ 3.48Å; L407-Y409 WeakPolarHBondContact CD1-OH 3.28Å; L407-Y409 HydrophobicContact CD2-CE2 4.2Å; L407-Y409 HydrophobicContact CG-CD1 4.32Å; L407-Y409 HydrophobicContact CG-CD2 4.35Å; L407-Y409 HydrophobicContact CG-CE1 3.93Å; L407-Y409 HydrophobicContact CG-CE2 3.99Å; L407-Y409 WeakPolarHBondContact O-CD1 3.45Å; L407-Y409 WeakPolarHBondContact O-CE1 3.48Å; L407-Y409 PolarHBondContact O-N 3.44Å; Y409-A411 HydrophobicContact CD2-CB 4.23Å; Y409-A411 HydrophobicContact CE2-CB 4.04Å; Y409-V449 HydrophobicContact CE2-CG1 4.45Å; Y409-T451 WeakPolarHBondContact CD2-OG1 3.15Å |
| 410 | P | 95 | Very high | 93.2 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | trans | -70.9 | 137.1 | 176.1 | 28.9 | -34.7 | 0 | 0 | 0 | 111.4 | V215 H401 T451 P452 E455 | V215-P410 HydrophobicContact CB-CB 4.37Å; V215-P410 HydrophobicContact CG1-CB 4.36Å; H401-P410 CarbonylContact O-C 3.48Å; H401-P410 VanDerWaalsContact O-CA 3.25Å; H401-P410 WeakPolarHBondContact O-CA 3.44Å; P410-T451 PolarHBondContact O-OG1 2.86Å; P410-P452 HydrophobicContact CG-CG 4.04Å; P410-E455 HydrophobicContact CG-CG 4.47Å | ||
| 411 | A | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 154.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H401 L407 Y409 L413 V449 Q450 | H401-A411 WeakPolarHBondContact CB-O 3.24Å; H401-A411 PolarHBondContact N-O 2.75Å; H401-A411 PolarHBondContact O-N 3.05Å; L407-A411 HydrophobicContact CD2-CB 3.78Å; Y409-A411 HydrophobicContact CD2-CB 4.23Å; Y409-A411 HydrophobicContact CE2-CB 4.04Å; A411-L413 HydrophobicContact CB-CD1 4.25Å; A411-L413 HydrophobicContact CB-CG 4.48Å; A411-V449 HydrophobicContact CB-CG1 4.03Å; A411-Q450 CarbonylContact C-O 3.38Å; A411-Q450 WeakPolarHBondContact CA-O 3.42Å; A411-Q450 WeakPolarHBondContact CB-O 3.34Å |
| 412 | V | 97.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.3 | 162.3 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | V215 K218 F222 V399 F400 W428 Q450 | V215-V412 HydrophobicContact CG2-CG2 3.99Å; K218-V412 HydrophobicContact CG-CG2 4.43Å; F222-V412 HydrophobicContact CD2-CG1 3.94Å; F222-V412 HydrophobicContact CE2-CG1 3.7Å; F222-V412 HydrophobicContact CG-CG1 4.5Å; F222-V412 HydrophobicContact CZ-CG1 4.09Å; V399-V412 CarbonylContact O-C 3.52Å; V399-V412 WeakPolarHBondContact O-CA 3.41Å; F400-V412 HydrophobicContact CD1-CG1 4.16Å; F400-V412 HydrophobicContact CD1-CG2 3.85Å; F400-V412 HydrophobicContact CE1-CG1 3.98Å; F400-V412 HydrophobicContact CE1-CG2 4.11Å; V412-W428 HydrophobicContact CG2-CH2 4.3Å; V412-W428 HydrophobicContact CG2-CZ3 4.03Å; V412-Q450 HydrophobicContact CB-CB 4.49Å; V412-Q450 PolarHBondContact N-O 3.28Å; V412-Q450 PolarHBondContact O-N 2.95Å |
| 413 | L | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.5 | 178.4 | -50.5 | 99.4 | 0 | 0 | 0 | 109.8 | I398 V399 H401 L407 A411 V439 I444 Y447 F448 V449 | I398-L413 CarbonylContact C-O 3.49Å; I398-L413 WeakPolarHBondContact CA-O 3.5Å; V399-L413 HydrophobicContact CB-CB 4.2Å; V399-L413 HydrophobicContact CB-CD1 3.92Å; V399-L413 HydrophobicContact CG1-CD1 4.03Å; V399-L413 PolarHBondContact N-O 3.37Å; V399-L413 PolarHBondContact O-N 3.34Å; H401-L413 HydrophobicContact CB-CD1 3.73Å; L407-L413 HydrophobicContact CD2-CD1 4.17Å; L407-L413 HydrophobicContact CD2-CD2 4.17Å; A411-L413 HydrophobicContact CB-CD1 4.25Å; A411-L413 HydrophobicContact CB-CG 4.48Å; L413-V439 HydrophobicContact CD2-CG1 4.38Å; L413-I444 HydrophobicContact CD2-CD1 3.51Å; L413-Y447 HydrophobicContact CB-CD1 3.65Å; L413-Y447 HydrophobicContact CB-CE1 4.11Å; L413-Y447 HydrophobicContact CB-CG 3.94Å; L413-Y447 HydrophobicContact CD2-CD1 4.45Å; L413-Y447 HydrophobicContact CD2-CD2 4.04Å; L413-Y447 HydrophobicContact CD2-CE2 4.39Å; L413-Y447 HydrophobicContact CD2-CG 4.02Å; L413-F448 WeakPolarHBondContact CA-O 3.35Å; L413-V449 HydrophobicContact CD2-CG2 4.11Å |
| 414 | V | 98.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122.5 | 175.5 | -178 | 0 | 0 | 0 | 0 | 108.6 | F222 I398 K416 L418 F419 P421 Y447 F448 | F222-V414 HydrophobicContact CE2-CG2 4.14Å; F222-V414 HydrophobicContact CZ-CG2 3.69Å; I398-V414 HydrophobicContact CG1-CG1 4.22Å; I398-V414 HydrophobicContact CG1-CG2 4.32Å; V414-K416 PolarHBondContact O-N 3.43Å; V414-L418 HydrophobicContact CG1-CB 4.26Å; V414-L418 HydrophobicContact CG1-CD1 4.49Å; V414-F419 HydrophobicContact CG1-CD1 4.47Å; V414-F419 HydrophobicContact CG1-CE1 4.24Å; V414-F419 HydrophobicContact CG1-CZ 4.27Å; V414-F419 WeakPolarHBondContact CG1-O 3.37Å; V414-P421 HydrophobicContact CB-CG 4.2Å; V414-P421 HydrophobicContact CG2-CB 4.07Å; V414-P421 HydrophobicContact CG2-CG 3.89Å; V414-Y447 CarbonylContact O-C 3.57Å; V414-Y447 WeakPolarHBondContact O-CA 3.47Å; V414-F448 PolarHBondContact N-O 3.39Å; V414-F448 PolarHBondContact O-N 3.41Å |
| 415 | S | 96.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 135.8 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | P395 Q397 N417 L418 | P395-S415 PolarHBondContact O-OG 3Å; Q397-S415 PolarHBondContact N-OG 3.26Å; Q397-S415 PolarHBondContact O-N 3.28Å; Q397-S415 PolarHBondContact O-OG 2.99Å; S415-N417 WeakPolarHBondContact CB-OD1 3.44Å; S415-N417 PolarHBondContact O-N 3.16Å; S415-N417 VanDerWaalsContact O-N 3.1Å; S415-L418 WeakPolarHBondContact O-CB 3.34Å; S415-L418 PolarHBondContact O-N 3.06Å |
| 416 | K | 94.4 | Very high | 91 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 43% | 0.426 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.8 | -178.7 | -76.5 | -179.7 | 175.5 | 172 | 0 | 113.9 | V414 L418 S445 D446 Y447 F448 | V414-K416 PolarHBondContact O-N 3.43Å; K416-L418 VanDerWaalsContact C-N 3.31Å; K416-S445 WeakPolarHBondContact CD-O 3.42Å; K416-S445 VanDerWaalsContact CE-O 3.22Å; K416-S445 WeakPolarHBondContact CE-O 3.32Å; K416-S445 PolarHBondContact NZ-O 3.28Å; K416-D446 WeakPolarHBondContact CB-O 3.42Å; K416-D446 WeakPolarHBondContact CG-O 3.49Å; K416-D446 PolarHBondContact N-O 2.95Å; K416-Y447 VanDerWaalsContact CE-O 3.28Å; K416-Y447 WeakPolarHBondContact CE-O 3.48Å; K416-F448 HydrophobicContact CB-CE2 4.11Å; K416-F448 HydrophobicContact CB-CZ 4.42Å; K416-F448 HydrophobicContact CG-CD1 4.37Å; K416-F448 HydrophobicContact CG-CD2 3.96Å; K416-F448 HydrophobicContact CG-CE1 4.16Å; K416-F448 HydrophobicContact CG-CE2 3.76Å; K416-F448 HydrophobicContact CG-CG 4.27Å; K416-F448 HydrophobicContact CG-CZ 3.86Å |
| 417 | N | 92.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.5 | 175 | 67.3 | -2 | 0 | 0 | 0 | 114.3 | V391 K394 S415 | V391-N417 HydrophobicContact CG1-CB 3.73Å; V391-N417 WeakPolarHBondContact O-CB 3.2Å; V391-N417 PolarHBondContact O-ND2 3.1Å; K394-N417 PolarHBondContact O-ND2 3.33Å; S415-N417 WeakPolarHBondContact CB-OD1 3.44Å; S415-N417 PolarHBondContact O-N 3.16Å; S415-N417 VanDerWaalsContact O-N 3.1Å |
| 418 | L | 94.1 | Very high | 91.3 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -81.1 | 171.6 | -78.1 | 173 | 0 | 0 | 0 | 111.5 | I233 F378 K396 I398 V414 S415 K416 | I233-L418 HydrophobicContact CD1-CD2 4.25Å; F378-L418 HydrophobicContact CD2-CD1 3.82Å; F378-L418 HydrophobicContact CD2-CD2 4.24Å; F378-L418 HydrophobicContact CE2-CD1 3.82Å; F378-L418 HydrophobicContact CG-CD2 4.43Å; K396-L418 HydrophobicContact CB-CD1 4.3Å; K396-L418 HydrophobicContact CB-CD2 3.91Å; K396-L418 HydrophobicContact CB-CG 3.98Å; K396-L418 HydrophobicContact CD-CD2 4.2Å; K396-L418 HydrophobicContact CG-CD2 4.19Å; K396-L418 HydrophobicContact CG-CG 4.31Å; I398-L418 HydrophobicContact CG1-CD1 4.03Å; V414-L418 HydrophobicContact CG1-CB 4.26Å; V414-L418 HydrophobicContact CG1-CD1 4.49Å; S415-L418 WeakPolarHBondContact O-CB 3.34Å; S415-L418 PolarHBondContact O-N 3.06Å; K416-L418 VanDerWaalsContact C-N 3.31Å |
| 419 | F | 95.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | trans | -161.1 | 159 | 177.1 | 62.4 | -84.8 | 0 | 0 | 0 | 109.7 | F222 N226 F229 L230 I233 I398 V414 P421 F448 | F222-F419 HydrophobicContact CZ-CZ 4.44Å; N226-F419 HydrophobicContact CB-CE2 3.97Å; N226-F419 HydrophobicContact CB-CZ 4.28Å; F229-F419 HydrophobicContact CB-CB 4.3Å; F229-F419 HydrophobicContact CB-CD1 3.89Å; F229-F419 HydrophobicContact CB-CD2 3.77Å; F229-F419 HydrophobicContact CB-CE1 4.16Å; F229-F419 HydrophobicContact CB-CE2 4.04Å; F229-F419 HydrophobicContact CB-CG 3.71Å; F229-F419 HydrophobicContact CB-CZ 4.24Å; F229-F419 HydrophobicContact CD1-CB 4.05Å; F229-F419 HydrophobicContact CD1-CG 4.34Å; F229-F419 AromaticContact CD2-CD2 3.75Å; F229-F419 HydrophobicContact CD2-CD2 3.75Å; F229-F419 HydrophobicContact CD2-CE2 4.2Å; F229-F419 HydrophobicContact CD2-CG 4.35Å; F229-F419 HydrophobicContact CE2-CD2 4.47Å; F229-F419 HydrophobicContact CG-CB 4.12Å; F229-F419 AromaticContact CG-CD2 3.77Å; F229-F419 HydrophobicContact CG-CD2 3.77Å; F229-F419 HydrophobicContact CG-CE2 4.37Å; F229-F419 AromaticContact CG-CG 3.9Å; F229-F419 HydrophobicContact CG-CG 3.9Å; L230-F419 HydrophobicContact CD2-CE1 3.8Å; L230-F419 HydrophobicContact CD2-CZ 3.77Å; L230-F419 HydrophobicContact CG-CE1 4.47Å; L230-F419 HydrophobicContact CG-CZ 4.12Å; I233-F419 HydrophobicContact CD1-CE1 4.45Å; I398-F419 HydrophobicContact CD1-CE1 4.12Å; I398-F419 HydrophobicContact CD1-CZ 4.28Å; V414-F419 HydrophobicContact CG1-CD1 4.47Å; V414-F419 HydrophobicContact CG1-CE1 4.24Å; V414-F419 HydrophobicContact CG1-CZ 4.27Å; V414-F419 WeakPolarHBondContact CG1-O 3.37Å; F419-P421 HydrophobicContact CE2-CB 4.24Å; F419-P421 WeakPolarHBondContact O-CD 3.5Å; F419-F448 WeakPolarHBondContact O-CD2 3.36Å | ||
| 420 | K | 96.2 | Very high | 91.7 | Very high | 115 Ų | 115 | 49.3 Ų | 49.3 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -79 | 117.5 | 170.1 | -176.2 | 167.6 | 180 | 160.4 | 0 | 109.2 | E430 F448 | K420-E430 WeakPolarHBondContact CE-OE2 3.13Å; K420-E430 IonicContact NZ-OE1 3.14Å; K420-E430 PolarHBondContact NZ-OE1 2.76Å; K420-E430 VanDerWaalsContact NZ-OE1 3.14Å; K420-E430 IonicContact NZ-OE2 2.85Å; K420-E430 PolarHBondContact NZ-OE2 2.98Å; K420-F448 HydrophobicContact CB-CD2 4.3Å; K420-F448 HydrophobicContact CB-CE1 4.2Å; K420-F448 HydrophobicContact CB-CE2 3.84Å; K420-F448 HydrophobicContact CB-CZ 3.79Å; K420-F448 HydrophobicContact CD-CD1 4.34Å; K420-F448 HydrophobicContact CD-CE1 3.98Å; K420-F448 HydrophobicContact CD-CZ 4.37Å; K420-F448 HydrophobicContact CG-CD1 4.08Å; K420-F448 HydrophobicContact CG-CD2 4.48Å; K420-F448 HydrophobicContact CG-CE1 3.95Å; K420-F448 HydrophobicContact CG-CE2 4.34Å; K420-F448 HydrophobicContact CG-CG 4.34Å; K420-F448 HydrophobicContact CG-CZ 4.08Å |
| 421 | P | 96.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 145.2 | -179.6 | 27.3 | -33.8 | 0 | 0 | 0 | 111.5 | F222 N226 V414 F419 F448 | F222-P421 HydrophobicContact CE2-CB 3.82Å; F222-P421 HydrophobicContact CZ-CB 4.31Å; N226-P421 WeakPolarHBondContact OD1-CA 3.34Å; V414-P421 HydrophobicContact CB-CG 4.2Å; V414-P421 HydrophobicContact CG2-CB 4.07Å; V414-P421 HydrophobicContact CG2-CG 3.89Å; F419-P421 HydrophobicContact CE2-CB 4.24Å; F419-P421 WeakPolarHBondContact O-CD 3.5Å; P421-F448 HydrophobicContact CG-CB 3.92Å |
| 422 | V | 93.9 | Very high | 91.1 | Very high | 43 Ų | 43 | 55 Ų | 55 | 26% | 0.261 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 136.4 | 173 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | N226 F229 K424 Q450 | N226-V422 PolarHBondContact OD1-N 3.48Å; F229-V422 HydrophobicContact CE2-CG2 4.35Å; V422-K424 HydrophobicContact CG1-CD 4.15Å; V422-K424 HydrophobicContact CG1-CG 3.78Å; V422-Q450 PolarHBondContact O-NE2 3.47Å; V422-Q450 VanDerWaalsContact O-NE2 3.11Å |
| 423 | L | 88.6 | Confident | 90.5 | Very high | 76 Ų | 76 | 63.2 Ų | 63.2 | 40% | 0.398 | 34% | 0.34 | S | S | . | . | trans | -112.8 | 106.5 | 170.1 | -168.7 | 72.3 | 0 | 0 | 0 | 107.7 | W428 E430 Q450 | L423-W428 HydrophobicContact CD1-CB 3.91Å; L423-E430 HydrophobicContact CD2-CB 4.44Å; L423-Q450 HydrophobicContact CD1-CG 4.13Å | ||
| 424 | K | 78.9 | Confident | 89.7 | Confident | 135 Ų | 135 | 66.1 Ų | 66.1 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | trans | -115.1 | 137.1 | 176.1 | -85.1 | 179.1 | 179.1 | -175.1 | 0 | 110.1 | E225 V422 | E225-K424 HydrophobicContact CG-CD 4.33Å; V422-K424 HydrophobicContact CG1-CD 4.15Å; V422-K424 HydrophobicContact CG1-CG 3.78Å | ||
| 425 | G | 69.7 | Low | 89 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 68% | 0.68 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 84 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 426 | G | 77.7 | Confident | 88.6 | Confident | 67 Ų | 67 | 81 Ų | 81 | 69% | 0.691 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -93.7 | -3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T453 | G426-T453 PolarHBondContact O-OG1 3.01Š|
| 427 | E | 86.1 | Confident | 88.6 | Confident | 121 Ų | 121 | 77.9 Ų | 77.9 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -80.2 | -17.4 | -175.3 | -63.3 | -166.8 | 145.7 | 0 | 0 | 113.9 | P452 T453 | E427-P452 CarbonylContact O-C 3.58Å; E427-P452 WeakPolarHBondContact O-CA 3.32Å; E427-T453 PolarHBondContact O-N 3Å; E427-T453 PolarHBondContact O-OG1 3.2Å |
| 428 | W | 93.6 | Very high | 88.6 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 8% | 0.076 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.6 | 179.7 | -71 | 74.9 | 0 | 0 | 0 | 110 | Q214 V215 K218 V412 L423 Q450 T451 | Q214-W428 HydrophobicContact CB-CZ2 4.34Å; V215-W428 HydrophobicContact CB-CH2 4.21Å; V215-W428 HydrophobicContact CG2-CH2 4.44Å; K218-W428 HydrophobicContact CB-CH2 4.08Å; K218-W428 HydrophobicContact CB-CZ2 3.56Å; K218-W428 HydrophobicContact CD-CZ2 4.29Å; K218-W428 HydrophobicContact CG-CD2 4.42Å; K218-W428 HydrophobicContact CG-CH2 4.14Å; K218-W428 HydrophobicContact CG-CZ2 3.69Å; V412-W428 HydrophobicContact CG2-CH2 4.3Å; V412-W428 HydrophobicContact CG2-CZ3 4.03Å; L423-W428 HydrophobicContact CD1-CB 3.91Å; W428-Q450 HydrophobicContact CE3-CB 4.21Å; W428-T451 WeakPolarHBondContact CA-O 3.35Å |
| 429 | K | 94 | Very high | 88.5 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 45% | 0.452 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.9 | 177.3 | 64.3 | -176.1 | 179.4 | -174 | 0 | 111.4 | Q450 T451 | K429-Q450 WeakPolarHBondContact O-CA 3.34Å; K429-T451 HydrophobicContact CG-CG2 3.9Å; K429-T451 PolarHBondContact N-O 2.92Å; K429-T451 PolarHBondContact O-N 2.84Å |
| 430 | E | 93.6 | Very high | 88.4 | Confident | 67 Ų | 67 | 81 Ų | 81 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 132.4 | 168.8 | -172.7 | 171.3 | -169.4 | 0 | 0 | 108.8 | K420 L423 V449 | K420-E430 WeakPolarHBondContact CE-OE2 3.13Å; K420-E430 IonicContact NZ-OE1 3.14Å; K420-E430 PolarHBondContact NZ-OE1 2.76Å; K420-E430 VanDerWaalsContact NZ-OE1 3.14Å; K420-E430 IonicContact NZ-OE2 2.85Å; K420-E430 PolarHBondContact NZ-OE2 2.98Å; L423-E430 HydrophobicContact CD2-CB 4.44Å; E430-V449 WeakPolarHBondContact CA-O 3.24Å |
| 431 | V | 91.6 | Very high | 88.2 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 16% | 0.158 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.5 | 173 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | E433 H434 V449 T451 | V431-E433 WeakPolarHBondContact CG1-O 3.36Å; V431-H434 PolarHBondContact O-CE1 3.3Å; V431-H434 PolarHBondContact O-NE2 2.82Å; V431-V449 HydrophobicContact CB-CB 4.13Å; V431-V449 HydrophobicContact CB-CG1 4.14Å; V431-V449 HydrophobicContact CG2-CG1 4.05Å; V431-V449 PolarHBondContact N-O 2.78Å; V431-T451 HydrophobicContact CG2-CG2 3.47Å; V431-T451 VanDerWaalsContact CG2-CG2 3.47Å |
| 432 | T | 87.1 | Confident | 88 | Confident | 115 Ų | 115 | 78.8 Ų | 78.8 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | trans | -102.6 | -23 | 179.5 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 433 | E | 85.5 | Confident | 87.9 | Confident | 172 Ų | 172 | 79.1 Ų | 79.1 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -111.8 | 125 | 178.1 | -67.6 | -179.9 | -174 | 0 | 0 | 109.2 | V431 | V431-E433 WeakPolarHBondContact CG1-O 3.36Š|
| 434 | H | 80.9 | Confident | 88.2 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 29% | 0.287 | 42% | 0.421 | S | S | . | . | trans | -122.9 | 146.6 | -174.8 | -49.5 | -76 | 0 | 0 | 0 | 110.7 | V431 I444 | V431-H434 PolarHBondContact O-CE1 3.3Å; V431-H434 PolarHBondContact O-NE2 2.82Å; H434-I444 HydrophobicContact CB-CB 4.45Å; H434-I444 HydrophobicContact CB-CG1 4.08Å; H434-I444 HydrophobicContact CB-CG2 3.5Å | ||
| 435 | K | 83 | Confident | 88.8 | Confident | 174 Ų | 174 | 71.6 Ų | 71.6 | 76% | 0.757 | 41% | 0.411 | S | S | * | . | trans | -73.8 | 143.3 | 161.2 | -65.2 | -177.4 | 179.3 | -179.8 | 0 | 108.1 | V437 I444 | K435-V437 HydrophobicContact CB-CG1 4.32Å; K435-V437 PolarHBondContact O-N 2.91Å; K435-I444 VanDerWaalsContact O-CG2 3.29Å; K435-I444 WeakPolarHBondContact O-CG2 3.37Å | ||
| 436 | D | 88.6 | Confident | 90 | Very high | 140 Ų | 140 | 69.5 Ų | 69.5 | 75% | 0.749 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -64 | 101.1 | 175.8 | -170 | -6.8 | 0 | 0 | 0 | 109.5 | H443 | D436-H443 IonicContact OD1-CD2 3.79Å; D436-H443 PolarHBondContact OD1-CD2 2.96Å; D436-H443 VanDerWaalsContact OD1-CD2 3.28Å; D436-H443 IonicContact OD1-NE2 3.7Å; D436-H443 PolarHBondContact OD1-NE2 2.88Å |
| 437 | V | 93.3 | Very high | 90.8 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | trans | -148.3 | 144.5 | -177.5 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | K435 V439 I444 | K435-V437 HydrophobicContact CB-CG1 4.32Å; K435-V437 PolarHBondContact O-N 2.91Å; V437-V439 HydrophobicContact CG2-CG2 4.38Å; V437-I444 HydrophobicContact CG2-CB 3.88Å; V437-I444 HydrophobicContact CG2-CG1 4.33Å; V437-I444 HydrophobicContact CG2-CG2 4.06Å; V437-I444 WeakPolarHBondContact O-CB 3.47Å; V437-I444 PolarHBondContact O-N 3.31Å | ||
| 438 | D | 92.4 | Very high | 91.3 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139 | 169.3 | -67.5 | -42.8 | 0 | 0 | 0 | 110.9 | S406 L442 H443 | S406-D438 PolarHBondContact OG-O 2.88Å; D438-L442 WeakPolarHBondContact CA-O 3.32Å; D438-H443 WeakPolarHBondContact OD1-CA 3.44Å; D438-H443 WeakPolarHBondContact OD1-CB 3.35Å; D438-H443 IonicContact OD1-CD2 2.75Å; D438-H443 PolarHBondContact OD1-N 2.95Å |
| 439 | V | 93.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 111.5 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | L407 L413 V437 G441 L442 I444 Y447 | L407-V439 HydrophobicContact CB-CG2 4.5Å; L413-V439 HydrophobicContact CD2-CG1 4.38Å; V437-V439 HydrophobicContact CG2-CG2 4.38Å; V439-G441 VanDerWaalsContact C-N 3.34Å; V439-G441 PolarHBondContact O-N 3.16Å; V439-L442 PolarHBondContact N-O 2.98Å; V439-L442 PolarHBondContact O-N 3.29Å; V439-I444 HydrophobicContact CG2-CD1 4.17Å; V439-Y447 HydrophobicContact CB-CE2 4.25Å; V439-Y447 PolarHBondContact O-OH 3.09Å |
| 440 | L | 93.2 | Very high | 91.6 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 47.5 | 174.7 | -59.6 | 179 | 0 | 0 | 0 | 113.7 | Y373 R375 Q397 V399 | Y373-L440 HydrophobicContact CD1-CD1 4.43Å; Y373-L440 HydrophobicContact CD1-CD2 4.45Å; Y373-L440 HydrophobicContact CD2-CD1 3.78Å; Y373-L440 HydrophobicContact CE1-CD1 4.43Å; Y373-L440 HydrophobicContact CE1-CD2 3.82Å; Y373-L440 HydrophobicContact CE2-CD1 3.77Å; Y373-L440 HydrophobicContact CE2-CD2 4.15Å; Y373-L440 HydrophobicContact CG-CD1 4.12Å; R375-L440 HydrophobicContact CB-CD1 4.37Å; Q397-L440 PolarHBondContact NE2-O 2.89Å; V399-L440 HydrophobicContact CG1-CD1 3.78Å; V399-L440 HydrophobicContact CG2-CD1 3.94Å |
| 441 | G | 90.1 | Very high | 91.6 | Very high | 69 Ų | 69 | 54 Ų | 54 | 71% | 0.711 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 6.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V439 | V439-G441 VanDerWaalsContact C-N 3.34Å; V439-G441 PolarHBondContact O-N 3.16Å |
| 442 | L | 92.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.8 | 172.7 | -63.9 | -179.8 | 0 | 0 | 0 | 110.6 | K394 P395 Q397 D438 V439 D446 Y447 | K394-L442 HydrophobicContact CB-CD2 3.78Å; K394-L442 HydrophobicContact CD-CD2 4.11Å; K394-L442 HydrophobicContact CG-CD2 4.17Å; P395-L442 HydrophobicContact CG-CD2 4.31Å; P395-L442 WeakPolarHBondContact O-CD1 3.48Å; Q397-L442 HydrophobicContact CG-CD1 4.3Å; D438-L442 WeakPolarHBondContact CA-O 3.32Å; V439-L442 PolarHBondContact N-O 2.98Å; V439-L442 PolarHBondContact O-N 3.29Å; L442-D446 HydrophobicContact CB-CB 4.37Å; L442-Y447 HydrophobicContact CB-CD2 4.5Å; L442-Y447 HydrophobicContact CB-CE2 3.56Å; L442-Y447 HydrophobicContact CD1-CE1 3.93Å; L442-Y447 HydrophobicContact CD1-CE2 4.24Å; L442-Y447 HydrophobicContact CG-CE2 4.49Å |
| 443 | H | 92.9 | Very high | 91.9 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 143.8 | 170.4 | -176.5 | -98.3 | 0 | 0 | 0 | 110 | D436 D438 S445 D446 | D436-H443 IonicContact OD1-CD2 3.79Å; D436-H443 PolarHBondContact OD1-CD2 2.96Å; D436-H443 VanDerWaalsContact OD1-CD2 3.28Å; D436-H443 IonicContact OD1-NE2 3.7Å; D436-H443 PolarHBondContact OD1-NE2 2.88Å; D438-H443 WeakPolarHBondContact OD1-CA 3.44Å; D438-H443 WeakPolarHBondContact OD1-CB 3.35Å; D438-H443 IonicContact OD1-CD2 2.75Å; D438-H443 PolarHBondContact OD1-N 2.95Å; H443-S445 PolarHBondContact CE1-OG 3.18Å; H443-S445 WeakPolarHBondContact ND1-CB 3.35Å; H443-S445 PolarHBondContact ND1-N 3.48Å; H443-S445 PolarHBondContact ND1-OG 3.49Å; H443-S445 PolarHBondContact O-N 3.37Å; H443-D446 WeakPolarHBondContact O-CB 3.37Å; H443-D446 PolarHBondContact O-N 3.07Å |
| 444 | I | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -56 | -30.3 | -175 | -169 | 62.1 | 0 | 0 | 0 | 113.2 | L407 L413 H434 K435 V437 V439 D446 Y447 V449 | L407-I444 HydrophobicContact CD1-CD1 3.86Å; L407-I444 HydrophobicContact CD1-CG1 4.45Å; L413-I444 HydrophobicContact CD2-CD1 3.51Å; H434-I444 HydrophobicContact CB-CB 4.45Å; H434-I444 HydrophobicContact CB-CG1 4.08Å; H434-I444 HydrophobicContact CB-CG2 3.5Å; K435-I444 VanDerWaalsContact O-CG2 3.29Å; K435-I444 WeakPolarHBondContact O-CG2 3.37Å; V437-I444 HydrophobicContact CG2-CB 3.88Å; V437-I444 HydrophobicContact CG2-CG1 4.33Å; V437-I444 HydrophobicContact CG2-CG2 4.06Å; V437-I444 WeakPolarHBondContact O-CB 3.47Å; V437-I444 PolarHBondContact O-N 3.31Å; V439-I444 HydrophobicContact CG2-CD1 4.17Å; I444-D446 PolarHBondContact O-N 2.99Å; I444-Y447 HydrophobicContact CD1-CD2 4.37Å; I444-Y447 PolarHBondContact O-N 2.63Å; I444-Y447 VanDerWaalsContact O-N 3.13Å; I444-V449 HydrophobicContact CD1-CG2 3.73Å; I444-V449 HydrophobicContact CG1-CG2 4.23Å |
| 445 | S | 92.7 | Very high | 92.4 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -68.4 | -12.8 | 177.5 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | K416 H443 Y447 | K416-S445 WeakPolarHBondContact CD-O 3.42Å; K416-S445 VanDerWaalsContact CE-O 3.22Å; K416-S445 WeakPolarHBondContact CE-O 3.32Å; K416-S445 PolarHBondContact NZ-O 3.28Å; H443-S445 PolarHBondContact CE1-OG 3.18Å; H443-S445 WeakPolarHBondContact ND1-CB 3.35Å; H443-S445 PolarHBondContact ND1-N 3.48Å; H443-S445 PolarHBondContact ND1-OG 3.49Å; H443-S445 PolarHBondContact O-N 3.37Å; S445-Y447 VanDerWaalsContact C-N 3.26Å |
| 446 | D | 93.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -84 | 0.6 | 173.8 | -66.9 | -50.3 | 0 | 0 | 0 | 113 | K394 K416 L442 H443 I444 | K394-D446 IonicContact NZ-OD1 3.84Å; K394-D446 PolarHBondContact NZ-OD1 2.95Å; K394-D446 IonicContact NZ-OD2 2.86Å; K394-D446 PolarHBondContact NZ-OD2 2.89Å; K416-D446 WeakPolarHBondContact CB-O 3.42Å; K416-D446 WeakPolarHBondContact CG-O 3.49Å; K416-D446 PolarHBondContact N-O 2.95Å; L442-D446 HydrophobicContact CB-CB 4.37Å; H443-D446 WeakPolarHBondContact O-CB 3.37Å; H443-D446 PolarHBondContact O-N 3.07Å; I444-D446 PolarHBondContact O-N 2.99Å |
| 447 | Y | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 151.5 | 177.3 | -62.4 | -82.1 | 0 | 0 | 0 | 112.8 | Q397 L413 V414 K416 V439 L442 I444 S445 | Q397-Y447 HydrophobicContact CG-CE1 3.96Å; Q397-Y447 PolarHBondContact NE2-OH 3.4Å; L413-Y447 HydrophobicContact CB-CD1 3.65Å; L413-Y447 HydrophobicContact CB-CE1 4.11Å; L413-Y447 HydrophobicContact CB-CG 3.94Å; L413-Y447 HydrophobicContact CD2-CD1 4.45Å; L413-Y447 HydrophobicContact CD2-CD2 4.04Å; L413-Y447 HydrophobicContact CD2-CE2 4.39Å; L413-Y447 HydrophobicContact CD2-CG 4.02Å; V414-Y447 CarbonylContact O-C 3.57Å; V414-Y447 WeakPolarHBondContact O-CA 3.47Å; K416-Y447 VanDerWaalsContact CE-O 3.28Å; K416-Y447 WeakPolarHBondContact CE-O 3.48Å; V439-Y447 HydrophobicContact CB-CE2 4.25Å; V439-Y447 PolarHBondContact O-OH 3.09Å; L442-Y447 HydrophobicContact CB-CD2 4.5Å; L442-Y447 HydrophobicContact CB-CE2 3.56Å; L442-Y447 HydrophobicContact CD1-CE1 3.93Å; L442-Y447 HydrophobicContact CD1-CE2 4.24Å; L442-Y447 HydrophobicContact CG-CE2 4.49Å; I444-Y447 HydrophobicContact CD1-CD2 4.37Å; I444-Y447 PolarHBondContact O-N 2.63Å; I444-Y447 VanDerWaalsContact O-N 3.13Å; S445-Y447 VanDerWaalsContact C-N 3.26Å |
| 448 | F | 96.7 | Very high | 92.8 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.3 | 149.1 | -60.8 | -69.5 | 0 | 0 | 0 | 107.9 | L413 V414 K416 F419 K420 P421 | L413-F448 WeakPolarHBondContact CA-O 3.35Å; V414-F448 PolarHBondContact N-O 3.39Å; V414-F448 PolarHBondContact O-N 3.41Å; K416-F448 HydrophobicContact CB-CE2 4.11Å; K416-F448 HydrophobicContact CB-CZ 4.42Å; K416-F448 HydrophobicContact CG-CD1 4.37Å; K416-F448 HydrophobicContact CG-CD2 3.96Å; K416-F448 HydrophobicContact CG-CE1 4.16Å; K416-F448 HydrophobicContact CG-CE2 3.76Å; K416-F448 HydrophobicContact CG-CG 4.27Å; K416-F448 HydrophobicContact CG-CZ 3.86Å; F419-F448 WeakPolarHBondContact O-CD2 3.36Å; K420-F448 HydrophobicContact CB-CD2 4.3Å; K420-F448 HydrophobicContact CB-CE1 4.2Å; K420-F448 HydrophobicContact CB-CE2 3.84Å; K420-F448 HydrophobicContact CB-CZ 3.79Å; K420-F448 HydrophobicContact CD-CD1 4.34Å; K420-F448 HydrophobicContact CD-CE1 3.98Å; K420-F448 HydrophobicContact CD-CZ 4.37Å; K420-F448 HydrophobicContact CG-CD1 4.08Å; K420-F448 HydrophobicContact CG-CD2 4.48Å; K420-F448 HydrophobicContact CG-CE1 3.95Å; K420-F448 HydrophobicContact CG-CE2 4.34Å; K420-F448 HydrophobicContact CG-CG 4.34Å; K420-F448 HydrophobicContact CG-CZ 4.08Å; P421-F448 HydrophobicContact CG-CB 3.92Å |
| 449 | V | 96.5 | Very high | 93 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.9 | -173.6 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | Y409 A411 L413 E430 V431 I444 | Y409-V449 HydrophobicContact CE2-CG1 4.45Å; A411-V449 HydrophobicContact CB-CG1 4.03Å; L413-V449 HydrophobicContact CD2-CG2 4.11Å; E430-V449 WeakPolarHBondContact CA-O 3.24Å; V431-V449 HydrophobicContact CB-CB 4.13Å; V431-V449 HydrophobicContact CB-CG1 4.14Å; V431-V449 HydrophobicContact CG2-CG1 4.05Å; V431-V449 PolarHBondContact N-O 2.78Å; I444-V449 HydrophobicContact CD1-CG2 3.73Å; I444-V449 HydrophobicContact CG1-CG2 4.23Å |
| 450 | Q | 95.9 | Very high | 93 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.7 | 173.7 | -63.1 | -178.5 | -15.8 | 0 | 0 | 109.9 | A411 V412 V422 L423 W428 K429 | A411-Q450 CarbonylContact C-O 3.38Å; A411-Q450 WeakPolarHBondContact CA-O 3.42Å; A411-Q450 WeakPolarHBondContact CB-O 3.34Å; V412-Q450 HydrophobicContact CB-CB 4.49Å; V412-Q450 PolarHBondContact N-O 3.28Å; V412-Q450 PolarHBondContact O-N 2.95Å; V422-Q450 PolarHBondContact O-NE2 3.47Å; V422-Q450 VanDerWaalsContact O-NE2 3.11Å; L423-Q450 HydrophobicContact CD1-CG 4.13Å; W428-Q450 HydrophobicContact CE3-CB 4.21Å; K429-Q450 WeakPolarHBondContact O-CA 3.34Å |
| 451 | T | 94.9 | Very high | 93 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.7 | 179.5 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | Y409 P410 W428 K429 V431 | Y409-T451 WeakPolarHBondContact CD2-OG1 3.15Å; P410-T451 PolarHBondContact O-OG1 2.86Å; W428-T451 WeakPolarHBondContact CA-O 3.35Å; K429-T451 HydrophobicContact CG-CG2 3.9Å; K429-T451 PolarHBondContact N-O 2.92Å; K429-T451 PolarHBondContact O-N 2.84Å; V431-T451 HydrophobicContact CG2-CG2 3.47Å; V431-T451 VanDerWaalsContact CG2-CG2 3.47Å |
| 452 | P | 93.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 143.7 | 174.1 | 24 | -35.5 | 0 | 0 | 0 | 111.7 | P410 E427 T454 E455 | P410-P452 HydrophobicContact CG-CG 4.04Å; E427-P452 CarbonylContact O-C 3.58Å; E427-P452 WeakPolarHBondContact O-CA 3.32Å; P452-T454 VanDerWaalsContact C-N 3.3Å; P452-E455 HydrophobicContact CG-CG 4.42Å |
| 453 | T | 91.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 33 Ų | 33 | 40% | 0.399 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -64.7 | -39.2 | 175.4 | -59 | 0 | 0 | 0 | 0 | 110.9 | G426 E427 | G426-T453 PolarHBondContact O-OG1 3.01Å; E427-T453 PolarHBondContact O-N 3Å; E427-T453 PolarHBondContact O-OG1 3.2Å |
| 454 | T | 88.4 | Confident | 93.6 | Very high | 82 Ų | 82 | 33 Ų | 33 | 50% | 0.503 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -130.4 | 123.1 | 176 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | Q214 P452 | Q214-T454 PolarHBondContact NE2-O 3.38Å; Q214-T454 PolarHBondContact OE1-O 3.41Å; P452-T454 VanDerWaalsContact C-N 3.3Å |
| 455 | E | 87.5 | Confident | 93.6 | Very high | 125 Ų | 125 | 34.3 Ų | 34.3 | 58% | 0.584 | 17% | 0.173 | S | C | * | . | trans | -70.9 | 131.9 | 173.2 | -70 | -177.1 | -169 | 0 | 0 | 110.3 | P410 P452 | P410-E455 HydrophobicContact CG-CG 4.47Å; P452-E455 HydrophobicContact CG-CG 4.42Å | ||
| 456 | R | 88.9 | Confident | 93.8 | Very high | 115 Ų | 115 | 31.9 Ų | 31.9 | 43% | 0.434 | 16% | 0.156 | S | C | . | . | trans | -126.7 | 142.9 | 177.9 | -61.6 | -178.7 | -172.5 | 162.7 | 5.2 | 110.1 | Q214 E461 | Q214-R456 HydrophobicContact CG-CB 4.49Å; R456-E461 HydrophobicContact CB-CG 3.99Å; R456-E461 WeakPolarHBondContact CD-OE1 3.42Å; R456-E461 IonicContact CZ-OE1 2.82Å; R456-E461 IonicContact NE-OE1 2.7Å; R456-E461 IonicContact NH1-OE1 2.65Å; R456-E461 PolarHBondContact NH1-OE1 2.86Å; R456-E461 IonicContact NH1-OE2 2.78Å | ||
| 457 | E | 91.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 31.3 Ų | 31.3 | 34% | 0.336 | 15% | 0.153 | S | C | . | . | trans | -72.8 | 145.8 | 178.6 | -155.4 | -66.9 | 121.5 | 0 | 0 | 109.7 | Y46 Y459 S460 E461 | Y46-E457 HydrophobicContact CD1-CG 4.28Å; E457-Y459 PolarHBondContact O-N 2.94Å; E457-Y459 WeakPolarHBondContact OE2-CA 3.42Å; E457-Y459 WeakPolarHBondContact OE2-CB 3.3Å; E457-Y459 PolarHBondContact OE2-N 3.5Å; E457-S460 WeakPolarHBondContact O-CB 3.28Å; E457-S460 PolarHBondContact O-N 3.4Å; E457-E461 PolarHBondContact O-N 2.88Å; E457-E461 VanDerWaalsContact O-N 3.15Å | ||
| 458 | A | 94.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H209 K213 S460 E461 L462 | H209-A458 HydrophobicContact CB-CB 4.48Å; H209-A458 VanDerWaalsContact O-CB 3.26Å; H209-A458 WeakPolarHBondContact O-CB 3.09Å; K213-A458 HydrophobicContact CG-CB 4.35Å; A458-S460 VanDerWaalsContact C-N 3.33Å; A458-E461 PolarHBondContact O-N 2.73Å; A458-L462 WeakPolarHBondContact O-CG 3.23Å; A458-L462 PolarHBondContact O-N 2.93Å |
| 459 | Y | 95.8 | Very high | 93.6 | Very high | 18 Ų | 18 | 33.1 Ų | 33.1 | 7% | 0.071 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 175.7 | -74.8 | -78.8 | 0 | 0 | 0 | 111.5 | L42 Y46 L47 Y146 E178 I207 H209 E457 E461 L462 I463 | L42-Y459 HydrophobicContact CD1-CE1 4.49Å; L42-Y459 HydrophobicContact CD1-CE2 4.07Å; Y46-Y459 HydrophobicContact CD1-CD2 4.17Å; Y46-Y459 HydrophobicContact CD2-CD2 4.41Å; Y46-Y459 HydrophobicContact CD2-CE2 4.3Å; Y46-Y459 AromaticContact CG-CD2 3.83Å; Y46-Y459 HydrophobicContact CG-CD2 3.83Å; Y46-Y459 HydrophobicContact CG-CE2 4.18Å; L47-Y459 HydrophobicContact CD2-CD1 3.74Å; L47-Y459 HydrophobicContact CD2-CE1 4.19Å; L47-Y459 HydrophobicContact CD2-CG 4.26Å; Y146-Y459 WeakPolarHBondContact OH-CD1 3.04Å; Y146-Y459 VanDerWaalsContact OH-CE1 3.27Å; Y146-Y459 WeakPolarHBondContact OH-CE1 3.44Å; E178-Y459 WeakPolarHBondContact OE1-CE1 3.3Å; E178-Y459 PolarHBondContact OE1-OH 2.82Å; E178-Y459 PolarHBondContact OE2-OH 3.46Å; I207-Y459 HydrophobicContact CG2-CE1 3.97Å; H209-Y459 HydrophobicContact CB-CE1 4.46Å; H209-Y459 HydrophobicContact CB-CE2 4.09Å; E457-Y459 PolarHBondContact O-N 2.94Å; E457-Y459 WeakPolarHBondContact OE2-CA 3.42Å; E457-Y459 WeakPolarHBondContact OE2-CB 3.3Å; E457-Y459 PolarHBondContact OE2-N 3.5Å; Y459-E461 VanDerWaalsContact C-N 3.32Å; Y459-E461 PolarHBondContact O-N 3.06Å; Y459-L462 PolarHBondContact O-N 2.83Å; Y459-I463 WeakPolarHBondContact O-CB 3.28Å; Y459-I463 VanDerWaalsContact O-CG1 3.23Å; Y459-I463 WeakPolarHBondContact O-CG1 3.21Å; Y459-I463 PolarHBondContact O-N 2.59Å |
| 460 | S | 93.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | G50 Q53 E457 A458 H464 | G50-S460 WeakPolarHBondContact CA-OG 3.25Å; Q53-S460 PolarHBondContact OE1-OG 2.87Å; E457-S460 WeakPolarHBondContact O-CB 3.28Å; E457-S460 PolarHBondContact O-N 3.4Å; A458-S460 VanDerWaalsContact C-N 3.33Å; S460-H464 PolarHBondContact O-N 2.91Å; S460-H464 PolarHBondContact O-ND1 2.94Å |
