| 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 | 41.1 | Very low | 74 | Confident | 232 Ų | 232 | 88.6 Ų | 88.6 | 100% | 1.143 | 49% | 0.488 | S | S | * | . | 0 | 105 | 0 | -165 | -178.3 | -81.5 | 0 | 0 | 106.2 | T3 | M1-T3 PolarHBondContact O-N 3.39Š| |||
| 2 | I | 47.5 | Very low | 75.5 | Confident | 141 Ų | 141 | 87.1 Ų | 87.1 | 72% | 0.723 | 48% | 0.483 | S | S | * | . | trans | -78.1 | 104.4 | 179.8 | -58.5 | 175.7 | 0 | 0 | 0 | 106.2 | H4 | I2-H4 PolarHBondContact O-N 3.41Å; I2-H4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | T | 50.1 | Low | 76.7 | Confident | 109 Ų | 109 | 83.6 Ų | 83.6 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | trans | -71.5 | 97.7 | 166.7 | 48.6 | 0 | 0 | 0 | 0 | 107 | M1 T5 | M1-T3 PolarHBondContact O-N 3.39Å; T3-T5 PolarHBondContact O-N 2.94Å | ||
| 4 | H | 61.7 | Low | 77.6 | Confident | 166 Ų | 166 | 77.9 Ų | 77.9 | 77% | 0.769 | 43% | 0.434 | S | S | * | . | trans | -69.2 | 84.2 | 165 | -75.8 | -59.4 | 0 | 0 | 0 | 107.7 | I2 | I2-H4 PolarHBondContact O-N 3.41Å; I2-H4 VanDerWaalsContact O-N 3.11Å | ||
| 5 | T | 75.4 | Confident | 78.1 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 67% | 0.669 | 43% | 0.427 | S | S | * | . | trans | -72.8 | 129.6 | 172.4 | 50.9 | 0 | 0 | 0 | 0 | 108.1 | T3 | T3-T5 PolarHBondContact O-N 2.94Š| ||
| 6 | C | 83.4 | Confident | 78.1 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | trans | -53.8 | 124 | 175.2 | 180 | 0 | 0 | 0 | 0 | 110 | C8 F38 C43 | C6-C8 VanDerWaalsContact C-N 3.26Å; C6-C8 PolarHBondContact O-N 3.3Å; C6-F38 HydrophobicContact CB-CE2 4.06Å; C6-F38 HydrophobicContact CB-CZ 3.84Å; C6-C43 WeakPolarHBondContact CA-SG 3.47Å; C6-C43 HydrophobicContact CB-CB 3.64Å; C6-C43 WeakPolarHBondContact CB-SG 3.28Å; C6-C43 WeakPolarHBondContact SG-CA 3.26Å; C6-C43 WeakPolarHBondContact SG-CB 3.37Å; C6-C43 CovalentContact SG-SG 2.04Å; C6-C43 PolarHBondContact SG-SG 2.97Å | ||
| 7 | P | 89.1 | Confident | 78.2 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 42% | 0.422 | 47% | 0.468 | S | S | . | . | trans | -80.7 | -8.6 | -173.4 | 34.4 | -37.8 | 0 | 0 | 0 | 112.7 | L110 L113 | P7-L110 HydrophobicContact CG-CD2 3.63Å; P7-L113 HydrophobicContact CB-CD2 3.99Å; P7-L113 HydrophobicContact CG-CD2 3.98Å | ||
| 8 | C | 90.9 | Very high | 78.3 | Confident | 5 Ų | 5 | 79.4 Ų | 79.4 | 3% | 0.034 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -72.3 | 139 | 179.3 | -78.1 | 0 | 0 | 0 | 0 | 112.9 | C6 C108 L113 R114 F115 | C6-C8 VanDerWaalsContact C-N 3.26Å; C6-C8 PolarHBondContact O-N 3.3Å; C8-C108 HydrophobicContact CB-CB 3.7Å; C8-C108 WeakPolarHBondContact CB-SG 3.41Å; C8-C108 WeakPolarHBondContact SG-CA 3.41Å; C8-C108 WeakPolarHBondContact SG-CB 3.26Å; C8-C108 CovalentContact SG-SG 2Å; C8-C108 PolarHBondContact SG-SG 2.84Å; C8-L113 WeakPolarHBondContact CA-O 3.47Å; C8-R114 VanDerWaalsContact SG-C 3.58Å; C8-R114 PolarHBondContact SG-N 2.94Å; C8-R114 PolarHBondContact SG-O 3.46Å; C8-F115 HydrophobicContact CB-CD2 4.15Å; C8-F115 HydrophobicContact CB-CE1 4.15Å; C8-F115 HydrophobicContact CB-CE2 3.63Å; C8-F115 HydrophobicContact CB-CZ 3.62Å |