| 461 | E | 93.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -47.3 | 176.5 | -72.6 | -66.6 | 113.4 | 0 | 0 | 111.9 | Q214 R456 E457 A458 Y459 I463 H464 H465 | Q214-E461 HydrophobicContact CG-CG 4.45Å; R456-E461 HydrophobicContact CB-CG 3.99Å; R456-E461 WeakPolarHBondContact CD-OE1 3.42Å; R456-E461 IonicContact CZ-OE1 2.82Å; R456-E461 IonicContact NE-OE1 2.7Å; R456-E461 IonicContact NH1-OE1 2.65Å; R456-E461 PolarHBondContact NH1-OE1 2.86Å; R456-E461 IonicContact NH1-OE2 2.78Å; E457-E461 PolarHBondContact O-N 2.88Å; E457-E461 VanDerWaalsContact O-N 3.15Å; A458-E461 PolarHBondContact O-N 2.73Å; Y459-E461 VanDerWaalsContact C-N 3.32Å; Y459-E461 PolarHBondContact O-N 3.06Å; E461-I463 VanDerWaalsContact C-N 3.35Å; E461-I463 PolarHBondContact O-N 2.79Å; E461-H464 PolarHBondContact O-N 3.11Å; E461-H465 PolarHBondContact O-N 2.84Å; E461-H465 VanDerWaalsContact O-N 3.09Å; E461-H465 PolarHBondContact O-ND1 3.45Å |
| 462 | L | 96.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 179.4 | -68.4 | 175.8 | 0 | 0 | 0 | 112.5 | I207 A458 Y459 H464 H465 I466 N473 F474 | I207-L462 HydrophobicContact CD1-CB 4.24Å; I207-L462 HydrophobicContact CD1-CD1 3.92Å; I207-L462 HydrophobicContact CG2-CD1 4.17Å; A458-L462 WeakPolarHBondContact O-CG 3.23Å; A458-L462 PolarHBondContact O-N 2.93Å; Y459-L462 PolarHBondContact O-N 2.83Å; L462-H464 VanDerWaalsContact C-N 3.3Å; L462-H464 PolarHBondContact O-N 3.02Å; L462-H465 CarbonylContact O-C 3.53Å; L462-H465 PolarHBondContact O-N 2.8Å; L462-H465 VanDerWaalsContact O-N 3.12Å; L462-I466 WeakPolarHBondContact O-CD1 3.22Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.49Å; L462-I466 PolarHBondContact O-N 2.94Å; L462-N473 HydrophobicContact CD2-CB 3.85Å; L462-F474 HydrophobicContact CB-CE1 4.33Å; L462-F474 HydrophobicContact CB-CZ 4.19Å; L462-F474 HydrophobicContact CD2-CE1 4.16Å; L462-F474 HydrophobicContact CD2-CZ 3.9Å |
| 463 | I | 97.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 176 | -75.3 | 166.5 | 0 | 0 | 0 | 111.1 | F51 L54 Y146 Y459 E461 I466 F467 | F51-I463 HydrophobicContact CD1-CD1 4.34Å; F51-I463 HydrophobicContact CD1-CG2 3.68Å; F51-I463 HydrophobicContact CD2-CD1 4.24Å; F51-I463 HydrophobicContact CE1-CD1 4.31Å; F51-I463 HydrophobicContact CE1-CG1 4.27Å; F51-I463 HydrophobicContact CE1-CG2 3.76Å; F51-I463 HydrophobicContact CE2-CD1 4.2Å; F51-I463 HydrophobicContact CG-CD1 4.3Å; F51-I463 HydrophobicContact CG-CG2 4.5Å; F51-I463 HydrophobicContact CZ-CD1 4.25Å; F51-I463 HydrophobicContact CZ-CG1 4.37Å; L54-I463 HydrophobicContact CB-CG2 3.99Å; L54-I463 HydrophobicContact CD2-CG2 3.77Å; L54-I463 HydrophobicContact CG-CG2 4.37Å; Y146-I463 HydrophobicContact CE2-CG1 4.48Å; Y459-I463 WeakPolarHBondContact O-CB 3.28Å; Y459-I463 VanDerWaalsContact O-CG1 3.23Å; Y459-I463 WeakPolarHBondContact O-CG1 3.21Å; Y459-I463 PolarHBondContact O-N 2.59Å; E461-I463 VanDerWaalsContact C-N 3.35Å; E461-I463 PolarHBondContact O-N 2.79Å; I463-I466 PolarHBondContact O-N 3.41Å; I463-F467 PolarHBondContact O-N 2.89Å |
| 464 | H | 94.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 173.6 | -73.7 | 82.6 | 0 | 0 | 0 | 111.8 | S57 S460 E461 L462 F467 A468 | S57-H464 PolarHBondContact OG-NE2 3.03Å; S460-H464 PolarHBondContact O-N 2.91Å; S460-H464 PolarHBondContact O-ND1 2.94Å; E461-H464 PolarHBondContact O-N 3.11Å; L462-H464 VanDerWaalsContact C-N 3.3Å; L462-H464 PolarHBondContact O-N 3.02Å; H464-F467 PolarHBondContact O-N 3.46Å; H464-A468 WeakPolarHBondContact O-CB 3.28Å; H464-A468 PolarHBondContact O-N 2.98Å |
| 465 | H | 94.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 175 | -63.5 | 142 | 0 | 0 | 0 | 112.8 | E461 L462 A468 G469 Q470 N473 F474 | E461-H465 PolarHBondContact O-N 2.84Å; E461-H465 VanDerWaalsContact O-N 3.09Å; E461-H465 PolarHBondContact O-ND1 3.45Å; L462-H465 CarbonylContact O-C 3.53Å; L462-H465 PolarHBondContact O-N 2.8Å; L462-H465 VanDerWaalsContact O-N 3.12Å; H465-A468 CarbonylContact O-C 3.58Å; H465-A468 PolarHBondContact O-N 3.11Å; H465-G469 PolarHBondContact O-N 3.38Å; H465-Q470 HydrophobicContact CB-CB 4.27Å; H465-Q470 PolarHBondContact CD2-OE1 3.36Å; H465-Q470 PolarHBondContact O-N 3.13Å; H465-N473 PolarHBondContact CE1-ND2 2.88Å; H465-N473 PolarHBondContact ND1-ND2 3.13Å; H465-N473 VanDerWaalsContact ND1-ND2 3.15Å; H465-F474 HydrophobicContact CB-CE2 3.8Å; H465-F474 HydrophobicContact CB-CZ 4.04Å |
| 466 | I | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 174 | -65.8 | 154.4 | 0 | 0 | 0 | 109.5 | L144 R174 V176 Y205 I207 L462 I463 A468 G469 F474 | L144-I466 HydrophobicContact CD1-CB 4.46Å; L144-I466 HydrophobicContact CD1-CG2 3.58Å; L144-I466 HydrophobicContact CG-CG2 4.07Å; R174-I466 HydrophobicContact CB-CG2 4.23Å; R174-I466 WeakPolarHBondContact CD-O 3.3Å; R174-I466 PolarHBondContact NE-O 3.38Å; R174-I466 PolarHBondContact NH1-O 3.34Å; V176-I466 HydrophobicContact CB-CD1 4.43Å; V176-I466 HydrophobicContact CG1-CD1 3.93Å; V176-I466 HydrophobicContact CG2-CD1 3.58Å; V176-I466 HydrophobicContact CG2-CG1 4.22Å; V176-I466 HydrophobicContact CG2-CG2 4.02Å; Y205-I466 HydrophobicContact CD1-CB 4.33Å; Y205-I466 HydrophobicContact CD1-CG1 3.76Å; Y205-I466 HydrophobicContact CD1-CG2 4.35Å; Y205-I466 HydrophobicContact CE1-CG1 4.42Å; Y205-I466 HydrophobicContact CG-CG1 4.11Å; Y205-I466 HydrophobicContact CG-CG2 4.36Å; I207-I466 HydrophobicContact CD1-CD1 4.27Å; L462-I466 WeakPolarHBondContact O-CD1 3.22Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.49Å; L462-I466 PolarHBondContact O-N 2.94Å; I463-I466 PolarHBondContact O-N 3.41Å; I466-A468 VanDerWaalsContact C-N 3.31Å; I466-A468 PolarHBondContact O-N 3.16Å; I466-G469 PolarHBondContact O-N 3.18Å; I466-F474 HydrophobicContact CD1-CE1 3.95Å; I466-F474 HydrophobicContact CD1-CZ 4.14Å; I466-F474 HydrophobicContact CG1-CE1 3.61Å; I466-F474 HydrophobicContact CG1-CE2 4.36Å; I466-F474 HydrophobicContact CG1-CZ 3.44Å; I466-F474 VanDerWaalsContact CG1-CZ 3.44Å |
| 467 | F | 95.3 | Very high | 94 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 4% | 0.044 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 177.9 | -180 | -92.1 | 0 | 0 | 0 | 112.9 | V31 L54 Q58 F65 R174 I463 H464 G469 | V31-F467 HydrophobicContact CB-CE2 4.46Å; V31-F467 HydrophobicContact CG2-CE2 3.9Å; L54-F467 HydrophobicContact CD1-CB 3.8Å; L54-F467 HydrophobicContact CD1-CD1 4.16Å; L54-F467 HydrophobicContact CD1-CD2 4.36Å; L54-F467 HydrophobicContact CD1-CG 3.85Å; L54-F467 HydrophobicContact CD2-CB 4Å; L54-F467 HydrophobicContact CD2-CD2 4.05Å; L54-F467 HydrophobicContact CD2-CG 4.19Å; Q58-F467 HydrophobicContact CG-CD1 4.29Å; Q58-F467 HydrophobicContact CG-CE1 3.91Å; Q58-F467 HydrophobicContact CG-CZ 4.15Å; F65-F467 HydrophobicContact CE1-CD2 4.26Å; F65-F467 AromaticContact CE1-CE2 3.8Å; F65-F467 HydrophobicContact CE1-CE2 3.8Å; F65-F467 HydrophobicContact CZ-CD2 4.49Å; F65-F467 AromaticContact CZ-CE2 3.78Å; F65-F467 HydrophobicContact CZ-CE2 3.78Å; F65-F467 HydrophobicContact CZ-CZ 4.22Å; R174-F467 PolarHBondContact NH1-O 3.38Å; I463-F467 PolarHBondContact O-N 2.89Å; H464-F467 PolarHBondContact O-N 3.46Å; F467-G469 VanDerWaalsContact C-N 3.26Å; F467-G469 PolarHBondContact O-N 2.65Å |
| 468 | A | 92.9 | Very high | 94.2 | Very high | 50 Ų | 50 | 24.3 Ų | 24.3 | 41% | 0.413 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -76.7 | -9.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H464 H465 I466 Q470 | H464-A468 WeakPolarHBondContact O-CB 3.28Å; H464-A468 PolarHBondContact O-N 2.98Å; H465-A468 CarbonylContact O-C 3.58Å; H465-A468 PolarHBondContact O-N 3.11Å; I466-A468 VanDerWaalsContact C-N 3.31Å; I466-A468 PolarHBondContact O-N 3.16Å; A468-Q470 VanDerWaalsContact C-N 3.29Å; A468-Q470 HydrophobicContact CB-CG 3.96Å; A468-Q470 PolarHBondContact O-N 2.67Å |
| 469 | G | 93.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 26% | 0.258 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 20 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y205 H465 I466 F467 | Y205-G469 WeakPolarHBondContact OH-CA 3.46Å; H465-G469 PolarHBondContact O-N 3.38Å; I466-G469 PolarHBondContact O-N 3.18Å; F467-G469 VanDerWaalsContact C-N 3.26Å; F467-G469 PolarHBondContact O-N 2.65Å |
| 470 | Q | 92.3 | Very high | 94.3 | Very high | 84 Ų | 84 | 23.6 Ų | 23.6 | 39% | 0.393 | 13% | 0.129 | S | C | . | . | trans | -81.5 | 125.4 | -178.8 | -65.5 | -179.8 | 8.2 | 0 | 0 | 110.2 | H465 A468 F474 | H465-Q470 HydrophobicContact CB-CB 4.27Å; H465-Q470 PolarHBondContact CD2-OE1 3.36Å; H465-Q470 PolarHBondContact O-N 3.13Å; A468-Q470 VanDerWaalsContact C-N 3.29Å; A468-Q470 HydrophobicContact CB-CG 3.96Å; A468-Q470 PolarHBondContact O-N 2.67Å; Q470-F474 WeakPolarHBondContact O-CD2 3.49Å; Q470-F474 WeakPolarHBondContact O-CE2 3.26Å | ||
| 471 | K | 91.8 | Very high | 94.5 | Very high | 31 Ų | 31 | 25 Ų | 25 | 14% | 0.135 | 14% | 0.136 | C | C | . | . | trans | -100.6 | -7.6 | -175.4 | -71.6 | -83.1 | -171.3 | 166.4 | 0 | 114.4 | D201 E202 M204 Y205 S291 L295 N473 F474 | D201-K471 PolarHBondContact O-NZ 3.46Å; E202-K471 WeakPolarHBondContact O-CE 3.39Å; E202-K471 PolarHBondContact O-NZ 2.73Å; M204-K471 PolarHBondContact O-NZ 2.81Å; Y205-K471 HydrophobicContact CD1-CD 4.25Å; Y205-K471 HydrophobicContact CE1-CD 3.84Å; Y205-K471 HydrophobicContact CE1-CG 4.42Å; Y205-K471 WeakPolarHBondContact OH-CE 3.38Å; S291-K471 PolarHBondContact OG-N 3.02Å; L295-K471 HydrophobicContact CD1-CB 4.27Å; K471-N473 PolarHBondContact O-N 2.91Å; K471-N473 VanDerWaalsContact O-N 3.09Å; K471-F474 PolarHBondContact O-N 3.44Å; K471-F474 VanDerWaalsContact O-N 3.14Å | ||
| 472 | N | 89.8 | Confident | 94.6 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.9 | -175.7 | -57.4 | -8.8 | 0 | 0 | 0 | 113.7 | V288 S291 V294 K298 | V288-N472 PolarHBondContact O-ND2 3.27Å; S291-N472 WeakPolarHBondContact CA-OD1 3.38Å; S291-N472 WeakPolarHBondContact CB-OD1 3.23Å; S291-N472 PolarHBondContact N-OD1 3.31Å; S291-N472 PolarHBondContact OG-OD1 3.26Å; V294-N472 HydrophobicContact CG1-CB 4.43Å; K298-N472 PolarHBondContact NZ-O 3.38Å |
| 473 | N | 92.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 24.4 Ų | 24.4 | 12% | 0.118 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 19.5 | -172.8 | -59.2 | -39 | 0 | 0 | 0 | 112.6 | L211 L462 H465 K471 | L211-N473 HydrophobicContact CB-CB 4.19Å; L211-N473 WeakPolarHBondContact CB-O 3.27Å; L211-N473 VanDerWaalsContact CD1-O 3.3Å; L211-N473 WeakPolarHBondContact CD1-O 3.39Å; L462-N473 HydrophobicContact CD2-CB 3.85Å; H465-N473 PolarHBondContact CE1-ND2 2.88Å; H465-N473 PolarHBondContact ND1-ND2 3.13Å; H465-N473 VanDerWaalsContact ND1-ND2 3.15Å; K471-N473 PolarHBondContact O-N 2.91Å; K471-N473 VanDerWaalsContact O-N 3.09Å |
| 474 | F | 95.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -130.1 | 153.4 | 179.8 | -58.6 | -87.6 | 0 | 0 | 0 | 110.7 | Y205 I207 L462 H465 I466 Q470 K471 | Y205-F474 AromaticContact CD1-CD1 3.91Å; Y205-F474 HydrophobicContact CD1-CD1 3.91Å; Y205-F474 AromaticContact CD1-CD2 3.74Å; Y205-F474 HydrophobicContact CD1-CD2 3.74Å; Y205-F474 AromaticContact CD1-CE1 3.97Å; Y205-F474 HydrophobicContact CD1-CE1 3.97Å; Y205-F474 AromaticContact CD1-CE2 3.83Å; Y205-F474 HydrophobicContact CD1-CE2 3.83Å; Y205-F474 AromaticContact CD1-CG 3.8Å; Y205-F474 HydrophobicContact CD1-CG 3.8Å; Y205-F474 AromaticContact CD1-CZ 3.98Å; Y205-F474 HydrophobicContact CD1-CZ 3.98Å; Y205-F474 HydrophobicContact CE1-CD2 4.28Å; Y205-F474 HydrophobicContact CE1-CE2 4.3Å; Y205-F474 HydrophobicContact CG-CD1 4.35Å; I207-F474 HydrophobicContact CD1-CD1 4.16Å; I207-F474 HydrophobicContact CD1-CE1 3.66Å; L462-F474 HydrophobicContact CB-CE1 4.33Å; L462-F474 HydrophobicContact CB-CZ 4.19Å; L462-F474 HydrophobicContact CD2-CE1 4.16Å; L462-F474 HydrophobicContact CD2-CZ 3.9Å; H465-F474 HydrophobicContact CB-CE2 3.8Å; H465-F474 HydrophobicContact CB-CZ 4.04Å; I466-F474 HydrophobicContact CD1-CE1 3.95Å; I466-F474 HydrophobicContact CD1-CZ 4.14Å; I466-F474 HydrophobicContact CG1-CE1 3.61Å; I466-F474 HydrophobicContact CG1-CE2 4.36Å; I466-F474 HydrophobicContact CG1-CZ 3.44Å; I466-F474 VanDerWaalsContact CG1-CZ 3.44Å; Q470-F474 WeakPolarHBondContact O-CD2 3.49Å; Q470-F474 WeakPolarHBondContact O-CE2 3.26Å; K471-F474 PolarHBondContact O-N 3.44Å; K471-F474 VanDerWaalsContact O-N 3.14Å |
| 475 | V | 95.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 119.9 | -178.8 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | R206 D208 N479 L480 | R206-V475 HydrophobicContact CB-CB 4.1Å; R206-V475 WeakPolarHBondContact CB-O 3.35Å; R206-V475 WeakPolarHBondContact CD-O 3.4Å; R206-V475 PolarHBondContact O-N 3.25Å; D208-V475 HydrophobicContact CB-CG2 4.24Å; V475-N479 HydrophobicContact CG1-CB 4.4Å; V475-L480 HydrophobicContact CG1-CB 3.84Å |
| 476 | S | 94.5 | Very high | 95 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | trans | -77 | 160.2 | 172 | 68.9 | 0 | 0 | 0 | 0 | 111 | E478 N479 L480 | S476-E478 VanDerWaalsContact C-N 3.26Å; S476-E478 PolarHBondContact O-N 3.01Å; S476-N479 PolarHBondContact O-N 3.39Å; S476-N479 WeakPolarHBondContact OG-CB 3.47Å; S476-N479 PolarHBondContact OG-N 3.4Å; S476-N479 PolarHBondContact OG-ND2 3.41Å; S476-N479 VanDerWaalsContact OG-ND2 3.14Å; S476-L480 WeakPolarHBondContact O-CB 3.3Å; S476-L480 PolarHBondContact O-N 3.13Å | ||
| 477 | T | 94.1 | Very high | 95 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.5 | -45.3 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | A192 D201 R206 L480 L481 | A192-T477 HydrophobicContact CB-CG2 3.7Å; D201-T477 WeakPolarHBondContact OD1-CB 3.35Å; D201-T477 PolarHBondContact OD1-OG1 3.06Å; R206-T477 VanDerWaalsContact CZ-OG1 3.24Å; R206-T477 PolarHBondContact NH1-OG1 3.11Å; R206-T477 VanDerWaalsContact NH1-OG1 3.09Å; R206-T477 PolarHBondContact NH2-OG1 3.48Å; T477-L480 WeakPolarHBondContact O-CB 3.18Å; T477-L480 PolarHBondContact O-N 3.07Å; T477-L481 HydrophobicContact CG2-CD1 4.29Å; T477-L481 WeakPolarHBondContact O-CG 3.48Å; T477-L481 PolarHBondContact O-N 3.41Å |
| 478 | E | 95.3 | Very high | 95.1 | Very high | 103 Ų | 103 | 27.1 Ų | 27.1 | 48% | 0.481 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.7 | -36.8 | -176.9 | -60.4 | 172.9 | 109.1 | 0 | 0 | 112.4 | R299 S476 A482 | R299-E478 IonicContact CZ-OE1 2.84Å; R299-E478 IonicContact CZ-OE2 3.49Å; R299-E478 IonicContact NH1-OE1 3.9Å; R299-E478 PolarHBondContact NH1-OE1 2.94Å; R299-E478 IonicContact NH1-OE2 3.72Å; R299-E478 PolarHBondContact NH1-OE2 2.95Å; R299-E478 VanDerWaalsContact NH1-OE2 3.1Å; R299-E478 VanDerWaalsContact NH2-CB 3.33Å; R299-E478 IonicContact NH2-OE1 3.28Å; R299-E478 IonicContact NH2-OE2 3.5Å; R299-E478 PolarHBondContact NH2-OE2 3.12Å; S476-E478 VanDerWaalsContact C-N 3.26Å; S476-E478 PolarHBondContact O-N 3.01Å; E478-A482 WeakPolarHBondContact O-CB 3.35Å; E478-A482 PolarHBondContact O-N 3.27Å |
| 479 | N | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.9 | -38 | 174.4 | -78.7 | -33.6 | 0 | 0 | 0 | 112 | L295 R299 V475 S476 A482 S483 | L295-N479 WeakPolarHBondContact CD2-ND2 3.36Å; L295-N479 PolarHBondContact O-ND2 3.33Å; L295-N479 PolarHBondContact O-OD1 3.05Å; R299-N479 VanDerWaalsContact CA-OD1 3.31Å; R299-N479 WeakPolarHBondContact CA-OD1 3.4Å; R299-N479 VanDerWaalsContact CB-OD1 3.23Å; R299-N479 WeakPolarHBondContact CB-OD1 3.4Å; R299-N479 PolarHBondContact N-OD1 3.34Å; V475-N479 HydrophobicContact CG1-CB 4.4Å; S476-N479 PolarHBondContact O-N 3.39Å; S476-N479 WeakPolarHBondContact OG-CB 3.47Å; S476-N479 PolarHBondContact OG-N 3.4Å; S476-N479 PolarHBondContact OG-ND2 3.41Å; S476-N479 VanDerWaalsContact OG-ND2 3.14Å; N479-A482 PolarHBondContact O-N 2.99Å; N479-S483 WeakPolarHBondContact O-CB 3.48Å; N479-S483 PolarHBondContact O-N 2.87Å |
| 480 | L | 96.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 175.1 | 175.5 | 64.7 | 0 | 0 | 0 | 111.1 | F181 V475 S476 T477 S483 W484 | F181-L480 HydrophobicContact CB-CD1 3.89Å; F181-L480 HydrophobicContact CB-CD2 3.5Å; F181-L480 HydrophobicContact CB-CG 4.34Å; F181-L480 HydrophobicContact CD2-CD1 4.39Å; F181-L480 HydrophobicContact CG-CD2 4.23Å; V475-L480 HydrophobicContact CG1-CB 3.84Å; S476-L480 WeakPolarHBondContact O-CB 3.3Å; S476-L480 PolarHBondContact O-N 3.13Å; T477-L480 WeakPolarHBondContact O-CB 3.18Å; T477-L480 PolarHBondContact O-N 3.07Å; L480-S483 PolarHBondContact O-N 2.99Å; L480-W484 VanDerWaalsContact O-CD1 3.29Å; L480-W484 PolarHBondContact O-N 3.45Å |
| 481 | L | 97.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 16% | 0.157 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 179.1 | -66.7 | 178.3 | 0 | 0 | 0 | 111.5 | Y185 A188 Q189 T477 S483 W484 E485 | Y185-L481 HydrophobicContact CE2-CB 4.1Å; Y185-L481 HydrophobicContact CE2-CD2 4.33Å; A188-L481 HydrophobicContact CB-CD2 4.16Å; Q189-L481 HydrophobicContact CB-CD2 4.07Å; T477-L481 HydrophobicContact CG2-CD1 4.29Å; T477-L481 WeakPolarHBondContact O-CG 3.48Å; T477-L481 PolarHBondContact O-N 3.41Å; L481-S483 VanDerWaalsContact C-N 3.3Å; L481-S483 PolarHBondContact O-N 3.15Å; L481-W484 CarbonylContact O-C 3.54Å; L481-W484 PolarHBondContact O-N 2.88Å; L481-E485 WeakPolarHBondContact O-CG 3.4Å; L481-E485 PolarHBondContact O-N 3.39Å |
| 482 | A | 97.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 8% | 0.083 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R299 L302 E478 N479 E485 V486 | R299-A482 HydrophobicContact CG-CB 4.2Å; L302-A482 HydrophobicContact CB-CB 3.94Å; L302-A482 HydrophobicContact CD1-CB 4.01Å; E478-A482 WeakPolarHBondContact O-CB 3.35Å; E478-A482 PolarHBondContact O-N 3.27Å; N479-A482 PolarHBondContact O-N 2.99Å; A482-E485 PolarHBondContact O-N 3.08Å; A482-V486 PolarHBondContact O-N 2.86Å |
| 483 | S | 97.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | Q270 N479 L480 L481 E485 V486 W487 | Q270-S483 PolarHBondContact NE2-OG 2.91Å; Q270-S483 PolarHBondContact O-OG 2.77Å; N479-S483 WeakPolarHBondContact O-CB 3.48Å; N479-S483 PolarHBondContact O-N 2.87Å; L480-S483 PolarHBondContact O-N 2.99Å; L481-S483 VanDerWaalsContact C-N 3.3Å; L481-S483 PolarHBondContact O-N 3.15Å; S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.75Å; S483-V486 WeakPolarHBondContact O-CB 3.39Å; S483-V486 PolarHBondContact O-N 3.09Å; S483-V486 VanDerWaalsContact O-N 3.09Å; S483-W487 PolarHBondContact O-N 3.27Å; S483-W487 VanDerWaalsContact O-N 3.11Å |
| 484 | W | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -29.4 | 179.2 | -78.8 | 119.9 | 0 | 0 | 0 | 114.4 | F181 G182 H183 Y185 A188 R266 Q270 L480 L481 V486 W487 T488 L491 | F181-W484 PolarHBondContact O-NE1 3.19Å; G182-W484 WeakPolarHBondContact O-CZ2 3.37Å; H183-W484 VanDerWaalsContact C-CH2 3.49Å; Y185-W484 HydrophobicContact CD2-CB 4.04Å; A188-W484 HydrophobicContact CB-CG 4.08Å; R266-W484 HydrophobicContact CB-CH2 4.48Å; R266-W484 HydrophobicContact CG-CH2 4.09Å; R266-W484 HydrophobicContact CG-CZ3 4.43Å; Q270-W484 HydrophobicContact CG-CD2 4.18Å; Q270-W484 HydrophobicContact CG-CE3 3.93Å; Q270-W484 HydrophobicContact CG-CH2 3.87Å; Q270-W484 HydrophobicContact CG-CZ2 4.12Å; Q270-W484 HydrophobicContact CG-CZ3 3.78Å; L480-W484 VanDerWaalsContact O-CD1 3.29Å; L480-W484 PolarHBondContact O-N 3.45Å; L481-W484 CarbonylContact O-C 3.54Å; L481-W484 PolarHBondContact O-N 2.88Å; W484-V486 PolarHBondContact O-N 3.35Å; W484-W487 HydrophobicContact CE3-CB 4.47Å; W484-W487 PolarHBondContact O-N 2.78Å; W484-T488 WeakPolarHBondContact O-CB 3.37Å; W484-T488 PolarHBondContact O-N 3.44Å; W484-T488 PolarHBondContact O-OG1 3.11Å; W484-L491 HydrophobicContact CE3-CD1 4.5Å; W484-L491 HydrophobicContact CZ3-CD1 3.73Å |
| 485 | E | 97 | Very high | 94.7 | Very high | 105 Ų | 105 | 37 Ų | 37 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 172.2 | -72.2 | 176.4 | 177.5 | 0 | 0 | 111.6 | Y185 L481 A482 S483 P489 | Y185-E485 HydrophobicContact CD2-CB 4.48Å; Y185-E485 HydrophobicContact CD2-CG 3.47Å; Y185-E485 VanDerWaalsContact CD2-CG 3.47Å; Y185-E485 HydrophobicContact CE2-CG 3.2Å; Y185-E485 WeakPolarHBondContact CE2-OE1 3.47Å; Y185-E485 HydrophobicContact CG-CG 4.46Å; Y185-E485 PolarHBondContact OH-OE1 2.73Å; L481-E485 WeakPolarHBondContact O-CG 3.4Å; L481-E485 PolarHBondContact O-N 3.39Å; A482-E485 PolarHBondContact O-N 3.08Å; S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.75Å; E485-P489 WeakPolarHBondContact O-CD 3.37Å; E485-P489 WeakPolarHBondContact O-CG 3.38Å |
| 486 | V | 96.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.1 | -44.7 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | L302 M305 L308 A482 S483 W484 | L302-V486 WeakPolarHBondContact O-CG2 3.33Å; M305-V486 HydrophobicContact CB-CG1 4.36Å; M305-V486 HydrophobicContact CB-CG2 3.99Å; M305-V486 HydrophobicContact CE-CG1 3.61Å; M305-V486 HydrophobicContact CG-CG2 4.48Å; M305-V486 HydrophobicContact SD-CB 4.47Å; M305-V486 HydrophobicContact SD-CG1 3.86Å; M305-V486 HydrophobicContact SD-CG2 3.99Å; L308-V486 HydrophobicContact CD1-CG1 3.63Å; L308-V486 HydrophobicContact CG-CG1 4.02Å; A482-V486 PolarHBondContact O-N 2.86Å; S483-V486 WeakPolarHBondContact O-CB 3.39Å; S483-V486 PolarHBondContact O-N 3.09Å; S483-V486 VanDerWaalsContact O-N 3.09Å; W484-V486 PolarHBondContact O-N 3.35Å |
| 487 | W | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -87.8 | -29.2 | -169.1 | -71.2 | 104.3 | 0 | 0 | 0 | 114.8 | I265 L269 Q270 T274 L308 V345 L361 S483 W484 L490 L491 | I265-W487 HydrophobicContact CG2-CE3 3.69Å; I265-W487 HydrophobicContact CG2-CZ3 3.92Å; L269-W487 HydrophobicContact CB-CH2 3.67Å; L269-W487 HydrophobicContact CB-CZ2 4.15Å; L269-W487 HydrophobicContact CB-CZ3 4Å; L269-W487 HydrophobicContact CD2-CH2 4.03Å; L269-W487 HydrophobicContact CD2-CZ3 4.12Å; L269-W487 HydrophobicContact CG-CH2 4.33Å; Q270-W487 HydrophobicContact CB-CB 4.47Å; Q270-W487 HydrophobicContact CB-CD2 4.28Å; Q270-W487 HydrophobicContact CB-CG 4.01Å; Q270-W487 HydrophobicContact CG-CB 3.97Å; Q270-W487 HydrophobicContact CG-CG 3.79Å; T274-W487 VanDerWaalsContact OG1-CZ2 3.25Å; T274-W487 WeakPolarHBondContact OG1-CZ2 3.29Å; T274-W487 PolarHBondContact OG1-NE1 2.82Å; L308-W487 HydrophobicContact CD1-CD2 4.23Å; L308-W487 HydrophobicContact CD1-CE3 3.98Å; L308-W487 HydrophobicContact CD1-CH2 4.28Å; L308-W487 HydrophobicContact CD1-CZ3 4.01Å; V345-W487 HydrophobicContact CB-CH2 4.23Å; V345-W487 HydrophobicContact CB-CZ3 4.27Å; V345-W487 HydrophobicContact CG1-CH2 3.98Å; V345-W487 HydrophobicContact CG1-CZ3 3.94Å; V345-W487 HydrophobicContact CG2-CH2 4.42Å; V345-W487 HydrophobicContact CG2-CZ3 4.06Å; L361-W487 HydrophobicContact CD1-CH2 3.84Å; L361-W487 HydrophobicContact CD1-CZ2 3.85Å; S483-W487 PolarHBondContact O-N 3.27Å; S483-W487 VanDerWaalsContact O-N 3.11Å; W484-W487 HydrophobicContact CE3-CB 4.47Å; W484-W487 PolarHBondContact O-N 2.78Å; W487-L490 HydrophobicContact CE3-CD2 4Å; W487-L490 HydrophobicContact CZ3-CD2 3.87Å; W487-L490 PolarHBondContact O-N 3.28Å; W487-L491 WeakPolarHBondContact O-CG 3.27Å; W487-L491 PolarHBondContact O-N 3.2Å |
| 488 | T | 97.2 | Very high | 92.2 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 17% | 0.172 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | -176.8 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | D184 Y185 W484 L490 L491 S492 | D184-T488 HydrophobicContact CB-CG2 4.1Å; Y185-T488 WeakPolarHBondContact CB-OG1 3.45Å; Y185-T488 PolarHBondContact N-OG1 2.92Å; W484-T488 WeakPolarHBondContact O-CB 3.37Å; W484-T488 PolarHBondContact O-N 3.44Å; W484-T488 PolarHBondContact O-OG1 3.11Å; T488-L490 VanDerWaalsContact C-N 3.32Å; T488-L490 PolarHBondContact O-N 3.43Å; T488-L491 PolarHBondContact O-N 2.86Å; T488-S492 WeakPolarHBondContact O-CB 3.26Å; T488-S492 PolarHBondContact O-N 3.24Å; T488-S492 PolarHBondContact O-OG 3.24Å |
| 489 | P | 96.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 40 Ų | 40 | 40% | 0.403 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 175.1 | -25.9 | 36 | 0 | 0 | 0 | 112.7 | E485 S492 A493 | E485-P489 WeakPolarHBondContact O-CD 3.37Å; E485-P489 WeakPolarHBondContact O-CG 3.38Å; P489-S492 PolarHBondContact O-N 3.49Å; P489-A493 WeakPolarHBondContact O-CB 3.16Å; P489-A493 PolarHBondContact O-N 2.83Å |
| 490 | L | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -47.8 | 178.5 | 179.2 | 60.6 | 0 | 0 | 0 | 111.6 | L308 G309 A313 V345 W487 T488 S492 A493 L494 | L308-L490 HydrophobicContact CB-CB 3.8Å; L308-L490 HydrophobicContact CB-CD2 4.19Å; L308-L490 HydrophobicContact CB-CG 4.4Å; L308-L490 HydrophobicContact CD1-CD2 4.23Å; L308-L490 WeakPolarHBondContact O-CA 3.34Å; L308-L490 PolarHBondContact O-N 2.9Å; G309-L490 WeakPolarHBondContact O-CD1 3.06Å; A313-L490 HydrophobicContact CB-CD1 3.73Å; A313-L490 HydrophobicContact CB-CD2 4.14Å; A313-L490 HydrophobicContact CB-CG 4.47Å; V345-L490 HydrophobicContact CG1-CD2 3.95Å; V345-L490 HydrophobicContact CG2-CD2 3.92Å; W487-L490 HydrophobicContact CE3-CD2 4Å; W487-L490 HydrophobicContact CZ3-CD2 3.87Å; W487-L490 PolarHBondContact O-N 3.28Å; T488-L490 VanDerWaalsContact C-N 3.32Å; T488-L490 PolarHBondContact O-N 3.43Å; L490-S492 PolarHBondContact O-N 3.19Å; L490-A493 PolarHBondContact O-N 2.86Å; L490-A493 VanDerWaalsContact O-N 3.16Å; L490-L494 HydrophobicContact CD1-CD1 3.74Å; L490-L494 HydrophobicContact CD1-CG 3.98Å; L490-L494 HydrophobicContact CD2-CD1 4.45Å; L490-L494 HydrophobicContact CG-CD1 3.81Å; L490-L494 HydrophobicContact CG-CG 4.4Å; L490-L494 WeakPolarHBondContact O-CB 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.46Å; L490-L494 PolarHBondContact O-N 2.86Å |
| 491 | L | 95.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.5 | -40.8 | 177.2 | -70.5 | 168.6 | 0 | 0 | 0 | 111.5 | I265 R266 W484 W487 T488 L494 R495 | I265-L491 HydrophobicContact CB-CD2 3.95Å; I265-L491 HydrophobicContact CD1-CD2 4.25Å; I265-L491 HydrophobicContact CG2-CD2 3.74Å; I265-L491 HydrophobicContact CG2-CG 4.35Å; R266-L491 HydrophobicContact CG-CD1 4.04Å; R266-L491 HydrophobicContact CG-CD2 4.15Å; W484-L491 HydrophobicContact CE3-CD1 4.5Å; W484-L491 HydrophobicContact CZ3-CD1 3.73Å; W487-L491 WeakPolarHBondContact O-CG 3.27Å; W487-L491 PolarHBondContact O-N 3.2Å; T488-L491 PolarHBondContact O-N 2.86Å; L491-L494 PolarHBondContact O-N 2.85Å; L491-R495 PolarHBondContact O-N 3.31Å |
| 492 | S | 92.2 | Very high | 90.1 | Very high | 81 Ų | 81 | 42 Ų | 42 | 57% | 0.566 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.8 | -44.1 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | T488 P489 L490 L494 R495 | T488-S492 WeakPolarHBondContact O-CB 3.26Å; T488-S492 PolarHBondContact O-N 3.24Å; T488-S492 PolarHBondContact O-OG 3.24Å; P489-S492 PolarHBondContact O-N 3.49Å; L490-S492 PolarHBondContact O-N 3.19Å; S492-L494 VanDerWaalsContact C-N 3.29Å; S492-L494 PolarHBondContact O-N 3.12Å; S492-R495 PolarHBondContact O-N 2.79Å |
| 493 | A | 88.1 | Confident | 89.3 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.1 | -27.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K310 P489 L490 | K310-A493 HydrophobicContact CB-CB 4.27Å; P489-A493 WeakPolarHBondContact O-CB 3.16Å; P489-A493 PolarHBondContact O-N 2.83Å; L490-A493 PolarHBondContact O-N 2.86Å; L490-A493 VanDerWaalsContact O-N 3.16Å |
| 494 | L | 88.4 | Confident | 88.8 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -89.6 | -10.1 | -179.1 | -68.9 | 175.6 | 0 | 0 | 0 | 114.3 | I265 K310 A313 V315 L490 L491 S492 A496 S497 | I265-L494 HydrophobicContact CD1-CD1 3.54Å; K310-L494 HydrophobicContact CG-CD2 4.44Å; A313-L494 HydrophobicContact CB-CD1 4.16Å; V315-L494 HydrophobicContact CG1-CD1 3.91Å; V315-L494 HydrophobicContact CG1-CD2 4.48Å; V315-L494 HydrophobicContact CG2-CD2 4.42Å; L490-L494 HydrophobicContact CD1-CD1 3.74Å; L490-L494 HydrophobicContact CD1-CG 3.98Å; L490-L494 HydrophobicContact CD2-CD1 4.45Å; L490-L494 HydrophobicContact CG-CD1 3.81Å; L490-L494 HydrophobicContact CG-CG 4.4Å; L490-L494 WeakPolarHBondContact O-CB 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.46Å; L490-L494 PolarHBondContact O-N 2.86Å; L491-L494 PolarHBondContact O-N 2.85Å; S492-L494 VanDerWaalsContact C-N 3.29Å; S492-L494 PolarHBondContact O-N 3.12Å; L494-A496 PolarHBondContact O-N 3.49Å; L494-S497 WeakPolarHBondContact O-CB 3.2Å; L494-S497 PolarHBondContact O-N 3.23Å |
| 495 | R | 82.7 | Confident | 88.4 | Confident | 217 Ų | 217 | 43.9 Ų | 43.9 | 82% | 0.819 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -33.1 | -173.1 | -172.7 | 176.4 | -179.3 | 169.7 | 2.3 | 115.2 | L491 S492 | L491-R495 PolarHBondContact O-N 3.31Å; S492-R495 PolarHBondContact O-N 2.79Å |
| 496 | A | 75.5 | Confident | 87.7 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 65% | 0.653 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 13.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L494 | L494-A496 PolarHBondContact O-N 3.49Š|
| 497 | S | 76.9 | Confident | 87 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -87 | 126.7 | 178.8 | -64.3 | 0 | 0 | 0 | 0 | 110 | K310 L494 P499 | K310-S497 WeakPolarHBondContact CE-OG 3.11Å; L494-S497 WeakPolarHBondContact O-CB 3.2Å; L494-S497 PolarHBondContact O-N 3.23Å; S497-P499 WeakPolarHBondContact O-CD 3.44Å |
| 498 | F | 78.7 | Confident | 86.2 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 124.1 | 173.1 | -74.3 | -91.8 | 0 | 0 | 0 | 109.7 | V336 L338 L604 | V336-F498 HydrophobicContact CG1-CE1 4.46Å; L338-F498 HydrophobicContact CD2-CD1 3.42Å; L338-F498 VanDerWaalsContact CD2-CD1 3.42Å; L338-F498 HydrophobicContact CD2-CE1 3.42Å; L338-F498 VanDerWaalsContact CD2-CE1 3.42Å; L338-F498 HydrophobicContact CD2-CG 4.03Å; L338-F498 HydrophobicContact CD2-CZ 4.04Å; F498-L604 HydrophobicContact CD1-CD2 3.9Å; F498-L604 HydrophobicContact CE1-CD2 3.64Å |
| 499 | P | 88.9 | Confident | 85.5 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -68 | 143.8 | 174.7 | 27.5 | -32.1 | 0 | 0 | 0 | 110.8 | V315 Q317 S497 I501 | V315-P499 HydrophobicContact CG2-CB 4.46Å; Q317-P499 HydrophobicContact CB-CB 3.71Å; Q317-P499 HydrophobicContact CB-CG 3.53Å; Q317-P499 HydrophobicContact CG-CG 4.46Å; S497-P499 WeakPolarHBondContact O-CD 3.44Å; P499-I501 PolarHBondContact O-N 3.11Å |
| 500 | R | 83.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 51 Ų | 51 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 125.5 | 169.6 | 172 | 174.8 | -75.7 | -162.4 | -4.1 | 109.3 | V315 G316 Q317 M511 F523 S525 | V315-R500 PolarHBondContact O-N 3.49Å; G316-R500 CarbonylContact C-O 3.5Å; G316-R500 WeakPolarHBondContact CA-O 3.49Å; Q317-R500 PolarHBondContact N-O 3.18Å; R500-M511 WeakPolarHBondContact CD-O 3.48Å; R500-M511 PolarHBondContact NH1-O 3.37Å; R500-F523 HydrophobicContact CB-CD2 4.45Å; R500-F523 HydrophobicContact CB-CE2 3.63Å; R500-F523 HydrophobicContact CB-CZ 3.92Å; R500-F523 HydrophobicContact CG-CE2 4.29Å; R500-F523 HydrophobicContact CG-CZ 4.47Å; R500-F523 VanDerWaalsContact NE-CD2 3.32Å; R500-F523 VanDerWaalsContact NH1-CG 3.32Å; R500-S525 PolarHBondContact NH1-O 3.23Å; R500-S525 VanDerWaalsContact NH1-O 3.11Å; R500-S525 PolarHBondContact NH1-OG 3.01Å; R500-S525 PolarHBondContact NH2-O 3.02Å |
| 501 | I | 83.9 | Confident | 84.1 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 135.4 | 175.3 | -55 | -54.4 | 0 | 0 | 0 | 110.1 | Q317 Q319 P499 F607 | Q317-I501 HydrophobicContact CB-CD1 4.04Å; Q317-I501 VanDerWaalsContact O-CA 3.27Å; Q317-I501 WeakPolarHBondContact O-CA 3.41Å; Q319-I501 HydrophobicContact CB-CG2 3.93Å; Q319-I501 HydrophobicContact CG-CG2 4.24Å; P499-I501 PolarHBondContact O-N 3.11Å; I501-F607 HydrophobicContact CB-CE2 4.44Å; I501-F607 HydrophobicContact CB-CZ 4.48Å; I501-F607 HydrophobicContact CG1-CE2 4.35Å; I501-F607 HydrophobicContact CG1-CZ 3.98Å |
| 502 | Y | 83.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.5 | 173.4 | 62.9 | -88.3 | 0 | 0 | 0 | 111 | Q317 Y318 Q319 T341 F342 K365 M366 L367 G504 N508 L512 | Q317-Y502 VanDerWaalsContact C-CD1 3.48Å; Q317-Y502 WeakPolarHBondContact O-CD1 3.41Å; Q317-Y502 PolarHBondContact O-N 2.73Å; Q317-Y502 VanDerWaalsContact O-N 3.12Å; Y318-Y502 CarbonylContact C-O 3.49Å; Y318-Y502 VanDerWaalsContact CA-O 3.26Å; Y318-Y502 WeakPolarHBondContact CA-O 3.38Å; Y318-Y502 VanDerWaalsContact CB-CE2 3.49Å; Q319-Y502 PolarHBondContact N-O 3Å; T341-Y502 PolarHBondContact OG1-OH 2.94Å; F342-Y502 HydrophobicContact CB-CE1 3.71Å; K365-Y502 WeakPolarHBondContact O-CE2 3.29Å; K365-Y502 PolarHBondContact O-OH 2.76Å; M366-Y502 HydrophobicContact CB-CE2 4.3Å; L367-Y502 HydrophobicContact CD2-CE2 4.07Å; Y502-G504 PolarHBondContact O-N 3.32Å; Y502-N508 VanDerWaalsContact CD2-OD1 3.28Å; Y502-N508 WeakPolarHBondContact CD2-OD1 3.42Å; Y502-L512 HydrophobicContact CD1-CD1 4.24Å; Y502-L512 HydrophobicContact CD1-CD2 3.95Å; Y502-L512 HydrophobicContact CD2-CD1 4.16Å; Y502-L512 HydrophobicContact CE1-CD1 4.48Å; Y502-L512 HydrophobicContact CE2-CD1 4.37Å; Y502-L512 HydrophobicContact CG-CD1 4.06Å; Y502-L512 HydrophobicContact CG-CD2 4.19Å; Y502-L512 HydrophobicContact CG-CG 4.46Å |
| 503 | P | 81.3 | Confident | 83.7 | Confident | 23 Ų | 23 | 52 Ų | 52 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | trans | -62.2 | -44.4 | -174.5 | -15.2 | 23.7 | 0 | 0 | 0 | 113.1 | D507 M511 I530 | P503-D507 HydrophobicContact CB-CB 3.95Å; P503-D507 HydrophobicContact CG-CB 4.16Å; P503-M511 HydrophobicContact CG-CE 3.51Å; P503-I530 HydrophobicContact CG-CD1 3.56Å; P503-I530 HydrophobicContact CG-CG1 4.35Å | ||
| 504 | G | 87.3 | Confident | 83.9 | Confident | 9 Ų | 9 | 52 Ų | 52 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | trans | 108.5 | 147.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.2 | M366 Y502 N508 | M366-G504 CarbonylContact O-C 3.55Å; M366-G504 WeakPolarHBondContact O-CA 3.29Å; Y502-G504 PolarHBondContact O-N 3.32Å; G504-N508 WeakPolarHBondContact CA-OD1 3.37Å; G504-N508 PolarHBondContact N-OD1 3.02Å | ||
| 505 | G | 88.6 | Confident | 84 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | 72.3 | -148.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M366 D368 D507 N508 | M366-G505 PolarHBondContact O-N 2.95Å; D368-G505 WeakPolarHBondContact CA-O 3.26Å; D368-G505 PolarHBondContact N-O 3.36Å; G505-D507 PolarHBondContact O-N 2.78Å; G505-N508 WeakPolarHBondContact O-CB 3.41Å; G505-N508 PolarHBondContact O-N 3.46Å; G505-N508 PolarHBondContact O-ND2 2.5Å |
| 506 | A | 83.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -66.8 | -24.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N508 G509 | A506-N508 PolarHBondContact O-N 3.2Å; A506-N508 VanDerWaalsContact O-N 3.09Å; A506-G509 PolarHBondContact O-N 2.99Å |
| 507 | D | 80.8 | Confident | 84.9 | Confident | 127 Ų | 127 | 52.8 Ų | 52.8 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -67.8 | -8.5 | 179.8 | -61.6 | -22.5 | 0 | 0 | 0 | 112.8 | P503 G505 G509 M511 | P503-D507 HydrophobicContact CB-CB 3.95Å; P503-D507 HydrophobicContact CG-CB 4.16Å; G505-D507 PolarHBondContact O-N 2.78Å; D507-G509 PolarHBondContact O-N 3.38Å; D507-M511 VanDerWaalsContact O-CE 3.23Å; D507-M511 WeakPolarHBondContact O-CE 3.36Å |
| 508 | N | 81.9 | Confident | 85.4 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58.6 | -30.4 | 173.3 | -68 | -15.1 | 0 | 0 | 0 | 113 | M366 Y502 G504 G505 A506 D510 M511 | M366-N508 PolarHBondContact O-ND2 3.04Å; Y502-N508 VanDerWaalsContact CD2-OD1 3.28Å; Y502-N508 WeakPolarHBondContact CD2-OD1 3.42Å; G504-N508 WeakPolarHBondContact CA-OD1 3.37Å; G504-N508 PolarHBondContact N-OD1 3.02Å; G505-N508 WeakPolarHBondContact O-CB 3.41Å; G505-N508 PolarHBondContact O-N 3.46Å; G505-N508 PolarHBondContact O-ND2 2.5Å; A506-N508 PolarHBondContact O-N 3.2Å; A506-N508 VanDerWaalsContact O-N 3.09Å; N508-D510 PolarHBondContact O-N 3.01Å; N508-M511 VanDerWaalsContact O-CB 3.26Å; N508-M511 WeakPolarHBondContact O-CB 3.42Å; N508-M511 WeakPolarHBondContact O-CE 3.42Å; N508-M511 WeakPolarHBondContact O-CG 3.15Å; N508-M511 PolarHBondContact O-N 2.76Å |
| 509 | G | 81.1 | Confident | 85.9 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 66% | 0.66 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | -129 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A506 D507 | A506-G509 PolarHBondContact O-N 2.99Å; D507-G509 PolarHBondContact O-N 3.38Å |
| 510 | D | 81.6 | Confident | 86 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 12.1 | 176.3 | 67.8 | -14.9 | 0 | 0 | 0 | 113.2 | N508 L512 D513 S525 | N508-D510 PolarHBondContact O-N 3.01Å; D510-L512 PolarHBondContact O-N 3.47Å; D510-D513 HydrophobicContact CB-CB 4.46Å; D510-D513 WeakPolarHBondContact CB-OD2 3.18Å; D510-D513 WeakPolarHBondContact O-CB 3.49Å; D510-D513 PolarHBondContact O-N 3.19Å; D510-D513 VanDerWaalsContact O-N 3.09Å; D510-S525 PolarHBondContact O-OG 2.7Å |
| 511 | M | 81.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24.9 | -174.8 | -72.9 | -172.6 | -92.3 | 0 | 0 | 113.8 | R500 P503 D507 N508 I530 | R500-M511 WeakPolarHBondContact CD-O 3.48Å; R500-M511 PolarHBondContact NH1-O 3.37Å; P503-M511 HydrophobicContact CG-CE 3.51Å; D507-M511 VanDerWaalsContact O-CE 3.23Å; D507-M511 WeakPolarHBondContact O-CE 3.36Å; N508-M511 VanDerWaalsContact O-CB 3.26Å; N508-M511 WeakPolarHBondContact O-CB 3.42Å; N508-M511 WeakPolarHBondContact O-CE 3.42Å; N508-M511 WeakPolarHBondContact O-CG 3.15Å; N508-M511 PolarHBondContact O-N 2.76Å; M511-I530 HydrophobicContact CE-CD1 4.33Å; M511-I530 HydrophobicContact SD-CD1 4.28Å; M511-I530 HydrophobicContact SD-CG1 4.48Å |
| 512 | L | 89.7 | Confident | 86.6 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 1.2 | 178.9 | -60.6 | 179.8 | 0 | 0 | 0 | 112.7 | F342 L367 Y502 D510 F523 | F342-L512 HydrophobicContact CD1-CD2 3.95Å; F342-L512 HydrophobicContact CD2-CD1 3.89Å; F342-L512 HydrophobicContact CE1-CB 4.29Å; F342-L512 HydrophobicContact CE1-CD2 4.11Å; F342-L512 HydrophobicContact CE2-CB 4.26Å; F342-L512 HydrophobicContact CE2-CD1 4.08Å; F342-L512 HydrophobicContact CG-CD1 4.12Å; F342-L512 HydrophobicContact CG-CD2 4.29Å; F342-L512 HydrophobicContact CZ-CB 3.97Å; F342-L512 HydrophobicContact CZ-CD1 4.48Å; L367-L512 HydrophobicContact CD2-CD1 3.56Å; Y502-L512 HydrophobicContact CD1-CD1 4.24Å; Y502-L512 HydrophobicContact CD1-CD2 3.95Å; Y502-L512 HydrophobicContact CD2-CD1 4.16Å; Y502-L512 HydrophobicContact CE1-CD1 4.48Å; Y502-L512 HydrophobicContact CE2-CD1 4.37Å; Y502-L512 HydrophobicContact CG-CD1 4.06Å; Y502-L512 HydrophobicContact CG-CD2 4.19Å; Y502-L512 HydrophobicContact CG-CG 4.46Å; D510-L512 PolarHBondContact O-N 3.47Å; L512-F523 HydrophobicContact CD2-CE1 4.03Å; L512-F523 HydrophobicContact CD2-CZ 4.45Å |
| 513 | D | 90.5 | Very high | 86.6 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | trans | -64.7 | 145.4 | 176.3 | -75.2 | -0.9 | 0 | 0 | 0 | 110.5 | D510 F523 N524 | D510-D513 HydrophobicContact CB-CB 4.46Å; D510-D513 WeakPolarHBondContact CB-OD2 3.18Å; D510-D513 WeakPolarHBondContact O-CB 3.49Å; D510-D513 PolarHBondContact O-N 3.19Å; D510-D513 VanDerWaalsContact O-N 3.09Å; D513-F523 CarbonylContact O-C 3.47Å; D513-F523 VanDerWaalsContact O-CA 3.29Å; D513-F523 WeakPolarHBondContact O-CA 3.4Å; D513-N524 HydrophobicContact CB-CB 4.02Å; D513-N524 PolarHBondContact O-N 3.25Å | ||
| 514 | V | 92.7 | Very high | 86.5 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 26% | 0.255 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142.1 | -173.8 | -62 | 0 | 0 | 0 | 0 | 111.7 | V314 A344 L360 L516 I521 R522 F523 | V314-V514 HydrophobicContact CG2-CG1 3.6Å; A344-V514 HydrophobicContact CB-CG1 4.16Å; L360-V514 HydrophobicContact CD2-CG2 4.32Å; V514-L516 HydrophobicContact CG2-CD2 4.46Å; V514-I521 HydrophobicContact CB-CD1 3.94Å; V514-I521 HydrophobicContact CB-CG1 3.89Å; V514-I521 HydrophobicContact CG1-CD1 4.01Å; V514-I521 HydrophobicContact CG1-CG1 4.15Å; V514-I521 HydrophobicContact CG2-CD1 4.01Å; V514-I521 HydrophobicContact CG2-CG1 4.39Å; V514-R522 CarbonylContact C-O 3.46Å; V514-R522 VanDerWaalsContact CA-O 3.27Å; V514-R522 WeakPolarHBondContact CA-O 3.36Å; V514-F523 HydrophobicContact CG1-CD1 4.27Å |
| 515 | H | 88.9 | Confident | 85.2 | Confident | 100 Ų | 100 | 65 Ų | 65 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.1 | 170.9 | -178.8 | 74.4 | 0 | 0 | 0 | 109.6 | R522 N524 | H515-R522 PolarHBondContact N-O 2.94Å; H515-R522 PolarHBondContact O-N 3.28Å; H515-N524 HydrophobicContact CB-CB 4.45Å |
| 516 | L | 92.5 | Very high | 83.4 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 29% | 0.288 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.2 | 179.3 | -48.2 | -176.8 | 0 | 0 | 0 | 109.3 | L346 P358 L360 V514 I521 | L346-L516 HydrophobicContact CD1-CD1 4.27Å; L346-L516 HydrophobicContact CD1-CD2 4.32Å; L346-L516 HydrophobicContact CD2-CD2 4.21Å; P358-L516 HydrophobicContact CB-CD1 4.24Å; P358-L516 HydrophobicContact CG-CD1 4.43Å; L360-L516 HydrophobicContact CD1-CD2 4.42Å; V514-L516 HydrophobicContact CG2-CD2 4.46Å; L516-I521 HydrophobicContact CD2-CB 4.1Å; L516-I521 HydrophobicContact CD2-CD1 3.95Å; L516-I521 HydrophobicContact CD2-CG1 3.79Å |
| 517 | R | 86 | Confident | 81.4 | Confident | 177 Ų | 177 | 67.2 Ų | 67.2 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 100.2 | 175.4 | -172.2 | -179.7 | 178.7 | -172 | -0.6 | 110 | K519 E520 | R517-K519 PolarHBondContact O-N 2.92Å; R517-E520 PolarHBondContact N-O 3.45Å; R517-E520 PolarHBondContact O-N 3.33Å; R517-E520 VanDerWaalsContact O-N 3.07Å |
| 518 | G | 87.5 | Confident | 79.3 | Confident | 66 Ų | 66 | 65 Ų | 65 | 68% | 0.68 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -121.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E520 | G518-E520 VanDerWaalsContact C-N 3.35Š|
| 519 | K | 89.4 | Confident | 77.2 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 52% | 0.522 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.5 | 177.9 | -60.2 | -175.4 | -179.4 | -179.2 | 0 | 113.9 | L306 Q312 R517 | L306-K519 HydrophobicContact CD1-CD 4.11Å; Q312-K519 PolarHBondContact NE2-O 3.12Å; R517-K519 PolarHBondContact O-N 2.92Å |
| 520 | E | 90.3 | Very high | 74.8 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.8 | -179.5 | -55.7 | -165.9 | 158.6 | 0 | 0 | 111.9 | N311 R517 G518 R522 | N311-E520 HydrophobicContact CB-CB 4.48Å; N311-E520 HydrophobicContact CB-CG 4.03Å; N311-E520 PolarHBondContact ND2-OE1 3.36Å; N311-E520 VanDerWaalsContact O-CA 3.31Å; N311-E520 WeakPolarHBondContact O-CA 3.09Å; R517-E520 PolarHBondContact N-O 3.45Å; R517-E520 PolarHBondContact O-N 3.33Å; R517-E520 VanDerWaalsContact O-N 3.07Å; G518-E520 VanDerWaalsContact C-N 3.35Å; E520-R522 IonicContact OE2-CZ 3.87Å; E520-R522 IonicContact OE2-NE 2.8Å; E520-R522 PolarHBondContact OE2-NE 2.73Å; E520-R522 IonicContact OE2-NH2 2.97Å; E520-R522 PolarHBondContact OE2-NH2 3.18Å |
| 521 | I | 93.7 | Very high | 72.4 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.5 | 172.2 | -175 | 168.3 | 0 | 0 | 0 | 109.6 | N311 Q312 A313 V314 A344 L346 L360 V514 L516 | N311-I521 PolarHBondContact O-N 3.05Å; Q312-I521 WeakPolarHBondContact O-CG2 3.36Å; A313-I521 VanDerWaalsContact N-CG2 3.31Å; V314-I521 HydrophobicContact CG1-CG1 4.34Å; V314-I521 HydrophobicContact CG1-CG2 4.4Å; V314-I521 HydrophobicContact CG2-CD1 4.29Å; V314-I521 HydrophobicContact CG2-CG1 4.38Å; A344-I521 HydrophobicContact CB-CD1 3.93Å; L346-I521 HydrophobicContact CB-CB 3.96Å; L346-I521 HydrophobicContact CB-CD1 4.39Å; L346-I521 HydrophobicContact CB-CG2 4.07Å; L346-I521 HydrophobicContact CD2-CB 4.27Å; L360-I521 HydrophobicContact CD1-CD1 3.56Å; V514-I521 HydrophobicContact CB-CD1 3.94Å; V514-I521 HydrophobicContact CB-CG1 3.89Å; V514-I521 HydrophobicContact CG1-CD1 4.01Å; V514-I521 HydrophobicContact CG1-CG1 4.15Å; V514-I521 HydrophobicContact CG2-CD1 4.01Å; V514-I521 HydrophobicContact CG2-CG1 4.39Å; L516-I521 HydrophobicContact CD2-CB 4.1Å; L516-I521 HydrophobicContact CD2-CD1 3.95Å; L516-I521 HydrophobicContact CD2-CG1 3.79Å |
| 522 | R | 86.1 | Confident | 70.2 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.7 | 175.2 | -59.6 | -177.2 | -173.3 | -169.8 | -0.2 | 108.5 | V514 H515 E520 | V514-R522 CarbonylContact C-O 3.46Å; V514-R522 VanDerWaalsContact CA-O 3.27Å; V514-R522 WeakPolarHBondContact CA-O 3.36Å; H515-R522 PolarHBondContact N-O 2.94Å; H515-R522 PolarHBondContact O-N 3.28Å; E520-R522 IonicContact OE2-CZ 3.87Å; E520-R522 IonicContact OE2-NE 2.8Å; E520-R522 PolarHBondContact OE2-NE 2.73Å; E520-R522 IonicContact OE2-NH2 2.97Å; E520-R522 PolarHBondContact OE2-NH2 3.18Å |
| 523 | F | 83 | Confident | 67.6 | Low | 20 Ų | 20 | 75.5 Ų | 75.5 | 9% | 0.088 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 142 | 167.2 | -67.6 | -68.5 | 0 | 0 | 0 | 110.5 | V314 F342 R500 L512 D513 V514 | V314-F523 HydrophobicContact CB-CD1 4.39Å; V314-F523 HydrophobicContact CB-CD2 4.06Å; V314-F523 HydrophobicContact CB-CE1 4.01Å; V314-F523 HydrophobicContact CB-CE2 3.67Å; V314-F523 HydrophobicContact CB-CG 4.41Å; V314-F523 HydrophobicContact CB-CZ 3.64Å; V314-F523 HydrophobicContact CG1-CD2 4.11Å; V314-F523 HydrophobicContact CG1-CE2 4.2Å; V314-F523 HydrophobicContact CG1-CG 4.39Å; V314-F523 HydrophobicContact CG2-CD1 4.15Å; V314-F523 HydrophobicContact CG2-CE1 3.74Å; V314-F523 HydrophobicContact CG2-CE2 4.33Å; V314-F523 HydrophobicContact CG2-CZ 3.85Å; F342-F523 AromaticContact CE1-CE1 3.98Å; F342-F523 HydrophobicContact CE1-CE1 3.98Å; F342-F523 HydrophobicContact CE1-CZ 4.37Å; R500-F523 HydrophobicContact CB-CD2 4.45Å; R500-F523 HydrophobicContact CB-CE2 3.63Å; R500-F523 HydrophobicContact CB-CZ 3.92Å; R500-F523 HydrophobicContact CG-CE2 4.29Å; R500-F523 HydrophobicContact CG-CZ 4.47Å; R500-F523 VanDerWaalsContact NE-CD2 3.32Å; R500-F523 VanDerWaalsContact NH1-CG 3.32Å; L512-F523 HydrophobicContact CD2-CE1 4.03Å; L512-F523 HydrophobicContact CD2-CZ 4.45Å; D513-F523 CarbonylContact O-C 3.47Å; D513-F523 VanDerWaalsContact O-CA 3.29Å; D513-F523 WeakPolarHBondContact O-CA 3.4Å; V514-F523 HydrophobicContact CG1-CD1 4.27Å |
| 524 | N | 78.7 | Confident | 64.9 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 51% | 0.508 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -69.9 | -43.8 | -178.5 | -175.5 | 49.5 | 0 | 0 | 0 | 111.5 | D513 H515 | D513-N524 HydrophobicContact CB-CB 4.02Å; D513-N524 PolarHBondContact O-N 3.25Å; H515-N524 HydrophobicContact CB-CB 4.45Å |
| 525 | S | 61.2 | Low | 62.1 | Low | 15 Ų | 15 | 80.1 Ų | 80.1 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -87.1 | 139.3 | 174.7 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | R500 D510 | R500-S525 PolarHBondContact NH1-O 3.23Å; R500-S525 VanDerWaalsContact NH1-O 3.11Å; R500-S525 PolarHBondContact NH1-OG 3.01Å; R500-S525 PolarHBondContact NH2-O 3.02Å; D510-S525 PolarHBondContact O-OG 2.7Å |
| 526 | E | 50.5 | Low | 59.3 | Low | 116 Ų | 116 | 79.6 Ų | 79.6 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | trans | -59.9 | 147.2 | 154.6 | -65.3 | -170.9 | 177.7 | 0 | 0 | 107.6 | V528 R612 | E526-V528 VanDerWaalsContact O-CG2 3.3Å; E526-V528 WeakPolarHBondContact O-CG2 3.3Å; E526-V528 PolarHBondContact O-N 3.4Å; E526-R612 IonicContact OE1-NH1 3.54Å | ||
| 527 | A | 42.5 | Very low | 56.3 | Low | 32 Ų | 32 | 78.9 Ų | 78.9 | 26% | 0.264 | 45% | 0.452 | S | S | . | . | trans | -54.9 | 111.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F607 | A527-F607 HydrophobicContact CB-CB 3.63Š| ||
| 528 | V | 36.1 | Very low | 53.5 | Low | 81 Ų | 81 | 76.6 Ų | 76.6 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | trans | -82.3 | 139 | -175.5 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | E526 I530 | E526-V528 VanDerWaalsContact O-CG2 3.3Å; E526-V528 WeakPolarHBondContact O-CG2 3.3Å; E526-V528 PolarHBondContact O-N 3.4Å; V528-I530 PolarHBondContact O-N 3.34Å | ||
| 529 | I | 36.3 | Very low | 50.7 | Low | 87 Ų | 87 | 77 Ų | 77 | 45% | 0.446 | 45% | 0.452 | S | S | . | . | trans | -48.1 | 117.4 | 178.7 | -58 | 155.1 | 0 | 0 | 0 | 110.9 | ||||
| 530 | I | 32.6 | Very low | 48.2 | Very low | 61 Ų | 61 | 74.1 Ų | 74.1 | 31% | 0.313 | 45% | 0.451 | S | S | . | . | trans | -103.7 | 97 | 153.4 | -56.2 | 156.6 | 0 | 0 | 0 | 105.4 | P503 M511 V528 A535 | P503-I530 HydrophobicContact CG-CD1 3.56Å; P503-I530 HydrophobicContact CG-CG1 4.35Å; M511-I530 HydrophobicContact CE-CD1 4.33Å; M511-I530 HydrophobicContact SD-CD1 4.28Å; M511-I530 HydrophobicContact SD-CG1 4.48Å; V528-I530 PolarHBondContact O-N 3.34Å; I530-A535 HydrophobicContact CG2-CB 4.41Å | ||
| 531 | S | 30.8 | Very low | 45.5 | Very low | 52 Ų | 52 | 76 Ų | 76 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -59.8 | 135.6 | 163.3 | -62.9 | 0 | 0 | 0 | 0 | 107.5 | D533 Q534 | S531-D533 PolarHBondContact O-N 2.83Å; S531-Q534 PolarHBondContact O-N 3.36Å; S531-Q534 VanDerWaalsContact O-N 3.12Å | ||
| 532 | P | 36.2 | Very low | 42.6 | Very low | 99 Ų | 99 | 80.6 Ų | 80.6 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -51 | -24.2 | 174.6 | -24.8 | 32.3 | 0 | 0 | 0 | 113.2 | Q534 A535 | P532-Q534 VanDerWaalsContact C-N 3.3Å; P532-Q534 PolarHBondContact O-N 2.85Å; P532-A535 PolarHBondContact O-N 3.29Å |
| 533 | D | 34.1 | Very low | 40.6 | Very low | 109 Ų | 109 | 80.7 Ų | 80.7 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -71.5 | -12.2 | -177.7 | -62.6 | -36 | 0 | 0 | 0 | 115.3 | S531 | S531-D533 PolarHBondContact O-N 2.83Š|
| 534 | Q | 34.4 | Very low | 39 | Very low | 171 Ų | 171 | 87 Ų | 87 | 80% | 0.799 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -100.6 | -6.8 | 176.8 | -73.2 | -171 | -9 | 0 | 0 | 114.4 | S531 P532 | S531-Q534 PolarHBondContact O-N 3.36Å; S531-Q534 VanDerWaalsContact O-N 3.12Å; P532-Q534 VanDerWaalsContact C-N 3.3Å; P532-Q534 PolarHBondContact O-N 2.85Å |
| 535 | A | 33.8 | Very low | 37.9 | Very low | 52 Ų | 52 | 84.2 Ų | 84.2 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 53.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I530 P532 G537 | I530-A535 HydrophobicContact CG2-CB 4.41Å; P532-A535 PolarHBondContact O-N 3.29Å; A535-G537 PolarHBondContact O-N 3.29Å |
| 536 | G | 30.8 | Very low | 38.3 | Very low | 89 Ų | 89 | 88.3 Ų | 88.3 | 92% | 0.918 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 13.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 537 | G | 29.2 | Very low | 39.6 | Very low | 41 Ų | 41 | 89.1 Ų | 89.1 | 42% | 0.423 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -84.3 | 156.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A535 S539 | A535-G537 PolarHBondContact O-N 3.29Å; G537-S539 PolarHBondContact O-N 2.95Å; G537-S539 VanDerWaalsContact O-N 3.12Å |
| 538 | P | 26.5 | Very low | 41.7 | Very low | 129 Ų | 129 | 89 Ų | 89 | 84% | 0.838 | 55% | 0.547 | S | S | * | . | trans | -53.9 | 127.5 | 176.9 | 24.3 | -30.7 | 0 | 0 | 0 | 108.4 | ||||
| 539 | S | 29.4 | Very low | 44.2 | Very low | 73 Ų | 73 | 93 Ų | 93 | 51% | 0.51 | 56% | 0.558 | S | S | . | * | trans | -42.4 | 150.4 | -178.6 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | G537 S541 | G537-S539 PolarHBondContact O-N 2.95Å; G537-S539 VanDerWaalsContact O-N 3.12Å; S539-S541 PolarHBondContact O-N 2.76Å; S539-S541 PolarHBondContact OG-OG 3.02Å | ||
| 540 | A | 36.3 | Very low | 46.7 | Very low | 60 Ų | 60 | 89.6 Ų | 89.6 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -60.1 | 34.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F543 | A540-F543 HydrophobicContact CB-CE2 4.24Š|
| 541 | S | 32.4 | Very low | 49.3 | Very low | 94 Ų | 94 | 90.2 Ų | 90.2 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | trans | -125.5 | 27 | -173.4 | 66.9 | 0 | 0 | 0 | 0 | 113.8 | S539 | S539-S541 PolarHBondContact O-N 2.76Å; S539-S541 PolarHBondContact OG-OG 3.02Å | ||
| 542 | S | 32.7 | Very low | 51.8 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 70% | 0.699 | 55% | 0.55 | S | S | * | * | trans | -143.2 | 40 | 172.7 | 74.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 543 | F | 44.6 | Very low | 54.4 | Low | 118 Ų | 118 | 86.8 Ų | 86.8 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | trans | -86.9 | 127.5 | 169.1 | -55.9 | -77.9 | 0 | 0 | 0 | 109.5 | A540 V545 | A540-F543 HydrophobicContact CB-CE2 4.24Å; F543-V545 HydrophobicContact CB-CG2 3.73Å; F543-V545 PolarHBondContact O-N 3.06Å | ||
| 544 | Q | 49.5 | Very low | 57.2 | Low | 152 Ų | 152 | 86.7 Ų | 86.7 | 71% | 0.71 | 52% | 0.523 | S | S | * | . | trans | -75.7 | 58.3 | 167 | -70.3 | -176.2 | -9.4 | 0 | 0 | 109.5 | Y786 | Q544-Y786 PolarHBondContact O-OH 3.01Š| ||
| 545 | V | 56.1 | Low | 60.1 | Low | 37 Ų | 37 | 79 Ų | 79 | 22% | 0.224 | 49% | 0.488 | C | S | . | . | trans | -86.9 | 118.1 | 172.3 | 176 | 0 | 0 | 0 | 0 | 107.5 | F543 Q547 V556 A558 | F543-V545 HydrophobicContact CB-CG2 3.73Å; F543-V545 PolarHBondContact O-N 3.06Å; V545-Q547 HydrophobicContact CG1-CG 4.23Å; V545-Q547 PolarHBondContact O-N 2.82Å; V545-V556 HydrophobicContact CG1-CG1 3.65Å; V545-A558 HydrophobicContact CG2-CB 4.24Å | ||
| 546 | M | 70.2 | Confident | 62.9 | Low | 102 Ų | 102 | 77 Ų | 77 | 50% | 0.502 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 107.7 | 171.3 | -175.9 | 177.9 | 169.1 | 0 | 0 | 108.7 | S557 Y786 | M546-S557 PolarHBondContact N-O 3.32Å; M546-S557 PolarHBondContact O-N 3.43Å; M546-Y786 HydrophobicContact CB-CE1 4.44Å |
| 547 | Q | 77.5 | Confident | 65.6 | Low | 133 Ų | 133 | 72.8 Ų | 72.8 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.8 | 167.8 | -68.1 | -174.9 | -18.3 | 0 | 0 | 109.7 | V545 M555 | V545-Q547 HydrophobicContact CG1-CG 4.23Å; V545-Q547 PolarHBondContact O-N 2.82Å; Q547-M555 WeakPolarHBondContact CA-O 3.34Å |
| 548 | G | 85.8 | Confident | 68.3 | Low | 30 Ų | 30 | 70.8 Ų | 70.8 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | -159.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M555 | G548-M555 PolarHBondContact N-O 2.88Å; G548-M555 PolarHBondContact O-N 3.19Å |
| 549 | K | 88.9 | Confident | 70.8 | Confident | 165 Ų | 165 | 71.2 Ų | 71.2 | 72% | 0.717 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.8 | 171.4 | -68 | -169.7 | 176 | -168.4 | 0 | 110.8 | A553 | K549-A553 CarbonylContact C-O 3.55Å; K549-A553 WeakPolarHBondContact CA-O 3.38Å; K549-A553 WeakPolarHBondContact CB-O 3.37Å |
| 550 | F | 88.8 | Confident | 73.2 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 7% | 0.066 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.2 | 169.2 | -172.1 | -100.6 | 0 | 0 | 0 | 108.6 | G552 A553 M555 V755 L758 W782 I784 | F550-G552 PolarHBondContact O-N 3.1Å; F550-G552 VanDerWaalsContact O-N 3.13Å; F550-A553 PolarHBondContact N-O 3.21Å; F550-A553 PolarHBondContact O-N 2.56Å; F550-M555 HydrophobicContact CB-CB 3.83Å; F550-M555 HydrophobicContact CB-CG 3.98Å; F550-M555 HydrophobicContact CB-SD 3.82Å; F550-M555 HydrophobicContact CD2-SD 4.37Å; F550-M555 HydrophobicContact CG-SD 4.42Å; F550-V755 HydrophobicContact CE2-CG1 3.89Å; F550-V755 HydrophobicContact CZ-CG1 4Å; F550-L758 HydrophobicContact CE1-CB 4.32Å; F550-L758 HydrophobicContact CZ-CB 4.01Å; F550-W782 HydrophobicContact CB-CB 4.3Å; F550-W782 HydrophobicContact CB-CG 4.17Å; F550-W782 AromaticContact CD1-CD2 3.56Å; F550-W782 HydrophobicContact CD1-CD2 3.56Å; F550-W782 AromaticContact CD1-CE2 3.74Å; F550-W782 AromaticContact CD1-CE3 3.85Å; F550-W782 HydrophobicContact CD1-CE3 3.85Å; F550-W782 AromaticContact CD1-CG 3.87Å; F550-W782 HydrophobicContact CD1-CG 3.87Å; F550-W782 HydrophobicContact CD1-CH2 4.42Å; F550-W782 HydrophobicContact CD1-CZ2 4.18Å; F550-W782 HydrophobicContact CD1-CZ3 4.27Å; F550-W782 HydrophobicContact CE1-CD2 4.13Å; F550-W782 AromaticContact CE1-CE3 3.99Å; F550-W782 HydrophobicContact CE1-CE3 3.99Å; F550-W782 HydrophobicContact CE1-CH2 4.13Å; F550-W782 HydrophobicContact CE1-CZ2 4.28Å; F550-W782 AromaticContact CE1-CZ3 3.99Å; F550-W782 HydrophobicContact CE1-CZ3 3.99Å; F550-W782 HydrophobicContact CG-CG 4.46Å; F550-I784 HydrophobicContact CB-CD1 4.43Å; F550-I784 HydrophobicContact CD1-CD1 4.02Å; F550-I784 HydrophobicContact CD2-CD1 4.06Å; F550-I784 HydrophobicContact CE1-CD1 4.25Å; F550-I784 HydrophobicContact CE2-CD1 4.3Å; F550-I784 HydrophobicContact CG-CD1 3.92Å; F550-I784 HydrophobicContact CZ-CD1 4.39Å |
| 551 | R | 87.6 | Confident | 75.1 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 35 | -172.4 | -59 | -176 | 64.9 | 80.3 | 0.8 | 114 | A553 L758 V761 D763 | R551-A553 PolarHBondContact O-N 2.74Å; R551-L758 WeakPolarHBondContact CD-O 3.32Å; R551-L758 PolarHBondContact NH1-O 2.87Å; R551-V761 PolarHBondContact NH1-O 3.25Å; R551-V761 PolarHBondContact NH2-O 3.22Å; R551-V761 VanDerWaalsContact NH2-O 3.13Å; R551-D763 IonicContact CZ-OD1 3.72Å; R551-D763 IonicContact NH2-OD1 2.65Å; R551-D763 PolarHBondContact NH2-OD1 2.96Å |
| 552 | G | 83.6 | Confident | 77.3 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 61% | 0.608 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -10.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F550 | F550-G552 PolarHBondContact O-N 3.1Å; F550-G552 VanDerWaalsContact O-N 3.13Å |
| 553 | A | 90.7 | Very high | 79.8 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 164.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K549 F550 R551 L780 | K549-A553 CarbonylContact C-O 3.55Å; K549-A553 WeakPolarHBondContact CA-O 3.38Å; K549-A553 WeakPolarHBondContact CB-O 3.37Å; F550-A553 PolarHBondContact N-O 3.21Å; F550-A553 PolarHBondContact O-N 2.56Å; R551-A553 PolarHBondContact O-N 2.74Å; A553-L780 HydrophobicContact CB-CB 4.06Å; A553-L780 HydrophobicContact CB-CD2 3.93Å; A553-L780 HydrophobicContact CB-CG 4.04Å |
| 554 | E | 93.4 | Very high | 81.8 | Confident | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 142 | 178.2 | -66.1 | -177.8 | 160.9 | 0 | 0 | 110.8 | L780 V781 W782 | E554-L780 PolarHBondContact N-O 3.21Å; E554-V781 HydrophobicContact CB-CG1 4.32Å; E554-V781 HydrophobicContact CB-CG2 4.39Å; E554-V781 WeakPolarHBondContact O-CA 3.33Å; E554-W782 PolarHBondContact O-N 2.89Å |
| 555 | M | 93.8 | Very high | 83.4 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.054 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.8 | 176.3 | -174.8 | -167.7 | 73 | 0 | 0 | 110.1 | Q547 G548 F550 W782 I784 L789 | Q547-M555 WeakPolarHBondContact CA-O 3.34Å; G548-M555 PolarHBondContact N-O 2.88Å; G548-M555 PolarHBondContact O-N 3.19Å; F550-M555 HydrophobicContact CB-CB 3.83Å; F550-M555 HydrophobicContact CB-CG 3.98Å; F550-M555 HydrophobicContact CB-SD 3.82Å; F550-M555 HydrophobicContact CD2-SD 4.37Å; F550-M555 HydrophobicContact CG-SD 4.42Å; M555-W782 CarbonylContact C-O 3.55Å; M555-W782 VanDerWaalsContact CA-O 3.27Å; M555-W782 WeakPolarHBondContact CA-O 3.38Å; M555-W782 HydrophobicContact CB-CB 4.34Å; M555-W782 HydrophobicContact CG-CB 4.21Å; M555-I784 HydrophobicContact CG-CD1 4.28Å; M555-I784 HydrophobicContact CG-CG1 4.41Å; M555-I784 HydrophobicContact SD-CD1 4.07Å; M555-L789 HydrophobicContact CE-CD2 3.94Å; M555-L789 HydrophobicContact SD-CD1 4.17Å; M555-L789 HydrophobicContact SD-CD2 4.2Å |
| 556 | V | 92.9 | Very high | 84.9 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.3 | 168.4 | -178.9 | 0 | 0 | 0 | 0 | 107 | V545 L563 R566 V781 W782 Y783 I784 | V545-V556 HydrophobicContact CG1-CG1 3.65Å; V556-L563 HydrophobicContact CB-CD1 4.42Å; V556-L563 HydrophobicContact CG1-CD1 4Å; V556-L563 WeakPolarHBondContact O-CD1 3.23Å; V556-R566 HydrophobicContact CG1-CG 3.87Å; V556-V781 HydrophobicContact CG2-CG1 4.12Å; V556-W782 PolarHBondContact N-O 3.49Å; V556-Y783 HydrophobicContact CB-CD1 3.86Å; V556-Y783 HydrophobicContact CB-CE1 3.99Å; V556-Y783 HydrophobicContact CG1-CD1 4.13Å; V556-Y783 HydrophobicContact CG1-CE1 4.24Å; V556-Y783 HydrophobicContact CG2-CD1 4.35Å; V556-Y783 HydrophobicContact CG2-CE1 3.99Å; V556-Y783 WeakPolarHBondContact O-CA 3.45Å; V556-I784 PolarHBondContact O-N 2.93Å |
| 557 | S | 88.1 | Confident | 86 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.4 | 175.3 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | M546 I784 Y786 L789 | M546-S557 PolarHBondContact N-O 3.32Å; M546-S557 PolarHBondContact O-N 3.43Å; S557-I784 WeakPolarHBondContact CA-O 3.31Å; S557-I784 WeakPolarHBondContact CB-O 3.34Å; S557-I784 PolarHBondContact OG-O 3.31Å; S557-Y786 WeakPolarHBondContact OG-CD1 3.4Å; S557-L789 VanDerWaalsContact OG-CD2 3.3Å; S557-L789 WeakPolarHBondContact OG-CD2 3.34Å |
| 558 | A | 85.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V545 E562 L563 D785 Y786 | V545-A558 HydrophobicContact CG2-CB 4.24Å; A558-E562 HydrophobicContact CB-CB 3.79Å; A558-L563 HydrophobicContact CB-CB 4.2Å; A558-D785 CarbonylContact O-C 3.53Å; A558-D785 VanDerWaalsContact O-CA 3.22Å; A558-D785 WeakPolarHBondContact O-CA 3.48Å; A558-Y786 VanDerWaalsContact C-CD2 3.46Å; A558-Y786 PolarHBondContact O-N 2.67Å |
| 559 | W | 79.8 | Confident | 86.7 | Confident | 138 Ų | 138 | 50.1 Ų | 50.1 | 52% | 0.523 | 25% | 0.25 | S | S | . | . | trans | -63.7 | 155.1 | 166.3 | -66.3 | 103 | 0 | 0 | 0 | 110.5 | E561 E562 L563 Y786 | W559-E561 VanDerWaalsContact C-N 3.27Å; W559-E561 PolarHBondContact O-N 2.95Å; W559-E561 VanDerWaalsContact O-N 3.12Å; W559-E562 PolarHBondContact N-OE2 3.5Å; W559-E562 PolarHBondContact O-N 3.49Å; W559-E562 VanDerWaalsContact O-N 3.08Å; W559-L563 WeakPolarHBondContact O-CB 3.41Å; W559-L563 PolarHBondContact O-N 3.48Å; W559-Y786 AromaticContact CD1-CD2 3.79Å; W559-Y786 AromaticContact CD1-CE2 3.8Å; W559-Y786 AromaticContact CD2-CD2 3.64Å; W559-Y786 HydrophobicContact CD2-CD2 3.64Å; W559-Y786 HydrophobicContact CD2-CE2 4.41Å; W559-Y786 AromaticContact CE2-CD2 3.61Å; W559-Y786 HydrophobicContact CE3-CD2 4.2Å; W559-Y786 AromaticContact CG-CD2 3.77Å; W559-Y786 HydrophobicContact CG-CD2 3.77Å; W559-Y786 HydrophobicContact CG-CE2 4.2Å; W559-Y786 HydrophobicContact CZ2-CD2 4.15Å; W559-Y786 AromaticContact NE1-CD2 3.69Å; W559-Y786 AromaticContact NE1-CE2 3.78Å | ||
| 560 | S | 78.7 | Confident | 86.8 | Confident | 37 Ų | 37 | 42.8 Ų | 42.8 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -53.2 | -39.8 | -170.4 | -50.5 | 0 | 0 | 0 | 0 | 113.7 | V564 M747 D785 | S560-V564 VanDerWaalsContact O-CG2 3.27Å; S560-V564 WeakPolarHBondContact O-CG2 3.3Å; S560-V564 PolarHBondContact O-N 3.18Å; S560-M747 VanDerWaalsContact CB-CE 3.5Å; S560-M747 WeakPolarHBondContact O-CE 3.49Å; S560-D785 PolarHBondContact OG-OD2 2.96Å |
| 561 | E | 75.8 | Confident | 87.1 | Confident | 150 Ų | 150 | 42 Ų | 42 | 70% | 0.701 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.2 | -49.5 | 177 | -66.2 | -169 | 158.3 | 0 | 0 | 112.5 | W559 L563 V564 E565 | W559-E561 VanDerWaalsContact C-N 3.27Å; W559-E561 PolarHBondContact O-N 2.95Å; W559-E561 VanDerWaalsContact O-N 3.12Å; E561-L563 VanDerWaalsContact C-N 3.29Å; E561-L563 PolarHBondContact O-N 3.35Å; E561-V564 PolarHBondContact O-N 3.35Å; E561-E565 WeakPolarHBondContact O-CB 3.37Å; E561-E565 PolarHBondContact O-N 2.88Å |
| 562 | E | 78.6 | Confident | 87.2 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -36.6 | -179.6 | -63.7 | 171.4 | 155.8 | 0 | 0 | 111.6 | A558 W559 E565 R566 | A558-E562 HydrophobicContact CB-CB 3.79Å; W559-E562 PolarHBondContact N-OE2 3.5Å; W559-E562 PolarHBondContact O-N 3.49Å; W559-E562 VanDerWaalsContact O-N 3.08Å; E562-E565 PolarHBondContact O-N 3.37Å; E562-R566 WeakPolarHBondContact O-CB 3.42Å; E562-R566 PolarHBondContact O-N 3.24Å |
| 563 | L | 85.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.9 | -173.6 | 74 | 0 | 0 | 0 | 111.2 | V556 A558 W559 E561 R566 L567 L745 M747 Y783 D785 | V556-L563 HydrophobicContact CB-CD1 4.42Å; V556-L563 HydrophobicContact CG1-CD1 4Å; V556-L563 WeakPolarHBondContact O-CD1 3.23Å; A558-L563 HydrophobicContact CB-CB 4.2Å; W559-L563 WeakPolarHBondContact O-CB 3.41Å; W559-L563 PolarHBondContact O-N 3.48Å; E561-L563 VanDerWaalsContact C-N 3.29Å; E561-L563 PolarHBondContact O-N 3.35Å; L563-R566 PolarHBondContact O-N 3.06Å; L563-L567 WeakPolarHBondContact O-CB 3.42Å; L563-L567 PolarHBondContact O-N 2.95Å; L563-L745 HydrophobicContact CD2-CD1 4Å; L563-M747 HydrophobicContact CD2-CG 4.22Å; L563-Y783 HydrophobicContact CD1-CD1 3.98Å; L563-Y783 HydrophobicContact CD1-CG 4.46Å; L563-Y783 HydrophobicContact CG-CD1 4.48Å; L563-D785 HydrophobicContact CD2-CB 3.84Å |
| 564 | V | 87.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.5 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | S560 E561 L567 A568 A597 L598 R601 M747 | S560-V564 VanDerWaalsContact O-CG2 3.27Å; S560-V564 WeakPolarHBondContact O-CG2 3.3Å; S560-V564 PolarHBondContact O-N 3.18Å; E561-V564 PolarHBondContact O-N 3.35Å; V564-L567 PolarHBondContact O-N 3.48Å; V564-A568 WeakPolarHBondContact O-CB 3.33Å; V564-A568 PolarHBondContact O-N 2.87Å; V564-A597 HydrophobicContact CG1-CB 4.3Å; V564-A597 HydrophobicContact CG2-CB 3.96Å; V564-L598 HydrophobicContact CG1-CB 4.23Å; V564-L598 HydrophobicContact CG1-CD1 4.32Å; V564-R601 HydrophobicContact CG1-CB 3.88Å; V564-R601 HydrophobicContact CG1-CG 4.29Å; V564-M747 HydrophobicContact CG2-CE 3.65Å; V564-M747 HydrophobicContact CG2-SD 3.83Å |