| 9 | T | 91.2 | Very high | 78.5 | Confident | 66 Ų | 66 | 77.6 Ų | 77.6 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 128.9 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | L113 F115 | T9-L113 PolarHBondContact N-O 2.76Å; T9-F115 WeakPolarHBondContact O-CD2 3.3Å; T9-F115 VanDerWaalsContact O-CE2 3.24Å; T9-F115 WeakPolarHBondContact O-CE2 3.46Å |
| 10 | P | 91.2 | Very high | 78.7 | Confident | 62 Ų | 62 | 78.5 Ų | 78.5 | 40% | 0.403 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 142.1 | 178.2 | -26.6 | 34.9 | 0 | 0 | 0 | 113.4 | F38 | P10-F38 HydrophobicContact CB-CB 4.26Å; P10-F38 HydrophobicContact CB-CD1 4.48Å; P10-F38 HydrophobicContact CB-CG 4.3Å; P10-F38 HydrophobicContact CG-CB 4.44Å; P10-F38 HydrophobicContact CG-CD1 3.77Å; P10-F38 HydrophobicContact CG-CE1 4.05Å; P10-F38 HydrophobicContact CG-CG 4.03Å |
| 11 | I | 92.4 | Very high | 78.8 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.015 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 136.3 | 176 | -57.9 | 177.9 | 0 | 0 | 0 | 109.9 | P36 T45 L106 F115 V127 F130 | I11-P36 HydrophobicContact CB-CB 4.11Å; I11-P36 HydrophobicContact CB-CG 4.05Å; I11-P36 HydrophobicContact CG2-CB 4.42Å; I11-P36 HydrophobicContact CG2-CG 3.82Å; I11-T45 HydrophobicContact CD1-CG2 3.37Å; I11-T45 HydrophobicContact CG1-CG2 3.99Å; I11-L106 HydrophobicContact CD1-CD1 3.58Å; I11-F115 HydrophobicContact CD1-CB 3.82Å; I11-F115 HydrophobicContact CD1-CD2 4.2Å; I11-F115 HydrophobicContact CD1-CG 4.21Å; I11-F115 HydrophobicContact CG1-CB 4.2Å; I11-F115 HydrophobicContact CG1-CD2 3.74Å; I11-F115 HydrophobicContact CG1-CG 4.26Å; I11-V127 HydrophobicContact CD1-CB 3.9Å; I11-V127 HydrophobicContact CD1-CG1 3.69Å; I11-V127 HydrophobicContact CG1-CB 4.39Å; I11-V127 HydrophobicContact CG1-CG1 4.16Å; I11-V127 HydrophobicContact CG2-CG1 3.95Å; I11-F130 HydrophobicContact CG2-CB 3.9Å |
| 12 | T | 92.6 | Very high | 80 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 43% | 0.429 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 175.7 | 175.8 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | V128 S129 F130 | T12-V128 PolarHBondContact N-O 3.48Å; T12-V128 PolarHBondContact OG1-O 2.95Å; T12-S129 CarbonylContact O-C 3.52Å; T12-S129 WeakPolarHBondContact O-CA 3.47Å; T12-S129 PolarHBondContact OG1-OG 3.28Å; T12-F130 PolarHBondContact O-N 3.24Å |
| 13 | V | 91 | Very high | 80.8 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 26% | 0.255 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 142.6 | 176.6 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | T15 T35 F130 | V13-T15 HydrophobicContact CG2-CG2 4.23Å; V13-T35 HydrophobicContact CG1-CG2 4.26Å; V13-F130 WeakPolarHBondContact CA-O 3.12Å |
| 14 | I | 88.3 | Confident | 81.2 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | trans | -76.8 | 129.6 | 164 | -53 | 169.7 | 0 | 0 | 0 | 107.5 | N19 P30 I75 F130 A131 | I14-N19 HydrophobicContact CG2-CB 3.86Å; I14-P30 HydrophobicContact CG2-CB 4.41Å; I14-I75 HydrophobicContact CD1-CD1 4.24Å; I14-I75 HydrophobicContact CD1-CG1 3.92Å; I14-I75 HydrophobicContact CG1-CD1 4.03Å; I14-I75 HydrophobicContact CG1-CG1 4.19Å; I14-F130 PolarHBondContact N-O 3.44Å; I14-A131 HydrophobicContact CB-CB 3.71Å; I14-A131 HydrophobicContact CD1-CB 4.29Å; I14-A131 HydrophobicContact CG1-CB 4.29Å | ||
| 15 | T | 85.3 | Confident | 81.3 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | trans | -109.7 | 172.2 | 177.9 | 66.5 | 0 | 0 | 0 | 0 | 109.7 | V13 T17 S18 N19 | V13-T15 HydrophobicContact CG2-CG2 4.23Å; T15-T17 PolarHBondContact O-N 2.5Å; T15-T17 VanDerWaalsContact O-N 3.13Å; T15-T17 PolarHBondContact OG1-N 2.96Å; T15-T17 PolarHBondContact OG1-OG1 3.15Å; T15-S18 PolarHBondContact N-OG 2.93Å; T15-S18 PolarHBondContact O-N 2.89Å; T15-S18 PolarHBondContact OG1-N 2.72Å; T15-S18 PolarHBondContact OG1-OG 3.3Å; T15-S18 VanDerWaalsContact OG1-OG 3.13Å; T15-N19 VanDerWaalsContact O-CB 3.31Å; T15-N19 WeakPolarHBondContact O-CB 3.37Å; T15-N19 PolarHBondContact O-N 2.75Å | ||
| 16 | S | 78.3 | Confident | 80.7 | Confident | 106 Ų | 106 | 56.5 Ų | 56.5 | 74% | 0.741 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.3 | 172.9 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 17 | T | 79.6 | Confident | 80.1 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -26.4 | 179.1 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | T15 | T15-T17 PolarHBondContact O-N 2.5Å; T15-T17 VanDerWaalsContact O-N 3.13Å; T15-T17 PolarHBondContact OG1-N 2.96Å; T15-T17 PolarHBondContact OG1-OG1 3.15Å |
| 18 | S | 81 | Confident | 79.2 | Confident | 46 Ų | 46 | 58 Ų | 58 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.1 | 177.2 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | T15 T20 | T15-S18 PolarHBondContact N-OG 2.93Å; T15-S18 PolarHBondContact O-N 2.89Å; T15-S18 PolarHBondContact OG1-N 2.72Å; T15-S18 PolarHBondContact OG1-OG 3.3Å; T15-S18 VanDerWaalsContact OG1-OG 3.13Å; S18-T20 PolarHBondContact O-N 3.29Å; S18-T20 VanDerWaalsContact O-N 3.15Å |
| 19 | N | 81.3 | Confident | 78.6 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | trans | -70.9 | 108 | 178.7 | -174.7 | 18.3 | 0 | 0 | 0 | 111.4 | I14 T15 C21 P30 Y133 | I14-N19 HydrophobicContact CG2-CB 3.86Å; T15-N19 VanDerWaalsContact O-CB 3.31Å; T15-N19 WeakPolarHBondContact O-CB 3.37Å; T15-N19 PolarHBondContact O-N 2.75Å; N19-C21 VanDerWaalsContact OD1-CB 3.32Å; N19-C21 WeakPolarHBondContact OD1-CB 3.25Å; N19-C21 PolarHBondContact OD1-N 2.82Å; N19-P30 HydrophobicContact CB-CG 4.03Å; N19-Y133 PolarHBondContact OD1-OH 2.78Å; N19-Y133 VanDerWaalsContact OD1-OH 3.1Å | ||
| 20 | T | 83.7 | Confident | 78.1 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | trans | -109.9 | 8.8 | 172.4 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | S18 A22 C81 | S18-T20 PolarHBondContact O-N 3.29Å; S18-T20 VanDerWaalsContact O-N 3.15Å; T20-A22 PolarHBondContact O-N 3.47Å; T20-C81 VanDerWaalsContact OG1-CB 3.26Å; T20-C81 WeakPolarHBondContact OG1-CB 3.45Å | ||