| 565 | E | 83.2 | Confident | 87.6 | Confident | 67 Ų | 67 | 37.4 Ų | 37.4 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60 | -46.7 | 174.1 | 173.4 | 163.4 | -163.4 | 0 | 0 | 111.6 | E561 E562 A568 A569 R601 | E561-E565 WeakPolarHBondContact O-CB 3.37Å; E561-E565 PolarHBondContact O-N 2.88Å; E562-E565 PolarHBondContact O-N 3.37Å; E565-A568 PolarHBondContact O-N 3.49Å; E565-A569 PolarHBondContact O-N 3.09Å; E565-R601 IonicContact OE1-CZ 3.61Å; E565-R601 IonicContact OE1-NH2 3.35Å; E565-R601 PolarHBondContact OE1-NH2 3.36Å; E565-R601 IonicContact OE2-CZ 2.74Å; E565-R601 IonicContact OE2-NH1 3.45Å; E565-R601 IonicContact OE2-NH2 3.6Å; E565-R601 PolarHBondContact OE2-NH2 3.35Å; E565-R601 VanDerWaalsContact OE2-NH2 3.15Å |
| 566 | R | 87 | Confident | 87.2 | Confident | 88 Ų | 88 | 39.1 Ų | 39.1 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.7 | 178.5 | 56.9 | -165.4 | -125.7 | 14 | 112.2 | V556 E562 L563 A568 A569 D570 Y783 | V556-R566 HydrophobicContact CG1-CG 3.87Å; E562-R566 WeakPolarHBondContact O-CB 3.42Å; E562-R566 PolarHBondContact O-N 3.24Å; L563-R566 PolarHBondContact O-N 3.06Å; R566-A568 VanDerWaalsContact C-N 3.33Å; R566-A568 PolarHBondContact O-N 2.94Å; R566-A569 PolarHBondContact O-N 2.73Å; R566-D570 IonicContact CZ-OD1 3.32Å; R566-D570 VanDerWaalsContact CZ-OD1 3.32Å; R566-D570 IonicContact CZ-OD2 3.79Å; R566-D570 VanDerWaalsContact NE-CG 3.33Å; R566-D570 IonicContact NE-OD1 3.36Å; R566-D570 PolarHBondContact NE-OD1 3.34Å; R566-D570 IonicContact NE-OD2 3.65Å; R566-D570 PolarHBondContact NE-OD2 3.09Å; R566-D570 VanDerWaalsContact NE-OD2 3.11Å; R566-D570 IonicContact NH2-OD1 2.61Å; R566-D570 PolarHBondContact NH2-OD1 3.24Å; R566-D570 IonicContact NH2-OD2 3.13Å; R566-D570 VanDerWaalsContact O-CG 3.3Å; R566-D570 PolarHBondContact O-N 3.38Å; R566-Y783 HydrophobicContact CG-CE1 4.48Å |
| 567 | L | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 176.3 | 174.4 | 59.3 | 0 | 0 | 0 | 112 | L563 V564 D570 M571 L598 F688 L690 A743 L745 Y783 | L563-L567 WeakPolarHBondContact O-CB 3.42Å; L563-L567 PolarHBondContact O-N 2.95Å; V564-L567 PolarHBondContact O-N 3.48Å; L567-D570 PolarHBondContact O-N 2.73Å; L567-M571 VanDerWaalsContact O-CB 3.32Å; L567-M571 WeakPolarHBondContact O-CB 3.27Å; L567-M571 PolarHBondContact O-N 3.37Å; L567-L598 HydrophobicContact CB-CD1 4.46Å; L567-L598 HydrophobicContact CD2-CD1 4.33Å; L567-L598 HydrophobicContact CD2-CD2 3.86Å; L567-L598 HydrophobicContact CG-CD1 4.09Å; L567-L598 HydrophobicContact CG-CD2 4.14Å; L567-F688 HydrophobicContact CD1-CE1 4.45Å; L567-F688 HydrophobicContact CD1-CZ 4.06Å; L567-L690 HydrophobicContact CD1-CD1 4.39Å; L567-L690 HydrophobicContact CD2-CD1 3.86Å; L567-A743 HydrophobicContact CD1-CB 4.03Å; L567-L745 HydrophobicContact CD2-CB 4.45Å; L567-L745 HydrophobicContact CD2-CD1 4.02Å; L567-L745 HydrophobicContact CD2-CD2 3.94Å; L567-L745 HydrophobicContact CD2-CG 4.37Å; L567-Y783 HydrophobicContact CB-CD1 3.85Å; L567-Y783 HydrophobicContact CB-CE1 3.88Å; L567-Y783 HydrophobicContact CB-CG 4.39Å; L567-Y783 HydrophobicContact CD1-CD1 4.24Å; L567-Y783 HydrophobicContact CD1-CD2 3.89Å; L567-Y783 HydrophobicContact CD1-CE1 3.99Å; L567-Y783 HydrophobicContact CD1-CE2 3.61Å; L567-Y783 HydrophobicContact CD1-CG 4.2Å |
| 568 | A | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V564 E565 R566 M571 Q572 L598 R601 L602 H606 | V564-A568 WeakPolarHBondContact O-CB 3.33Å; V564-A568 PolarHBondContact O-N 2.87Å; E565-A568 PolarHBondContact O-N 3.49Å; R566-A568 VanDerWaalsContact C-N 3.33Å; R566-A568 PolarHBondContact O-N 2.94Å; A568-M571 PolarHBondContact O-N 3.05Å; A568-Q572 WeakPolarHBondContact O-CB 3.29Å; A568-Q572 PolarHBondContact O-N 2.94Å; A568-L598 HydrophobicContact CB-CD1 3.6Å; A568-R601 HydrophobicContact CB-CB 4.49Å; A568-R601 HydrophobicContact CB-CG 3.88Å; A568-L602 HydrophobicContact CB-CD2 4.12Å; A568-H606 WeakPolarHBondContact CB-NE2 2.91Å |
| 569 | A | 86.4 | Confident | 87.4 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E565 R566 M571 Q572 E573 H606 | E565-A569 PolarHBondContact O-N 3.09Å; R566-A569 PolarHBondContact O-N 2.73Å; A569-M571 VanDerWaalsContact C-N 3.26Å; A569-M571 PolarHBondContact O-N 3.24Å; A569-Q572 PolarHBondContact O-N 3.46Å; A569-E573 PolarHBondContact O-N 2.63Å; A569-H606 PolarHBondContact N-CE1 3.05Å |
| 570 | D | 91.7 | Very high | 87.8 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -35.7 | 178.4 | -65.9 | -31.1 | 0 | 0 | 0 | 111.5 | R566 L567 A574 Y783 | R566-D570 IonicContact CZ-OD1 3.32Å; R566-D570 VanDerWaalsContact CZ-OD1 3.32Å; R566-D570 IonicContact CZ-OD2 3.79Å; R566-D570 VanDerWaalsContact NE-CG 3.33Å; R566-D570 IonicContact NE-OD1 3.36Å; R566-D570 PolarHBondContact NE-OD1 3.34Å; R566-D570 IonicContact NE-OD2 3.65Å; R566-D570 PolarHBondContact NE-OD2 3.09Å; R566-D570 VanDerWaalsContact NE-OD2 3.11Å; R566-D570 IonicContact NH2-OD1 2.61Å; R566-D570 PolarHBondContact NH2-OD1 3.24Å; R566-D570 IonicContact NH2-OD2 3.13Å; R566-D570 VanDerWaalsContact O-CG 3.3Å; R566-D570 PolarHBondContact O-N 3.38Å; L567-D570 PolarHBondContact O-N 2.73Å; D570-A574 WeakPolarHBondContact O-CB 3.26Å; D570-A574 PolarHBondContact O-N 3.12Å; D570-A574 VanDerWaalsContact O-N 3.08Å; D570-Y783 WeakPolarHBondContact CB-OH 3.39Å; D570-Y783 WeakPolarHBondContact OD2-CE1 3.44Å; D570-Y783 PolarHBondContact OD2-OH 3.39Å |
| 571 | M | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -42.1 | 175.8 | -171.1 | -176.7 | -69.2 | 0 | 0 | 112 | L567 A568 A569 A574 A575 L587 L589 L598 L602 F609 F688 L690 | L567-M571 VanDerWaalsContact O-CB 3.32Å; L567-M571 WeakPolarHBondContact O-CB 3.27Å; L567-M571 PolarHBondContact O-N 3.37Å; A568-M571 PolarHBondContact O-N 3.05Å; A569-M571 VanDerWaalsContact C-N 3.26Å; A569-M571 PolarHBondContact O-N 3.24Å; M571-A574 PolarHBondContact O-N 3.3Å; M571-A575 WeakPolarHBondContact O-CB 3.32Å; M571-A575 PolarHBondContact O-N 3.08Å; M571-L587 HydrophobicContact CE-CD1 4.11Å; M571-L587 HydrophobicContact CG-CD1 4.22Å; M571-L587 HydrophobicContact SD-CD1 3.81Å; M571-L587 HydrophobicContact SD-CD2 3.93Å; M571-L589 HydrophobicContact CE-CD2 4.35Å; M571-L598 HydrophobicContact CE-CD2 3.68Å; M571-L602 HydrophobicContact SD-CD1 3.94Å; M571-F609 HydrophobicContact CB-CE2 4.38Å; M571-F609 HydrophobicContact CG-CE2 3.82Å; M571-F609 HydrophobicContact CG-CZ 4.04Å; M571-F609 HydrophobicContact SD-CE2 4.18Å; M571-F609 HydrophobicContact SD-CZ 4.28Å; M571-F688 HydrophobicContact CB-CE2 4.31Å; M571-F688 HydrophobicContact CB-CZ 4.21Å; M571-F688 HydrophobicContact CE-CD1 3.98Å; M571-F688 HydrophobicContact CE-CE1 3.64Å; M571-F688 HydrophobicContact CE-CZ 4.31Å; M571-F688 HydrophobicContact CG-CD1 4.32Å; M571-F688 HydrophobicContact CG-CE1 4.35Å; M571-F688 HydrophobicContact CG-CG 4.4Å; M571-F688 HydrophobicContact CG-CZ 4.44Å; M571-L690 HydrophobicContact CE-CB 4.36Å; M571-L690 HydrophobicContact CE-CD2 4.26Å |
| 572 | Q | 90.5 | Very high | 88.6 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.5 | -177.2 | -175.6 | -33.2 | 0 | 0 | 111.1 | A568 A569 A574 A575 E576 H606 S608 F609 | A568-Q572 WeakPolarHBondContact O-CB 3.29Å; A568-Q572 PolarHBondContact O-N 2.94Å; A569-Q572 PolarHBondContact O-N 3.46Å; Q572-A574 VanDerWaalsContact C-N 3.3Å; Q572-A574 PolarHBondContact O-N 3.32Å; Q572-A575 WeakPolarHBondContact O-CB 3.38Å; Q572-A575 PolarHBondContact O-N 3.37Å; Q572-A575 VanDerWaalsContact O-N 3.09Å; Q572-E576 HydrophobicContact CG-CG 4.31Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.42Å; Q572-E576 PolarHBondContact NE2-OE1 3.15Å; Q572-E576 WeakPolarHBondContact O-CG 3.32Å; Q572-E576 PolarHBondContact O-N 3Å; Q572-H606 PolarHBondContact OE1-ND1 2.87Å; Q572-S608 PolarHBondContact NE2-OG 3.08Å; Q572-F609 HydrophobicContact CB-CD2 3.89Å; Q572-F609 HydrophobicContact CB-CE2 4.28Å; Q572-F609 HydrophobicContact CG-CD2 4.16Å |
| 573 | E | 88.8 | Confident | 89 | Confident | 121 Ų | 121 | 43 Ų | 43 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.5 | -43.8 | 177.4 | -173.6 | -176.6 | -179.1 | 0 | 0 | 111.1 | A569 A575 E576 A577 | A569-E573 PolarHBondContact O-N 2.63Å; E573-A575 VanDerWaalsContact C-N 3.34Å; E573-A575 PolarHBondContact O-N 2.94Å; E573-E576 PolarHBondContact O-N 3.43Å; E573-A577 WeakPolarHBondContact O-CB 3.36Å; E573-A577 PolarHBondContact O-N 3.05Å |
| 574 | A | 92.6 | Very high | 89.4 | Confident | 17 Ų | 17 | 45 Ų | 45 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D570 M571 Q572 A578 F585 F688 | D570-A574 WeakPolarHBondContact O-CB 3.26Å; D570-A574 PolarHBondContact O-N 3.12Å; D570-A574 VanDerWaalsContact O-N 3.08Å; M571-A574 PolarHBondContact O-N 3.3Å; Q572-A574 VanDerWaalsContact C-N 3.3Å; Q572-A574 PolarHBondContact O-N 3.32Å; A574-A578 WeakPolarHBondContact O-CB 3.48Å; A574-A578 PolarHBondContact O-N 3.28Å; A574-F585 HydrophobicContact CB-CE2 4.28Å; A574-F585 HydrophobicContact CB-CZ 4.41Å; A574-F688 HydrophobicContact CB-CD2 3.75Å; A574-F688 HydrophobicContact CB-CE2 4.29Å |
| 575 | A | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -49.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M571 Q572 E573 A577 A578 V579 F585 F609 P610 | M571-A575 WeakPolarHBondContact O-CB 3.32Å; M571-A575 PolarHBondContact O-N 3.08Å; Q572-A575 WeakPolarHBondContact O-CB 3.38Å; Q572-A575 PolarHBondContact O-N 3.37Å; Q572-A575 VanDerWaalsContact O-N 3.09Å; E573-A575 VanDerWaalsContact C-N 3.34Å; E573-A575 PolarHBondContact O-N 2.94Å; A575-A577 PolarHBondContact O-N 3.12Å; A575-A578 PolarHBondContact O-N 3.47Å; A575-V579 WeakPolarHBondContact O-CG2 3.49Å; A575-V579 PolarHBondContact O-N 3.48Å; A575-F585 HydrophobicContact CB-CD1 3.47Å; A575-F585 VanDerWaalsContact CB-CD1 3.47Å; A575-F585 HydrophobicContact CB-CD2 4.27Å; A575-F585 HydrophobicContact CB-CE1 3.48Å; A575-F585 VanDerWaalsContact CB-CE1 3.48Å; A575-F585 HydrophobicContact CB-CE2 4.23Å; A575-F585 HydrophobicContact CB-CG 3.89Å; A575-F585 HydrophobicContact CB-CZ 3.85Å; A575-F609 HydrophobicContact CB-CD1 4.46Å; A575-F609 HydrophobicContact CB-CE1 3.86Å; A575-F609 HydrophobicContact CB-CE2 4.02Å; A575-F609 HydrophobicContact CB-CZ 3.63Å; A575-P610 HydrophobicContact CB-CG 3.8Å |
| 576 | E | 87 | Confident | 90.4 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 178.8 | -68 | 175.1 | -174.9 | 0 | 0 | 112 | Q572 E573 V579 R580 | Q572-E576 HydrophobicContact CG-CG 4.31Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.42Å; Q572-E576 PolarHBondContact NE2-OE1 3.15Å; Q572-E576 WeakPolarHBondContact O-CG 3.32Å; Q572-E576 PolarHBondContact O-N 3Å; E573-E576 PolarHBondContact O-N 3.43Å; E576-V579 PolarHBondContact O-N 3.39Å; E576-R580 WeakPolarHBondContact O-CB 3.45Å; E576-R580 VanDerWaalsContact O-CG 3.29Å; E576-R580 WeakPolarHBondContact O-CG 3.21Å; E576-R580 PolarHBondContact O-N 2.73Å; E576-R580 IonicContact OE2-NH1 3.62Å |
| 577 | A | 89.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E573 A575 V579 R580 E581 | E573-A577 WeakPolarHBondContact O-CB 3.36Å; E573-A577 PolarHBondContact O-N 3.05Å; A575-A577 PolarHBondContact O-N 3.12Å; A577-V579 PolarHBondContact O-N 2.76Å; A577-R580 PolarHBondContact O-N 3.08Å; A577-E581 WeakPolarHBondContact O-CG 3.27Å; A577-E581 PolarHBondContact O-N 3.33Å |
| 578 | A | 91.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A574 A575 E581 G582 F585 H687 | A574-A578 WeakPolarHBondContact O-CB 3.48Å; A574-A578 PolarHBondContact O-N 3.28Å; A575-A578 PolarHBondContact O-N 3.47Å; A578-E581 PolarHBondContact O-N 2.9Å; A578-G582 PolarHBondContact O-N 3.45Å; A578-F585 HydrophobicContact CB-CB 4.2Å; A578-F585 HydrophobicContact CB-CD2 3.53Å; A578-F585 HydrophobicContact CB-CE2 4.35Å; A578-F585 HydrophobicContact CB-CG 4.31Å; A578-H687 HydrophobicContact CB-CB 4.36Å |
| 579 | V | 90.6 | Very high | 91.3 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | A575 E576 A577 G583 F585 P610 D613 | A575-V579 WeakPolarHBondContact O-CG2 3.49Å; A575-V579 PolarHBondContact O-N 3.48Å; E576-V579 PolarHBondContact O-N 3.39Å; A577-V579 PolarHBondContact O-N 2.76Å; V579-G583 WeakPolarHBondContact O-CA 3.47Å; V579-G583 PolarHBondContact O-N 2.81Å; V579-F585 HydrophobicContact CG2-CB 3.96Å; V579-P610 HydrophobicContact CB-CG 4.46Å; V579-P610 HydrophobicContact CG2-CB 4Å; V579-P610 HydrophobicContact CG2-CG 3.81Å; V579-D613 HydrophobicContact CG1-CB 3.99Å; V579-D613 HydrophobicContact CG2-CB 3.78Å |
| 580 | R | 87.6 | Confident | 91.5 | Very high | 174 Ų | 174 | 35.7 Ų | 35.7 | 66% | 0.657 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.6 | -39.2 | 173.4 | -75.5 | -171.7 | -56.1 | -100.3 | 0.6 | 112.8 | E576 A577 | E576-R580 WeakPolarHBondContact O-CB 3.45Å; E576-R580 VanDerWaalsContact O-CG 3.29Å; E576-R580 WeakPolarHBondContact O-CG 3.21Å; E576-R580 PolarHBondContact O-N 2.73Å; E576-R580 IonicContact OE2-NH1 3.62Å; A577-R580 PolarHBondContact O-N 3.08Å |
| 581 | E | 87.3 | Confident | 91 | Very high | 144 Ų | 144 | 35.8 Ų | 35.8 | 67% | 0.673 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -77.2 | -43 | -177.9 | -74.6 | 175.4 | -173.6 | 0 | 0 | 113.1 | A577 A578 R740 | A577-E581 WeakPolarHBondContact O-CG 3.27Å; A577-E581 PolarHBondContact O-N 3.33Å; A578-E581 PolarHBondContact O-N 2.9Å; E581-R740 IonicContact OE2-NH1 3.35Å; E581-R740 PolarHBondContact OE2-NH1 2.9Å |
| 582 | G | 83.2 | Confident | 90.2 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -132.3 | 2.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A578 I584 | A578-G582 PolarHBondContact O-N 3.45Å; G582-I584 PolarHBondContact O-N 3.22Å |
| 583 | G | 88 | Confident | 89.4 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 68.8 | 7.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V579 | V579-G583 WeakPolarHBondContact O-CA 3.47Å; V579-G583 PolarHBondContact O-N 2.81Å |
| 584 | I | 93.8 | Very high | 88.6 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 23% | 0.226 | 23% | 0.228 | C | C | . | . | trans | -150.5 | 142.7 | -174.6 | -161.9 | 165.7 | 0 | 0 | 0 | 111 | G582 D613 H615 H687 | G582-I584 PolarHBondContact O-N 3.22Å; I584-D613 CarbonylContact C-O 3.56Å; I584-D613 WeakPolarHBondContact CA-O 3.28Å; I584-H615 WeakPolarHBondContact CD1-CD2 3.42Å; I584-H615 WeakPolarHBondContact CD1-NE2 3.34Å; I584-H687 PolarHBondContact O-CE1 3.17Å | ||
| 585 | F | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132 | 173.5 | -179.3 | -122.6 | 0 | 0 | 0 | 110.6 | A574 A575 A578 V579 L587 F609 D613 T614 H615 H687 F688 | A574-F585 HydrophobicContact CB-CE2 4.28Å; A574-F585 HydrophobicContact CB-CZ 4.41Å; A575-F585 HydrophobicContact CB-CD1 3.47Å; A575-F585 VanDerWaalsContact CB-CD1 3.47Å; A575-F585 HydrophobicContact CB-CD2 4.27Å; A575-F585 HydrophobicContact CB-CE1 3.48Å; A575-F585 VanDerWaalsContact CB-CE1 3.48Å; A575-F585 HydrophobicContact CB-CE2 4.23Å; A575-F585 HydrophobicContact CB-CG 3.89Å; A575-F585 HydrophobicContact CB-CZ 3.85Å; A578-F585 HydrophobicContact CB-CB 4.2Å; A578-F585 HydrophobicContact CB-CD2 3.53Å; A578-F585 HydrophobicContact CB-CE2 4.35Å; A578-F585 HydrophobicContact CB-CG 4.31Å; V579-F585 HydrophobicContact CG2-CB 3.96Å; F585-L587 HydrophobicContact CD1-CB 4.1Å; F585-L587 HydrophobicContact CE1-CB 3.71Å; F585-L587 HydrophobicContact CE1-CD1 4.15Å; F585-L587 HydrophobicContact CE1-CD2 4.33Å; F585-L587 HydrophobicContact CE1-CG 4.27Å; F585-L587 HydrophobicContact CZ-CB 4.44Å; F585-L587 HydrophobicContact CZ-CD1 4.38Å; F585-F609 HydrophobicContact CD1-CE1 4.3Å; F585-F609 HydrophobicContact CD1-CZ 4.31Å; F585-F609 HydrophobicContact CE1-CE1 4.26Å; F585-F609 AromaticContact CE1-CZ 3.83Å; F585-F609 HydrophobicContact CE1-CZ 3.83Å; F585-D613 PolarHBondContact N-O 3.49Å; F585-T614 HydrophobicContact CD1-CG2 3.75Å; F585-T614 HydrophobicContact CE1-CG2 4.5Å; F585-T614 CarbonylContact O-C 3.59Å; F585-T614 WeakPolarHBondContact O-CA 3.38Å; F585-H615 PolarHBondContact O-N 3.28Å; F585-H687 HydrophobicContact CD2-CB 3.33Å; F585-H687 AromaticContact CD2-CG 3.82Å; F585-H687 HydrophobicContact CE2-CB 3.31Å; F585-H687 HydrophobicContact CZ-CB 4.45Å; F585-F688 HydrophobicContact CE2-CB 3.93Å; F585-F688 HydrophobicContact CZ-CB 3.51Å; F585-F688 HydrophobicContact CZ-CG 4.36Å |
| 586 | H | 96.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 105.9 | 179.7 | -71.4 | -83.9 | 0 | 0 | 0 | 108.8 | W617 L680 F686 H687 F688 | H586-W617 AromaticContact ND1-CE2 3.86Å; H586-W617 AromaticContact ND1-NE1 3.22Å; H586-W617 PolarHBondContact ND1-NE1 3.08Å; H586-L680 PolarHBondContact NE2-O 2.89Å; H586-F686 HydrophobicContact CB-CD1 4.07Å; H586-H687 AromaticContact CD2-CE1 3.9Å; H586-H687 AromaticContact CD2-ND1 3.81Å; H586-H687 PolarHBondContact N-ND1 3.22Å; H586-H687 PolarHBondContact O-N 2.83Å; H586-F688 PolarHBondContact O-N 3.04Å |
| 587 | L | 96.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.7 | -176.9 | 178.2 | 60.6 | 0 | 0 | 0 | 109.9 | M571 F585 L589 F609 W611 T614 H615 V616 W617 F688 | M571-L587 HydrophobicContact CE-CD1 4.11Å; M571-L587 HydrophobicContact CG-CD1 4.22Å; M571-L587 HydrophobicContact SD-CD1 3.81Å; M571-L587 HydrophobicContact SD-CD2 3.93Å; F585-L587 HydrophobicContact CD1-CB 4.1Å; F585-L587 HydrophobicContact CE1-CB 3.71Å; F585-L587 HydrophobicContact CE1-CD1 4.15Å; F585-L587 HydrophobicContact CE1-CD2 4.33Å; F585-L587 HydrophobicContact CE1-CG 4.27Å; F585-L587 HydrophobicContact CZ-CB 4.44Å; F585-L587 HydrophobicContact CZ-CD1 4.38Å; L587-L589 HydrophobicContact CD1-CD2 3.86Å; L587-L589 HydrophobicContact CD1-CG 4.45Å; L587-L589 HydrophobicContact CD2-CD1 4.15Å; L587-L589 HydrophobicContact CD2-CD2 4.05Å; L587-L589 HydrophobicContact CD2-CG 4.2Å; L587-L589 HydrophobicContact CG-CD1 4.4Å; L587-L589 HydrophobicContact CG-CD2 3.86Å; L587-L589 HydrophobicContact CG-CG 3.95Å; L587-F609 HydrophobicContact CD2-CZ 4.19Å; L587-W611 HydrophobicContact CD2-CH2 4.46Å; L587-W611 HydrophobicContact CD2-CZ3 4.4Å; L587-T614 HydrophobicContact CB-CG2 4.01Å; L587-T614 HydrophobicContact CD2-CG2 4.46Å; L587-H615 PolarHBondContact N-O 3Å; L587-V616 CarbonylContact O-C 3.52Å; L587-V616 WeakPolarHBondContact O-CA 3.14Å; L587-W617 PolarHBondContact O-N 3.15Å; L587-F688 WeakPolarHBondContact CA-O 3.21Å; L587-F688 HydrophobicContact CD1-CB 3.92Å; L587-F688 HydrophobicContact CD1-CD1 3.98Å; L587-F688 HydrophobicContact CD1-CG 4.28Å |
| 588 | A | 96.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | W617 V619 F686 F688 V689 L690 L731 | A588-W617 CarbonylContact C-O 3.6Å; A588-W617 VanDerWaalsContact CA-O 3.29Å; A588-W617 WeakPolarHBondContact CA-O 3.39Å; A588-W617 HydrophobicContact CB-CB 4.2Å; A588-V619 HydrophobicContact CB-CG2 3.72Å; A588-F686 HydrophobicContact CB-CD1 4.12Å; A588-F686 HydrophobicContact CB-CE1 4.3Å; A588-F686 HydrophobicContact CB-CG 4.44Å; A588-F688 PolarHBondContact N-O 3.02Å; A588-V689 HydrophobicContact CB-CB 4.37Å; A588-V689 HydrophobicContact CB-CG1 4.19Å; A588-V689 HydrophobicContact CB-CG2 4Å; A588-V689 WeakPolarHBondContact O-CA 3.37Å; A588-L690 PolarHBondContact O-N 2.98Å; A588-L731 HydrophobicContact CB-CD1 4.45Å |
| 589 | L | 95.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.3 | -175.8 | -62 | 173.7 | 0 | 0 | 0 | 111.3 | M571 L587 F599 V616 W617 V619 M636 L640 L690 | M571-L589 HydrophobicContact CE-CD2 4.35Å; L587-L589 HydrophobicContact CD1-CD2 3.86Å; L587-L589 HydrophobicContact CD1-CG 4.45Å; L587-L589 HydrophobicContact CD2-CD1 4.15Å; L587-L589 HydrophobicContact CD2-CD2 4.05Å; L587-L589 HydrophobicContact CD2-CG 4.2Å; L587-L589 HydrophobicContact CG-CD1 4.4Å; L587-L589 HydrophobicContact CG-CD2 3.86Å; L587-L589 HydrophobicContact CG-CG 3.95Å; L589-F599 HydrophobicContact CD1-CE1 3.83Å; L589-F599 HydrophobicContact CD1-CZ 4.25Å; L589-F599 HydrophobicContact CD2-CE1 4.32Å; L589-F599 HydrophobicContact CG-CE1 4.47Å; L589-V616 HydrophobicContact CD1-CG1 3.98Å; L589-W617 PolarHBondContact N-O 2.8Å; L589-V619 VanDerWaalsContact C-CG2 3.47Å; L589-V619 PolarHBondContact O-N 3.01Å; L589-M636 HydrophobicContact CB-CE 3.64Å; L589-M636 HydrophobicContact CD1-CE 4.18Å; L589-M636 HydrophobicContact CD1-SD 4.12Å; L589-L640 HydrophobicContact CD1-CD2 3.82Å; L589-L690 HydrophobicContact CD2-CB 3.9Å; L589-L690 HydrophobicContact CD2-CD2 3.96Å |
| 590 | S | 91 | Very high | 86.7 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | trans | -63.7 | 147.4 | 167.2 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | P595 L690 | S590-P595 WeakPolarHBondContact O-CG 3.05Å; S590-L690 WeakPolarHBondContact CB-O 3.47Å; S590-L690 PolarHBondContact N-O 2.99Å | ||
| 591 | G | 80.7 | Confident | 86.4 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 12% | 0.124 | 22% | 0.223 | C | C | . | . | trans | -78.6 | -168.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D620 N632 | G591-D620 PolarHBondContact N-OD1 3.3Å; G591-N632 VanDerWaalsContact CA-CG 3.49Å | ||
| 592 | G | 78.5 | Confident | 86.3 | Confident | 31 Ų | 31 | 29.5 Ų | 29.5 | 32% | 0.32 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 91.4 | -172.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | P595 N632 | G592-P595 WeakPolarHBondContact O-CD 3.25Å; G592-N632 PolarHBondContact N-OD1 3.4Å |
| 593 | S | 74.1 | Confident | 85.9 | Confident | 94 Ų | 94 | 27.9 Ų | 27.9 | 66% | 0.657 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -83.4 | -24.5 | -177.4 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | L596 | S593-L596 WeakPolarHBondContact O-CB 3.39Å; S593-L596 WeakPolarHBondContact O-CG 3.34Å; S593-L596 PolarHBondContact O-N 2.94Å |
| 594 | T | 71.7 | Confident | 84.8 | Confident | 40 Ų | 40 | 28 Ų | 28 | 25% | 0.245 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -44.3 | -176.8 | -54.2 | 0 | 0 | 0 | 0 | 114.5 | L596 L745 | T594-L596 VanDerWaalsContact C-N 3.34Å; T594-L596 PolarHBondContact O-N 3.21Å; T594-L745 HydrophobicContact CG2-CB 4.18Å; T594-L745 HydrophobicContact CG2-CD2 3.89Å; T594-L745 HydrophobicContact CG2-CG 3.82Å |
| 595 | P | 82.5 | Confident | 83.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.6 | -178.3 | 34.5 | -37.4 | 0 | 0 | 0 | 114.3 | S590 G592 A597 L598 F599 L690 | S590-P595 WeakPolarHBondContact O-CG 3.05Å; G592-P595 WeakPolarHBondContact O-CD 3.25Å; P595-A597 VanDerWaalsContact C-N 3.33Å; P595-A597 PolarHBondContact O-N 2.81Å; P595-L598 WeakPolarHBondContact O-CB 3.44Å; P595-L598 PolarHBondContact O-N 3.43Å; P595-L598 VanDerWaalsContact O-N 3.08Å; P595-F599 HydrophobicContact CB-CD1 4.42Å; P595-F599 HydrophobicContact CB-CE1 3.81Å; P595-F599 HydrophobicContact CB-CE2 4.23Å; P595-F599 HydrophobicContact CB-CZ 3.7Å; P595-F599 HydrophobicContact CG-CE1 4.39Å; P595-F599 HydrophobicContact CG-CE2 4.04Å; P595-F599 HydrophobicContact CG-CZ 3.77Å; P595-F599 WeakPolarHBondContact O-CD1 3.31Å; P595-F599 WeakPolarHBondContact O-CG 3.45Å; P595-F599 PolarHBondContact O-N 3.25Å; P595-L690 HydrophobicContact CB-CD2 3.98Å |
| 596 | L | 83.9 | Confident | 82.1 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -38.6 | -174.4 | -69.6 | -179.8 | 0 | 0 | 0 | 113.3 | S593 T594 L598 F599 R600 H639 | S593-L596 WeakPolarHBondContact O-CB 3.39Å; S593-L596 WeakPolarHBondContact O-CG 3.34Å; S593-L596 PolarHBondContact O-N 2.94Å; T594-L596 VanDerWaalsContact C-N 3.34Å; T594-L596 PolarHBondContact O-N 3.21Å; L596-L598 VanDerWaalsContact C-N 3.29Å; L596-L598 PolarHBondContact O-N 3Å; L596-F599 HydrophobicContact CD2-CD2 4.15Å; L596-F599 PolarHBondContact O-N 3.03Å; L596-R600 WeakPolarHBondContact O-CG 3.32Å; L596-R600 PolarHBondContact O-N 3.38Å; L596-R600 VanDerWaalsContact O-N 3.14Å; L596-H639 HydrophobicContact CD2-CB 4.12Å; L596-H639 VanDerWaalsContact CD2-CD2 3.44Å; L596-H639 WeakPolarHBondContact CD2-CD2 3.41Å |
| 597 | A | 80.8 | Confident | 80.4 | Confident | 45 Ų | 45 | 35.2 Ų | 35.2 | 37% | 0.372 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | V564 P595 R600 R601 | V564-A597 HydrophobicContact CG1-CB 4.3Å; V564-A597 HydrophobicContact CG2-CB 3.96Å; P595-A597 VanDerWaalsContact C-N 3.33Å; P595-A597 PolarHBondContact O-N 2.81Å; A597-R600 PolarHBondContact O-N 3.07Å; A597-R601 PolarHBondContact O-N 3.46Å |
| 598 | L | 87.8 | Confident | 79 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 175.8 | 179.2 | 68.1 | 0 | 0 | 0 | 112.2 | V564 L567 A568 M571 P595 L596 R600 R601 L602 L690 | V564-L598 HydrophobicContact CG1-CB 4.23Å; V564-L598 HydrophobicContact CG1-CD1 4.32Å; L567-L598 HydrophobicContact CB-CD1 4.46Å; L567-L598 HydrophobicContact CD2-CD1 4.33Å; L567-L598 HydrophobicContact CD2-CD2 3.86Å; L567-L598 HydrophobicContact CG-CD1 4.09Å; L567-L598 HydrophobicContact CG-CD2 4.14Å; A568-L598 HydrophobicContact CB-CD1 3.6Å; M571-L598 HydrophobicContact CE-CD2 3.68Å; P595-L598 WeakPolarHBondContact O-CB 3.44Å; P595-L598 PolarHBondContact O-N 3.43Å; P595-L598 VanDerWaalsContact O-N 3.08Å; L596-L598 VanDerWaalsContact C-N 3.29Å; L596-L598 PolarHBondContact O-N 3Å; L598-R600 VanDerWaalsContact C-N 3.31Å; L598-R600 PolarHBondContact O-N 3.37Å; L598-R601 WeakPolarHBondContact O-CB 3.39Å; L598-R601 PolarHBondContact O-N 2.84Å; L598-R601 VanDerWaalsContact O-N 3.11Å; L598-L602 HydrophobicContact CD1-CD1 4.38Å; L598-L602 HydrophobicContact CD1-CG 4.26Å; L598-L602 HydrophobicContact CG-CD1 4.04Å; L598-L602 HydrophobicContact CG-CG 4.35Å; L598-L602 WeakPolarHBondContact O-CG 3.46Å; L598-L602 PolarHBondContact O-N 3.27Å; L598-L690 HydrophobicContact CD2-CD2 3.35Å |
| 599 | F | 88.8 | Confident | 78.4 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 177.6 | -64.3 | -13.3 | 0 | 0 | 0 | 111.5 | L589 P595 L596 R601 L602 V603 M636 H639 L640 | L589-F599 HydrophobicContact CD1-CE1 3.83Å; L589-F599 HydrophobicContact CD1-CZ 4.25Å; L589-F599 HydrophobicContact CD2-CE1 4.32Å; L589-F599 HydrophobicContact CG-CE1 4.47Å; P595-F599 HydrophobicContact CB-CD1 4.42Å; P595-F599 HydrophobicContact CB-CE1 3.81Å; P595-F599 HydrophobicContact CB-CE2 4.23Å; P595-F599 HydrophobicContact CB-CZ 3.7Å; P595-F599 HydrophobicContact CG-CE1 4.39Å; P595-F599 HydrophobicContact CG-CE2 4.04Å; P595-F599 HydrophobicContact CG-CZ 3.77Å; P595-F599 WeakPolarHBondContact O-CD1 3.31Å; P595-F599 WeakPolarHBondContact O-CG 3.45Å; P595-F599 PolarHBondContact O-N 3.25Å; L596-F599 HydrophobicContact CD2-CD2 4.15Å; L596-F599 PolarHBondContact O-N 3.03Å; F599-R601 VanDerWaalsContact C-N 3.34Å; F599-R601 PolarHBondContact O-N 3.09Å; F599-L602 PolarHBondContact O-N 2.89Å; F599-V603 VanDerWaalsContact O-CG2 3.31Å; F599-V603 WeakPolarHBondContact O-CG2 3.42Å; F599-V603 PolarHBondContact O-N 3.27Å; F599-M636 HydrophobicContact CE2-CB 4.39Å; F599-M636 HydrophobicContact CE2-CG 4.26Å; F599-M636 HydrophobicContact CZ-CG 4.34Å; F599-H639 HydrophobicContact CB-CB 4.34Å; F599-H639 HydrophobicContact CD2-CB 4.16Å; F599-L640 HydrophobicContact CB-CB 4.1Å; F599-L640 HydrophobicContact CD1-CB 4.47Å; F599-L640 HydrophobicContact CD1-CD2 3.93Å; F599-L640 HydrophobicContact CD2-CB 4.36Å; F599-L640 HydrophobicContact CE1-CD2 4.19Å; F599-L640 HydrophobicContact CG-CB 4.07Å; F599-L640 HydrophobicContact CG-CD2 4.36Å |
| 600 | R | 80.1 | Confident | 78.1 | Confident | 144 Ų | 144 | 38 Ų | 38 | 54% | 0.543 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.3 | -68.2 | 176.6 | -175.1 | 177.8 | 1.7 | 111.7 | L596 A597 L598 V603 L604 | L596-R600 WeakPolarHBondContact O-CG 3.32Å; L596-R600 PolarHBondContact O-N 3.38Å; L596-R600 VanDerWaalsContact O-N 3.14Å; A597-R600 PolarHBondContact O-N 3.07Å; L598-R600 VanDerWaalsContact C-N 3.31Å; L598-R600 PolarHBondContact O-N 3.37Å; R600-V603 PolarHBondContact O-N 2.84Å; R600-L604 VanDerWaalsContact O-CB 3.31Å; R600-L604 WeakPolarHBondContact O-CB 3.31Å; R600-L604 VanDerWaalsContact O-CG 3.25Å; R600-L604 WeakPolarHBondContact O-CG 3.25Å; R600-L604 PolarHBondContact O-N 2.96Å |
| 601 | R | 81.8 | Confident | 78.1 | Confident | 57 Ų | 57 | 38.4 Ų | 38.4 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 177.4 | -171.5 | 74.8 | -168 | -172.4 | -6.1 | 111.4 | V564 E565 A568 A597 L598 F599 V603 L604 H605 | V564-R601 HydrophobicContact CG1-CB 3.88Å; V564-R601 HydrophobicContact CG1-CG 4.29Å; E565-R601 IonicContact OE1-CZ 3.61Å; E565-R601 IonicContact OE1-NH2 3.35Å; E565-R601 PolarHBondContact OE1-NH2 3.36Å; E565-R601 IonicContact OE2-CZ 2.74Å; E565-R601 IonicContact OE2-NH1 3.45Å; E565-R601 IonicContact OE2-NH2 3.6Å; E565-R601 PolarHBondContact OE2-NH2 3.35Å; E565-R601 VanDerWaalsContact OE2-NH2 3.15Å; A568-R601 HydrophobicContact CB-CB 4.49Å; A568-R601 HydrophobicContact CB-CG 3.88Å; A597-R601 PolarHBondContact O-N 3.46Å; L598-R601 WeakPolarHBondContact O-CB 3.39Å; L598-R601 PolarHBondContact O-N 2.84Å; L598-R601 VanDerWaalsContact O-N 3.11Å; F599-R601 VanDerWaalsContact C-N 3.34Å; F599-R601 PolarHBondContact O-N 3.09Å; R601-V603 VanDerWaalsContact C-N 3.29Å; R601-V603 PolarHBondContact O-N 3.43Å; R601-L604 PolarHBondContact O-N 3.47Å; R601-H605 WeakPolarHBondContact O-CB 3.42Å; R601-H605 PolarHBondContact O-N 2.94Å |
| 602 | L | 84.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 178.5 | -72.9 | 170.4 | 0 | 0 | 0 | 111.7 | A568 M571 L598 F599 H606 F609 W611 L640 | A568-L602 HydrophobicContact CB-CD2 4.12Å; M571-L602 HydrophobicContact SD-CD1 3.94Å; L598-L602 HydrophobicContact CD1-CD1 4.38Å; L598-L602 HydrophobicContact CD1-CG 4.26Å; L598-L602 HydrophobicContact CG-CD1 4.04Å; L598-L602 HydrophobicContact CG-CG 4.35Å; L598-L602 WeakPolarHBondContact O-CG 3.46Å; L598-L602 PolarHBondContact O-N 3.27Å; F599-L602 PolarHBondContact O-N 2.89Å; L602-H606 HydrophobicContact CD2-CB 4.09Å; L602-H606 PolarHBondContact O-N 3.45Å; L602-F609 HydrophobicContact CD2-CD2 3.82Å; L602-F609 HydrophobicContact CD2-CE2 3.98Å; L602-W611 HydrophobicContact CB-CZ2 4.34Å; L602-W611 HydrophobicContact CD1-CH2 4.47Å; L602-W611 HydrophobicContact CD1-CZ2 4.47Å; L602-L640 HydrophobicContact CB-CD1 4.33Å |
| 603 | V | 76.1 | Confident | 79.3 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -41.3 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 112.7 | F599 R600 R601 F607 L640 H643 V644 | F599-V603 VanDerWaalsContact O-CG2 3.31Å; F599-V603 WeakPolarHBondContact O-CG2 3.42Å; F599-V603 PolarHBondContact O-N 3.27Å; R600-V603 PolarHBondContact O-N 2.84Å; R601-V603 VanDerWaalsContact C-N 3.29Å; R601-V603 PolarHBondContact O-N 3.43Å; V603-F607 WeakPolarHBondContact O-CE1 3.33Å; V603-L640 HydrophobicContact CG2-CD1 3.89Å; V603-H643 HydrophobicContact CB-CB 4.43Å; V603-H643 HydrophobicContact CG1-CB 3.65Å; V603-H643 HydrophobicContact CG2-CB 3.8Å; V603-V644 HydrophobicContact CG2-CG1 3.97Å |
| 604 | L | 64 | Low | 80.3 | Confident | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -91.8 | -21.2 | -169.9 | -68 | 174.7 | 0 | 0 | 0 | 114.7 | F498 R600 R601 F607 | F498-L604 HydrophobicContact CD1-CD2 3.9Å; F498-L604 HydrophobicContact CE1-CD2 3.64Å; R600-L604 VanDerWaalsContact O-CB 3.31Å; R600-L604 WeakPolarHBondContact O-CB 3.31Å; R600-L604 VanDerWaalsContact O-CG 3.25Å; R600-L604 WeakPolarHBondContact O-CG 3.25Å; R600-L604 PolarHBondContact O-N 2.96Å; R601-L604 PolarHBondContact O-N 3.47Å; L604-F607 VanDerWaalsContact C-CZ 3.47Å; L604-F607 VanDerWaalsContact O-CE2 3.27Å; L604-F607 WeakPolarHBondContact O-CE2 3.32Å; L604-F607 WeakPolarHBondContact O-CZ 3.22Å |
| 605 | H | 62.6 | Low | 81.5 | Confident | 85 Ų | 85 | 41 Ų | 41 | 39% | 0.394 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -135.8 | -13.2 | -168 | -63.2 | -75.6 | 0 | 0 | 0 | 114.4 | R601 | R601-H605 WeakPolarHBondContact O-CB 3.42Å; R601-H605 PolarHBondContact O-N 2.94Å |
| 606 | H | 69.6 | Low | 82.2 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | trans | -118.3 | 58.2 | -178.5 | -64.3 | -95.8 | 0 | 0 | 0 | 111.2 | A568 A569 Q572 L602 S608 F609 | A568-H606 WeakPolarHBondContact CB-NE2 2.91Å; A569-H606 PolarHBondContact N-CE1 3.05Å; Q572-H606 PolarHBondContact OE1-ND1 2.87Å; L602-H606 HydrophobicContact CD2-CB 4.09Å; L602-H606 PolarHBondContact O-N 3.45Å; H606-S608 PolarHBondContact O-N 3.43Å; H606-F609 WeakPolarHBondContact O-CB 3.28Å; H606-F609 PolarHBondContact O-N 2.89Å | ||
| 607 | F | 62.1 | Low | 82.8 | Confident | 95 Ų | 95 | 39.1 Ų | 39.1 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.3 | -174.3 | -54 | -76 | 0 | 0 | 0 | 114.5 | I501 A527 V603 L604 F609 | I501-F607 HydrophobicContact CB-CE2 4.44Å; I501-F607 HydrophobicContact CB-CZ 4.48Å; I501-F607 HydrophobicContact CG1-CE2 4.35Å; I501-F607 HydrophobicContact CG1-CZ 3.98Å; A527-F607 HydrophobicContact CB-CB 3.63Å; V603-F607 WeakPolarHBondContact O-CE1 3.33Å; L604-F607 VanDerWaalsContact C-CZ 3.47Å; L604-F607 VanDerWaalsContact O-CE2 3.27Å; L604-F607 WeakPolarHBondContact O-CE2 3.32Å; L604-F607 WeakPolarHBondContact O-CZ 3.22Å; F607-F609 VanDerWaalsContact C-N 3.34Å |