| 21 | C | 79.3 | Confident | 77.6 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 10% | 0.101 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 130.4 | 178.9 | -82.1 | 0 | 0 | 0 | 0 | 109.7 | N19 G23 C81 Q83 Y133 | N19-C21 VanDerWaalsContact OD1-CB 3.32Å; N19-C21 WeakPolarHBondContact OD1-CB 3.25Å; N19-C21 PolarHBondContact OD1-N 2.82Å; C21-G23 PolarHBondContact O-N 3.31Å; C21-C81 WeakPolarHBondContact CA-SG 3.43Å; C21-C81 HydrophobicContact CB-CB 3.89Å; C21-C81 WeakPolarHBondContact CB-SG 3.03Å; C21-C81 PolarHBondContact N-SG 3.28Å; C21-C81 VanDerWaalsContact SG-C 3.51Å; C21-C81 WeakPolarHBondContact SG-CB 3.47Å; C21-C81 CovalentContact SG-SG 2.02Å; C21-C81 PolarHBondContact SG-SG 3.36Å; C21-Q83 HydrophobicContact CB-CB 4.04Å; C21-Y133 PolarHBondContact SG-OH 3.43Å; C21-Y133 VanDerWaalsContact SG-OH 3.41Å |
| 22 | A | 66.8 | Low | 76.8 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 73% | 0.727 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 119.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | T20 | T20-A22 PolarHBondContact O-N 3.47Š|
| 23 | G | 63.3 | Low | 75.7 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 54% | 0.536 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -47.7 | 137.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C21 D28 | C21-G23 PolarHBondContact O-N 3.31Å; G23-D28 WeakPolarHBondContact CA-OD1 3.33Å |
| 24 | G | 60.1 | Low | 75.2 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 163.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L26 Q83 | G24-L26 VanDerWaalsContact C-N 3.26Å; G24-L26 PolarHBondContact O-N 2.96Å; G24-Q83 VanDerWaalsContact N-NE2 3.14Å; G24-Q83 VanDerWaalsContact N-OE1 3.14Å |
| 25 | T | 63.4 | Low | 75.1 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 82% | 0.816 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -72.8 | -16.8 | -175.6 | 24.9 | 0 | 0 | 0 | 0 | 114.6 | D85 | T25-D85 PolarHBondContact OG1-OD2 2.84Š|
| 26 | L | 63.3 | Low | 75.3 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -105.1 | -38 | -174.3 | -64.3 | 173.4 | 0 | 0 | 0 | 114.4 | G24 Q69 D85 | G24-L26 VanDerWaalsContact C-N 3.26Å; G24-L26 PolarHBondContact O-N 2.96Å; L26-Q69 HydrophobicContact CD1-CB 3.91Å; L26-D85 HydrophobicContact CD1-CB 3.87Å |
| 27 | H | 69.6 | Low | 75.9 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 9% | 0.093 | 39% | 0.393 | C | S | . | . | trans | -150.9 | 132.5 | -173.3 | -64 | -73.5 | 0 | 0 | 0 | 111.3 | Q83 Y134 | H27-Q83 PolarHBondContact O-NE2 3.03Å; H27-Y134 WeakPolarHBondContact ND1-CA 3.43Å; H27-Y134 PolarHBondContact ND1-OXT 3.44Å | ||
| 28 | D | 70.3 | Confident | 76.4 | Confident | 93 Ų | 93 | 63 Ų | 63 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | trans | -113.2 | -17.9 | -173 | -71.9 | -39.2 | 0 | 0 | 0 | 114.4 | G23 | G23-D28 WeakPolarHBondContact CA-OD1 3.33Š| ||
| 29 | N | 78.6 | Confident | 76.8 | Confident | 93 Ų | 93 | 63 Ų | 63 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -92.7 | 121.6 | -176.3 | -66.1 | -60.9 | 0 | 0 | 0 | 110.9 | F31 Y133 Y134 | N29-F31 PolarHBondContact O-N 3.19Å; N29-Y133 CarbonylContact O-C 3.29Å; N29-Y133 VanDerWaalsContact O-CA 3.25Å; N29-Y133 WeakPolarHBondContact O-CA 3.27Å; N29-Y134 HydrophobicContact CB-CD1 3.95Å; N29-Y134 HydrophobicContact CB-CE1 3.68Å; N29-Y134 WeakPolarHBondContact CB-O 3.31Å; N29-Y134 PolarHBondContact N-O 3.33Å; N29-Y134 PolarHBondContact O-N 3.03Å |
| 30 | P | 81.1 | Confident | 76.9 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.3 | 177.8 | 29 | -35.8 | 0 | 0 | 0 | 109.9 | I14 N19 A131 Y133 | I14-P30 HydrophobicContact CG2-CB 4.41Å; N19-P30 HydrophobicContact CB-CG 4.03Å; P30-A131 HydrophobicContact CB-CB 4.14Å; P30-Y133 HydrophobicContact CB-CD1 4.27Å; P30-Y133 HydrophobicContact CB-CE1 3.85Å; P30-Y133 HydrophobicContact CG-CE1 4.5Å |
| 31 | F | 81.5 | Confident | 76.9 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 23% | 0.232 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 108.1 | 175.6 | 171.5 | -99.7 | 0 | 0 | 0 | 109.8 | N29 V33 K50 F58 Q132 Y134 | N29-F31 PolarHBondContact O-N 3.19Å; F31-V33 HydrophobicContact CE1-CG2 3.98Å; F31-K50 HydrophobicContact CE1-CB 4.46Å; F31-K50 HydrophobicContact CE1-CD 4.24Å; F31-K50 HydrophobicContact CZ-CD 4.28Å; F31-F58 AromaticContact CD1-CD1 3.68Å; F31-F58 HydrophobicContact CD1-CD1 3.68Å; F31-F58 AromaticContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CG 4.44Å; F31-F58 HydrophobicContact CD1-CZ 4.26Å; F31-F58 HydrophobicContact CD2-CE1 4.18Å; F31-F58 AromaticContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD2 4.39Å; F31-F58 AromaticContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE2 4.06Å; F31-F58 HydrophobicContact CE1-CG 4.22Å; F31-F58 AromaticContact CE1-CZ 3.5Å; F31-F58 HydrophobicContact CE1-CZ 3.5Å; F31-F58 AromaticContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CZ 4.14Å; F31-F58 HydrophobicContact CG-CD1 4.34Å; F31-F58 HydrophobicContact CG-CE1 4.02Å; F31-F58 HydrophobicContact CZ-CD1 4.35Å; F31-F58 AromaticContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE1 3.5Å; F31-F58 VanDerWaalsContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE2 4.25Å; F31-F58 AromaticContact CZ-CZ 3.43Å; F31-F58 HydrophobicContact CZ-CZ 3.43Å; F31-F58 VanDerWaalsContact CZ-CZ 3.43Å; F31-Q132 CarbonylContact C-O 3.52Å; F31-Q132 VanDerWaalsContact C-O 3.28Å; F31-Q132 WeakPolarHBondContact CA-O 3.43Å; F31-Q132 PolarHBondContact N-O 3.34Å; F31-Q132 CarbonylContact O-C 3.55Å; F31-Q132 VanDerWaalsContact O-C 3.29Å; F31-Q132 WeakPolarHBondContact O-CA 3.27Å; F31-Q132 WeakPolarHBondContact O-CB 3.34Å; F31-Q132 PolarHBondContact O-N 2.69Å; F31-Y134 HydrophobicContact CB-CD1 3.48Å; F31-Y134 VanDerWaalsContact CB-CD1 3.48Å; F31-Y134 HydrophobicContact CB-CE1 4.16Å; F31-Y134 HydrophobicContact CB-CG 4.34Å; F31-Y134 HydrophobicContact CG-CD1 4.19Å |