| 608 | S | 67.4 | Low | 83.5 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 0.1 | 178.8 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | Q572 H606 | Q572-S608 PolarHBondContact NE2-OG 3.08Å; H606-S608 PolarHBondContact O-N 3.43Å |
| 609 | F | 83.6 | Confident | 83.9 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -57.6 | 128 | 175.1 | -161.4 | -74 | 0 | 0 | 0 | 109.5 | M571 Q572 A575 F585 L587 L602 H606 F607 W611 T614 | M571-F609 HydrophobicContact CB-CE2 4.38Å; M571-F609 HydrophobicContact CG-CE2 3.82Å; M571-F609 HydrophobicContact CG-CZ 4.04Å; M571-F609 HydrophobicContact SD-CE2 4.18Å; M571-F609 HydrophobicContact SD-CZ 4.28Å; Q572-F609 HydrophobicContact CB-CD2 3.89Å; Q572-F609 HydrophobicContact CB-CE2 4.28Å; Q572-F609 HydrophobicContact CG-CD2 4.16Å; A575-F609 HydrophobicContact CB-CD1 4.46Å; A575-F609 HydrophobicContact CB-CE1 3.86Å; A575-F609 HydrophobicContact CB-CE2 4.02Å; A575-F609 HydrophobicContact CB-CZ 3.63Å; F585-F609 HydrophobicContact CD1-CE1 4.3Å; F585-F609 HydrophobicContact CD1-CZ 4.31Å; F585-F609 HydrophobicContact CE1-CE1 4.26Å; F585-F609 AromaticContact CE1-CZ 3.83Å; F585-F609 HydrophobicContact CE1-CZ 3.83Å; L587-F609 HydrophobicContact CD2-CZ 4.19Å; L602-F609 HydrophobicContact CD2-CD2 3.82Å; L602-F609 HydrophobicContact CD2-CE2 3.98Å; H606-F609 WeakPolarHBondContact O-CB 3.28Å; H606-F609 PolarHBondContact O-N 2.89Å; F607-F609 VanDerWaalsContact C-N 3.34Å; F609-W611 HydrophobicContact CB-CZ2 4.44Å; F609-W611 AromaticContact CD1-CD2 3.73Å; F609-W611 HydrophobicContact CD1-CD2 3.73Å; F609-W611 AromaticContact CD1-CE2 3.57Å; F609-W611 HydrophobicContact CD1-CE3 4.07Å; F609-W611 HydrophobicContact CD1-CG 4.19Å; F609-W611 HydrophobicContact CD1-CH2 4.1Å; F609-W611 AromaticContact CD1-CZ2 3.78Å; F609-W611 HydrophobicContact CD1-CZ2 3.78Å; F609-W611 HydrophobicContact CD1-CZ3 4.24Å; F609-W611 AromaticContact CD1-NE1 3.96Å; F609-W611 HydrophobicContact CE1-CD2 4.32Å; F609-W611 HydrophobicContact CE1-CE3 4.2Å; F609-W611 HydrophobicContact CE1-CH2 4.01Å; F609-W611 HydrophobicContact CE1-CZ2 4.15Å; F609-W611 HydrophobicContact CE1-CZ3 4.04Å; F609-W611 HydrophobicContact CG-CD2 4.49Å; F609-W611 AromaticContact CG-CE2 3.91Å; F609-W611 HydrophobicContact CG-CZ2 4.01Å; F609-W611 AromaticContact CG-NE1 4Å; F609-W611 HydrophobicContact CZ-CH2 4.46Å; F609-W611 VanDerWaalsContact O-CD1 3.24Å; F609-W611 PolarHBondContact O-N 3.33Å; F609-T614 HydrophobicContact CE1-CG2 4.22Å |
| 610 | P | 88.2 | Confident | 84.2 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | trans | -77 | 63.6 | -170.5 | 32.1 | -37.3 | 0 | 0 | 0 | 112.2 | A575 V579 R612 D613 T614 | A575-P610 HydrophobicContact CB-CG 3.8Å; V579-P610 HydrophobicContact CB-CG 4.46Å; V579-P610 HydrophobicContact CG2-CB 4Å; V579-P610 HydrophobicContact CG2-CG 3.81Å; P610-R612 PolarHBondContact O-N 3.45Å; P610-D613 PolarHBondContact O-N 3.47Å; P610-D613 VanDerWaalsContact O-N 3.11Å; P610-T614 WeakPolarHBondContact O-CB 3.3Å; P610-T614 PolarHBondContact O-N 3.19Å; P610-T614 VanDerWaalsContact O-N 3.09Å; P610-T614 PolarHBondContact O-OG1 2.96Å | ||
| 611 | W | 92.6 | Very high | 84.9 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 6% | 0.064 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.7 | -175.8 | -71.2 | 111.6 | 0 | 0 | 0 | 113.7 | L587 L602 F609 D613 T614 V616 L640 V644 R645 | L587-W611 HydrophobicContact CD2-CH2 4.46Å; L587-W611 HydrophobicContact CD2-CZ3 4.4Å; L602-W611 HydrophobicContact CB-CZ2 4.34Å; L602-W611 HydrophobicContact CD1-CH2 4.47Å; L602-W611 HydrophobicContact CD1-CZ2 4.47Å; F609-W611 HydrophobicContact CB-CZ2 4.44Å; F609-W611 AromaticContact CD1-CD2 3.73Å; F609-W611 HydrophobicContact CD1-CD2 3.73Å; F609-W611 AromaticContact CD1-CE2 3.57Å; F609-W611 HydrophobicContact CD1-CE3 4.07Å; F609-W611 HydrophobicContact CD1-CG 4.19Å; F609-W611 HydrophobicContact CD1-CH2 4.1Å; F609-W611 AromaticContact CD1-CZ2 3.78Å; F609-W611 HydrophobicContact CD1-CZ2 3.78Å; F609-W611 HydrophobicContact CD1-CZ3 4.24Å; F609-W611 AromaticContact CD1-NE1 3.96Å; F609-W611 HydrophobicContact CE1-CD2 4.32Å; F609-W611 HydrophobicContact CE1-CE3 4.2Å; F609-W611 HydrophobicContact CE1-CH2 4.01Å; F609-W611 HydrophobicContact CE1-CZ2 4.15Å; F609-W611 HydrophobicContact CE1-CZ3 4.04Å; F609-W611 HydrophobicContact CG-CD2 4.49Å; F609-W611 AromaticContact CG-CE2 3.91Å; F609-W611 HydrophobicContact CG-CZ2 4.01Å; F609-W611 AromaticContact CG-NE1 4Å; F609-W611 HydrophobicContact CZ-CH2 4.46Å; F609-W611 VanDerWaalsContact O-CD1 3.24Å; F609-W611 PolarHBondContact O-N 3.33Å; W611-D613 VanDerWaalsContact C-N 3.28Å; W611-D613 PolarHBondContact O-N 2.93Å; W611-T614 HydrophobicContact CE3-CG2 4.32Å; W611-T614 HydrophobicContact CZ3-CG2 4.33Å; W611-T614 PolarHBondContact O-N 2.95Å; W611-V616 HydrophobicContact CZ3-CG2 3.98Å; W611-L640 HydrophobicContact CH2-CD1 3.86Å; W611-L640 HydrophobicContact CH2-CD2 3.94Å; W611-L640 HydrophobicContact CH2-CG 4.22Å; W611-L640 HydrophobicContact CZ2-CD1 3.84Å; W611-L640 HydrophobicContact CZ3-CD2 4.45Å; W611-V644 HydrophobicContact CD2-CB 3.81Å; W611-V644 HydrophobicContact CD2-CG1 4.18Å; W611-V644 HydrophobicContact CD2-CG2 3.78Å; W611-V644 HydrophobicContact CE3-CG2 4.01Å; W611-V644 HydrophobicContact CG-CB 3.8Å; W611-V644 HydrophobicContact CG-CG1 4.42Å; W611-V644 HydrophobicContact CG-CG2 4.13Å; W611-V644 HydrophobicContact CZ2-CG1 4.03Å; W611-V644 HydrophobicContact CZ3-CG2 4.48Å; W611-R645 CarbonylContact C-O 3.55Å; W611-R645 WeakPolarHBondContact CB-O 3.44Å |
| 612 | R | 89.1 | Confident | 85.4 | Confident | 149 Ų | 149 | 31.4 Ų | 31.4 | 56% | 0.562 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -35.2 | 177.5 | -175 | 175.5 | 172.7 | 177.7 | -6.5 | 112.8 | E526 P610 P647 N650 | E526-R612 IonicContact OE1-NH1 3.54Å; P610-R612 PolarHBondContact O-N 3.45Å; R612-P647 HydrophobicContact CG-CG 4.43Å; R612-N650 PolarHBondContact O-ND2 3.32Å |
| 613 | D | 93.4 | Very high | 85.9 | Confident | 63 Ų | 63 | 32 Ų | 32 | 34% | 0.337 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -104.7 | 5.2 | -177.4 | -52.4 | -59.4 | 0 | 0 | 0 | 111.7 | V579 I584 F585 P610 W611 | V579-D613 HydrophobicContact CG1-CB 3.99Å; V579-D613 HydrophobicContact CG2-CB 3.78Å; I584-D613 CarbonylContact C-O 3.56Å; I584-D613 WeakPolarHBondContact CA-O 3.28Å; F585-D613 PolarHBondContact N-O 3.49Å; P610-D613 PolarHBondContact O-N 3.47Å; P610-D613 VanDerWaalsContact O-N 3.11Å; W611-D613 VanDerWaalsContact C-N 3.28Å; W611-D613 PolarHBondContact O-N 2.93Å |
| 614 | T | 96.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.1 | 178.6 | -62 | 0 | 0 | 0 | 0 | 110.8 | F585 L587 F609 P610 W611 V616 I646 N650 | F585-T614 HydrophobicContact CD1-CG2 3.75Å; F585-T614 HydrophobicContact CE1-CG2 4.5Å; F585-T614 CarbonylContact O-C 3.59Å; F585-T614 WeakPolarHBondContact O-CA 3.38Å; L587-T614 HydrophobicContact CB-CG2 4.01Å; L587-T614 HydrophobicContact CD2-CG2 4.46Å; F609-T614 HydrophobicContact CE1-CG2 4.22Å; P610-T614 WeakPolarHBondContact O-CB 3.3Å; P610-T614 PolarHBondContact O-N 3.19Å; P610-T614 VanDerWaalsContact O-N 3.09Å; P610-T614 PolarHBondContact O-OG1 2.96Å; W611-T614 HydrophobicContact CE3-CG2 4.32Å; W611-T614 HydrophobicContact CZ3-CG2 4.33Å; W611-T614 PolarHBondContact O-N 2.95Å; T614-V616 HydrophobicContact CG2-CG2 4.07Å; T614-I646 WeakPolarHBondContact O-CD1 3.43Å; T614-N650 VanDerWaalsContact O-CB 3.32Å; T614-N650 WeakPolarHBondContact O-CB 3.18Å; T614-N650 PolarHBondContact O-ND2 3.08Å |
| 615 | H | 97 | Very high | 88.1 | Confident | 19 Ų | 19 | 31.1 Ų | 31.1 | 9% | 0.088 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.4 | 164.7 | -72.1 | -108.3 | 0 | 0 | 0 | 110.2 | I584 F585 L587 N650 H652 | I584-H615 WeakPolarHBondContact CD1-CD2 3.42Å; I584-H615 WeakPolarHBondContact CD1-NE2 3.34Å; F585-H615 PolarHBondContact O-N 3.28Å; L587-H615 PolarHBondContact N-O 3Å; H615-N650 CarbonylContact C-O 3.58Å; H615-N650 VanDerWaalsContact CA-O 3.3Å; H615-N650 WeakPolarHBondContact CA-O 3.47Å; H615-N650 PolarHBondContact CE1-OD1 3.14Å; H615-N650 PolarHBondContact NE2-OD1 3.47Å; H615-N650 VanDerWaalsContact NE2-OD1 3.13Å; H615-H652 AromaticContact CE1-NE2 3.85Å; H615-H652 AromaticContact CG-NE2 3.7Å; H615-H652 AromaticContact ND1-CD2 3.89Å; H615-H652 AromaticContact ND1-CE1 3.72Å; H615-H652 AromaticContact ND1-NE2 2.83Å; H615-H652 PolarHBondContact ND1-NE2 2.91Å |
| 616 | V | 96.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.6 | 179.2 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | L587 L589 W611 T614 M636 L641 I646 N650 H652 | L587-V616 CarbonylContact O-C 3.52Å; L587-V616 WeakPolarHBondContact O-CA 3.14Å; L589-V616 HydrophobicContact CD1-CG1 3.98Å; W611-V616 HydrophobicContact CZ3-CG2 3.98Å; T614-V616 HydrophobicContact CG2-CG2 4.07Å; V616-M636 HydrophobicContact CG1-SD 3.67Å; V616-L641 HydrophobicContact CB-CD2 4.43Å; V616-L641 HydrophobicContact CG1-CD2 4.29Å; V616-L641 HydrophobicContact CG2-CD2 4.4Å; V616-I646 HydrophobicContact CB-CD1 4.01Å; V616-I646 HydrophobicContact CG2-CD1 3.46Å; V616-I646 VanDerWaalsContact CG2-CD1 3.46Å; V616-N650 PolarHBondContact N-O 2.94Å; V616-H652 PolarHBondContact O-N 3.49Å |
| 617 | W | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.8 | -178.6 | -58.1 | 79.3 | 0 | 0 | 0 | 109.7 | H586 L587 A588 L589 H652 Y673 E676 I677 L680 V681 F686 | H586-W617 AromaticContact ND1-CE2 3.86Å; H586-W617 AromaticContact ND1-NE1 3.22Å; H586-W617 PolarHBondContact ND1-NE1 3.08Å; L587-W617 PolarHBondContact O-N 3.15Å; A588-W617 CarbonylContact C-O 3.6Å; A588-W617 VanDerWaalsContact CA-O 3.29Å; A588-W617 WeakPolarHBondContact CA-O 3.39Å; A588-W617 HydrophobicContact CB-CB 4.2Å; L589-W617 PolarHBondContact N-O 2.8Å; W617-H652 HydrophobicContact CD2-CB 3.83Å; W617-H652 AromaticContact CD2-CD2 3.76Å; W617-H652 AromaticContact CD2-CG 3.87Å; W617-H652 AromaticContact CE2-CD2 3.42Å; W617-H652 VanDerWaalsContact CE2-CD2 3.42Å; W617-H652 AromaticContact CE2-CG 3.88Å; W617-H652 AromaticContact CE2-NE2 3.95Å; W617-H652 HydrophobicContact CE3-CB 3.5Å; W617-H652 VanDerWaalsContact CE3-CB 3.5Å; W617-H652 AromaticContact CE3-CG 3.77Å; W617-H652 HydrophobicContact CG-CB 4.43Å; W617-H652 HydrophobicContact CH2-CB 4.36Å; W617-H652 AromaticContact CH2-CD2 4Å; W617-H652 AromaticContact CH2-CG 3.8Å; W617-H652 AromaticContact CH2-ND1 3.84Å; W617-H652 AromaticContact CZ2-CD2 3.56Å; W617-H652 AromaticContact CZ2-CG 3.86Å; W617-H652 AromaticContact CZ2-NE2 3.67Å; W617-H652 HydrophobicContact CZ3-CB 3.79Å; W617-H652 AromaticContact CZ3-CG 3.73Å; W617-H652 AromaticContact NE1-CD2 3.74Å; W617-Y673 HydrophobicContact CE3-CE2 4.01Å; W617-Y673 AromaticContact CE3-CZ 3.88Å; W617-Y673 HydrophobicContact CZ3-CE2 4.3Å; W617-E676 HydrophobicContact CH2-CG 4.01Å; W617-E676 HydrophobicContact CZ3-CB 4.39Å; W617-E676 HydrophobicContact CZ3-CG 4.16Å; W617-I677 HydrophobicContact CE3-CG1 3.76Å; W617-I677 HydrophobicContact CH2-CG1 4.27Å; W617-I677 HydrophobicContact CZ3-CB 4.39Å; W617-I677 HydrophobicContact CZ3-CG1 3.51Å; W617-L680 HydrophobicContact CH2-CB 4.09Å; W617-L680 HydrophobicContact CH2-CD1 3.9Å; W617-L680 HydrophobicContact CZ2-CB 3.94Å; W617-L680 HydrophobicContact CZ2-CD1 3.98Å; W617-V681 HydrophobicContact CH2-CG2 4.14Å; W617-V681 HydrophobicContact CZ2-CG2 3.66Å; W617-F686 HydrophobicContact CB-CE1 3.97Å; W617-F686 AromaticContact CD1-CE1 3.74Å; W617-F686 AromaticContact CD2-CE1 3.94Å; W617-F686 HydrophobicContact CD2-CE1 3.94Å; W617-F686 HydrophobicContact CD2-CZ 4.46Å; W617-F686 HydrophobicContact CG-CD1 4.49Å; W617-F686 AromaticContact CG-CE1 3.58Å; W617-F686 HydrophobicContact CG-CE1 3.58Å; W617-F686 HydrophobicContact CG-CZ 4.36Å |
| 618 | M | 95.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 135.2 | 169.3 | -63.5 | -169.5 | 73.6 | 0 | 0 | 110.1 | D620 E621 N632 F633 M636 P653 M654 Y673 | M618-D620 WeakPolarHBondContact CE-O 3.28Å; M618-E621 HydrophobicContact CE-CB 3.93Å; M618-E621 HydrophobicContact CE-CG 4.17Å; M618-E621 WeakPolarHBondContact CE-OE2 3.43Å; M618-N632 HydrophobicContact CE-CB 3.45Å; M618-N632 VanDerWaalsContact CE-CB 3.45Å; M618-F633 HydrophobicContact CE-CB 3.9Å; M618-F633 HydrophobicContact SD-CB 3.66Å; M618-F633 HydrophobicContact SD-CD2 3.92Å; M618-F633 HydrophobicContact SD-CG 4.26Å; M618-M636 HydrophobicContact CG-CE 4.36Å; M618-P653 HydrophobicContact SD-CB 4.4Å; M618-M654 HydrophobicContact CB-CG 4.06Å; M618-M654 HydrophobicContact CB-SD 4.44Å; M618-M654 WeakPolarHBondContact O-CE 3.12Å; M618-Y673 PolarHBondContact N-OH 3.13Å; M618-Y673 PolarHBondContact O-OH 3.02Å |
| 619 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -80.9 | -36.8 | 171.4 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | A588 L589 M654 V689 L691 A700 L731 | A588-V619 HydrophobicContact CB-CG2 3.72Å; L589-V619 VanDerWaalsContact C-CG2 3.47Å; L589-V619 PolarHBondContact O-N 3.01Å; V619-M654 VanDerWaalsContact C-CE 3.49Å; V619-M654 WeakPolarHBondContact O-CE 3.43Å; V619-V689 HydrophobicContact CG2-CG1 4.07Å; V619-L691 HydrophobicContact CG1-CD2 3.6Å; V619-L691 HydrophobicContact CG2-CD2 4.23Å; V619-A700 HydrophobicContact CG1-CB 3.29Å; V619-L731 HydrophobicContact CB-CD1 4.41Å; V619-L731 HydrophobicContact CG2-CD1 4.21Å; V619-L731 PolarHBondContact O-N 3.29Å |
| 620 | D | 94.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 151.3 | -180 | 71.8 | -46.6 | 0 | 0 | 0 | 112.1 | G591 M618 N632 A700 S701 M729 | G591-D620 PolarHBondContact N-OD1 3.3Å; M618-D620 WeakPolarHBondContact CE-O 3.28Å; D620-N632 PolarHBondContact O-ND2 3.2Å; D620-N632 PolarHBondContact OD2-ND2 2.99Å; D620-A700 WeakPolarHBondContact CB-O 3.37Å; D620-S701 PolarHBondContact OD2-OG 2.84Å; D620-M729 CarbonylContact C-O 3.59Å; D620-M729 VanDerWaalsContact CA-O 3.25Å; D620-M729 WeakPolarHBondContact CA-O 3.48Å |
| 621 | E | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146.7 | 177.2 | -176.8 | 54.6 | -68.9 | 0 | 0 | 111.6 | M618 L626 S631 N632 F633 M654 V656 R728 M729 | M618-E621 HydrophobicContact CE-CB 3.93Å; M618-E621 HydrophobicContact CE-CG 4.17Å; M618-E621 WeakPolarHBondContact CE-OE2 3.43Å; E621-L626 HydrophobicContact CG-CD2 4.2Å; E621-S631 PolarHBondContact OE2-OG 2.9Å; E621-N632 WeakPolarHBondContact OE1-CB 3.15Å; E621-N632 PolarHBondContact OE1-N 2.68Å; E621-N632 PolarHBondContact OE2-N 3.23Å; E621-F633 VanDerWaalsContact OE2-CB 3.28Å; E621-F633 WeakPolarHBondContact OE2-CB 3.37Å; E621-F633 PolarHBondContact OE2-N 2.8Å; E621-M654 HydrophobicContact CB-CB 3.81Å; E621-M654 HydrophobicContact CB-CG 4.35Å; E621-M654 HydrophobicContact CB-SD 3.8Å; E621-M654 HydrophobicContact CG-CB 4.4Å; E621-V656 HydrophobicContact CB-CG1 3.88Å; E621-V656 HydrophobicContact CG-CB 4.42Å; E621-V656 HydrophobicContact CG-CG1 3.65Å; E621-V656 HydrophobicContact CG-CG2 3.92Å; E621-R728 CarbonylContact O-C 3.37Å; E621-R728 VanDerWaalsContact O-CA 3.31Å; E621-R728 WeakPolarHBondContact O-CA 3.48Å; E621-M729 PolarHBondContact N-O 3.1Å; E621-M729 PolarHBondContact O-N 2.87Å |
| 622 | R | 93.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 27% | 0.272 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 140.4 | 171.6 | -49.9 | -155.9 | -179.4 | -139 | -8.3 | 110.1 | V624 D630 P725 R728 | R622-V624 HydrophobicContact CB-CG1 4.38Å; R622-V624 HydrophobicContact CB-CG2 3.94Å; R622-V624 PolarHBondContact O-N 2.67Å; R622-D630 WeakPolarHBondContact CD-O 3.39Å; R622-P725 HydrophobicContact CB-CG 4.39Å; R622-R728 VanDerWaalsContact CB-NH1 3.28Å; R622-R728 VanDerWaalsContact CD-CZ 3.45Å; R622-R728 VanDerWaalsContact CG-CZ 3.45Å |
| 623 | C | 93.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 9% | 0.088 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -74.4 | 67.1 | 175.1 | -60.2 | 0 | 0 | 0 | 0 | 111 | C663 Q727 R728 | C623-C663 VanDerWaalsContact CA-SG 3.58Å; C623-C663 HydrophobicContact CB-CB 3.59Å; C623-C663 WeakPolarHBondContact CB-SG 3.34Å; C623-C663 WeakPolarHBondContact SG-CB 3.49Å; C623-C663 CovalentContact SG-SG 2Å; C623-C663 PolarHBondContact SG-SG 3.19Å; C623-Q727 HydrophobicContact CB-CB 3.93Å; C623-Q727 PolarHBondContact N-O 2.87Å; C623-Q727 VanDerWaalsContact SG-CB 3.55Å; C623-Q727 PolarHBondContact SG-O 3.33Å; C623-Q727 VanDerWaalsContact SG-O 3.33Å; C623-R728 PolarHBondContact SG-N 3.28Å |
| 624 | V | 93.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 12% | 0.115 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -136.8 | 158 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 108 | R622 D630 V656 P725 | R622-V624 HydrophobicContact CB-CG1 4.38Å; R622-V624 HydrophobicContact CB-CG2 3.94Å; R622-V624 PolarHBondContact O-N 2.67Å; V624-D630 HydrophobicContact CG2-CB 4.31Å; V624-V656 WeakPolarHBondContact O-CG2 3.36Å; V624-P725 HydrophobicContact CG1-CB 4.23Å; V624-P725 HydrophobicContact CG1-CG 3.66Å |
| 625 | P | 92.9 | Very high | 93.1 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | trans | -57.5 | 140.9 | 174.8 | -22.6 | 32.8 | 0 | 0 | 0 | 111.9 | T627 E628 | P625-T627 PolarHBondContact O-N 2.83Å; P625-E628 HydrophobicContact CB-CG 4.05Å; P625-E628 HydrophobicContact CG-CG 4.11Å; P625-E628 WeakPolarHBondContact O-CB 3.46Å; P625-E628 PolarHBondContact O-N 3.32Å | ||
| 626 | L | 91.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 25% | 0.246 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11 | -176.9 | -61.1 | -178.6 | 0 | 0 | 0 | 114.1 | E621 F633 H634 P653 V656 | E621-L626 HydrophobicContact CG-CD2 4.2Å; L626-F633 HydrophobicContact CB-CD1 3.96Å; L626-F633 HydrophobicContact CD1-CD1 4.39Å; L626-F633 HydrophobicContact CD2-CB 3.87Å; L626-F633 HydrophobicContact CD2-CG 4.37Å; L626-H634 WeakPolarHBondContact O-CB 3.29Å; L626-P653 HydrophobicContact CD1-CB 3.87Å; L626-P653 HydrophobicContact CD1-CG 4.38Å; L626-V656 HydrophobicContact CD2-CG2 3.9Å |
| 627 | T | 88.7 | Confident | 92.6 | Very high | 111 Ų | 111 | 38.3 Ų | 38.3 | 68% | 0.681 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14.1 | 176.5 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | P625 H634 | P625-T627 PolarHBondContact O-N 2.83Å; T627-H634 PolarHBondContact O-ND1 3.02Å |
| 628 | E | 90.2 | Very high | 92.2 | Very high | 103 Ų | 103 | 43.2 Ų | 43.2 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -80.6 | 151.7 | -175.6 | -70 | -62.3 | 155.8 | 0 | 0 | 112.6 | P625 D630 S631 H634 | P625-E628 HydrophobicContact CB-CG 4.05Å; P625-E628 HydrophobicContact CG-CG 4.11Å; P625-E628 WeakPolarHBondContact O-CB 3.46Å; P625-E628 PolarHBondContact O-N 3.32Å; E628-D630 PolarHBondContact O-N 3.34Å; E628-D630 VanDerWaalsContact O-N 3.16Å; E628-S631 WeakPolarHBondContact O-CB 3.23Å; E628-S631 PolarHBondContact O-N 3.44Å; E628-H634 WeakPolarHBondContact O-CB 3.44Å |
| 629 | A | 87.1 | Confident | 91.8 | Very high | 80 Ų | 80 | 45 Ų | 45 | 66% | 0.661 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | S631 | A629-S631 VanDerWaalsContact C-N 3.31Š|
| 630 | D | 87.6 | Confident | 91.5 | Very high | 101 Ų | 101 | 45 Ų | 45 | 54% | 0.54 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -10.8 | 178.4 | -74 | -20.6 | 0 | 0 | 0 | 113.4 | R622 V624 E628 | R622-D630 WeakPolarHBondContact CD-O 3.39Å; V624-D630 HydrophobicContact CG2-CB 4.31Å; E628-D630 PolarHBondContact O-N 3.34Å; E628-D630 VanDerWaalsContact O-N 3.16Å |
| 631 | S | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | trans | -73.2 | 132.4 | 178.1 | 161.3 | 0 | 0 | 0 | 0 | 111.5 | E621 E628 A629 F633 H634 S635 | E621-S631 PolarHBondContact OE2-OG 2.9Å; E628-S631 WeakPolarHBondContact O-CB 3.23Å; E628-S631 PolarHBondContact O-N 3.44Å; A629-S631 VanDerWaalsContact C-N 3.31Å; S631-F633 VanDerWaalsContact C-N 3.26Å; S631-F633 PolarHBondContact O-N 3.08Å; S631-F633 WeakPolarHBondContact OG-CB 3.41Å; S631-F633 PolarHBondContact OG-N 3.23Å; S631-F633 VanDerWaalsContact OG-N 3.09Å; S631-H634 PolarHBondContact O-N 3.25Å; S631-H634 PolarHBondContact OG-N 2.99Å; S631-S635 PolarHBondContact O-N 2.92Å; S631-S635 VanDerWaalsContact O-N 3.1Å | ||
| 632 | N | 93.4 | Very high | 91 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 171.4 | -72.2 | -21.6 | 0 | 0 | 0 | 110.5 | G591 G592 M618 D620 E621 S635 M636 | G591-N632 VanDerWaalsContact CA-CG 3.49Å; G592-N632 PolarHBondContact N-OD1 3.4Å; M618-N632 HydrophobicContact CE-CB 3.45Å; M618-N632 VanDerWaalsContact CE-CB 3.45Å; D620-N632 PolarHBondContact O-ND2 3.2Å; D620-N632 PolarHBondContact OD2-ND2 2.99Å; E621-N632 WeakPolarHBondContact OE1-CB 3.15Å; E621-N632 PolarHBondContact OE1-N 2.68Å; E621-N632 PolarHBondContact OE2-N 3.23Å; N632-S635 PolarHBondContact O-N 3.41Å; N632-M636 WeakPolarHBondContact O-CB 3.4Å; N632-M636 PolarHBondContact O-N 3.09Å |
| 633 | F | 94.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 174.4 | -177.3 | -100.8 | 0 | 0 | 0 | 111.5 | M618 E621 L626 S631 S635 M636 H637 L641 I651 P653 | M618-F633 HydrophobicContact CE-CB 3.9Å; M618-F633 HydrophobicContact SD-CB 3.66Å; M618-F633 HydrophobicContact SD-CD2 3.92Å; M618-F633 HydrophobicContact SD-CG 4.26Å; E621-F633 VanDerWaalsContact OE2-CB 3.28Å; E621-F633 WeakPolarHBondContact OE2-CB 3.37Å; E621-F633 PolarHBondContact OE2-N 2.8Å; L626-F633 HydrophobicContact CB-CD1 3.96Å; L626-F633 HydrophobicContact CD1-CD1 4.39Å; L626-F633 HydrophobicContact CD2-CB 3.87Å; L626-F633 HydrophobicContact CD2-CG 4.37Å; S631-F633 VanDerWaalsContact C-N 3.26Å; S631-F633 PolarHBondContact O-N 3.08Å; S631-F633 WeakPolarHBondContact OG-CB 3.41Å; S631-F633 PolarHBondContact OG-N 3.23Å; S631-F633 VanDerWaalsContact OG-N 3.09Å; F633-S635 VanDerWaalsContact C-N 3.29Å; F633-S635 PolarHBondContact O-N 2.92Å; F633-M636 PolarHBondContact O-N 3.05Å; F633-H637 HydrophobicContact CE1-CB 4.39Å; F633-H637 VanDerWaalsContact O-CB 3.28Å; F633-H637 WeakPolarHBondContact O-CB 3.47Å; F633-H637 PolarHBondContact O-N 3.14Å; F633-L641 HydrophobicContact CE2-CD1 3.93Å; F633-L641 HydrophobicContact CZ-CD1 4.43Å; F633-I651 HydrophobicContact CE2-CG2 3.72Å; F633-I651 HydrophobicContact CZ-CG2 4.29Å; F633-P653 HydrophobicContact CD2-CB 3.71Å; F633-P653 HydrophobicContact CE2-CB 3.81Å; F633-P653 HydrophobicContact CE2-CG 4.37Å; F633-P653 HydrophobicContact CG-CB 4.25Å; F633-P653 HydrophobicContact CZ-CB 4.44Å |
| 634 | H | 93.3 | Very high | 90 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56 | -47.1 | 176.9 | -178.1 | 85.1 | 0 | 0 | 0 | 111.1 | L626 T627 E628 S631 H637 K638 | L626-H634 WeakPolarHBondContact O-CB 3.29Å; T627-H634 PolarHBondContact O-ND1 3.02Å; E628-H634 WeakPolarHBondContact O-CB 3.44Å; S631-H634 PolarHBondContact O-N 3.25Å; S631-H634 PolarHBondContact OG-N 2.99Å; H634-H637 PolarHBondContact O-N 3.41Å; H634-K638 VanDerWaalsContact O-CB 3.23Å; H634-K638 WeakPolarHBondContact O-CB 3.28Å; H634-K638 PolarHBondContact O-N 2.94Å |
| 635 | S | 91.1 | Very high | 89.2 | Confident | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 177 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | S631 N632 F633 H637 K638 H639 | S631-S635 PolarHBondContact O-N 2.92Å; S631-S635 VanDerWaalsContact O-N 3.1Å; N632-S635 PolarHBondContact O-N 3.41Å; F633-S635 VanDerWaalsContact C-N 3.29Å; F633-S635 PolarHBondContact O-N 2.92Å; S635-H637 PolarHBondContact O-N 2.87Å; S635-K638 PolarHBondContact O-N 3.46Å; S635-H639 WeakPolarHBondContact O-CB 3.44Å; S635-H639 PolarHBondContact O-CD2 2.65Å; S635-H639 PolarHBondContact O-N 2.82Å |
| 636 | M | 92.5 | Very high | 89 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.5 | -171.1 | -172.3 | -60.7 | 0 | 0 | 111.9 | L589 F599 V616 M618 N632 F633 H639 L640 L641 | L589-M636 HydrophobicContact CB-CE 3.64Å; L589-M636 HydrophobicContact CD1-CE 4.18Å; L589-M636 HydrophobicContact CD1-SD 4.12Å; F599-M636 HydrophobicContact CE2-CB 4.39Å; F599-M636 HydrophobicContact CE2-CG 4.26Å; F599-M636 HydrophobicContact CZ-CG 4.34Å; V616-M636 HydrophobicContact CG1-SD 3.67Å; M618-M636 HydrophobicContact CG-CE 4.36Å; N632-M636 WeakPolarHBondContact O-CB 3.4Å; N632-M636 PolarHBondContact O-N 3.09Å; F633-M636 PolarHBondContact O-N 3.05Å; M636-H639 PolarHBondContact O-N 3.27Å; M636-L640 HydrophobicContact CG-CB 4.45Å; M636-L640 HydrophobicContact CG-CD2 4.45Å; M636-L640 WeakPolarHBondContact O-CA 3.36Å; M636-L640 WeakPolarHBondContact O-CB 3.44Å; M636-L640 PolarHBondContact O-N 2.85Å; M636-L641 HydrophobicContact CG-CD1 4.17Å; M636-L641 HydrophobicContact CG-CG 4.09Å; M636-L641 PolarHBondContact O-N 2.93Å; M636-L641 HydrophobicContact SD-CD1 4.16Å; M636-L641 HydrophobicContact SD-CD2 4.46Å; M636-L641 HydrophobicContact SD-CG 4.41Å |
| 637 | H | 91.8 | Very high | 88.9 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.5 | -177.8 | -85.1 | 0 | 0 | 0 | 111.1 | F633 H634 S635 H639 L641 Q642 | F633-H637 HydrophobicContact CE1-CB 4.39Å; F633-H637 VanDerWaalsContact O-CB 3.28Å; F633-H637 WeakPolarHBondContact O-CB 3.47Å; F633-H637 PolarHBondContact O-N 3.14Å; H634-H637 PolarHBondContact O-N 3.41Å; S635-H637 PolarHBondContact O-N 2.87Å; H637-H639 VanDerWaalsContact C-N 3.35Å; H637-H639 PolarHBondContact O-N 2.91Å; H637-L641 HydrophobicContact CB-CD1 4.39Å; H637-Q642 WeakPolarHBondContact O-CB 3.02Å; H637-Q642 WeakPolarHBondContact O-CG 3.38Å; H637-Q642 PolarHBondContact O-N 2.94Å |
| 638 | K | 88.1 | Confident | 88.9 | Confident | 104 Ų | 104 | 60 Ų | 60 | 45% | 0.452 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 178.9 | -177.2 | 179.4 | 179.9 | 179.3 | 0 | 113.4 | H634 S635 Q642 H643 | H634-K638 VanDerWaalsContact O-CB 3.23Å; H634-K638 WeakPolarHBondContact O-CB 3.28Å; H634-K638 PolarHBondContact O-N 2.94Å; S635-K638 PolarHBondContact O-N 3.46Å; K638-Q642 PolarHBondContact O-NE2 3.44Å; K638-H643 PolarHBondContact O-NE2 3.23Å; K638-H643 VanDerWaalsContact O-NE2 3.08Å |
| 639 | H | 86.4 | Confident | 89 | Confident | 41 Ų | 41 | 63 Ų | 63 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -106.7 | -16.3 | -171.6 | -68 | -58 | 0 | 0 | 0 | 114.7 | L596 F599 S635 M636 H637 | L596-H639 HydrophobicContact CD2-CB 4.12Å; L596-H639 VanDerWaalsContact CD2-CD2 3.44Å; L596-H639 WeakPolarHBondContact CD2-CD2 3.41Å; F599-H639 HydrophobicContact CB-CB 4.34Å; F599-H639 HydrophobicContact CD2-CB 4.16Å; S635-H639 WeakPolarHBondContact O-CB 3.44Å; S635-H639 PolarHBondContact O-CD2 2.65Å; S635-H639 PolarHBondContact O-N 2.82Å; M636-H639 PolarHBondContact O-N 3.27Å; H637-H639 VanDerWaalsContact C-N 3.35Å; H637-H639 PolarHBondContact O-N 2.91Å |
| 640 | L | 89.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | -65.6 | -178.4 | -176.7 | 62.7 | 0 | 0 | 0 | 112 | L589 F599 L602 V603 W611 M636 Q642 H643 V644 | L589-L640 HydrophobicContact CD1-CD2 3.82Å; F599-L640 HydrophobicContact CB-CB 4.1Å; F599-L640 HydrophobicContact CD1-CB 4.47Å; F599-L640 HydrophobicContact CD1-CD2 3.93Å; F599-L640 HydrophobicContact CD2-CB 4.36Å; F599-L640 HydrophobicContact CE1-CD2 4.19Å; F599-L640 HydrophobicContact CG-CB 4.07Å; F599-L640 HydrophobicContact CG-CD2 4.36Å; L602-L640 HydrophobicContact CB-CD1 4.33Å; V603-L640 HydrophobicContact CG2-CD1 3.89Å; W611-L640 HydrophobicContact CH2-CD1 3.86Å; W611-L640 HydrophobicContact CH2-CD2 3.94Å; W611-L640 HydrophobicContact CH2-CG 4.22Å; W611-L640 HydrophobicContact CZ2-CD1 3.84Å; W611-L640 HydrophobicContact CZ3-CD2 4.45Å; M636-L640 HydrophobicContact CG-CB 4.45Å; M636-L640 HydrophobicContact CG-CD2 4.45Å; M636-L640 WeakPolarHBondContact O-CA 3.36Å; M636-L640 WeakPolarHBondContact O-CB 3.44Å; M636-L640 PolarHBondContact O-N 2.85Å; L640-Q642 VanDerWaalsContact C-N 3.35Å; L640-Q642 PolarHBondContact O-N 3.37Å; L640-H643 PolarHBondContact O-N 3.1Å; L640-V644 HydrophobicContact CD1-CG1 3.93Å; L640-V644 PolarHBondContact O-N 3.31Å |
| 641 | L | 90.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64.4 | -34.6 | -162.6 | -52.7 | 169.1 | 0 | 0 | 0 | 113.5 | V616 F633 M636 H637 H643 I646 I651 | V616-L641 HydrophobicContact CB-CD2 4.43Å; V616-L641 HydrophobicContact CG1-CD2 4.29Å; V616-L641 HydrophobicContact CG2-CD2 4.4Å; F633-L641 HydrophobicContact CE2-CD1 3.93Å; F633-L641 HydrophobicContact CZ-CD1 4.43Å; M636-L641 HydrophobicContact CG-CD1 4.17Å; M636-L641 HydrophobicContact CG-CG 4.09Å; M636-L641 PolarHBondContact O-N 2.93Å; M636-L641 HydrophobicContact SD-CD1 4.16Å; M636-L641 HydrophobicContact SD-CD2 4.46Å; M636-L641 HydrophobicContact SD-CG 4.41Å; H637-L641 HydrophobicContact CB-CD1 4.39Å; L641-H643 PolarHBondContact O-N 3.22Å; L641-I646 HydrophobicContact CD2-CG2 4.24Å; L641-I651 HydrophobicContact CD1-CD1 4.49Å; L641-I651 HydrophobicContact CD1-CG2 3.8Å |
| 642 | Q | 87.3 | Confident | 89.9 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -72.5 | -12.5 | 177.8 | 76.1 | 179.8 | -21 | 0 | 0 | 113.8 | H637 K638 L640 | H637-Q642 WeakPolarHBondContact O-CB 3.02Å; H637-Q642 WeakPolarHBondContact O-CG 3.38Å; H637-Q642 PolarHBondContact O-N 2.94Å; K638-Q642 PolarHBondContact O-NE2 3.44Å; L640-Q642 VanDerWaalsContact C-N 3.35Å; L640-Q642 PolarHBondContact O-N 3.37Å |
| 643 | H | 81.6 | Confident | 90 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -106.1 | -11.4 | -175.7 | -58.5 | -62.5 | 0 | 0 | 0 | 113.1 | V603 K638 L640 L641 | V603-H643 HydrophobicContact CB-CB 4.43Å; V603-H643 HydrophobicContact CG1-CB 3.65Å; V603-H643 HydrophobicContact CG2-CB 3.8Å; K638-H643 PolarHBondContact O-NE2 3.23Å; K638-H643 VanDerWaalsContact O-NE2 3.08Å; L640-H643 PolarHBondContact O-N 3.1Å; L641-H643 PolarHBondContact O-N 3.22Å |
| 644 | V | 84.6 | Confident | 90.1 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -115.4 | 152.4 | -178.2 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | V603 W611 L640 I646 | V603-V644 HydrophobicContact CG2-CG1 3.97Å; W611-V644 HydrophobicContact CD2-CB 3.81Å; W611-V644 HydrophobicContact CD2-CG1 4.18Å; W611-V644 HydrophobicContact CD2-CG2 3.78Å; W611-V644 HydrophobicContact CE3-CG2 4.01Å; W611-V644 HydrophobicContact CG-CB 3.8Å; W611-V644 HydrophobicContact CG-CG1 4.42Å; W611-V644 HydrophobicContact CG-CG2 4.13Å; W611-V644 HydrophobicContact CZ2-CG1 4.03Å; W611-V644 HydrophobicContact CZ3-CG2 4.48Å; L640-V644 HydrophobicContact CD1-CG1 3.93Å; L640-V644 PolarHBondContact O-N 3.31Å; V644-I646 VanDerWaalsContact C-N 3.33Å; V644-I646 HydrophobicContact CG2-CB 4.38Å; V644-I646 HydrophobicContact CG2-CG2 4Å; V644-I646 PolarHBondContact O-N 3.01Å; V644-I646 VanDerWaalsContact O-N 3.08Å |
| 645 | R | 78.3 | Confident | 90.1 | Very high | 157 Ų | 157 | 54.9 Ų | 54.9 | 59% | 0.592 | 25% | 0.249 | S | C | * | . | trans | -86.7 | 72.8 | -180 | -68.1 | -173.2 | -179.5 | 179.6 | 1.9 | 111 | W611 | W611-R645 CarbonylContact C-O 3.55Å; W611-R645 WeakPolarHBondContact CB-O 3.44Å | ||
| 646 | I | 88.8 | Confident | 90.2 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | trans | -101.1 | 129.6 | 173.4 | -175.5 | 163.1 | 0 | 0 | 0 | 110.2 | T614 V616 L641 V644 N650 I651 | T614-I646 WeakPolarHBondContact O-CD1 3.43Å; V616-I646 HydrophobicContact CB-CD1 4.01Å; V616-I646 HydrophobicContact CG2-CD1 3.46Å; V616-I646 VanDerWaalsContact CG2-CD1 3.46Å; L641-I646 HydrophobicContact CD2-CG2 4.24Å; V644-I646 VanDerWaalsContact C-N 3.33Å; V644-I646 HydrophobicContact CG2-CB 4.38Å; V644-I646 HydrophobicContact CG2-CG2 4Å; V644-I646 PolarHBondContact O-N 3.01Å; V644-I646 VanDerWaalsContact O-N 3.08Å; I646-N650 HydrophobicContact CD1-CB 4.16Å; I646-N650 HydrophobicContact CG1-CB 3.86Å; I646-I651 HydrophobicContact CD1-CG1 3.99Å; I646-I651 HydrophobicContact CG1-CG1 4.01Å; I646-I651 HydrophobicContact CG2-CD1 3.82Å; I646-I651 HydrophobicContact CG2-CG1 3.98Å | ||
| 647 | P | 88 | Confident | 90.2 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | trans | -59.8 | 138.7 | 172.9 | -22.9 | 32.3 | 0 | 0 | 0 | 110.8 | R612 Y649 N650 | R612-P647 HydrophobicContact CG-CG 4.43Å; P647-Y649 HydrophobicContact CB-CD1 3.89Å; P647-Y649 HydrophobicContact CB-CD2 4.24Å; P647-Y649 HydrophobicContact CB-CE1 3.41Å; P647-Y649 VanDerWaalsContact CB-CE1 3.41Å; P647-Y649 HydrophobicContact CB-CE2 3.79Å; P647-Y649 HydrophobicContact CB-CG 4.27Å; P647-Y649 HydrophobicContact CG-CE1 4.38Å; P647-Y649 HydrophobicContact CG-CE2 4.36Å; P647-Y649 PolarHBondContact O-N 2.83Å; P647-Y649 VanDerWaalsContact O-N 3.13Å; P647-N650 HydrophobicContact CB-CB 4.47Å; P647-N650 WeakPolarHBondContact O-CB 3.28Å; P647-N650 PolarHBondContact O-N 2.87Å | ||
| 648 | Y | 88.1 | Confident | 90.1 | Very high | 203 Ų | 203 | 56 Ų | 56 | 80% | 0.796 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -57 | -34.8 | -177.3 | -176.9 | -98.6 | 0 | 0 | 0 | 112.9 | N650 I651 | Y648-N650 PolarHBondContact O-N 2.87Å; Y648-I651 PolarHBondContact O-N 3.39Å |
| 649 | Y | 92.5 | Very high | 90 | Very high | 167 Ų | 167 | 57.1 Ų | 57.1 | 66% | 0.655 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -72 | -7 | 177.5 | 59.5 | -100.7 | 0 | 0 | 0 | 114.5 | P647 | P647-Y649 HydrophobicContact CB-CD1 3.89Å; P647-Y649 HydrophobicContact CB-CD2 4.24Å; P647-Y649 HydrophobicContact CB-CE1 3.41Å; P647-Y649 VanDerWaalsContact CB-CE1 3.41Å; P647-Y649 HydrophobicContact CB-CE2 3.79Å; P647-Y649 HydrophobicContact CB-CG 4.27Å; P647-Y649 HydrophobicContact CG-CE1 4.38Å; P647-Y649 HydrophobicContact CG-CE2 4.36Å; P647-Y649 PolarHBondContact O-N 2.83Å; P647-Y649 VanDerWaalsContact O-N 3.13Å |
| 650 | N | 95 | Very high | 90 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -97 | 0.4 | 173.6 | -72.6 | 7.1 | 0 | 0 | 0 | 112.6 | R612 T614 H615 V616 I646 P647 Y648 H652 | R612-N650 PolarHBondContact O-ND2 3.32Å; T614-N650 VanDerWaalsContact O-CB 3.32Å; T614-N650 WeakPolarHBondContact O-CB 3.18Å; T614-N650 PolarHBondContact O-ND2 3.08Å; H615-N650 CarbonylContact C-O 3.58Å; H615-N650 VanDerWaalsContact CA-O 3.3Å; H615-N650 WeakPolarHBondContact CA-O 3.47Å; H615-N650 PolarHBondContact CE1-OD1 3.14Å; H615-N650 PolarHBondContact NE2-OD1 3.47Å; H615-N650 VanDerWaalsContact NE2-OD1 3.13Å; V616-N650 PolarHBondContact N-O 2.94Å; I646-N650 HydrophobicContact CD1-CB 4.16Å; I646-N650 HydrophobicContact CG1-CB 3.86Å; P647-N650 HydrophobicContact CB-CB 4.47Å; P647-N650 WeakPolarHBondContact O-CB 3.28Å; P647-N650 PolarHBondContact O-N 2.87Å; Y648-N650 PolarHBondContact O-N 2.87Å; N650-H652 PolarHBondContact O-CD2 3.38Å |
| 651 | I | 96.5 | Very high | 90 | Very high | 28 Ų | 28 | 69.5 Ų | 69.5 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.2 | 178.8 | -52.8 | 174.8 | 0 | 0 | 0 | 108 | F633 L641 I646 Y648 P653 | F633-I651 HydrophobicContact CE2-CG2 3.72Å; F633-I651 HydrophobicContact CZ-CG2 4.29Å; L641-I651 HydrophobicContact CD1-CD1 4.49Å; L641-I651 HydrophobicContact CD1-CG2 3.8Å; I646-I651 HydrophobicContact CD1-CG1 3.99Å; I646-I651 HydrophobicContact CG1-CG1 4.01Å; I646-I651 HydrophobicContact CG2-CD1 3.82Å; I646-I651 HydrophobicContact CG2-CG1 3.98Å; Y648-I651 PolarHBondContact O-N 3.39Å; I651-P653 WeakPolarHBondContact O-CD 3.33Å |
| 652 | H | 96.2 | Very high | 90 | Very high | 5 Ų | 5 | 72.1 Ų | 72.1 | 2% | 0.023 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 85.5 | -175.7 | -54.9 | -77.8 | 0 | 0 | 0 | 110.5 | H615 V616 W617 N650 Y673 E676 L680 | H615-H652 AromaticContact CE1-NE2 3.85Å; H615-H652 AromaticContact CG-NE2 3.7Å; H615-H652 AromaticContact ND1-CD2 3.89Å; H615-H652 AromaticContact ND1-CE1 3.72Å; H615-H652 AromaticContact ND1-NE2 2.83Å; H615-H652 PolarHBondContact ND1-NE2 2.91Å; V616-H652 PolarHBondContact O-N 3.49Å; W617-H652 HydrophobicContact CD2-CB 3.83Å; W617-H652 AromaticContact CD2-CD2 3.76Å; W617-H652 AromaticContact CD2-CG 3.87Å; W617-H652 AromaticContact CE2-CD2 3.42Å; W617-H652 VanDerWaalsContact CE2-CD2 3.42Å; W617-H652 AromaticContact CE2-CG 3.88Å; W617-H652 AromaticContact CE2-NE2 3.95Å; W617-H652 HydrophobicContact CE3-CB 3.5Å; W617-H652 VanDerWaalsContact CE3-CB 3.5Å; W617-H652 AromaticContact CE3-CG 3.77Å; W617-H652 HydrophobicContact CG-CB 4.43Å; W617-H652 HydrophobicContact CH2-CB 4.36Å; W617-H652 AromaticContact CH2-CD2 4Å; W617-H652 AromaticContact CH2-CG 3.8Å; W617-H652 AromaticContact CH2-ND1 3.84Å; W617-H652 AromaticContact CZ2-CD2 3.56Å; W617-H652 AromaticContact CZ2-CG 3.86Å; W617-H652 AromaticContact CZ2-NE2 3.67Å; W617-H652 HydrophobicContact CZ3-CB 3.79Å; W617-H652 AromaticContact CZ3-CG 3.73Å; W617-H652 AromaticContact NE1-CD2 3.74Å; N650-H652 PolarHBondContact O-CD2 3.38Å; H652-Y673 HydrophobicContact CB-CE2 4.13Å; H652-Y673 PolarHBondContact O-OH 3.16Å; H652-E676 IonicContact CE1-OE1 3.32Å; H652-E676 PolarHBondContact CE1-OE1 2.8Å; H652-E676 IonicContact CG-OE1 2.84Å; H652-E676 IonicContact ND1-OE1 2.93Å; H652-E676 PolarHBondContact ND1-OE1 3.39Å; H652-L680 VanDerWaalsContact CE1-CD1 3.49Å; H652-L680 WeakPolarHBondContact CE1-CD1 3.39Å |
| 653 | P | 95.6 | Very high | 90.1 | Very high | 42 Ų | 42 | 67.5 Ų | 67.5 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | trans | -70.8 | 148 | 172.2 | 29.5 | -33.1 | 0 | 0 | 0 | 111.1 | M618 L626 F633 I651 | M618-P653 HydrophobicContact SD-CB 4.4Å; L626-P653 HydrophobicContact CD1-CB 3.87Å; L626-P653 HydrophobicContact CD1-CG 4.38Å; F633-P653 HydrophobicContact CD2-CB 3.71Å; F633-P653 HydrophobicContact CE2-CB 3.81Å; F633-P653 HydrophobicContact CE2-CG 4.37Å; F633-P653 HydrophobicContact CG-CB 4.25Å; F633-P653 HydrophobicContact CZ-CB 4.44Å; I651-P653 WeakPolarHBondContact O-CD 3.33Å | ||
| 654 | M | 95.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -68.4 | 129.5 | 171 | -83.5 | -179.4 | 171.6 | 0 | 0 | 110.5 | M618 V619 E621 V656 Y673 M729 L731 | M618-M654 HydrophobicContact CB-CG 4.06Å; M618-M654 HydrophobicContact CB-SD 4.44Å; M618-M654 WeakPolarHBondContact O-CE 3.12Å; V619-M654 VanDerWaalsContact C-CE 3.49Å; V619-M654 WeakPolarHBondContact O-CE 3.43Å; E621-M654 HydrophobicContact CB-CB 3.81Å; E621-M654 HydrophobicContact CB-CG 4.35Å; E621-M654 HydrophobicContact CB-SD 3.8Å; E621-M654 HydrophobicContact CG-CB 4.4Å; M654-V656 HydrophobicContact CB-CG1 4.12Å; M654-V656 PolarHBondContact O-N 2.87Å; M654-Y673 HydrophobicContact CE-CD1 4.14Å; M654-Y673 HydrophobicContact CE-CE1 3.69Å; M654-Y673 HydrophobicContact CG-CD1 3.93Å; M654-Y673 HydrophobicContact CG-CD2 4.5Å; M654-Y673 HydrophobicContact CG-CE1 3.66Å; M654-Y673 HydrophobicContact CG-CE2 4.26Å; M654-Y673 HydrophobicContact CG-CG 4.35Å; M654-M729 HydrophobicContact CB-SD 3.84Å; M654-M729 HydrophobicContact CE-CG 4.35Å; M654-M729 HydrophobicContact CG-CG 4.34Å; M654-M729 HydrophobicContact CG-SD 3.95Å; M654-M729 HydrophobicContact SD-CB 3.83Å; M654-M729 HydrophobicContact SD-CG 3.75Å; M654-M729 VanDerWaalsContact SD-O 3.38Å; M654-M729 HydrophobicContact SD-SD 4.15Å; M654-L731 HydrophobicContact CE-CD2 4.33Å; M654-L731 HydrophobicContact CE-CG 4.22Å | ||
| 655 | P | 94.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 21% | 0.208 | 33% | 0.329 | C | S | . | . | trans | -77.6 | 69 | -179.4 | 34.1 | -37.5 | 0 | 0 | 0 | 110.9 | Q657 L658 G669 L672 | P655-Q657 VanDerWaalsContact C-N 3.32Å; P655-L658 HydrophobicContact CB-CD1 4.35Å; P655-L658 HydrophobicContact CB-CD2 4.29Å; P655-L658 HydrophobicContact CB-CG 4.38Å; P655-G669 WeakPolarHBondContact CG-O 2.96Å; P655-L672 HydrophobicContact CG-CB 4.41Å | ||
| 656 | V | 93.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | trans | -79 | -15.2 | 179.2 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | E621 V624 L626 M654 L662 C663 M729 | E621-V656 HydrophobicContact CB-CG1 3.88Å; E621-V656 HydrophobicContact CG-CB 4.42Å; E621-V656 HydrophobicContact CG-CG1 3.65Å; E621-V656 HydrophobicContact CG-CG2 3.92Å; V624-V656 WeakPolarHBondContact O-CG2 3.36Å; L626-V656 HydrophobicContact CD2-CG2 3.9Å; M654-V656 HydrophobicContact CB-CG1 4.12Å; M654-V656 PolarHBondContact O-N 2.87Å; V656-L662 CarbonylContact O-C 3.48Å; V656-L662 VanDerWaalsContact O-CA 3.25Å; V656-L662 WeakPolarHBondContact O-CA 3.36Å; V656-C663 PolarHBondContact O-N 2.95Å; V656-M729 HydrophobicContact CG1-CB 3.91Å; V656-M729 HydrophobicContact CG1-CE 4.26Å; V656-M729 HydrophobicContact CG1-SD 4.43Å | ||
| 657 | Q | 92 | Very high | 90.8 | Very high | 89 Ų | 89 | 71.7 Ų | 71.7 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 109.1 | 177.2 | -167.3 | 178.6 | 13.2 | 0 | 0 | 110.7 | P655 R661 L662 | P655-Q657 VanDerWaalsContact C-N 3.32Å; Q657-R661 VanDerWaalsContact CA-O 3.29Å; Q657-R661 WeakPolarHBondContact CA-O 3.45Å; Q657-L662 HydrophobicContact CB-CD2 3.75Å; Q657-L662 HydrophobicContact CG-CD2 3.88Å |
| 658 | L | 89.1 | Confident | 90.9 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.2 | 177.9 | -67.2 | 175.4 | 0 | 0 | 0 | 108.9 | P655 Q660 R661 D667 L672 | P655-L658 HydrophobicContact CB-CD1 4.35Å; P655-L658 HydrophobicContact CB-CD2 4.29Å; P655-L658 HydrophobicContact CB-CG 4.38Å; L658-Q660 PolarHBondContact O-N 2.82Å; L658-R661 PolarHBondContact N-O 3Å; L658-R661 PolarHBondContact O-N 3.21Å; L658-R661 VanDerWaalsContact O-O 3.06Å; L658-D667 HydrophobicContact CB-CB 3.98Å; L658-D667 HydrophobicContact CD1-CB 4.31Å; L658-D667 WeakPolarHBondContact CD1-O 2.93Å; L658-L672 HydrophobicContact CD1-CD1 3.63Å |
| 659 | N | 87.6 | Confident | 91.1 | Very high | 126 Ų | 126 | 62 Ų | 62 | 67% | 0.674 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 34 | -179.3 | -58.7 | -38.5 | 0 | 0 | 0 | 113.7 | R661 D667 | N659-R661 PolarHBondContact O-N 3.11Å; N659-D667 PolarHBondContact ND2-OD1 3.46Å |
| 660 | Q | 85.9 | Confident | 91.1 | Very high | 184 Ų | 184 | 54.5 Ų | 54.5 | 86% | 0.86 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 12.7 | -174.7 | -53.9 | 177.5 | -6.9 | 0 | 0 | 115.5 | L658 | L658-Q660 PolarHBondContact O-N 2.82Š|
| 661 | R | 89.1 | Confident | 91 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 155.1 | 176.6 | -57.2 | -175.4 | -63.5 | -175.9 | -6.5 | 110.8 | Q657 L658 N659 V664 D667 | Q657-R661 VanDerWaalsContact CA-O 3.29Å; Q657-R661 WeakPolarHBondContact CA-O 3.45Å; L658-R661 PolarHBondContact N-O 3Å; L658-R661 PolarHBondContact O-N 3.21Å; L658-R661 VanDerWaalsContact O-O 3.06Å; N659-R661 PolarHBondContact O-N 3.11Å; R661-V664 HydrophobicContact CB-CG2 3.74Å; R661-D667 IonicContact CZ-OD1 3.88Å; R661-D667 IonicContact CZ-OD2 2.67Å; R661-D667 IonicContact NE-OD1 3.28Å; R661-D667 IonicContact NE-OD2 3.4Å; R661-D667 PolarHBondContact NE-OD2 3.1Å; R661-D667 IonicContact NH2-OD1 2.95Å; R661-D667 PolarHBondContact NH2-OD1 3.3Å; R661-D667 IonicContact NH2-OD2 2.66Å; R661-D667 PolarHBondContact NH2-OD2 2.9Å; R661-D667 VanDerWaalsContact NH2-OD2 3.13Å |
| 662 | L | 91.4 | Very high | 90.9 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.7 | -176.6 | -67.8 | 164.3 | 0 | 0 | 0 | 110.5 | V656 Q657 V664 | V656-L662 CarbonylContact O-C 3.48Å; V656-L662 VanDerWaalsContact O-CA 3.25Å; V656-L662 WeakPolarHBondContact O-CA 3.36Å; Q657-L662 HydrophobicContact CB-CD2 3.75Å; Q657-L662 HydrophobicContact CG-CD2 3.88Å; L662-V664 VanDerWaalsContact C-N 3.26Å; L662-V664 PolarHBondContact O-N 3.24Å; L662-V664 VanDerWaalsContact O-N 3.12Å |
| 663 | C | 87.9 | Confident | 90.8 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 45.5 | 42.2 | 173.4 | -65.1 | 0 | 0 | 0 | 0 | 115.9 | C623 V656 L718 | C623-C663 VanDerWaalsContact CA-SG 3.58Å; C623-C663 HydrophobicContact CB-CB 3.59Å; C623-C663 WeakPolarHBondContact CB-SG 3.34Å; C623-C663 WeakPolarHBondContact SG-CB 3.49Å; C623-C663 CovalentContact SG-SG 2Å; C623-C663 PolarHBondContact SG-SG 3.19Å; V656-C663 PolarHBondContact O-N 2.95Å; C663-L718 HydrophobicContact CB-CD1 4.37Å; C663-L718 HydrophobicContact CB-CD2 3.99Å; C663-L718 WeakPolarHBondContact O-CD1 3.48Å |
| 664 | V | 88.5 | Confident | 90.7 | Very high | 37 Ų | 37 | 62 Ų | 62 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | trans | -82.7 | 124 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | R661 L662 E666 D667 | R661-V664 HydrophobicContact CB-CG2 3.74Å; L662-V664 VanDerWaalsContact C-N 3.26Å; L662-V664 PolarHBondContact O-N 3.24Å; L662-V664 VanDerWaalsContact O-N 3.12Å; V664-E666 HydrophobicContact CG1-CB 4.32Å; V664-E666 WeakPolarHBondContact CG1-OE2 3.44Å; V664-E666 PolarHBondContact O-N 3.3Å; V664-D667 HydrophobicContact CB-CB 4.41Å; V664-D667 WeakPolarHBondContact CB-OD2 3.29Å; V664-D667 WeakPolarHBondContact O-CB 3.44Å; V664-D667 PolarHBondContact O-N 2.83Å | ||
| 665 | E | 84 | Confident | 90.5 | Very high | 145 Ų | 145 | 69.2 Ų | 69.2 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -58.3 | -37.5 | -175.8 | -76 | -174.7 | -179.4 | 0 | 0 | 112.2 | D667 G668 L718 | E665-D667 PolarHBondContact O-N 2.59Å; E665-G668 PolarHBondContact O-N 3.44Å; E665-G668 VanDerWaalsContact O-N 3.1Å; E665-L718 HydrophobicContact CG-CD1 3.63Å |
| 666 | E | 88 | Confident | 90.5 | Very high | 160 Ų | 160 | 71.1 Ų | 71.1 | 75% | 0.748 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -67 | -20 | 179.1 | -58.2 | 85.5 | 173 | 0 | 0 | 113.4 | V664 G668 | V664-E666 HydrophobicContact CG1-CB 4.32Å; V664-E666 WeakPolarHBondContact CG1-OE2 3.44Å; V664-E666 PolarHBondContact O-N 3.3Å; E666-G668 PolarHBondContact O-N 3.02Å |
| 667 | D | 88.4 | Confident | 90.5 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -77.3 | -10.1 | 175.7 | -76 | -37.7 | 0 | 0 | 0 | 112.6 | L658 N659 R661 V664 E665 G669 | L658-D667 HydrophobicContact CB-CB 3.98Å; L658-D667 HydrophobicContact CD1-CB 4.31Å; L658-D667 WeakPolarHBondContact CD1-O 2.93Å; N659-D667 PolarHBondContact ND2-OD1 3.46Å; R661-D667 IonicContact CZ-OD1 3.88Å; R661-D667 IonicContact CZ-OD2 2.67Å; R661-D667 IonicContact NE-OD1 3.28Å; R661-D667 IonicContact NE-OD2 3.4Å; R661-D667 PolarHBondContact NE-OD2 3.1Å; R661-D667 IonicContact NH2-OD1 2.95Å; R661-D667 PolarHBondContact NH2-OD1 3.3Å; R661-D667 IonicContact NH2-OD2 2.66Å; R661-D667 PolarHBondContact NH2-OD2 2.9Å; R661-D667 VanDerWaalsContact NH2-OD2 3.13Å; V664-D667 HydrophobicContact CB-CB 4.41Å; V664-D667 WeakPolarHBondContact CB-OD2 3.29Å; V664-D667 WeakPolarHBondContact O-CB 3.44Å; V664-D667 PolarHBondContact O-N 2.83Å; E665-D667 PolarHBondContact O-N 2.59Å; D667-G669 VanDerWaalsContact C-N 3.31Å; D667-G669 PolarHBondContact O-N 3.46Å |
| 668 | G | 90.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 70 Ų | 70 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 20 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E665 E666 A670 Q671 L672 | E665-G668 PolarHBondContact O-N 3.44Å; E665-G668 VanDerWaalsContact O-N 3.1Å; E666-G668 PolarHBondContact O-N 3.02Å; G668-A670 PolarHBondContact O-N 2.91Å; G668-Q671 VanDerWaalsContact C-OE1 3.23Å; G668-Q671 PolarHBondContact O-N 3.4Å; G668-Q671 PolarHBondContact O-OE1 2.88Å; G668-L672 WeakPolarHBondContact O-CG 3.44Å; G668-L672 PolarHBondContact O-N 2.94Å |
| 669 | G | 92.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 76.1 Ų | 76.1 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P655 D667 Q671 L672 Y673 | P655-G669 WeakPolarHBondContact CG-O 2.96Å; D667-G669 VanDerWaalsContact C-N 3.31Å; D667-G669 PolarHBondContact O-N 3.46Å; G669-Q671 VanDerWaalsContact C-N 3.32Å; G669-Q671 PolarHBondContact O-N 2.93Å; G669-L672 PolarHBondContact O-N 2.95Å; G669-Y673 PolarHBondContact O-N 3.46Å; G669-Y673 VanDerWaalsContact O-N 3.08Å |
| 670 | A | 91.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 73.1 Ų | 73.1 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G668 Y673 E674 V716 M729 | G668-A670 PolarHBondContact O-N 2.91Å; A670-Y673 PolarHBondContact O-N 3.28Å; A670-E674 WeakPolarHBondContact O-CB 3.25Å; A670-E674 PolarHBondContact O-N 3.11Å; A670-V716 HydrophobicContact CB-CB 4.31Å; A670-V716 HydrophobicContact CB-CG1 3.96Å; A670-M729 HydrophobicContact CB-CE 4.46Å |
| 671 | Q | 93.4 | Very high | 90.4 | Very high | 112 Ų | 112 | 64.6 Ų | 64.6 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.3 | -34.1 | 178.4 | -63.8 | 79.7 | 2.4 | 0 | 0 | 112.1 | G668 G669 K675 | G668-Q671 VanDerWaalsContact C-OE1 3.23Å; G668-Q671 PolarHBondContact O-N 3.4Å; G668-Q671 PolarHBondContact O-OE1 2.88Å; G669-Q671 VanDerWaalsContact C-N 3.32Å; G669-Q671 PolarHBondContact O-N 2.93Å; Q671-K675 VanDerWaalsContact O-CB 3.27Å; Q671-K675 WeakPolarHBondContact O-CB 3.37Å; Q671-K675 PolarHBondContact O-N 2.84Å |
| 672 | L | 94 | Very high | 89.2 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 174.3 | -77.1 | 168.2 | 0 | 0 | 0 | 111.4 | P655 L658 G668 G669 K675 E676 | P655-L672 HydrophobicContact CG-CB 4.41Å; L658-L672 HydrophobicContact CD1-CD1 3.63Å; G668-L672 WeakPolarHBondContact O-CG 3.44Å; G668-L672 PolarHBondContact O-N 2.94Å; G669-L672 PolarHBondContact O-N 2.95Å; L672-K675 PolarHBondContact O-N 3.26Å; L672-E676 PolarHBondContact O-N 3.04Å; L672-E676 VanDerWaalsContact O-N 3.08Å |
| 673 | Y | 94.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 178 | -163 | -120.8 | 0 | 0 | 0 | 111.4 | W617 M618 H652 M654 G669 A670 K675 E676 I677 V716 L731 | W617-Y673 HydrophobicContact CE3-CE2 4.01Å; W617-Y673 AromaticContact CE3-CZ 3.88Å; W617-Y673 HydrophobicContact CZ3-CE2 4.3Å; M618-Y673 PolarHBondContact N-OH 3.13Å; M618-Y673 PolarHBondContact O-OH 3.02Å; H652-Y673 HydrophobicContact CB-CE2 4.13Å; H652-Y673 PolarHBondContact O-OH 3.16Å; M654-Y673 HydrophobicContact CE-CD1 4.14Å; M654-Y673 HydrophobicContact CE-CE1 3.69Å; M654-Y673 HydrophobicContact CG-CD1 3.93Å; M654-Y673 HydrophobicContact CG-CD2 4.5Å; M654-Y673 HydrophobicContact CG-CE1 3.66Å; M654-Y673 HydrophobicContact CG-CE2 4.26Å; M654-Y673 HydrophobicContact CG-CG 4.35Å; G669-Y673 PolarHBondContact O-N 3.46Å; G669-Y673 VanDerWaalsContact O-N 3.08Å; A670-Y673 PolarHBondContact O-N 3.28Å; Y673-K675 VanDerWaalsContact C-N 3.33Å; Y673-K675 PolarHBondContact O-N 2Å; Y673-E676 WeakPolarHBondContact O-CB 3.16Å; Y673-E676 PolarHBondContact O-N 2.74Å; Y673-E676 VanDerWaalsContact O-N 3.15Å; Y673-I677 HydrophobicContact CD1-CD1 3.8Å; Y673-I677 HydrophobicContact CE1-CD1 3.81Å; Y673-I677 WeakPolarHBondContact O-CG1 3.31Å; Y673-I677 PolarHBondContact O-N 3.35Å; Y673-V716 HydrophobicContact CD1-CG1 4.16Å; Y673-V716 HydrophobicContact CD1-CG2 3.77Å; Y673-L731 HydrophobicContact CD1-CD2 4.49Å; Y673-L731 HydrophobicContact CE1-CD2 4.04Å |
| 674 | E | 92.8 | Very high | 86.3 | Confident | 36 Ų | 36 | 69 Ų | 69 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 173.8 | 174.8 | 168 | -140.9 | 0 | 0 | 112.4 | A670 E676 I677 N678 S714 L715 V716 | A670-E674 WeakPolarHBondContact O-CB 3.25Å; A670-E674 PolarHBondContact O-N 3.11Å; E674-E676 VanDerWaalsContact C-N 3.29Å; E674-E676 PolarHBondContact O-N 2.88Å; E674-I677 PolarHBondContact O-N 2.89Å; E674-N678 WeakPolarHBondContact CG-ND2 3.37Å; E674-N678 WeakPolarHBondContact O-CB 3.42Å; E674-N678 PolarHBondContact O-N 3.1Å; E674-N678 PolarHBondContact O-ND2 2.8Å; E674-N678 VanDerWaalsContact O-ND2 3.14Å; E674-S714 WeakPolarHBondContact OE1-CA 3.38Å; E674-S714 PolarHBondContact OE2-OG 3.26Å; E674-L715 HydrophobicContact CG-CB 4.02Å; E674-L715 HydrophobicContact CG-CD1 4.33Å; E674-L715 HydrophobicContact CG-CG 4.28Å; E674-L715 PolarHBondContact OE1-N 3.12Å; E674-V716 HydrophobicContact CB-CB 4.37Å; E674-V716 HydrophobicContact CB-CG2 3.9Å |
| 675 | K | 92.3 | Very high | 86 | Confident | 153 Ų | 153 | 68.9 Ų | 68.9 | 67% | 0.665 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.9 | -37.2 | 176.1 | -175.2 | 178.6 | -179.4 | 179.5 | 0 | 111.8 | Q671 L672 Y673 K679 | Q671-K675 VanDerWaalsContact O-CB 3.27Å; Q671-K675 WeakPolarHBondContact O-CB 3.37Å; Q671-K675 PolarHBondContact O-N 2.84Å; L672-K675 PolarHBondContact O-N 3.26Å; Y673-K675 VanDerWaalsContact C-N 3.33Å; Y673-K675 PolarHBondContact O-N 2Å; K675-K679 WeakPolarHBondContact O-CB 3.44Å; K675-K679 PolarHBondContact O-N 2.85Å |
| 676 | E | 93.4 | Very high | 86.5 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 176.4 | -163.6 | 176.4 | -177.6 | 0 | 0 | 111.8 | W617 H652 L672 Y673 E674 N678 K679 L680 | W617-E676 HydrophobicContact CH2-CG 4.01Å; W617-E676 HydrophobicContact CZ3-CB 4.39Å; W617-E676 HydrophobicContact CZ3-CG 4.16Å; H652-E676 IonicContact CE1-OE1 3.32Å; H652-E676 PolarHBondContact CE1-OE1 2.8Å; H652-E676 IonicContact CG-OE1 2.84Å; H652-E676 IonicContact ND1-OE1 2.93Å; H652-E676 PolarHBondContact ND1-OE1 3.39Å; L672-E676 PolarHBondContact O-N 3.04Å; L672-E676 VanDerWaalsContact O-N 3.08Å; Y673-E676 WeakPolarHBondContact O-CB 3.16Å; Y673-E676 PolarHBondContact O-N 2.74Å; Y673-E676 VanDerWaalsContact O-N 3.15Å; E674-E676 VanDerWaalsContact C-N 3.29Å; E674-E676 PolarHBondContact O-N 2.88Å; E676-N678 PolarHBondContact O-N 2.78Å; E676-K679 WeakPolarHBondContact O-CB 3.25Å; E676-K679 PolarHBondContact O-N 3.03Å; E676-K679 VanDerWaalsContact O-N 3.12Å; E676-L680 HydrophobicContact CG-CD1 4.2Å; E676-L680 PolarHBondContact O-N 3.16Å |
| 677 | I | 92.7 | Very high | 86.8 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 172.9 | -66.3 | 167.9 | 0 | 0 | 0 | 110.1 | W617 Y673 E674 K679 L680 V681 F686 L715 V716 L731 | W617-I677 HydrophobicContact CE3-CG1 3.76Å; W617-I677 HydrophobicContact CH2-CG1 4.27Å; W617-I677 HydrophobicContact CZ3-CB 4.39Å; W617-I677 HydrophobicContact CZ3-CG1 3.51Å; Y673-I677 HydrophobicContact CD1-CD1 3.8Å; Y673-I677 HydrophobicContact CE1-CD1 3.81Å; Y673-I677 WeakPolarHBondContact O-CG1 3.31Å; Y673-I677 PolarHBondContact O-N 3.35Å; E674-I677 PolarHBondContact O-N 2.89Å; I677-K679 PolarHBondContact O-N 2.91Å; I677-L680 PolarHBondContact O-N 2.89Å; I677-V681 HydrophobicContact CG2-CB 4.06Å; I677-V681 HydrophobicContact CG2-CG2 4.07Å; I677-V681 WeakPolarHBondContact O-CA 3.41Å; I677-V681 VanDerWaalsContact O-CB 3.25Å; I677-V681 WeakPolarHBondContact O-CB 3.49Å; I677-V681 PolarHBondContact O-N 3.37Å; I677-F686 HydrophobicContact CD1-CZ 4.29Å; I677-F686 HydrophobicContact CG1-CZ 4.24Å; I677-F686 HydrophobicContact CG2-CE2 4.26Å; I677-F686 HydrophobicContact CG2-CZ 4.03Å; I677-L715 HydrophobicContact CB-CD1 4.47Å; I677-L715 HydrophobicContact CG2-CD1 3.81Å; I677-V716 HydrophobicContact CD1-CG2 3.87Å; I677-L731 HydrophobicContact CD1-CD2 3.68Å |
| 678 | N | 90.1 | Very high | 87.2 | Confident | 60 Ų | 60 | 54 Ų | 54 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -23.2 | 178.9 | -79 | -42.8 | 0 | 0 | 0 | 113.4 | E674 E676 N682 L715 | E674-N678 WeakPolarHBondContact CG-ND2 3.37Å; E674-N678 WeakPolarHBondContact O-CB 3.42Å; E674-N678 PolarHBondContact O-N 3.1Å; E674-N678 PolarHBondContact O-ND2 2.8Å; E674-N678 VanDerWaalsContact O-ND2 3.14Å; E676-N678 PolarHBondContact O-N 2.78Å; N678-N682 WeakPolarHBondContact O-CB 3.48Å; N678-L715 WeakPolarHBondContact OD1-CD1 3.19Å |
| 679 | K | 89.7 | Confident | 87.5 | Confident | 173 Ų | 173 | 53.2 Ų | 53.2 | 75% | 0.752 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -81.4 | -42.5 | 176.9 | -176.6 | -176.8 | 175.8 | -170.7 | 0 | 112.3 | K675 E676 I677 | K675-K679 WeakPolarHBondContact O-CB 3.44Å; K675-K679 PolarHBondContact O-N 2.85Å; E676-K679 WeakPolarHBondContact O-CB 3.25Å; E676-K679 PolarHBondContact O-N 3.03Å; E676-K679 VanDerWaalsContact O-N 3.12Å; I677-K679 PolarHBondContact O-N 2.91Å |
| 680 | L | 88.4 | Confident | 87.7 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -99.8 | -31.6 | -170.4 | -65.5 | 178.1 | 0 | 0 | 0 | 113.5 | H586 W617 H652 E676 I677 | H586-L680 PolarHBondContact NE2-O 2.89Å; W617-L680 HydrophobicContact CH2-CB 4.09Å; W617-L680 HydrophobicContact CH2-CD1 3.9Å; W617-L680 HydrophobicContact CZ2-CB 3.94Å; W617-L680 HydrophobicContact CZ2-CD1 3.98Å; H652-L680 VanDerWaalsContact CE1-CD1 3.49Å; H652-L680 WeakPolarHBondContact CE1-CD1 3.39Å; E676-L680 HydrophobicContact CG-CD1 4.2Å; E676-L680 PolarHBondContact O-N 3.16Å; I677-L680 PolarHBondContact O-N 2.89Å |
| 681 | V | 85.9 | Confident | 87.9 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -24 | -170.1 | -172 | 0 | 0 | 0 | 0 | 113 | W617 I677 V683 S684 S685 F686 | W617-V681 HydrophobicContact CH2-CG2 4.14Å; W617-V681 HydrophobicContact CZ2-CG2 3.66Å; I677-V681 HydrophobicContact CG2-CB 4.06Å; I677-V681 HydrophobicContact CG2-CG2 4.07Å; I677-V681 WeakPolarHBondContact O-CA 3.41Å; I677-V681 VanDerWaalsContact O-CB 3.25Å; I677-V681 WeakPolarHBondContact O-CB 3.49Å; I677-V681 PolarHBondContact O-N 3.37Å; V681-V683 PolarHBondContact O-N 2.86Å; V681-S684 PolarHBondContact O-N 3.49Å; V681-S685 VanDerWaalsContact CG1-C 3.43Å; V681-S685 PolarHBondContact O-N 3.42Å; V681-F686 HydrophobicContact CG1-CD1 4.14Å; V681-F686 HydrophobicContact CG1-CD2 4.45Å; V681-F686 HydrophobicContact CG1-CE1 4.24Å; V681-F686 HydrophobicContact CG1-CG 4.24Å; V681-F686 HydrophobicContact CG1-CZ 4.46Å; V681-F686 HydrophobicContact CG2-CD1 4.49Å; V681-F686 HydrophobicContact CG2-CE1 3.94Å; V681-F686 HydrophobicContact CG2-CZ 4.26Å |
| 682 | N | 63.3 | Low | 87.9 | Confident | 114 Ų | 114 | 47.7 Ų | 47.7 | 61% | 0.61 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.7 | -168.3 | -168.7 | 15.6 | 0 | 0 | 0 | 115.3 | N678 | N678-N682 WeakPolarHBondContact O-CB 3.48Š|
| 683 | V | 58.8 | Low | 87.8 | Confident | 142 Ų | 142 | 43.8 Ų | 43.8 | 86% | 0.861 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -23.4 | 175 | -175 | 0 | 0 | 0 | 0 | 112.5 | V681 | V681-V683 PolarHBondContact O-N 2.86Š|
| 684 | S | 58.9 | Low | 87.5 | Confident | 26 Ų | 26 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -12.3 | -163.6 | -47 | 0 | 0 | 0 | 0 | 115.3 | V681 R740 | V681-S684 PolarHBondContact O-N 3.49Å; S684-R740 PolarHBondContact O-NE 3.05Å |
| 685 | S | 83.1 | Confident | 87.2 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | trans | 49.3 | 168.3 | -162.2 | 81.3 | 0 | 0 | 0 | 0 | 113.3 | V681 H687 R738 | V681-S685 VanDerWaalsContact CG1-C 3.43Å; V681-S685 PolarHBondContact O-N 3.42Å; S685-H687 PolarHBondContact O-N 2.63Å; S685-R738 WeakPolarHBondContact CB-O 3.42Å; S685-R738 PolarHBondContact OG-O 2.8Å | ||
| 686 | F | 93.6 | Very high | 86.9 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | trans | -63.4 | 126 | 173.1 | -70.9 | -68.1 | 0 | 0 | 0 | 108.5 | H586 A588 W617 I677 V681 F688 V689 L731 A739 R740 | H586-F686 HydrophobicContact CB-CD1 4.07Å; A588-F686 HydrophobicContact CB-CD1 4.12Å; A588-F686 HydrophobicContact CB-CE1 4.3Å; A588-F686 HydrophobicContact CB-CG 4.44Å; W617-F686 HydrophobicContact CB-CE1 3.97Å; W617-F686 AromaticContact CD1-CE1 3.74Å; W617-F686 AromaticContact CD2-CE1 3.94Å; W617-F686 HydrophobicContact CD2-CE1 3.94Å; W617-F686 HydrophobicContact CD2-CZ 4.46Å; W617-F686 HydrophobicContact CG-CD1 4.49Å; W617-F686 AromaticContact CG-CE1 3.58Å; W617-F686 HydrophobicContact CG-CE1 3.58Å; W617-F686 HydrophobicContact CG-CZ 4.36Å; I677-F686 HydrophobicContact CD1-CZ 4.29Å; I677-F686 HydrophobicContact CG1-CZ 4.24Å; I677-F686 HydrophobicContact CG2-CE2 4.26Å; I677-F686 HydrophobicContact CG2-CZ 4.03Å; V681-F686 HydrophobicContact CG1-CD1 4.14Å; V681-F686 HydrophobicContact CG1-CD2 4.45Å; V681-F686 HydrophobicContact CG1-CE1 4.24Å; V681-F686 HydrophobicContact CG1-CG 4.24Å; V681-F686 HydrophobicContact CG1-CZ 4.46Å; V681-F686 HydrophobicContact CG2-CD1 4.49Å; V681-F686 HydrophobicContact CG2-CE1 3.94Å; V681-F686 HydrophobicContact CG2-CZ 4.26Å; F686-F688 VanDerWaalsContact C-N 3.34Å; F686-V689 HydrophobicContact CB-CG2 3.61Å; F686-V689 HydrophobicContact CD2-CG2 4.34Å; F686-V689 HydrophobicContact CG-CG2 4.1Å; F686-L731 HydrophobicContact CE2-CD1 4.21Å; F686-L731 HydrophobicContact CZ-CD1 4.39Å; F686-A739 HydrophobicContact CB-CB 3.89Å; F686-A739 CarbonylContact O-C 3.52Å; F686-A739 WeakPolarHBondContact O-CA 3.37Å; F686-A739 WeakPolarHBondContact O-CB 3.47Å; F686-R740 PolarHBondContact O-N 2.74Å | ||
| 687 | H | 95.4 | Very high | 86.6 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.046 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -71.7 | -37.2 | 179.8 | -66.4 | 98.7 | 0 | 0 | 0 | 110.5 | A578 I584 F585 H586 S685 T741 | A578-H687 HydrophobicContact CB-CB 4.36Å; I584-H687 PolarHBondContact O-CE1 3.17Å; F585-H687 HydrophobicContact CD2-CB 3.33Å; F585-H687 AromaticContact CD2-CG 3.82Å; F585-H687 HydrophobicContact CE2-CB 3.31Å; F585-H687 HydrophobicContact CZ-CB 4.45Å; H586-H687 AromaticContact CD2-CE1 3.9Å; H586-H687 AromaticContact CD2-ND1 3.81Å; H586-H687 PolarHBondContact N-ND1 3.22Å; H586-H687 PolarHBondContact O-N 2.83Å; S685-H687 PolarHBondContact O-N 2.63Å; H687-T741 PolarHBondContact O-N 3.3Å |
| 688 | F | 96.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 128.8 | 179 | -155.5 | -75.2 | 0 | 0 | 0 | 110.9 | L567 M571 A574 F585 H586 L587 A588 F686 T741 A743 | L567-F688 HydrophobicContact CD1-CE1 4.45Å; L567-F688 HydrophobicContact CD1-CZ 4.06Å; M571-F688 HydrophobicContact CB-CE2 4.31Å; M571-F688 HydrophobicContact CB-CZ 4.21Å; M571-F688 HydrophobicContact CE-CD1 3.98Å; M571-F688 HydrophobicContact CE-CE1 3.64Å; M571-F688 HydrophobicContact CE-CZ 4.31Å; M571-F688 HydrophobicContact CG-CD1 4.32Å; M571-F688 HydrophobicContact CG-CE1 4.35Å; M571-F688 HydrophobicContact CG-CG 4.4Å; M571-F688 HydrophobicContact CG-CZ 4.44Å; A574-F688 HydrophobicContact CB-CD2 3.75Å; A574-F688 HydrophobicContact CB-CE2 4.29Å; F585-F688 HydrophobicContact CE2-CB 3.93Å; F585-F688 HydrophobicContact CZ-CB 3.51Å; F585-F688 HydrophobicContact CZ-CG 4.36Å; H586-F688 PolarHBondContact O-N 3.04Å; L587-F688 WeakPolarHBondContact CA-O 3.21Å; L587-F688 HydrophobicContact CD1-CB 3.92Å; L587-F688 HydrophobicContact CD1-CD1 3.98Å; L587-F688 HydrophobicContact CD1-CG 4.28Å; A588-F688 PolarHBondContact N-O 3.02Å; F686-F688 VanDerWaalsContact C-N 3.34Å; F688-T741 CarbonylContact C-O 3.53Å; F688-T741 WeakPolarHBondContact CA-O 3.07Å; F688-T741 HydrophobicContact CD2-CG2 3.79Å; F688-T741 HydrophobicContact CE2-CG2 3.63Å; F688-T741 HydrophobicContact CG-CG2 4.48Å; F688-T741 HydrophobicContact CZ-CG2 4.18Å; F688-A743 HydrophobicContact CE1-CB 3.56Å; F688-A743 HydrophobicContact CZ-CB 3.67Å |
| 689 | V | 97.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119 | 173.7 | -179 | 0 | 0 | 0 | 0 | 108.4 | A588 V619 F686 L691 A739 T741 V742 A743 | A588-V689 HydrophobicContact CB-CB 4.37Å; A588-V689 HydrophobicContact CB-CG1 4.19Å; A588-V689 HydrophobicContact CB-CG2 4Å; A588-V689 WeakPolarHBondContact O-CA 3.37Å; V619-V689 HydrophobicContact CG2-CG1 4.07Å; F686-V689 HydrophobicContact CB-CG2 3.61Å; F686-V689 HydrophobicContact CD2-CG2 4.34Å; F686-V689 HydrophobicContact CG-CG2 4.1Å; V689-L691 HydrophobicContact CG1-CD2 3.79Å; V689-L691 HydrophobicContact CG1-CG 3.95Å; V689-A739 HydrophobicContact CB-CB 4.31Å; V689-A739 HydrophobicContact CG2-CB 3.4Å; V689-A739 VanDerWaalsContact CG2-CB 3.4Å; V689-T741 PolarHBondContact N-O 2.84Å; V689-V742 HydrophobicContact CB-CG2 4.25Å; V689-V742 CarbonylContact O-C 3.6Å; V689-V742 WeakPolarHBondContact O-CA 3.31Å; V689-A743 PolarHBondContact O-N 2.85Å |
| 690 | L | 96.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.2 | 173.8 | 179.6 | 68.7 | 0 | 0 | 0 | 110.3 | L567 M571 A588 L589 S590 P595 L598 A743 L745 | L567-L690 HydrophobicContact CD1-CD1 4.39Å; L567-L690 HydrophobicContact CD2-CD1 3.86Å; M571-L690 HydrophobicContact CE-CB 4.36Å; M571-L690 HydrophobicContact CE-CD2 4.26Å; A588-L690 PolarHBondContact O-N 2.98Å; L589-L690 HydrophobicContact CD2-CB 3.9Å; L589-L690 HydrophobicContact CD2-CD2 3.96Å; S590-L690 WeakPolarHBondContact CB-O 3.47Å; S590-L690 PolarHBondContact N-O 2.99Å; P595-L690 HydrophobicContact CB-CD2 3.98Å; L598-L690 HydrophobicContact CD2-CD2 3.35Å; L690-A743 HydrophobicContact CD1-CB 4.04Å; L690-L745 HydrophobicContact CD1-CB 4.18Å |
| 691 | L | 95.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.9 | -178.3 | -65.5 | -174.9 | 0 | 0 | 0 | 111.2 | V619 V689 A700 I736 V742 A743 L744 L745 V773 | V619-L691 HydrophobicContact CG1-CD2 3.6Å; V619-L691 HydrophobicContact CG2-CD2 4.23Å; V689-L691 HydrophobicContact CG1-CD2 3.79Å; V689-L691 HydrophobicContact CG1-CG 3.95Å; L691-A700 HydrophobicContact CD2-CB 4.16Å; L691-I736 HydrophobicContact CD1-CD1 4.38Å; L691-I736 HydrophobicContact CD1-CG2 3.84Å; L691-I736 HydrophobicContact CD2-CD1 4.36Å; L691-V742 HydrophobicContact CD1-CG1 3.72Å; L691-V742 HydrophobicContact CG-CG1 4.18Å; L691-A743 PolarHBondContact N-O 2.84Å; L691-L744 HydrophobicContact CB-CD2 3.52Å; L691-L744 HydrophobicContact CB-CG 4.41Å; L691-L744 HydrophobicContact CD1-CD2 4.01Å; L691-L744 HydrophobicContact CG-CD2 4.4Å; L691-L744 WeakPolarHBondContact O-CA 3.47Å; L691-L745 PolarHBondContact O-N 2.74Å; L691-V773 HydrophobicContact CD1-CG1 4.01Å; L691-V773 HydrophobicContact CD1-CG2 3.89Å |
| 692 | G | 92.7 | Very high | 86.9 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 161.9 | 165 | 0 | 0 | 0 | 0 | 0 | 112 | T699 | G692-T699 WeakPolarHBondContact O-CB 3.24Å; G692-T699 PolarHBondContact O-OG1 2.93Å |
| 693 | V | 91.4 | Very high | 88.1 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | trans | -119.3 | 119.4 | 174.8 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | L744 V746 K751 L754 V770 W782 | V693-L744 HydrophobicContact CG2-CD2 3.86Å; V693-V746 HydrophobicContact CB-CG2 4.01Å; V693-V746 HydrophobicContact CG2-CG2 3.65Å; V693-K751 WeakPolarHBondContact O-CE 3.49Å; V693-K751 PolarHBondContact O-NZ 2.95Å; V693-L754 HydrophobicContact CG1-CD2 3.84Å; V693-V770 HydrophobicContact CG1-CB 4.37Å; V693-V770 HydrophobicContact CG1-CG1 4.26Å; V693-V770 HydrophobicContact CG1-CG2 4.28Å; V693-V770 HydrophobicContact CG2-CG2 3.87Å; V693-W782 HydrophobicContact CG2-CZ3 4.42Å | ||