| 32 | S | 74.8 | Confident | 77.3 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | trans | -99.1 | 122.2 | 170.6 | -72 | 0 | 0 | 0 | 0 | 109.9 | R34 F130 A131 | S32-R34 PolarHBondContact O-N 2.81Å; S32-F130 PolarHBondContact OG-O 2.78Å; S32-A131 VanDerWaalsContact OG-CA 3.28Å; S32-A131 WeakPolarHBondContact OG-CA 3.39Å; S32-A131 WeakPolarHBondContact OG-CB 3.05Å | ||
| 33 | V | 69.8 | Low | 78.3 | Confident | 32 Ų | 32 | 67 Ų | 67 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -56.7 | -45.2 | 175 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | F31 V48 K50 F101 | F31-V33 HydrophobicContact CE1-CG2 3.98Å; V33-V48 WeakPolarHBondContact CG2-O 3.5Å; V33-K50 HydrophobicContact CB-CB 4.28Å; V33-K50 HydrophobicContact CG1-CB 4.05Å; V33-K50 HydrophobicContact CG1-CD 4.1Å; V33-K50 HydrophobicContact CG2-CB 3.23Å; V33-K50 HydrophobicContact CG2-CD 4.35Å; V33-K50 HydrophobicContact CG2-CG 4.43Å; V33-F101 HydrophobicContact CG1-CD1 4.01Å; V33-F101 HydrophobicContact CG1-CE1 3.59Å |
| 34 | R | 79.2 | Confident | 79.8 | Confident | 175 Ų | 175 | 66.7 Ų | 66.7 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -156 | 157 | -179.6 | -60.8 | -175.9 | -176.9 | -141.2 | -2.6 | 108.6 | S32 | S32-R34 PolarHBondContact O-N 2.81Š|
| 35 | T | 86.6 | Confident | 81.3 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | trans | -58.4 | 135.9 | 161.8 | -49.6 | 0 | 0 | 0 | 0 | 109.5 | V13 V37 | V13-T35 HydrophobicContact CG1-CG2 4.26Å; T35-V37 PolarHBondContact O-N 3.08Å | ||
| 36 | P | 90.4 | Very high | 82.8 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.071 | 33% | 0.329 | C | S | . | . | trans | -50.7 | 131.8 | 175.4 | -30 | 37.7 | 0 | 0 | 0 | 111.7 | I11 F38 T45 L46 V47 F130 | I11-P36 HydrophobicContact CB-CB 4.11Å; I11-P36 HydrophobicContact CB-CG 4.05Å; I11-P36 HydrophobicContact CG2-CB 4.42Å; I11-P36 HydrophobicContact CG2-CG 3.82Å; P36-F38 PolarHBondContact O-N 3.4Å; P36-T45 WeakPolarHBondContact CB-OG1 3.4Å; P36-L46 CarbonylContact C-O 3.28Å; P36-L46 VanDerWaalsContact CA-O 3.26Å; P36-L46 WeakPolarHBondContact CA-O 3.37Å; P36-V47 HydrophobicContact CB-CG2 4.35Å; P36-V47 HydrophobicContact CG-CG2 4.34Å; P36-F130 HydrophobicContact CG-CB 4.25Å | ||
| 37 | V | 91.1 | Very high | 84.1 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 111.7 | -172.9 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | T35 M39 T45 L46 | T35-V37 PolarHBondContact O-N 3.08Å; V37-M39 PolarHBondContact O-N 3.42Å; V37-T45 CarbonylContact O-C 3.57Å; V37-T45 VanDerWaalsContact O-CA 3.28Å; V37-T45 WeakPolarHBondContact O-CA 3.47Å; V37-T45 PolarHBondContact O-OG1 3.41Å; V37-L46 HydrophobicContact CB-CB 4.19Å; V37-L46 PolarHBondContact N-O 2.99Å; V37-L46 PolarHBondContact O-N 2.86Å |
| 38 | F | 89.6 | Confident | 85.1 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 31% | 0.311 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 115.7 | 177.6 | 176.7 | -128.6 | 0 | 0 | 0 | 111.2 | C6 P10 P36 F115 | C6-F38 HydrophobicContact CB-CE2 4.06Å; C6-F38 HydrophobicContact CB-CZ 3.84Å; P10-F38 HydrophobicContact CB-CB 4.26Å; P10-F38 HydrophobicContact CB-CD1 4.48Å; P10-F38 HydrophobicContact CB-CG 4.3Å; P10-F38 HydrophobicContact CG-CB 4.44Å; P10-F38 HydrophobicContact CG-CD1 3.77Å; P10-F38 HydrophobicContact CG-CE1 4.05Å; P10-F38 HydrophobicContact CG-CG 4.03Å; P36-F38 PolarHBondContact O-N 3.4Å; F38-F115 HydrophobicContact CD2-CE2 4.29Å; F38-F115 AromaticContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CE2-CE2 4.38Å; F38-F115 AromaticContact CE2-CZ 3.62Å; F38-F115 HydrophobicContact CE2-CZ 3.62Å |