| 694 | G | 88.3 | Confident | 89.4 | Confident | 7 Ų | 7 | 21.1 Ų | 21.1 | 7% | 0.072 | 11% | 0.111 | C | C | . | . | trans | -67.5 | 163.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D696 G697 H698 L754 | G694-D696 PolarHBondContact O-N 3.11Å; G694-G697 PolarHBondContact O-N 3.47Å; G694-G697 VanDerWaalsContact O-N 3.09Å; G694-H698 VanDerWaalsContact CA-CE1 3.49Å; G694-H698 WeakPolarHBondContact CA-CE1 3.41Å; G694-H698 PolarHBondContact N-O 3.45Å; G694-L754 WeakPolarHBondContact O-CD2 3.4Å | ||
| 695 | Y | 87.1 | Confident | 90.2 | Very high | 167 Ų | 167 | 23 Ų | 23 | 66% | 0.655 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.3 | -178.6 | -72.7 | -84.8 | 0 | 0 | 0 | 113.6 | G750 K751 | Y695-G750 WeakPolarHBondContact CD1-O 3.48Å; Y695-G750 VanDerWaalsContact CE1-O 3.28Å; Y695-G750 WeakPolarHBondContact CE1-O 3.49Å; Y695-K751 HydrophobicContact CD1-CD 3.91Å; Y695-K751 HydrophobicContact CE1-CD 3.89Å; Y695-K751 HydrophobicContact CG-CD 4.39Å; Y695-K751 VanDerWaalsContact N-NZ 3.12Å |
| 696 | D | 86.7 | Confident | 89.7 | Confident | 56 Ų | 56 | 23.2 Ų | 23.2 | 30% | 0.299 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5 | 174.8 | 58.6 | -5.7 | 0 | 0 | 0 | 112.5 | G694 H698 P704 | G694-D696 PolarHBondContact O-N 3.11Å; D696-H698 VanDerWaalsContact C-N 3.35Å; D696-H698 IonicContact OD1-CE1 3.24Å; D696-H698 IonicContact OD1-CG 3.71Å; D696-H698 PolarHBondContact OD1-N 2.9Å; D696-H698 VanDerWaalsContact OD1-N 3.1Å; D696-H698 IonicContact OD1-ND1 2.67Å; D696-H698 PolarHBondContact OD1-ND1 3.33Å; D696-H698 IonicContact OD2-ND1 3.71Å; D696-H698 PolarHBondContact OD2-ND1 3.38Å; D696-P704 HydrophobicContact CB-CG 4.23Å; D696-P704 WeakPolarHBondContact O-CG 3.36Å |
| 697 | G | 86.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 77.2 | 12.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G694 P769 V770 | G694-G697 PolarHBondContact O-N 3.47Å; G694-G697 VanDerWaalsContact O-N 3.09Å; G697-P769 WeakPolarHBondContact O-CD 3.43Å; G697-V770 WeakPolarHBondContact O-CB 3.28Å; G697-V770 WeakPolarHBondContact O-CG1 3.21Å; G697-V770 PolarHBondContact O-N 3.15Å |
| 698 | H | 91 | Very high | 86.6 | Confident | 48 Ų | 48 | 32.6 Ų | 32.6 | 22% | 0.222 | 18% | 0.184 | C | C | . | . | trans | -66.7 | 156.1 | 168 | 81.1 | -103.6 | 0 | 0 | 0 | 111.4 | G694 D696 L702 F703 | G694-H698 VanDerWaalsContact CA-CE1 3.49Å; G694-H698 WeakPolarHBondContact CA-CE1 3.41Å; G694-H698 PolarHBondContact N-O 3.45Å; D696-H698 VanDerWaalsContact C-N 3.35Å; D696-H698 IonicContact OD1-CE1 3.24Å; D696-H698 IonicContact OD1-CG 3.71Å; D696-H698 PolarHBondContact OD1-N 2.9Å; D696-H698 VanDerWaalsContact OD1-N 3.1Å; D696-H698 IonicContact OD1-ND1 2.67Å; D696-H698 PolarHBondContact OD1-ND1 3.33Å; D696-H698 IonicContact OD2-ND1 3.71Å; D696-H698 PolarHBondContact OD2-ND1 3.38Å; H698-L702 WeakPolarHBondContact CA-O 3.41Å; H698-L702 WeakPolarHBondContact CB-O 3.27Å; H698-F703 HydrophobicContact CB-CD1 3.75Å; H698-F703 HydrophobicContact CB-CE1 4.14Å; H698-F703 HydrophobicContact CB-CG 4.29Å; H698-F703 AromaticContact CD2-CE1 3.84Å; H698-F703 AromaticContact CE1-CE1 3.68Å; H698-F703 AromaticContact CG-CD1 3.74Å; H698-F703 AromaticContact CG-CE1 3.61Å; H698-F703 AromaticContact ND1-CD1 3.77Å; H698-F703 AromaticContact ND1-CE1 3.47Å; H698-F703 WeakPolarHBondContact ND1-CE1 3.39Å; H698-F703 AromaticContact NE2-CE1 3.92Å | ||
| 699 | T | 91.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -148 | 151.6 | 170.6 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | G692 S701 L702 F733 V770 V773 | G692-T699 WeakPolarHBondContact O-CB 3.24Å; G692-T699 PolarHBondContact O-OG1 2.93Å; T699-S701 PolarHBondContact O-N 3.26Å; T699-S701 VanDerWaalsContact O-N 3.07Å; T699-L702 WeakPolarHBondContact O-CA 3.3Å; T699-L702 WeakPolarHBondContact O-CB 3.41Å; T699-L702 WeakPolarHBondContact O-CG 3.4Å; T699-L702 PolarHBondContact O-N 2.84Å; T699-F733 HydrophobicContact CG2-CE1 4.44Å; T699-V770 HydrophobicContact CG2-CB 4.28Å; T699-V770 HydrophobicContact CG2-CG2 4.4Å; T699-V773 HydrophobicContact CG2-CG2 3.86Å |
| 700 | A | 90.1 | Very high | 81.9 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 29 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V619 D620 L691 L702 S730 I736 | V619-A700 HydrophobicContact CG1-CB 3.29Å; D620-A700 WeakPolarHBondContact CB-O 3.37Å; L691-A700 HydrophobicContact CD2-CB 4.16Å; A700-L702 HydrophobicContact CB-CD1 4.2Å; A700-L702 HydrophobicContact CB-CG 4.23Å; A700-L702 PolarHBondContact O-N 3.44Å; A700-S730 WeakPolarHBondContact O-CB 3.46Å; A700-S730 PolarHBondContact O-OG 3.07Å; A700-I736 HydrophobicContact CB-CD1 3.84Å |
| 701 | S | 89.9 | Confident | 79.7 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 25.1 | -169.1 | -68.8 | 0 | 0 | 0 | 0 | 115.3 | D620 T699 F703 T719 | D620-S701 PolarHBondContact OD2-OG 2.84Å; T699-S701 PolarHBondContact O-N 3.26Å; T699-S701 VanDerWaalsContact O-N 3.07Å; S701-F703 VanDerWaalsContact O-CD2 3.23Å; S701-F703 WeakPolarHBondContact O-CD2 3.34Å; S701-F703 VanDerWaalsContact O-CE2 3.31Å; S701-F703 WeakPolarHBondContact O-CE2 3.38Å; S701-T719 WeakPolarHBondContact O-CB 3.36Å; S701-T719 PolarHBondContact O-OG1 3.12Å |
| 702 | L | 90.1 | Very high | 77.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 100.3 | 170.2 | -51.8 | 169.3 | 0 | 0 | 0 | 108.7 | H698 T699 A700 L708 T719 S730 F733 I736 P769 | H698-L702 WeakPolarHBondContact CA-O 3.41Å; H698-L702 WeakPolarHBondContact CB-O 3.27Å; T699-L702 WeakPolarHBondContact O-CA 3.3Å; T699-L702 WeakPolarHBondContact O-CB 3.41Å; T699-L702 WeakPolarHBondContact O-CG 3.4Å; T699-L702 PolarHBondContact O-N 2.84Å; A700-L702 HydrophobicContact CB-CD1 4.2Å; A700-L702 HydrophobicContact CB-CG 4.23Å; A700-L702 PolarHBondContact O-N 3.44Å; L702-L708 HydrophobicContact CB-CD1 4.16Å; L702-L708 HydrophobicContact CB-CD2 4.22Å; L702-L708 HydrophobicContact CD2-CD2 3.43Å; L702-L708 VanDerWaalsContact CD2-CD2 3.43Å; L702-L708 HydrophobicContact CG-CD2 4.35Å; L702-T719 HydrophobicContact CD2-CG2 4.08Å; L702-S730 WeakPolarHBondContact CD2-OG 3.43Å; L702-F733 HydrophobicContact CB-CE2 4.44Å; L702-F733 HydrophobicContact CB-CZ 4.28Å; L702-F733 HydrophobicContact CD1-CD1 4.1Å; L702-F733 HydrophobicContact CD1-CD2 4.05Å; L702-F733 HydrophobicContact CD1-CE1 3.72Å; L702-F733 HydrophobicContact CD1-CE2 3.66Å; L702-F733 HydrophobicContact CD1-CG 4.25Å; L702-F733 HydrophobicContact CD1-CZ 3.48Å; L702-F733 VanDerWaalsContact CD1-CZ 3.48Å; L702-I736 HydrophobicContact CD1-CD1 4.23Å; L702-P769 HydrophobicContact CB-CB 4.42Å; L702-P769 VanDerWaalsContact O-CB 3.25Å; L702-P769 WeakPolarHBondContact O-CB 3.46Å; L702-P769 VanDerWaalsContact O-CG 3.3Å; L702-P769 WeakPolarHBondContact O-CG 3.47Å |
| 703 | F | 88.8 | Confident | 76.4 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | trans | -92.2 | 152.9 | -170.7 | -65 | -85.6 | 0 | 0 | 0 | 113.8 | H698 S701 G706 E720 S721 P722 | H698-F703 HydrophobicContact CB-CD1 3.75Å; H698-F703 HydrophobicContact CB-CE1 4.14Å; H698-F703 HydrophobicContact CB-CG 4.29Å; H698-F703 AromaticContact CD2-CE1 3.84Å; H698-F703 AromaticContact CE1-CE1 3.68Å; H698-F703 AromaticContact CG-CD1 3.74Å; H698-F703 AromaticContact CG-CE1 3.61Å; H698-F703 AromaticContact ND1-CD1 3.77Å; H698-F703 AromaticContact ND1-CE1 3.47Å; H698-F703 WeakPolarHBondContact ND1-CE1 3.39Å; H698-F703 AromaticContact NE2-CE1 3.92Å; S701-F703 VanDerWaalsContact O-CD2 3.23Å; S701-F703 WeakPolarHBondContact O-CD2 3.34Å; S701-F703 VanDerWaalsContact O-CE2 3.31Å; S701-F703 WeakPolarHBondContact O-CE2 3.38Å; F703-G706 PolarHBondContact O-N 3.22Å; F703-E720 VanDerWaalsContact CD2-O 3.3Å; F703-E720 WeakPolarHBondContact CD2-O 3.47Å; F703-S721 VanDerWaalsContact CE2-CB 3.47Å; F703-S721 WeakPolarHBondContact CZ-OG 2.88Å; F703-P722 VanDerWaalsContact CD1-CD 3.45Å; F703-P722 HydrophobicContact CD1-CG 4.1Å; F703-P722 HydrophobicContact CE1-CG 4.4Å | ||
| 704 | P | 86.1 | Confident | 76 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 138.3 | 171.6 | -25.6 | 33.7 | 0 | 0 | 0 | 112.2 | D696 G706 E766 P769 | D696-P704 HydrophobicContact CB-CG 4.23Å; D696-P704 WeakPolarHBondContact O-CG 3.36Å; P704-G706 PolarHBondContact O-N 2.88Å; P704-E766 CarbonylContact C-O 3.48Å; P704-E766 VanDerWaalsContact CA-O 3.28Å; P704-E766 WeakPolarHBondContact CA-O 3.27Å; P704-E766 VanDerWaalsContact CB-O 3.27Å; P704-E766 WeakPolarHBondContact CB-O 3.22Å; P704-P769 HydrophobicContact CG-CG 4.19Å |
| 705 | G | 75.9 | Confident | 76.1 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 4.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E766 | G705-E766 PolarHBondContact N-O 3.36Š|
| 706 | G | 72.9 | Confident | 76.3 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | trans | -67.7 | 154 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F703 P704 L708 | F703-G706 PolarHBondContact O-N 3.22Å; P704-G706 PolarHBondContact O-N 2.88Å; G706-L708 PolarHBondContact O-N 2.89Å | ||
| 707 | K | 64.8 | Low | 76.5 | Confident | 173 Ų | 173 | 45 Ų | 45 | 75% | 0.752 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -72 | 56.6 | 175.4 | -65 | -172.9 | 175.5 | -169 | 0 | 112.6 | ||
| 708 | L | 59 | Low | 76.7 | Confident | 39 Ų | 39 | 47.1 Ų | 47.1 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -18.5 | -173.8 | -70.5 | 162.2 | 0 | 0 | 0 | 113.2 | L702 G706 F733 | L702-L708 HydrophobicContact CB-CD1 4.16Å; L702-L708 HydrophobicContact CB-CD2 4.22Å; L702-L708 HydrophobicContact CD2-CD2 3.43Å; L702-L708 VanDerWaalsContact CD2-CD2 3.43Å; L702-L708 HydrophobicContact CG-CD2 4.35Å; G706-L708 PolarHBondContact O-N 2.89Å; L708-F733 HydrophobicContact CD1-CE2 4.4Å |
| 709 | N | 48.8 | Very low | 76.6 | Confident | 135 Ų | 135 | 45.7 Ų | 45.7 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.8 | 179.5 | -80.5 | -16.6 | 0 | 0 | 0 | 114.3 | L765 | N709-L765 WeakPolarHBondContact OD1-CD2 3.37Š|
| 710 | E | 47.1 | Very low | 76.4 | Confident | 149 Ų | 149 | 52.6 Ų | 52.6 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -92.6 | -14.6 | -176.6 | -70.1 | -178.3 | 172.5 | 0 | 0 | 113.5 | G712 | E710-G712 VanDerWaalsContact C-N 3.33Å; E710-G712 PolarHBondContact O-N 2.83Å |
| 711 | A | 48.3 | Very low | 76.2 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | trans | -83.4 | 73.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G713 | A711-G713 PolarHBondContact O-N 2.94Å; A711-G713 VanDerWaalsContact O-N 3.1Å | ||
| 712 | G | 52.6 | Low | 75.7 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 75% | 0.753 | 36% | 0.359 | S | S | * | . | trans | -52.9 | 115.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E710 S714 | E710-G712 VanDerWaalsContact C-N 3.33Å; E710-G712 PolarHBondContact O-N 2.83Å; G712-S714 PolarHBondContact O-N 3.48Å | ||
| 713 | G | 66.9 | Low | 75.2 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 68.3 | -12.7 | 166 | 0 | 0 | 0 | 0 | 0 | 118.4 | A711 | A711-G713 PolarHBondContact O-N 2.94Å; A711-G713 VanDerWaalsContact O-N 3.1Å |
| 714 | S | 84.1 | Confident | 74.5 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 20% | 0.196 | 42% | 0.418 | C | S | . | . | trans | -68.1 | 137.5 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | E674 G712 V716 T732 | E674-S714 WeakPolarHBondContact OE1-CA 3.38Å; E674-S714 PolarHBondContact OE2-OG 3.26Å; G712-S714 PolarHBondContact O-N 3.48Å; S714-V716 PolarHBondContact OG-N 3.23Å; S714-V716 PolarHBondContact OG-O 3.41Å; S714-T732 WeakPolarHBondContact O-CG2 3.2Å; S714-T732 PolarHBondContact O-OG1 3.44Å | ||
| 715 | L | 89.2 | Confident | 74.2 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -79.9 | -23 | 176.4 | -59.9 | -175.9 | 0 | 0 | 0 | 113.4 | E674 I677 N678 L731 T732 A735 | E674-L715 HydrophobicContact CG-CB 4.02Å; E674-L715 HydrophobicContact CG-CD1 4.33Å; E674-L715 HydrophobicContact CG-CG 4.28Å; E674-L715 PolarHBondContact OE1-N 3.12Å; I677-L715 HydrophobicContact CB-CD1 4.47Å; I677-L715 HydrophobicContact CG2-CD1 3.81Å; N678-L715 WeakPolarHBondContact OD1-CD1 3.19Å; L715-L731 WeakPolarHBondContact O-CA 3.46Å; L715-T732 PolarHBondContact O-N 2.85Å; L715-T732 PolarHBondContact O-OG1 3.06Å; L715-A735 HydrophobicContact CB-CB 4Å; L715-A735 HydrophobicContact CD2-CB 3.97Å; L715-A735 WeakPolarHBondContact O-CB 3.48Å |
| 716 | V | 92.3 | Very high | 74.5 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.1 | -173.6 | -170 | 0 | 0 | 0 | 0 | 109.4 | A670 Y673 E674 I677 S714 M729 S730 L731 | A670-V716 HydrophobicContact CB-CB 4.31Å; A670-V716 HydrophobicContact CB-CG1 3.96Å; Y673-V716 HydrophobicContact CD1-CG1 4.16Å; Y673-V716 HydrophobicContact CD1-CG2 3.77Å; E674-V716 HydrophobicContact CB-CB 4.37Å; E674-V716 HydrophobicContact CB-CG2 3.9Å; I677-V716 HydrophobicContact CD1-CG2 3.87Å; S714-V716 PolarHBondContact OG-N 3.23Å; S714-V716 PolarHBondContact OG-O 3.41Å; V716-M729 HydrophobicContact CG1-CG 3.77Å; V716-M729 HydrophobicContact CG1-SD 4.14Å; V716-S730 WeakPolarHBondContact CA-O 3.22Å; V716-L731 HydrophobicContact CG2-CD2 4.03Å |
| 717 | A | 91.1 | Very high | 75.4 | Confident | 20 Ų | 20 | 71.9 Ų | 71.9 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 154.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S730 T732 | A717-S730 PolarHBondContact N-O 3.08Å; A717-S730 PolarHBondContact O-N 2.51Å; A717-T732 HydrophobicContact CB-CG2 3.73Å |
| 718 | L | 90.6 | Very high | 76.6 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.9 | 162.9 | -63.8 | -178.2 | 0 | 0 | 0 | 109.1 | C663 E665 R728 M729 | C663-L718 HydrophobicContact CB-CD1 4.37Å; C663-L718 HydrophobicContact CB-CD2 3.99Å; C663-L718 WeakPolarHBondContact O-CD1 3.48Å; E665-L718 HydrophobicContact CG-CD1 3.63Å; L718-R728 CarbonylContact C-O 3.51Å; L718-R728 VanDerWaalsContact CA-O 3.27Å; L718-R728 WeakPolarHBondContact CA-O 3.36Å; L718-M729 HydrophobicContact CD2-CB 4Å; L718-M729 HydrophobicContact CD2-CE 4.03Å; L718-M729 HydrophobicContact CD2-CG 4.26Å |
| 719 | T | 88.9 | Confident | 78.3 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 160.3 | 179.7 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | S701 L702 R728 | S701-T719 WeakPolarHBondContact O-CB 3.36Å; S701-T719 PolarHBondContact O-OG1 3.12Å; L702-T719 HydrophobicContact CD2-CG2 4.08Å; T719-R728 PolarHBondContact N-O 3.01Å; T719-R728 PolarHBondContact O-N 2.72Å; T719-R728 WeakPolarHBondContact OG1-CB 3.4Å |
| 720 | E | 86.9 | Confident | 80.4 | Confident | 146 Ų | 146 | 55.6 Ų | 55.6 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.1 | -179.8 | -164.4 | 172 | -168.7 | 0 | 0 | 110.2 | F703 H726 | F703-E720 VanDerWaalsContact CD2-O 3.3Å; F703-E720 WeakPolarHBondContact CD2-O 3.47Å; E720-H726 CarbonylContact C-O 3.5Å; E720-H726 HydrophobicContact CG-CB 4.32Å |
| 721 | S | 84.7 | Confident | 82.7 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | trans | -94.1 | 141.2 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | F703 I723 H726 | F703-S721 VanDerWaalsContact CE2-CB 3.47Å; F703-S721 WeakPolarHBondContact CZ-OG 2.88Å; S721-I723 WeakPolarHBondContact CB-O 3.5Å; S721-I723 PolarHBondContact O-N 3.37Å; S721-I723 PolarHBondContact OG-N 2.88Å; S721-I723 PolarHBondContact OG-O 2.83Å; S721-H726 WeakPolarHBondContact CB-O 3.47Å; S721-H726 PolarHBondContact N-O 3.5Å; S721-H726 PolarHBondContact O-ND1 3.34Å | ||
| 722 | P | 81.1 | Confident | 84.7 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 58% | 0.584 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -67.2 | -12.9 | 171.7 | 27.9 | -33.8 | 0 | 0 | 0 | 112.8 | F703 | F703-P722 VanDerWaalsContact CD1-CD 3.45Å; F703-P722 HydrophobicContact CD1-CG 4.1Å; F703-P722 HydrophobicContact CE1-CG 4.4Å |
| 723 | I | 78.3 | Confident | 86.5 | Confident | 120 Ų | 120 | 44.8 Ų | 44.8 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -117.6 | 136.1 | -177.2 | -56 | 173.4 | 0 | 0 | 0 | 109.7 | S721 P725 | S721-I723 WeakPolarHBondContact CB-O 3.5Å; S721-I723 PolarHBondContact O-N 3.37Å; S721-I723 PolarHBondContact OG-N 2.88Å; S721-I723 PolarHBondContact OG-O 2.83Å; I723-P725 CarbonylContact O-C 3.4Å |
| 724 | K | 75.8 | Confident | 87.5 | Confident | 162 Ų | 162 | 44.4 Ų | 44.4 | 70% | 0.704 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -59.8 | 144.7 | 176.5 | -74.2 | -172.9 | 178.4 | -176.3 | 0 | 112.2 | H726 | K724-H726 WeakPolarHBondContact CG-NE2 3.38Š|
| 725 | P | 79.1 | Confident | 87.8 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | S | Bend | cis | -64 | 137.7 | -9.2 | -8.7 | 19.2 | 0 | 0 | 0 | 110.8 | R622 V624 I723 R728 | R622-P725 HydrophobicContact CB-CG 4.39Å; V624-P725 HydrophobicContact CG1-CB 4.23Å; V624-P725 HydrophobicContact CG1-CG 3.66Å; I723-P725 CarbonylContact O-C 3.4Å; P725-R728 PolarHBondContact O-NH1 2.74Å; P725-R728 PolarHBondContact O-NH2 2.65Å |
| 726 | H | 82.8 | Confident | 88 | Confident | 77 Ų | 77 | 43 Ų | 43 | 36% | 0.356 | 22% | 0.224 | S | C | . | . | trans | -72.6 | -48.8 | -172.1 | -70.6 | -69.3 | 0 | 0 | 0 | 112.6 | E720 S721 K724 | E720-H726 CarbonylContact C-O 3.5Å; E720-H726 HydrophobicContact CG-CB 4.32Å; S721-H726 WeakPolarHBondContact CB-O 3.47Å; S721-H726 PolarHBondContact N-O 3.5Å; S721-H726 PolarHBondContact O-ND1 3.34Å; K724-H726 WeakPolarHBondContact CG-NE2 3.38Å | ||
| 727 | Q | 90.2 | Very high | 88 | Confident | 96 Ų | 96 | 43.5 Ų | 43.5 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 143.2 | 179.6 | -76.3 | -176.4 | -18.8 | 0 | 0 | 112.7 | C623 | C623-Q727 HydrophobicContact CB-CB 3.93Å; C623-Q727 PolarHBondContact N-O 2.87Å; C623-Q727 VanDerWaalsContact SG-CB 3.55Å; C623-Q727 PolarHBondContact SG-O 3.33Å; C623-Q727 VanDerWaalsContact SG-O 3.33Å |
| 728 | R | 91.6 | Very high | 88 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.2 | 178.4 | -64.6 | -77 | 177.1 | -86.6 | -13 | 109.2 | E621 R622 C623 L718 T719 P725 | E621-R728 CarbonylContact O-C 3.37Å; E621-R728 VanDerWaalsContact O-CA 3.31Å; E621-R728 WeakPolarHBondContact O-CA 3.48Å; R622-R728 VanDerWaalsContact CB-NH1 3.28Å; R622-R728 VanDerWaalsContact CD-CZ 3.45Å; R622-R728 VanDerWaalsContact CG-CZ 3.45Å; C623-R728 PolarHBondContact SG-N 3.28Å; L718-R728 CarbonylContact C-O 3.51Å; L718-R728 VanDerWaalsContact CA-O 3.27Å; L718-R728 WeakPolarHBondContact CA-O 3.36Å; T719-R728 PolarHBondContact N-O 3.01Å; T719-R728 PolarHBondContact O-N 2.72Å; T719-R728 WeakPolarHBondContact OG1-CB 3.4Å; P725-R728 PolarHBondContact O-NH1 2.74Å; P725-R728 PolarHBondContact O-NH2 2.65Å |
| 729 | M | 93.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.9 | 162.1 | -173.7 | 179 | -66.5 | 0 | 0 | 108 | D620 E621 M654 V656 A670 V716 L718 | D620-M729 CarbonylContact C-O 3.59Å; D620-M729 VanDerWaalsContact CA-O 3.25Å; D620-M729 WeakPolarHBondContact CA-O 3.48Å; E621-M729 PolarHBondContact N-O 3.1Å; E621-M729 PolarHBondContact O-N 2.87Å; M654-M729 HydrophobicContact CB-SD 3.84Å; M654-M729 HydrophobicContact CE-CG 4.35Å; M654-M729 HydrophobicContact CG-CG 4.34Å; M654-M729 HydrophobicContact CG-SD 3.95Å; M654-M729 HydrophobicContact SD-CB 3.83Å; M654-M729 HydrophobicContact SD-CG 3.75Å; M654-M729 VanDerWaalsContact SD-O 3.38Å; M654-M729 HydrophobicContact SD-SD 4.15Å; V656-M729 HydrophobicContact CG1-CB 3.91Å; V656-M729 HydrophobicContact CG1-CE 4.26Å; V656-M729 HydrophobicContact CG1-SD 4.43Å; A670-M729 HydrophobicContact CB-CE 4.46Å; V716-M729 HydrophobicContact CG1-CG 3.77Å; V716-M729 HydrophobicContact CG1-SD 4.14Å; L718-M729 HydrophobicContact CD2-CB 4Å; L718-M729 HydrophobicContact CD2-CE 4.03Å; L718-M729 HydrophobicContact CD2-CG 4.26Å |
| 730 | S | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.3 | -169.7 | 173 | 0 | 0 | 0 | 0 | 112.2 | A700 L702 V716 A717 | A700-S730 WeakPolarHBondContact O-CB 3.46Å; A700-S730 PolarHBondContact O-OG 3.07Å; L702-S730 WeakPolarHBondContact CD2-OG 3.43Å; V716-S730 WeakPolarHBondContact CA-O 3.22Å; A717-S730 PolarHBondContact N-O 3.08Å; A717-S730 PolarHBondContact O-N 2.51Å |
| 731 | L | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 129.8 | 161.6 | -66.6 | -173.2 | 0 | 0 | 0 | 110.2 | A588 V619 M654 Y673 I677 F686 L715 V716 A735 I736 | A588-L731 HydrophobicContact CB-CD1 4.45Å; V619-L731 HydrophobicContact CB-CD1 4.41Å; V619-L731 HydrophobicContact CG2-CD1 4.21Å; V619-L731 PolarHBondContact O-N 3.29Å; M654-L731 HydrophobicContact CE-CD2 4.33Å; M654-L731 HydrophobicContact CE-CG 4.22Å; Y673-L731 HydrophobicContact CD1-CD2 4.49Å; Y673-L731 HydrophobicContact CE1-CD2 4.04Å; I677-L731 HydrophobicContact CD1-CD2 3.68Å; F686-L731 HydrophobicContact CE2-CD1 4.21Å; F686-L731 HydrophobicContact CZ-CD1 4.39Å; L715-L731 WeakPolarHBondContact O-CA 3.46Å; V716-L731 HydrophobicContact CG2-CD2 4.03Å; L731-A735 HydrophobicContact CB-CB 4.24Å; L731-A735 HydrophobicContact CD2-CB 4.29Å; L731-I736 HydrophobicContact CB-CD1 4.5Å; L731-I736 HydrophobicContact CB-CG1 4.19Å |
| 732 | T | 92 | Very high | 89.4 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | trans | -77.3 | 167.4 | 177.2 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | S714 L715 A717 S734 A735 I736 | S714-T732 WeakPolarHBondContact O-CG2 3.2Å; S714-T732 PolarHBondContact O-OG1 3.44Å; L715-T732 PolarHBondContact O-N 2.85Å; L715-T732 PolarHBondContact O-OG1 3.06Å; A717-T732 HydrophobicContact CB-CG2 3.73Å; T732-S734 PolarHBondContact O-N 2.78Å; T732-S734 VanDerWaalsContact O-N 3.17Å; T732-S734 WeakPolarHBondContact OG1-CB 3.17Å; T732-S734 PolarHBondContact OG1-N 3.12Å; T732-A735 PolarHBondContact O-N 2.72Å; T732-I736 WeakPolarHBondContact O-CG1 3.27Å; T732-I736 PolarHBondContact O-N 3.42Å | ||
| 733 | F | 89.9 | Confident | 90.1 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.3 | -28.8 | 171 | -66 | -65.4 | 0 | 0 | 0 | 112.6 | T699 L702 L708 A735 I736 N737 L765 P769 W772 V773 | T699-F733 HydrophobicContact CG2-CE1 4.44Å; L702-F733 HydrophobicContact CB-CE2 4.44Å; L702-F733 HydrophobicContact CB-CZ 4.28Å; L702-F733 HydrophobicContact CD1-CD1 4.1Å; L702-F733 HydrophobicContact CD1-CD2 4.05Å; L702-F733 HydrophobicContact CD1-CE1 3.72Å; L702-F733 HydrophobicContact CD1-CE2 3.66Å; L702-F733 HydrophobicContact CD1-CG 4.25Å; L702-F733 HydrophobicContact CD1-CZ 3.48Å; L702-F733 VanDerWaalsContact CD1-CZ 3.48Å; L708-F733 HydrophobicContact CD1-CE2 4.4Å; F733-A735 VanDerWaalsContact C-N 3.27Å; F733-A735 PolarHBondContact O-N 2.84Å; F733-I736 PolarHBondContact O-N 2.87Å; F733-N737 WeakPolarHBondContact O-CB 3.22Å; F733-N737 PolarHBondContact O-N 2.79Å; F733-L765 HydrophobicContact CD2-CD1 4.34Å; F733-L765 HydrophobicContact CE2-CD1 3.59Å; F733-L765 HydrophobicContact CZ-CD1 4.15Å; F733-P769 WeakPolarHBondContact CE1-O 3.22Å; F733-P769 HydrophobicContact CZ-CB 4.08Å; F733-P769 WeakPolarHBondContact CZ-O 3.23Å; F733-W772 HydrophobicContact CD1-CB 4.12Å; F733-W772 HydrophobicContact CD2-CB 4.34Å; F733-W772 HydrophobicContact CE1-CB 3.91Å; F733-W772 HydrophobicContact CE2-CB 4.14Å; F733-W772 HydrophobicContact CG-CB 4.34Å; F733-W772 HydrophobicContact CZ-CB 3.93Å; F733-V773 HydrophobicContact CD1-CG2 4.34Å; F733-V773 HydrophobicContact CE1-CG2 3.89Å |
| 734 | S | 88.4 | Confident | 91 | Very high | 46 Ų | 46 | 33.5 Ų | 33.5 | 32% | 0.322 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.3 | -29.8 | 175 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | T732 R738 | T732-S734 PolarHBondContact O-N 2.78Å; T732-S734 VanDerWaalsContact O-N 3.17Å; T732-S734 WeakPolarHBondContact OG1-CB 3.17Å; T732-S734 PolarHBondContact OG1-N 3.12Å; S734-R738 VanDerWaalsContact O-CD 3.28Å; S734-R738 WeakPolarHBondContact O-CD 3.39Å; S734-R738 VanDerWaalsContact O-CG 3.28Å; S734-R738 WeakPolarHBondContact O-CG 3.3Å; S734-R738 PolarHBondContact O-NE 2.68Å; S734-R738 VanDerWaalsContact O-NE 3.11Å |
| 735 | A | 90.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -83.5 | -46.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | L715 L731 T732 F733 N737 R738 | L715-A735 HydrophobicContact CB-CB 4Å; L715-A735 HydrophobicContact CD2-CB 3.97Å; L715-A735 WeakPolarHBondContact O-CB 3.48Å; L731-A735 HydrophobicContact CB-CB 4.24Å; L731-A735 HydrophobicContact CD2-CB 4.29Å; T732-A735 PolarHBondContact O-N 2.72Å; F733-A735 VanDerWaalsContact C-N 3.27Å; F733-A735 PolarHBondContact O-N 2.84Å; A735-N737 PolarHBondContact O-N 3.09Å; A735-R738 PolarHBondContact O-N 3.18Å |
| 736 | I | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.4 | -45.9 | -176.6 | -67.2 | 168.5 | 0 | 0 | 0 | 111.1 | L691 A700 L702 L731 T732 F733 R738 A739 V742 V773 | L691-I736 HydrophobicContact CD1-CD1 4.38Å; L691-I736 HydrophobicContact CD1-CG2 3.84Å; L691-I736 HydrophobicContact CD2-CD1 4.36Å; A700-I736 HydrophobicContact CB-CD1 3.84Å; L702-I736 HydrophobicContact CD1-CD1 4.23Å; L731-I736 HydrophobicContact CB-CD1 4.5Å; L731-I736 HydrophobicContact CB-CG1 4.19Å; T732-I736 WeakPolarHBondContact O-CG1 3.27Å; T732-I736 PolarHBondContact O-N 3.42Å; F733-I736 PolarHBondContact O-N 2.87Å; I736-R738 PolarHBondContact O-N 2.82Å; I736-A739 VanDerWaalsContact O-CB 3.28Å; I736-A739 WeakPolarHBondContact O-CB 3.43Å; I736-A739 PolarHBondContact O-N 3Å; I736-A739 VanDerWaalsContact O-N 3.16Å; I736-V742 HydrophobicContact CG2-CG1 4.38Å; I736-V742 HydrophobicContact CG2-CG2 4.22Å; I736-V773 HydrophobicContact CG2-CG1 4.06Å |
| 737 | N | 92.1 | Very high | 92.8 | Very high | 15 Ų | 15 | 23 Ų | 23 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.3 | -174.4 | -67.6 | -15.7 | 0 | 0 | 0 | 113.6 | F733 A735 A739 W772 K774 P775 D776 | F733-N737 WeakPolarHBondContact O-CB 3.22Å; F733-N737 PolarHBondContact O-N 2.79Å; A735-N737 PolarHBondContact O-N 3.09Å; N737-A739 VanDerWaalsContact C-N 3.31Å; N737-W772 PolarHBondContact ND2-O 3.4Å; N737-K774 VanDerWaalsContact CB-O 3.3Å; N737-K774 WeakPolarHBondContact CB-O 3.13Å; N737-K774 PolarHBondContact ND2-O 3.07Å; N737-K774 PolarHBondContact OD1-N 2.83Å; N737-K774 PolarHBondContact OD1-O 2.65Å; N737-P775 CarbonylContact O-C 3.53Å; N737-P775 VanDerWaalsContact O-CA 3.24Å; N737-P775 WeakPolarHBondContact O-CA 3.42Å; N737-D776 PolarHBondContact O-N 2.71Å |
| 738 | R | 91.3 | Very high | 92.6 | Very high | 122 Ų | 122 | 19.6 Ų | 19.6 | 46% | 0.46 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -12.9 | 171.5 | -68.9 | 176.9 | -170.2 | -173.5 | 7.2 | 113.1 | S685 S734 A735 I736 | S685-R738 WeakPolarHBondContact CB-O 3.42Å; S685-R738 PolarHBondContact OG-O 2.8Å; S734-R738 VanDerWaalsContact O-CD 3.28Å; S734-R738 WeakPolarHBondContact O-CD 3.39Å; S734-R738 VanDerWaalsContact O-CG 3.28Å; S734-R738 WeakPolarHBondContact O-CG 3.3Å; S734-R738 PolarHBondContact O-NE 2.68Å; S734-R738 VanDerWaalsContact O-NE 3.11Å; A735-R738 PolarHBondContact O-N 3.18Å; I736-R738 PolarHBondContact O-N 2.82Å |
| 739 | A | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | trans | -68.2 | 147.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F686 V689 I736 N737 V742 | F686-A739 HydrophobicContact CB-CB 3.89Å; F686-A739 CarbonylContact O-C 3.52Å; F686-A739 WeakPolarHBondContact O-CA 3.37Å; F686-A739 WeakPolarHBondContact O-CB 3.47Å; V689-A739 HydrophobicContact CB-CB 4.31Å; V689-A739 HydrophobicContact CG2-CB 3.4Å; V689-A739 VanDerWaalsContact CG2-CB 3.4Å; I736-A739 VanDerWaalsContact O-CB 3.28Å; I736-A739 WeakPolarHBondContact O-CB 3.43Å; I736-A739 PolarHBondContact O-N 3Å; I736-A739 VanDerWaalsContact O-N 3.16Å; N737-A739 VanDerWaalsContact C-N 3.31Å; A739-V742 HydrophobicContact CB-CG2 3.83Å | ||
| 740 | R | 93.7 | Very high | 91.7 | Very high | 102 Ų | 102 | 28.2 Ų | 28.2 | 39% | 0.385 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -68.1 | -40.4 | 175.3 | -59.9 | -170.8 | -171.4 | -171.1 | 0.7 | 111.9 | E581 S684 F686 G778 R779 | E581-R740 IonicContact OE2-NH1 3.35Å; E581-R740 PolarHBondContact OE2-NH1 2.9Å; S684-R740 PolarHBondContact O-NE 3.05Å; F686-R740 PolarHBondContact O-N 2.74Å; R740-G778 CarbonylContact O-C 3.6Å; R740-G778 WeakPolarHBondContact O-CA 3.28Å; R740-R779 PolarHBondContact O-N 3.32Å |
| 741 | T | 95.9 | Very high | 91.4 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.5 | 174.1 | -61.4 | 0 | 0 | 0 | 0 | 109.6 | H687 F688 V689 R779 | H687-T741 PolarHBondContact O-N 3.3Å; F688-T741 CarbonylContact C-O 3.53Å; F688-T741 WeakPolarHBondContact CA-O 3.07Å; F688-T741 HydrophobicContact CD2-CG2 3.79Å; F688-T741 HydrophobicContact CE2-CG2 3.63Å; F688-T741 HydrophobicContact CG-CG2 4.48Å; F688-T741 HydrophobicContact CZ-CG2 4.18Å; V689-T741 PolarHBondContact N-O 2.84Å; T741-R779 WeakPolarHBondContact CA-O 3.3Å; T741-R779 HydrophobicContact CG2-CG 4Å; T741-R779 PolarHBondContact OG1-NE 2.89Å |
| 742 | V | 97 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.3 | 167 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | V689 L691 I736 A739 V773 P775 R779 L780 V781 | V689-V742 HydrophobicContact CB-CG2 4.25Å; V689-V742 CarbonylContact O-C 3.6Å; V689-V742 WeakPolarHBondContact O-CA 3.31Å; L691-V742 HydrophobicContact CD1-CG1 3.72Å; L691-V742 HydrophobicContact CG-CG1 4.18Å; I736-V742 HydrophobicContact CG2-CG1 4.38Å; I736-V742 HydrophobicContact CG2-CG2 4.22Å; A739-V742 HydrophobicContact CB-CG2 3.83Å; V742-V773 HydrophobicContact CB-CG1 4.32Å; V742-V773 HydrophobicContact CG1-CG1 3.53Å; V742-P775 HydrophobicContact CB-CG 3.92Å; V742-P775 HydrophobicContact CG2-CB 4.47Å; V742-P775 HydrophobicContact CG2-CG 3.59Å; V742-R779 PolarHBondContact N-O 2.92Å; V742-L780 HydrophobicContact CB-CD1 3.94Å; V742-L780 HydrophobicContact CG1-CD1 3.89Å; V742-L780 WeakPolarHBondContact O-CA 3.46Å; V742-V781 PolarHBondContact O-N 3.24Å |
| 743 | A | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L567 F688 V689 L690 L691 V781 Y783 | L567-A743 HydrophobicContact CD1-CB 4.03Å; F688-A743 HydrophobicContact CE1-CB 3.56Å; F688-A743 HydrophobicContact CZ-CB 3.67Å; V689-A743 PolarHBondContact O-N 2.85Å; L690-A743 HydrophobicContact CD1-CB 4.04Å; L691-A743 PolarHBondContact N-O 2.84Å; A743-V781 WeakPolarHBondContact CA-O 3.23Å; A743-Y783 HydrophobicContact CB-CD2 4.02Å; A743-Y783 HydrophobicContact CB-CE2 3.76Å |
| 744 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.7 | 174.1 | -77 | 166.1 | 0 | 0 | 0 | 109.6 | L691 V693 V770 V773 L780 V781 W782 Y783 | L691-L744 HydrophobicContact CB-CD2 3.52Å; L691-L744 HydrophobicContact CB-CG 4.41Å; L691-L744 HydrophobicContact CD1-CD2 4.01Å; L691-L744 HydrophobicContact CG-CD2 4.4Å; L691-L744 WeakPolarHBondContact O-CA 3.47Å; V693-L744 HydrophobicContact CG2-CD2 3.86Å; L744-V770 HydrophobicContact CD1-CG2 3.89Å; L744-V770 HydrophobicContact CD2-CG2 3.71Å; L744-V770 HydrophobicContact CG-CG2 4.49Å; L744-V773 HydrophobicContact CD1-CB 4.46Å; L744-V773 HydrophobicContact CD1-CG1 4.4Å; L744-L780 HydrophobicContact CD1-CD1 3.76Å; L744-L780 HydrophobicContact CD1-CD2 4.49Å; L744-L780 HydrophobicContact CG-CD1 4.18Å; L744-V781 PolarHBondContact N-O 2.92Å; L744-W782 HydrophobicContact CB-CD2 4.13Å; L744-W782 HydrophobicContact CB-CE3 3.84Å; L744-W782 HydrophobicContact CB-CZ3 4.18Å; L744-W782 HydrophobicContact CD1-CD2 3.91Å; L744-W782 HydrophobicContact CD1-CE3 3.96Å; L744-W782 HydrophobicContact CD1-CH2 3.53Å; L744-W782 HydrophobicContact CD1-CZ2 3.43Å; L744-W782 VanDerWaalsContact CD1-CZ2 3.43Å; L744-W782 HydrophobicContact CD1-CZ3 3.78Å; L744-Y783 PolarHBondContact O-N 2.69Å |
| 745 | L | 94.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.5 | 179.2 | -176.2 | 59.9 | 0 | 0 | 0 | 110.8 | L563 L567 T594 L690 L691 M747 | L563-L745 HydrophobicContact CD2-CD1 4Å; L567-L745 HydrophobicContact CD2-CB 4.45Å; L567-L745 HydrophobicContact CD2-CD1 4.02Å; L567-L745 HydrophobicContact CD2-CD2 3.94Å; L567-L745 HydrophobicContact CD2-CG 4.37Å; T594-L745 HydrophobicContact CG2-CB 4.18Å; T594-L745 HydrophobicContact CG2-CD2 3.89Å; T594-L745 HydrophobicContact CG2-CG 3.82Å; L690-L745 HydrophobicContact CD1-CB 4.18Å; L691-L745 PolarHBondContact O-N 2.74Å; L745-M747 HydrophobicContact CD1-CG 3.71Å; L745-M747 HydrophobicContact CD1-SD 3.72Å; L745-M747 HydrophobicContact CD2-SD 3.95Å; L745-M747 HydrophobicContact CG-CG 4.03Å; L745-M747 HydrophobicContact CG-SD 3.95Å |
| 746 | V | 93 | Very high | 91 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 113.3 | 178.4 | -168.2 | 0 | 0 | 0 | 0 | 108.8 | V693 K751 V755 W782 Y783 I784 D785 A788 | V693-V746 HydrophobicContact CB-CG2 4.01Å; V693-V746 HydrophobicContact CG2-CG2 3.65Å; V746-K751 HydrophobicContact CG1-CB 3.76Å; V746-K751 HydrophobicContact CG1-CG 4.05Å; V746-V755 HydrophobicContact CG1-CG2 3.71Å; V746-W782 HydrophobicContact CG2-CE3 4.26Å; V746-W782 HydrophobicContact CG2-CZ3 4.3Å; V746-Y783 PolarHBondContact N-O 2.72Å; V746-I784 HydrophobicContact CB-CG1 4.3Å; V746-I784 HydrophobicContact CB-CG2 4.35Å; V746-I784 HydrophobicContact CG2-CG1 4.45Å; V746-I784 WeakPolarHBondContact O-CA 3.19Å; V746-D785 PolarHBondContact O-N 3.29Å; V746-D785 VanDerWaalsContact O-N 3.09Å; V746-A788 HydrophobicContact CG1-CB 4.09Å |
| 747 | M | 89.1 | Confident | 90.8 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 21% | 0.207 | 20% | 0.198 | C | C | . | . | trans | -133 | 145.4 | -175.8 | -63.6 | 177.8 | 73.6 | 0 | 0 | 112.2 | S560 L563 V564 L745 K751 D785 | S560-M747 VanDerWaalsContact CB-CE 3.5Å; S560-M747 WeakPolarHBondContact O-CE 3.49Å; L563-M747 HydrophobicContact CD2-CG 4.22Å; V564-M747 HydrophobicContact CG2-CE 3.65Å; V564-M747 HydrophobicContact CG2-SD 3.83Å; L745-M747 HydrophobicContact CD1-CG 3.71Å; L745-M747 HydrophobicContact CD1-SD 3.72Å; L745-M747 HydrophobicContact CD2-SD 3.95Å; L745-M747 HydrophobicContact CG-CG 4.03Å; L745-M747 HydrophobicContact CG-SD 3.95Å; M747-K751 WeakPolarHBondContact O-CG 3.39Å; M747-D785 WeakPolarHBondContact CA-OD1 3.34Å; M747-D785 WeakPolarHBondContact CA-OD2 3.3Å; M747-D785 WeakPolarHBondContact CB-OD2 3.25Å; M747-D785 HydrophobicContact CG-CB 4.48Å | ||
| 748 | G | 84.6 | Confident | 90.6 | Very high | 25 Ų | 25 | 39 Ų | 39 | 26% | 0.258 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 93.1 | 146.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G750 K751 D785 | G748-G750 PolarHBondContact O-N 2.61Å; G748-K751 WeakPolarHBondContact O-CB 3.4Å; G748-K751 PolarHBondContact O-N 2.98Å; G748-D785 VanDerWaalsContact N-CG 3.31Å; G748-D785 PolarHBondContact N-OD1 2.78Å; G748-D785 PolarHBondContact N-OD2 3.32Å |
| 749 | K | 83.4 | Confident | 90.4 | Very high | 136 Ų | 136 | 36.4 Ų | 36.4 | 59% | 0.591 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -51.6 | -35.4 | -175.6 | -179 | 163.9 | -176.4 | 126.1 | 0 | 115 | K751 H752 D787 G791 | K749-K751 PolarHBondContact O-N 3.02Å; K749-K751 VanDerWaalsContact O-N 3.07Å; K749-H752 VanDerWaalsContact O-CB 3.31Å; K749-H752 WeakPolarHBondContact O-CB 3.18Å; K749-H752 PolarHBondContact O-N 3.04Å; K749-H752 VanDerWaalsContact O-N 3.07Å; K749-D787 HydrophobicContact CB-CB 4.19Å; K749-G791 WeakPolarHBondContact CD-OXT 3.47Å; K749-G791 WeakPolarHBondContact CE-OXT 3.29Å; K749-G791 WeakPolarHBondContact CG-OXT 3.47Å; K749-G791 PolarHBondContact NZ-OXT 2.66Å |
| 750 | G | 84.1 | Confident | 89.9 | Confident | 49 Ų | 49 | 46 Ų | 46 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -62.1 | -16.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y695 G748 | Y695-G750 WeakPolarHBondContact CD1-O 3.48Å; Y695-G750 VanDerWaalsContact CE1-O 3.28Å; Y695-G750 WeakPolarHBondContact CE1-O 3.49Å; G748-G750 PolarHBondContact O-N 2.61Å |
| 751 | K | 88.2 | Confident | 89.3 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -88.4 | -6.6 | 177.8 | -60.1 | -65.9 | 179.4 | 173.3 | 0 | 113.4 | V693 Y695 V746 M747 G748 K749 E753 L754 V755 A788 | V693-K751 WeakPolarHBondContact O-CE 3.49Å; V693-K751 PolarHBondContact O-NZ 2.95Å; Y695-K751 HydrophobicContact CD1-CD 3.91Å; Y695-K751 HydrophobicContact CE1-CD 3.89Å; Y695-K751 HydrophobicContact CG-CD 4.39Å; Y695-K751 VanDerWaalsContact N-NZ 3.12Å; V746-K751 HydrophobicContact CG1-CB 3.76Å; V746-K751 HydrophobicContact CG1-CG 4.05Å; M747-K751 WeakPolarHBondContact O-CG 3.39Å; G748-K751 WeakPolarHBondContact O-CB 3.4Å; G748-K751 PolarHBondContact O-N 2.98Å; K749-K751 PolarHBondContact O-N 3.02Å; K749-K751 VanDerWaalsContact O-N 3.07Å; K751-E753 PolarHBondContact O-N 3.35Å; K751-L754 HydrophobicContact CD-CD2 4.47Å; K751-L754 WeakPolarHBondContact O-CB 3.38Å; K751-L754 PolarHBondContact O-N 3.07Å; K751-L754 VanDerWaalsContact O-N 3.16Å; K751-V755 WeakPolarHBondContact O-CG2 2.91Å; K751-V755 PolarHBondContact O-N 2.85Å; K751-A788 HydrophobicContact CB-CB 3.98Å |
| 752 | H | 89.3 | Confident | 88.4 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | -173.7 | -179.8 | 66.9 | 0 | 0 | 0 | 114.1 | K749 L754 V755 T756 A788 L790 G791 | K749-H752 VanDerWaalsContact O-CB 3.31Å; K749-H752 WeakPolarHBondContact O-CB 3.18Å; K749-H752 PolarHBondContact O-N 3.04Å; K749-H752 VanDerWaalsContact O-N 3.07Å; H752-L754 VanDerWaalsContact C-N 3.3Å; H752-L754 PolarHBondContact O-N 2.9Å; H752-V755 PolarHBondContact O-N 3.32Å; H752-T756 WeakPolarHBondContact O-CB 3.36Å; H752-T756 PolarHBondContact O-N 3.13Å; H752-T756 PolarHBondContact O-OG1 3.09Å; H752-A788 VanDerWaalsContact CA-O 3.29Å; H752-A788 WeakPolarHBondContact CA-O 3.38Å; H752-A788 PolarHBondContact ND1-O 2.94Å; H752-L790 PolarHBondContact CE1-O 3.09Å; H752-G791 VanDerWaalsContact CG-CA 3.43Å; H752-G791 WeakPolarHBondContact ND1-CA 3.41Å; H752-G791 PolarHBondContact ND1-N 2.84Å |
| 753 | E | 88.5 | Confident | 87.5 | Confident | 139 Ų | 139 | 55.6 Ų | 55.6 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 178.3 | -171.2 | 179.6 | 173.6 | 0 | 0 | 111.2 | K751 T756 Q757 | K751-E753 PolarHBondContact O-N 3.35Å; E753-T756 PolarHBondContact O-N 2.74Å; E753-Q757 VanDerWaalsContact O-CG 3.29Å; E753-Q757 WeakPolarHBondContact O-CG 3.42Å; E753-Q757 PolarHBondContact O-N 3.18Å; E753-Q757 PolarHBondContact OE1-NE2 3.47Å |
| 754 | L | 89.5 | Confident | 86.7 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 176.7 | 175.7 | 70.5 | 0 | 0 | 0 | 111.8 | V693 G694 K751 H752 T756 Q757 L758 Y768 | V693-L754 HydrophobicContact CG1-CD2 3.84Å; G694-L754 WeakPolarHBondContact O-CD2 3.4Å; K751-L754 HydrophobicContact CD-CD2 4.47Å; K751-L754 WeakPolarHBondContact O-CB 3.38Å; K751-L754 PolarHBondContact O-N 3.07Å; K751-L754 VanDerWaalsContact O-N 3.16Å; H752-L754 VanDerWaalsContact C-N 3.3Å; H752-L754 PolarHBondContact O-N 2.9Å; L754-T756 PolarHBondContact O-N 3Å; L754-Q757 PolarHBondContact O-N 2.89Å; L754-Q757 VanDerWaalsContact O-N 3.15Å; L754-L758 HydrophobicContact CD1-CD1 4.08Å; L754-L758 HydrophobicContact CD1-CG 4.03Å; L754-L758 HydrophobicContact CD2-CD1 4.34Å; L754-L758 HydrophobicContact CG-CD1 3.85Å; L754-L758 HydrophobicContact CG-CG 4.19Å; L754-L758 WeakPolarHBondContact O-CB 3.11Å; L754-L758 WeakPolarHBondContact O-CG 3.42Å; L754-L758 PolarHBondContact O-N 2.66Å; L754-Y768 HydrophobicContact CD1-CD1 4.12Å; L754-Y768 HydrophobicContact CD1-CE1 3.95Å |
| 755 | V | 90.6 | Very high | 85.7 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 177.9 | 172 | 0 | 0 | 0 | 0 | 110.3 | F550 V746 K751 H752 L758 S759 I784 A788 L789 | F550-V755 HydrophobicContact CE2-CG1 3.89Å; F550-V755 HydrophobicContact CZ-CG1 4Å; V746-V755 HydrophobicContact CG1-CG2 3.71Å; K751-V755 WeakPolarHBondContact O-CG2 2.91Å; K751-V755 PolarHBondContact O-N 2.85Å; H752-V755 PolarHBondContact O-N 3.32Å; V755-L758 CarbonylContact O-C 3.59Å; V755-L758 PolarHBondContact O-N 2.85Å; V755-S759 PolarHBondContact O-N 2.97Å; V755-I784 HydrophobicContact CG1-CD1 4.38Å; V755-I784 HydrophobicContact CG1-CG2 4.43Å; V755-I784 HydrophobicContact CG2-CG2 4.27Å; V755-A788 WeakPolarHBondContact CB-O 3.46Å; V755-A788 HydrophobicContact CG2-CB 4.26Å; V755-L789 HydrophobicContact CG1-CD1 4.17Å |
| 756 | T | 87.4 | Confident | 84.9 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.8 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | H752 E753 L754 S759 | H752-T756 WeakPolarHBondContact O-CB 3.36Å; H752-T756 PolarHBondContact O-N 3.13Å; H752-T756 PolarHBondContact O-OG1 3.09Å; E753-T756 PolarHBondContact O-N 2.74Å; L754-T756 PolarHBondContact O-N 3Å; T756-S759 PolarHBondContact O-N 3.13Å; T756-S759 PolarHBondContact O-OG 3.3Å |
| 757 | Q | 88.1 | Confident | 84.4 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 176.1 | -70.5 | 175.9 | 11.9 | 0 | 0 | 111.5 | E753 L754 S759 R760 V761 Y768 | E753-Q757 VanDerWaalsContact O-CG 3.29Å; E753-Q757 WeakPolarHBondContact O-CG 3.42Å; E753-Q757 PolarHBondContact O-N 3.18Å; E753-Q757 PolarHBondContact OE1-NE2 3.47Å; L754-Q757 PolarHBondContact O-N 2.89Å; L754-Q757 VanDerWaalsContact O-N 3.15Å; Q757-S759 PolarHBondContact O-N 2.78Å; Q757-R760 PolarHBondContact O-N 3.19Å; Q757-V761 VanDerWaalsContact O-CG2 3.25Å; Q757-V761 WeakPolarHBondContact O-CG2 3.34Å; Q757-V761 PolarHBondContact O-N 3.37Å; Q757-V761 VanDerWaalsContact O-N 3.13Å; Q757-Y768 PolarHBondContact OE1-OH 3.19Å |
| 758 | L | 88.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -22.5 | 175.2 | -71.3 | 177.3 | 0 | 0 | 0 | 112.3 | F550 R551 L754 V755 R760 Y768 V770 T771 | F550-L758 HydrophobicContact CE1-CB 4.32Å; F550-L758 HydrophobicContact CZ-CB 4.01Å; R551-L758 WeakPolarHBondContact CD-O 3.32Å; R551-L758 PolarHBondContact NH1-O 2.87Å; L754-L758 HydrophobicContact CD1-CD1 4.08Å; L754-L758 HydrophobicContact CD1-CG 4.03Å; L754-L758 HydrophobicContact CD2-CD1 4.34Å; L754-L758 HydrophobicContact CG-CD1 3.85Å; L754-L758 HydrophobicContact CG-CG 4.19Å; L754-L758 WeakPolarHBondContact O-CB 3.11Å; L754-L758 WeakPolarHBondContact O-CG 3.42Å; L754-L758 PolarHBondContact O-N 2.66Å; V755-L758 CarbonylContact O-C 3.59Å; V755-L758 PolarHBondContact O-N 2.85Å; L758-R760 VanDerWaalsContact C-N 3.31Å; L758-R760 PolarHBondContact O-N 2.79Å; L758-Y768 HydrophobicContact CD2-CD1 3.97Å; L758-Y768 HydrophobicContact CD2-CD2 4.4Å; L758-Y768 HydrophobicContact CD2-CG 3.82Å; L758-V770 HydrophobicContact CD1-CG1 3.97Å; L758-V770 HydrophobicContact CD2-CG1 3.92Å; L758-T771 HydrophobicContact CD2-CG2 3.96Å |
| 759 | S | 86.3 | Confident | 84.6 | Confident | 68 Ų | 68 | 69 Ų | 69 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.2 | -21.8 | 174.7 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | V755 T756 Q757 | V755-S759 PolarHBondContact O-N 2.97Å; T756-S759 PolarHBondContact O-N 3.13Å; T756-S759 PolarHBondContact O-OG 3.3Å; Q757-S759 PolarHBondContact O-N 2.78Å |
| 760 | R | 83.6 | Confident | 85 | Confident | 203 Ų | 203 | 62.5 Ų | 62.5 | 77% | 0.766 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -110.3 | -22.4 | -170 | -62.1 | 177.2 | -173.4 | 174.2 | 2.2 | 114.6 | Q757 L758 | Q757-R760 PolarHBondContact O-N 3.19Å; L758-R760 VanDerWaalsContact C-N 3.31Å; L758-R760 PolarHBondContact O-N 2.79Å |
| 761 | V | 80.1 | Confident | 85.3 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 135.9 | -170.7 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | R551 Q757 Y768 | R551-V761 PolarHBondContact NH1-O 3.25Å; R551-V761 PolarHBondContact NH2-O 3.22Å; R551-V761 VanDerWaalsContact NH2-O 3.13Å; Q757-V761 VanDerWaalsContact O-CG2 3.25Å; Q757-V761 WeakPolarHBondContact O-CG2 3.34Å; Q757-V761 PolarHBondContact O-N 3.37Å; Q757-V761 VanDerWaalsContact O-N 3.13Å; V761-Y768 HydrophobicContact CB-CE2 4.25Å; V761-Y768 HydrophobicContact CG1-CD2 3.99Å; V761-Y768 HydrophobicContact CG1-CE2 3.9Å; V761-Y768 HydrophobicContact CG2-CE2 4.09Å |
| 762 | K | 77.9 | Confident | 85.3 | Confident | 189 Ų | 189 | 65.3 Ų | 65.3 | 82% | 0.822 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 155.1 | 168.9 | -69.6 | -173.4 | 178.6 | -177.7 | 0 | 110.3 | N764 | K762-N764 PolarHBondContact O-N 3.1Š|
| 763 | D | 78 | Confident | 85.4 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 125.4 | -179 | -58.3 | -38.3 | 0 | 0 | 0 | 111.4 | R551 K774 | R551-D763 IonicContact CZ-OD1 3.72Å; R551-D763 IonicContact NH2-OD1 2.65Å; R551-D763 PolarHBondContact NH2-OD1 2.96Å; D763-K774 WeakPolarHBondContact OD2-CE 3.27Å; D763-K774 IonicContact OD2-NZ 2.87Å; D763-K774 PolarHBondContact OD2-NZ 3.13Å |
| 764 | N | 78.9 | Confident | 85.5 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | trans | -146.9 | 101.2 | -176.9 | -175.7 | -31.1 | 0 | 0 | 0 | 108.6 | K762 E766 K767 Y768 T771 | K762-N764 PolarHBondContact O-N 3.1Å; N764-E766 VanDerWaalsContact C-N 3.32Å; N764-E766 PolarHBondContact O-N 2.84Å; N764-E766 PolarHBondContact OD1-N 3.45Å; N764-E766 VanDerWaalsContact OD1-N 3.12Å; N764-K767 HydrophobicContact CB-CB 4.31Å; N764-K767 PolarHBondContact O-N 2.71Å; N764-K767 PolarHBondContact OD1-N 3.12Å; N764-Y768 CarbonylContact O-C 3.42Å; N764-Y768 PolarHBondContact O-N 3.37Å; N764-T771 PolarHBondContact N-OG1 2.79Å | ||
| 765 | L | 75.5 | Confident | 85.6 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -43.3 | -178.8 | -174.3 | 58.3 | 0 | 0 | 0 | 111.9 | N709 F733 K767 W772 | N709-L765 WeakPolarHBondContact OD1-CD2 3.37Å; F733-L765 HydrophobicContact CD2-CD1 4.34Å; F733-L765 HydrophobicContact CE2-CD1 3.59Å; F733-L765 HydrophobicContact CZ-CD1 4.15Å; L765-K767 VanDerWaalsContact C-N 3.26Å; L765-K767 PolarHBondContact O-N 2.94Å; L765-W772 VanDerWaalsContact CB-CD1 3.47Å; L765-W772 HydrophobicContact CB-CG 4.25Å; L765-W772 HydrophobicContact CD1-CB 3.84Å; L765-W772 HydrophobicContact CD1-CD2 4.34Å; L765-W772 HydrophobicContact CD1-CG 3.63Å; L765-W772 HydrophobicContact CG-CG 4.4Å |
| 766 | E | 78.4 | Confident | 85.3 | Confident | 143 Ų | 143 | 66.9 Ų | 66.9 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -30.5 | -173.5 | -64.2 | -173.1 | 168.2 | 0 | 0 | 111.8 | P704 G705 N764 | P704-E766 CarbonylContact C-O 3.48Å; P704-E766 VanDerWaalsContact CA-O 3.28Å; P704-E766 WeakPolarHBondContact CA-O 3.27Å; P704-E766 VanDerWaalsContact CB-O 3.27Å; P704-E766 WeakPolarHBondContact CB-O 3.22Å; G705-E766 PolarHBondContact N-O 3.36Å; N764-E766 VanDerWaalsContact C-N 3.32Å; N764-E766 PolarHBondContact O-N 2.84Å; N764-E766 PolarHBondContact OD1-N 3.45Å; N764-E766 VanDerWaalsContact OD1-N 3.12Å |
| 767 | K | 82.4 | Confident | 85.2 | Confident | 115 Ų | 115 | 73.4 Ų | 73.4 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -38.7 | -177.7 | -164.7 | 174.7 | 180 | -179 | 0 | 113.9 | N764 L765 | N764-K767 HydrophobicContact CB-CB 4.31Å; N764-K767 PolarHBondContact O-N 2.71Å; N764-K767 PolarHBondContact OD1-N 3.12Å; L765-K767 VanDerWaalsContact C-N 3.26Å; L765-K767 PolarHBondContact O-N 2.94Å |
| 768 | Y | 88.2 | Confident | 85.3 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | trans | -139.4 | 83.2 | -177.2 | -58.2 | -69.2 | 0 | 0 | 0 | 110.6 | L754 Q757 L758 V761 N764 V770 T771 | L754-Y768 HydrophobicContact CD1-CD1 4.12Å; L754-Y768 HydrophobicContact CD1-CE1 3.95Å; Q757-Y768 PolarHBondContact OE1-OH 3.19Å; L758-Y768 HydrophobicContact CD2-CD1 3.97Å; L758-Y768 HydrophobicContact CD2-CD2 4.4Å; L758-Y768 HydrophobicContact CD2-CG 3.82Å; V761-Y768 HydrophobicContact CB-CE2 4.25Å; V761-Y768 HydrophobicContact CG1-CD2 3.99Å; V761-Y768 HydrophobicContact CG1-CE2 3.9Å; V761-Y768 HydrophobicContact CG2-CE2 4.09Å; N764-Y768 CarbonylContact O-C 3.42Å; N764-Y768 PolarHBondContact O-N 3.37Å; Y768-V770 PolarHBondContact O-N 3.35Å; Y768-V770 VanDerWaalsContact O-N 3.09Å; Y768-T771 WeakPolarHBondContact O-CB 3.48Å; Y768-T771 PolarHBondContact O-N 3.41Å; Y768-T771 PolarHBondContact O-OG1 3.22Å | ||
| 769 | P | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -51.9 | -34.6 | -177.9 | -29.7 | 35 | 0 | 0 | 0 | 114.5 | G697 L702 P704 F733 T771 W772 | G697-P769 WeakPolarHBondContact O-CD 3.43Å; L702-P769 HydrophobicContact CB-CB 4.42Å; L702-P769 VanDerWaalsContact O-CB 3.25Å; L702-P769 WeakPolarHBondContact O-CB 3.46Å; L702-P769 VanDerWaalsContact O-CG 3.3Å; L702-P769 WeakPolarHBondContact O-CG 3.47Å; P704-P769 HydrophobicContact CG-CG 4.19Å; F733-P769 WeakPolarHBondContact CE1-O 3.22Å; F733-P769 HydrophobicContact CZ-CB 4.08Å; F733-P769 WeakPolarHBondContact CZ-O 3.23Å; P769-T771 PolarHBondContact O-N 3.34Å; P769-W772 PolarHBondContact O-N 2.91Å |
| 770 | V | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -54.7 | -25.7 | 176.3 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | V693 G697 T699 L744 L758 Y768 W772 V773 W782 | V693-V770 HydrophobicContact CG1-CB 4.37Å; V693-V770 HydrophobicContact CG1-CG1 4.26Å; V693-V770 HydrophobicContact CG1-CG2 4.28Å; V693-V770 HydrophobicContact CG2-CG2 3.87Å; G697-V770 WeakPolarHBondContact O-CB 3.28Å; G697-V770 WeakPolarHBondContact O-CG1 3.21Å; G697-V770 PolarHBondContact O-N 3.15Å; T699-V770 HydrophobicContact CG2-CB 4.28Å; T699-V770 HydrophobicContact CG2-CG2 4.4Å; L744-V770 HydrophobicContact CD1-CG2 3.89Å; L744-V770 HydrophobicContact CD2-CG2 3.71Å; L744-V770 HydrophobicContact CG-CG2 4.49Å; L758-V770 HydrophobicContact CD1-CG1 3.97Å; L758-V770 HydrophobicContact CD2-CG1 3.92Å; Y768-V770 PolarHBondContact O-N 3.35Å; Y768-V770 VanDerWaalsContact O-N 3.09Å; V770-W772 PolarHBondContact O-N 3.16Å; V770-V773 WeakPolarHBondContact O-CB 3.28Å; V770-V773 PolarHBondContact O-N 3.07Å; V770-W782 HydrophobicContact CG1-CH2 4.49Å; V770-W782 HydrophobicContact CG2-CH2 3.82Å; V770-W782 HydrophobicContact CG2-CZ3 4.37Å |
| 771 | T | 90.1 | Very high | 86.6 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -68.5 | -11.6 | 177.8 | 63.1 | 0 | 0 | 0 | 0 | 114 | L758 N764 Y768 P769 K774 | L758-T771 HydrophobicContact CD2-CG2 3.96Å; N764-T771 PolarHBondContact N-OG1 2.79Å; Y768-T771 WeakPolarHBondContact O-CB 3.48Å; Y768-T771 PolarHBondContact O-N 3.41Å; Y768-T771 PolarHBondContact O-OG1 3.22Å; P769-T771 PolarHBondContact O-N 3.34Å; T771-K774 WeakPolarHBondContact O-CE 3.35Å |
| 772 | W | 89.1 | Confident | 87.4 | Confident | 115 Ų | 115 | 63.3 Ų | 63.3 | 44% | 0.436 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -95.8 | 1.6 | 175.6 | -89.4 | 79.7 | 0 | 0 | 0 | 114.6 | F733 N737 L765 P769 V770 K774 | F733-W772 HydrophobicContact CD1-CB 4.12Å; F733-W772 HydrophobicContact CD2-CB 4.34Å; F733-W772 HydrophobicContact CE1-CB 3.91Å; F733-W772 HydrophobicContact CE2-CB 4.14Å; F733-W772 HydrophobicContact CG-CB 4.34Å; F733-W772 HydrophobicContact CZ-CB 3.93Å; N737-W772 PolarHBondContact ND2-O 3.4Å; L765-W772 VanDerWaalsContact CB-CD1 3.47Å; L765-W772 HydrophobicContact CB-CG 4.25Å; L765-W772 HydrophobicContact CD1-CB 3.84Å; L765-W772 HydrophobicContact CD1-CD2 4.34Å; L765-W772 HydrophobicContact CD1-CG 3.63Å; L765-W772 HydrophobicContact CG-CG 4.4Å; P769-W772 PolarHBondContact O-N 2.91Å; V770-W772 PolarHBondContact O-N 3.16Å; W772-K774 PolarHBondContact O-N 3.38Å; W772-K774 VanDerWaalsContact O-N 3.12Å |
| 773 | V | 91.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | trans | -74.6 | 99.6 | 166.9 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | L691 T699 F733 I736 V742 L744 V770 L780 | L691-V773 HydrophobicContact CD1-CG1 4.01Å; L691-V773 HydrophobicContact CD1-CG2 3.89Å; T699-V773 HydrophobicContact CG2-CG2 3.86Å; F733-V773 HydrophobicContact CD1-CG2 4.34Å; F733-V773 HydrophobicContact CE1-CG2 3.89Å; I736-V773 HydrophobicContact CG2-CG1 4.06Å; V742-V773 HydrophobicContact CB-CG1 4.32Å; V742-V773 HydrophobicContact CG1-CG1 3.53Å; L744-V773 HydrophobicContact CD1-CB 4.46Å; L744-V773 HydrophobicContact CD1-CG1 4.4Å; V770-V773 WeakPolarHBondContact O-CB 3.28Å; V770-V773 PolarHBondContact O-N 3.07Å; V773-L780 HydrophobicContact CG1-CD1 3.81Å; V773-L780 WeakPolarHBondContact O-CD2 3.41Å | ||
| 774 | K | 90.1 | Very high | 88.9 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | trans | -143 | 89 | -176.2 | -68.1 | -177.1 | 179.6 | -179.2 | 0 | 108.5 | N737 D763 T771 W772 D776 | N737-K774 VanDerWaalsContact CB-O 3.3Å; N737-K774 WeakPolarHBondContact CB-O 3.13Å; N737-K774 PolarHBondContact ND2-O 3.07Å; N737-K774 PolarHBondContact OD1-N 2.83Å; N737-K774 PolarHBondContact OD1-O 2.65Å; D763-K774 WeakPolarHBondContact OD2-CE 3.27Å; D763-K774 IonicContact OD2-NZ 2.87Å; D763-K774 PolarHBondContact OD2-NZ 3.13Å; T771-K774 WeakPolarHBondContact O-CE 3.35Å; W772-K774 PolarHBondContact O-N 3.38Å; W772-K774 VanDerWaalsContact O-N 3.12Å; K774-D776 PolarHBondContact O-N 2.6Å | ||
| 775 | P | 90.9 | Very high | 89.4 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | trans | -56.4 | 130.5 | 179.2 | -23.8 | 34.2 | 0 | 0 | 0 | 111.5 | N737 V742 L780 | N737-P775 CarbonylContact O-C 3.53Å; N737-P775 VanDerWaalsContact O-CA 3.24Å; N737-P775 WeakPolarHBondContact O-CA 3.42Å; V742-P775 HydrophobicContact CB-CG 3.92Å; V742-P775 HydrophobicContact CG2-CB 4.47Å; V742-P775 HydrophobicContact CG2-CG 3.59Å; P775-L780 HydrophobicContact CG-CB 4.18Å | ||
| 776 | D | 85.8 | Confident | 89.8 | Confident | 116 Ų | 116 | 48.2 Ų | 48.2 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -70.2 | -46.4 | -172.8 | -64.4 | -43.3 | 0 | 0 | 0 | 111.8 | N737 K774 | N737-D776 PolarHBondContact O-N 2.71Å; K774-D776 PolarHBondContact O-N 2.6Å |
| 777 | N | 85.1 | Confident | 90.2 | Very high | 172 Ų | 172 | 44.2 Ų | 44.2 | 92% | 0.92 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -124.2 | 12.5 | 179.4 | -63.2 | -53.4 | 0 | 0 | 0 | 112.3 | ||
| 778 | G | 89.3 | Confident | 90.4 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -112.9 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R740 | R740-G778 CarbonylContact O-C 3.6Å; R740-G778 WeakPolarHBondContact O-CA 3.28Å |
| 779 | R | 93.8 | Very high | 90.4 | Very high | 110 Ų | 110 | 39.9 Ų | 39.9 | 42% | 0.415 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.9 | 172.2 | 66.7 | 176.7 | 177.7 | 176.4 | 0.1 | 111.6 | R740 T741 V742 V781 | R740-R779 PolarHBondContact O-N 3.32Å; T741-R779 WeakPolarHBondContact CA-O 3.3Å; T741-R779 HydrophobicContact CG2-CG 4Å; T741-R779 PolarHBondContact OG1-NE 2.89Å; V742-R779 PolarHBondContact N-O 2.92Å; R779-V781 HydrophobicContact CG-CG2 4.37Å |
| 780 | L | 95.8 | Very high | 90.1 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.4 | 168.5 | -179.2 | 63.4 | 0 | 0 | 0 | 108.9 | A553 E554 V742 L744 V773 P775 | A553-L780 HydrophobicContact CB-CB 4.06Å; A553-L780 HydrophobicContact CB-CD2 3.93Å; A553-L780 HydrophobicContact CB-CG 4.04Å; E554-L780 PolarHBondContact N-O 3.21Å; V742-L780 HydrophobicContact CB-CD1 3.94Å; V742-L780 HydrophobicContact CG1-CD1 3.89Å; V742-L780 WeakPolarHBondContact O-CA 3.46Å; L744-L780 HydrophobicContact CD1-CD1 3.76Å; L744-L780 HydrophobicContact CD1-CD2 4.49Å; L744-L780 HydrophobicContact CG-CD1 4.18Å; V773-L780 HydrophobicContact CG1-CD1 3.81Å; V773-L780 WeakPolarHBondContact O-CD2 3.41Å; P775-L780 HydrophobicContact CG-CB 4.18Å |
| 781 | V | 96.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.9 | 177 | -170 | 0 | 0 | 0 | 0 | 109.7 | E554 V556 V742 A743 L744 R779 Y783 | E554-V781 HydrophobicContact CB-CG1 4.32Å; E554-V781 HydrophobicContact CB-CG2 4.39Å; E554-V781 WeakPolarHBondContact O-CA 3.33Å; V556-V781 HydrophobicContact CG2-CG1 4.12Å; V742-V781 PolarHBondContact O-N 3.24Å; A743-V781 WeakPolarHBondContact CA-O 3.23Å; L744-V781 PolarHBondContact N-O 2.92Å; R779-V781 HydrophobicContact CG-CG2 4.37Å; V781-Y783 HydrophobicContact CB-CD2 4.43Å; V781-Y783 HydrophobicContact CB-CE2 3.75Å; V781-Y783 HydrophobicContact CG1-CD2 4.07Å; V781-Y783 HydrophobicContact CG1-CE2 3.46Å; V781-Y783 VanDerWaalsContact CG1-CE2 3.46Å |
| 782 | W | 96.3 | Very high | 89.1 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.7 | 174.4 | -68.2 | 84 | 0 | 0 | 0 | 110.1 | F550 E554 M555 V556 V693 L744 V746 V770 I784 | F550-W782 HydrophobicContact CB-CB 4.3Å; F550-W782 HydrophobicContact CB-CG 4.17Å; F550-W782 AromaticContact CD1-CD2 3.56Å; F550-W782 HydrophobicContact CD1-CD2 3.56Å; F550-W782 AromaticContact CD1-CE2 3.74Å; F550-W782 AromaticContact CD1-CE3 3.85Å; F550-W782 HydrophobicContact CD1-CE3 3.85Å; F550-W782 AromaticContact CD1-CG 3.87Å; F550-W782 HydrophobicContact CD1-CG 3.87Å; F550-W782 HydrophobicContact CD1-CH2 4.42Å; F550-W782 HydrophobicContact CD1-CZ2 4.18Å; F550-W782 HydrophobicContact CD1-CZ3 4.27Å; F550-W782 HydrophobicContact CE1-CD2 4.13Å; F550-W782 AromaticContact CE1-CE3 3.99Å; F550-W782 HydrophobicContact CE1-CE3 3.99Å; F550-W782 HydrophobicContact CE1-CH2 4.13Å; F550-W782 HydrophobicContact CE1-CZ2 4.28Å; F550-W782 AromaticContact CE1-CZ3 3.99Å; F550-W782 HydrophobicContact CE1-CZ3 3.99Å; F550-W782 HydrophobicContact CG-CG 4.46Å; E554-W782 PolarHBondContact O-N 2.89Å; M555-W782 CarbonylContact C-O 3.55Å; M555-W782 VanDerWaalsContact CA-O 3.27Å; M555-W782 WeakPolarHBondContact CA-O 3.38Å; M555-W782 HydrophobicContact CB-CB 4.34Å; M555-W782 HydrophobicContact CG-CB 4.21Å; V556-W782 PolarHBondContact N-O 3.49Å; V693-W782 HydrophobicContact CG2-CZ3 4.42Å; L744-W782 HydrophobicContact CB-CD2 4.13Å; L744-W782 HydrophobicContact CB-CE3 3.84Å; L744-W782 HydrophobicContact CB-CZ3 4.18Å; L744-W782 HydrophobicContact CD1-CD2 3.91Å; L744-W782 HydrophobicContact CD1-CE3 3.96Å; L744-W782 HydrophobicContact CD1-CH2 3.53Å; L744-W782 HydrophobicContact CD1-CZ2 3.43Å; L744-W782 VanDerWaalsContact CD1-CZ2 3.43Å; L744-W782 HydrophobicContact CD1-CZ3 3.78Å; V746-W782 HydrophobicContact CG2-CE3 4.26Å; V746-W782 HydrophobicContact CG2-CZ3 4.3Å; V770-W782 HydrophobicContact CG1-CH2 4.49Å; V770-W782 HydrophobicContact CG2-CH2 3.82Å; V770-W782 HydrophobicContact CG2-CZ3 4.37Å; W782-I784 HydrophobicContact CB-CD1 4.17Å; W782-I784 HydrophobicContact CB-CG1 4.12Å; W782-I784 HydrophobicContact CE3-CD1 4.31Å |
| 783 | Y | 95.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 104.4 | 171.6 | -67 | -95.7 | 0 | 0 | 0 | 107.6 | V556 L563 R566 L567 D570 A743 L744 V746 V781 | V556-Y783 HydrophobicContact CB-CD1 3.86Å; V556-Y783 HydrophobicContact CB-CE1 3.99Å; V556-Y783 HydrophobicContact CG1-CD1 4.13Å; V556-Y783 HydrophobicContact CG1-CE1 4.24Å; V556-Y783 HydrophobicContact CG2-CD1 4.35Å; V556-Y783 HydrophobicContact CG2-CE1 3.99Å; V556-Y783 WeakPolarHBondContact O-CA 3.45Å; L563-Y783 HydrophobicContact CD1-CD1 3.98Å; L563-Y783 HydrophobicContact CD1-CG 4.46Å; L563-Y783 HydrophobicContact CG-CD1 4.48Å; R566-Y783 HydrophobicContact CG-CE1 4.48Å; L567-Y783 HydrophobicContact CB-CD1 3.85Å; L567-Y783 HydrophobicContact CB-CE1 3.88Å; L567-Y783 HydrophobicContact CB-CG 4.39Å; L567-Y783 HydrophobicContact CD1-CD1 4.24Å; L567-Y783 HydrophobicContact CD1-CD2 3.89Å; L567-Y783 HydrophobicContact CD1-CE1 3.99Å; L567-Y783 HydrophobicContact CD1-CE2 3.61Å; L567-Y783 HydrophobicContact CD1-CG 4.2Å; D570-Y783 WeakPolarHBondContact CB-OH 3.39Å; D570-Y783 WeakPolarHBondContact OD2-CE1 3.44Å; D570-Y783 PolarHBondContact OD2-OH 3.39Å; A743-Y783 HydrophobicContact CB-CD2 4.02Å; A743-Y783 HydrophobicContact CB-CE2 3.76Å; L744-Y783 PolarHBondContact O-N 2.69Å; V746-Y783 PolarHBondContact N-O 2.72Å; V781-Y783 HydrophobicContact CB-CD2 4.43Å; V781-Y783 HydrophobicContact CB-CE2 3.75Å; V781-Y783 HydrophobicContact CG1-CD2 4.07Å; V781-Y783 HydrophobicContact CG1-CE2 3.46Å; V781-Y783 VanDerWaalsContact CG1-CE2 3.46Å |
| 784 | I | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.4 | -174.4 | -49.3 | -178.2 | 0 | 0 | 0 | 109 | F550 M555 V556 S557 V746 V755 W782 A788 L789 | F550-I784 HydrophobicContact CB-CD1 4.43Å; F550-I784 HydrophobicContact CD1-CD1 4.02Å; F550-I784 HydrophobicContact CD2-CD1 4.06Å; F550-I784 HydrophobicContact CE1-CD1 4.25Å; F550-I784 HydrophobicContact CE2-CD1 4.3Å; F550-I784 HydrophobicContact CG-CD1 3.92Å; F550-I784 HydrophobicContact CZ-CD1 4.39Å; M555-I784 HydrophobicContact CG-CD1 4.28Å; M555-I784 HydrophobicContact CG-CG1 4.41Å; M555-I784 HydrophobicContact SD-CD1 4.07Å; V556-I784 PolarHBondContact O-N 2.93Å; S557-I784 WeakPolarHBondContact CA-O 3.31Å; S557-I784 WeakPolarHBondContact CB-O 3.34Å; S557-I784 PolarHBondContact OG-O 3.31Å; V746-I784 HydrophobicContact CB-CG1 4.3Å; V746-I784 HydrophobicContact CB-CG2 4.35Å; V746-I784 HydrophobicContact CG2-CG1 4.45Å; V746-I784 WeakPolarHBondContact O-CA 3.19Å; V755-I784 HydrophobicContact CG1-CD1 4.38Å; V755-I784 HydrophobicContact CG1-CG2 4.43Å; V755-I784 HydrophobicContact CG2-CG2 4.27Å; W782-I784 HydrophobicContact CB-CD1 4.17Å; W782-I784 HydrophobicContact CB-CG1 4.12Å; W782-I784 HydrophobicContact CE3-CD1 4.31Å; I784-A788 HydrophobicContact CG2-CB 3.8Å; I784-L789 HydrophobicContact CG2-CB 3.85Å; I784-L789 HydrophobicContact CG2-CD1 4.42Å |
| 785 | D | 89.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 161.2 | 177.5 | 72 | 0.9 | 0 | 0 | 0 | 112.1 | A558 S560 L563 V746 M747 G748 D787 A788 L789 | A558-D785 CarbonylContact O-C 3.53Å; A558-D785 VanDerWaalsContact O-CA 3.22Å; A558-D785 WeakPolarHBondContact O-CA 3.48Å; S560-D785 PolarHBondContact OG-OD2 2.96Å; L563-D785 HydrophobicContact CD2-CB 3.84Å; V746-D785 PolarHBondContact O-N 3.29Å; V746-D785 VanDerWaalsContact O-N 3.09Å; M747-D785 WeakPolarHBondContact CA-OD1 3.34Å; M747-D785 WeakPolarHBondContact CA-OD2 3.3Å; M747-D785 WeakPolarHBondContact CB-OD2 3.25Å; M747-D785 HydrophobicContact CG-CB 4.48Å; G748-D785 VanDerWaalsContact N-CG 3.31Å; G748-D785 PolarHBondContact N-OD1 2.78Å; G748-D785 PolarHBondContact N-OD2 3.32Å; D785-D787 PolarHBondContact O-N 3.36Å; D785-A788 PolarHBondContact O-N 3.26Å; D785-A788 VanDerWaalsContact O-N 3.13Å; D785-A788 WeakPolarHBondContact OD1-CB 3.01Å; D785-A788 PolarHBondContact OD1-N 2.73Å; D785-L789 WeakPolarHBondContact O-CB 3.29Å; D785-L789 PolarHBondContact O-N 3.38Å |
| 786 | Y | 84.2 | Confident | 88.8 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -33.9 | -178.8 | -70.3 | -36.9 | 0 | 0 | 0 | 113.2 | Q544 M546 S557 A558 W559 A788 L789 L790 | Q544-Y786 PolarHBondContact O-OH 3.01Å; M546-Y786 HydrophobicContact CB-CE1 4.44Å; S557-Y786 WeakPolarHBondContact OG-CD1 3.4Å; A558-Y786 VanDerWaalsContact C-CD2 3.46Å; A558-Y786 PolarHBondContact O-N 2.67Å; W559-Y786 AromaticContact CD1-CD2 3.79Å; W559-Y786 AromaticContact CD1-CE2 3.8Å; W559-Y786 AromaticContact CD2-CD2 3.64Å; W559-Y786 HydrophobicContact CD2-CD2 3.64Å; W559-Y786 HydrophobicContact CD2-CE2 4.41Å; W559-Y786 AromaticContact CE2-CD2 3.61Å; W559-Y786 HydrophobicContact CE3-CD2 4.2Å; W559-Y786 AromaticContact CG-CD2 3.77Å; W559-Y786 HydrophobicContact CG-CD2 3.77Å; W559-Y786 HydrophobicContact CG-CE2 4.2Å; W559-Y786 HydrophobicContact CZ2-CD2 4.15Å; W559-Y786 AromaticContact NE1-CD2 3.69Å; W559-Y786 AromaticContact NE1-CE2 3.78Å; Y786-A788 VanDerWaalsContact C-N 3.34Å; Y786-A788 PolarHBondContact O-N 3.33Å; Y786-L789 PolarHBondContact O-N 3.13Å; Y786-L790 HydrophobicContact CD1-CD1 4.03Å; Y786-L790 HydrophobicContact CG-CD1 4.36Å; Y786-L790 WeakPolarHBondContact O-CA 3.4Å; Y786-L790 WeakPolarHBondContact O-CB 3.42Å; Y786-L790 PolarHBondContact O-N 3.27Å |
| 787 | D | 85.6 | Confident | 89 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 32% | 0.316 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.6 | -72.5 | -17.9 | 0 | 0 | 0 | 111.8 | K749 D785 G791 | K749-D787 HydrophobicContact CB-CB 4.19Å; D785-D787 PolarHBondContact O-N 3.36Å; D787-G791 WeakPolarHBondContact O-CA 3.25Å; D787-G791 PolarHBondContact O-N 3.04Å |
| 788 | A | 87.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76 | -33.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V746 K751 H752 V755 I784 D785 Y786 | V746-A788 HydrophobicContact CG1-CB 4.09Å; K751-A788 HydrophobicContact CB-CB 3.98Å; H752-A788 VanDerWaalsContact CA-O 3.29Å; H752-A788 WeakPolarHBondContact CA-O 3.38Å; H752-A788 PolarHBondContact ND1-O 2.94Å; V755-A788 WeakPolarHBondContact CB-O 3.46Å; V755-A788 HydrophobicContact CG2-CB 4.26Å; I784-A788 HydrophobicContact CG2-CB 3.8Å; D785-A788 PolarHBondContact O-N 3.26Å; D785-A788 VanDerWaalsContact O-N 3.13Å; D785-A788 WeakPolarHBondContact OD1-CB 3.01Å; D785-A788 PolarHBondContact OD1-N 2.73Å; Y786-A788 VanDerWaalsContact C-N 3.34Å; Y786-A788 PolarHBondContact O-N 3.33Å |
| 789 | L | 87.3 | Confident | 89.3 | Confident | 35 Ų | 35 | 33.9 Ų | 33.9 | 18% | 0.183 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -81.5 | -43.6 | -176.9 | -172.5 | 62.9 | 0 | 0 | 0 | 113 | M555 S557 V755 I784 D785 Y786 | M555-L789 HydrophobicContact CE-CD2 3.94Å; M555-L789 HydrophobicContact SD-CD1 4.17Å; M555-L789 HydrophobicContact SD-CD2 4.2Å; S557-L789 VanDerWaalsContact OG-CD2 3.3Å; S557-L789 WeakPolarHBondContact OG-CD2 3.34Å; V755-L789 HydrophobicContact CG1-CD1 4.17Å; I784-L789 HydrophobicContact CG2-CB 3.85Å; I784-L789 HydrophobicContact CG2-CD1 4.42Å; D785-L789 WeakPolarHBondContact O-CB 3.29Å; D785-L789 PolarHBondContact O-N 3.38Å; Y786-L789 PolarHBondContact O-N 3.13Å |
| 790 | L | 83.3 | Confident | 88.9 | Confident | 122 Ų | 122 | 27.6 Ų | 27.6 | 64% | 0.639 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -107.2 | -26.5 | -169 | -56.8 | 177.6 | 0 | 0 | 0 | 113.7 | H752 Y786 | H752-L790 PolarHBondContact CE1-O 3.09Å; Y786-L790 HydrophobicContact CD1-CD1 4.03Å; Y786-L790 HydrophobicContact CG-CD1 4.36Å; Y786-L790 WeakPolarHBondContact O-CA 3.4Å; Y786-L790 WeakPolarHBondContact O-CB 3.42Å; Y786-L790 PolarHBondContact O-N 3.27Å |
| 791 | G | 72.6 | Confident | 88.2 | Confident | 45 Ų | 45 | 27.8 Ų | 27.8 | 46% | 0.464 | 16% | 0.162 | S | C | . | . | trans | 98.5 | 0 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K749 H752 D787 | K749-G791 WeakPolarHBondContact CD-OXT 3.47Å; K749-G791 WeakPolarHBondContact CE-OXT 3.29Å; K749-G791 WeakPolarHBondContact CG-OXT 3.47Å; K749-G791 PolarHBondContact NZ-OXT 2.66Å; H752-G791 VanDerWaalsContact CG-CA 3.43Å; H752-G791 WeakPolarHBondContact ND1-CA 3.41Å; H752-G791 PolarHBondContact ND1-N 2.84Å; D787-G791 WeakPolarHBondContact O-CA 3.25Å; D787-G791 PolarHBondContact O-N 3.04Å |
Retrieved 791 of 791 residues in 906.6 ms
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