| 39 | M | 88.4 | Confident | 85.9 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 23% | 0.232 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 85.3 | 178.4 | -62.7 | -175 | -64 | 0 | 0 | 109.1 | V37 S41 Q42 C43 E44 L46 | V37-M39 PolarHBondContact O-N 3.42Å; M39-S41 PolarHBondContact O-N 3.09Å; M39-S41 VanDerWaalsContact O-N 3.17Å; M39-Q42 HydrophobicContact CB-CB 4.47Å; M39-Q42 PolarHBondContact O-N 2.83Å; M39-Q42 VanDerWaalsContact O-N 3.13Å; M39-C43 PolarHBondContact O-N 2.97Å; M39-E44 HydrophobicContact CE-CB 3.73Å; M39-E44 PolarHBondContact N-O 2Å; M39-E44 PolarHBondContact O-N 2.96Å; M39-L46 HydrophobicContact CE-CB 4.34Å |
| 40 | S | 83.9 | Confident | 86.3 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.7 | -173.4 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 41 | S | 84.3 | Confident | 86.3 | Confident | 108 Ų | 108 | 50 Ų | 50 | 76% | 0.755 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -29.2 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 114 | M39 | M39-S41 PolarHBondContact O-N 3.09Å; M39-S41 VanDerWaalsContact O-N 3.17Å |
| 42 | Q | 86.6 | Confident | 86.2 | Confident | 121 Ų | 121 | 47.5 Ų | 47.5 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -8.7 | -179.8 | -68.1 | 176.5 | 79 | 0 | 0 | 111.8 | M39 E44 | M39-Q42 HydrophobicContact CB-CB 4.47Å; M39-Q42 PolarHBondContact O-N 2.83Å; M39-Q42 VanDerWaalsContact O-N 3.13Å; Q42-E44 HydrophobicContact CB-CB 4.34Å; Q42-E44 HydrophobicContact CB-CG 4.22Å; Q42-E44 PolarHBondContact O-N 3.3Å |
| 43 | C | 89.3 | Confident | 86.3 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 41.1 | -174.4 | -150.7 | 0 | 0 | 0 | 0 | 112.3 | C6 M39 C108 | C6-C43 WeakPolarHBondContact CA-SG 3.47Å; C6-C43 HydrophobicContact CB-CB 3.64Å; C6-C43 WeakPolarHBondContact CB-SG 3.28Å; C6-C43 WeakPolarHBondContact SG-CA 3.26Å; C6-C43 WeakPolarHBondContact SG-CB 3.37Å; C6-C43 CovalentContact SG-SG 2.04Å; C6-C43 PolarHBondContact SG-SG 2.97Å; M39-C43 PolarHBondContact O-N 2.97Å; C43-C108 HydrophobicContact CB-CB 4.14Å; C43-C108 VanDerWaalsContact O-CB 3.23Å; C43-C108 WeakPolarHBondContact O-CB 3.47Å; C43-C108 PolarHBondContact O-N 2.71Å; C43-C108 WeakPolarHBondContact SG-CB 3.37Å; C43-C108 PolarHBondContact SG-SG 2.81Å |
| 44 | E | 93.2 | Very high | 86.6 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.5 | -179.4 | -70.9 | -173.9 | 166.5 | 0 | 0 | 110.4 | M39 Q42 L106 | M39-E44 HydrophobicContact CE-CB 3.73Å; M39-E44 PolarHBondContact N-O 2Å; M39-E44 PolarHBondContact O-N 2.96Å; Q42-E44 HydrophobicContact CB-CB 4.34Å; Q42-E44 HydrophobicContact CB-CG 4.22Å; Q42-E44 PolarHBondContact O-N 3.3Å; E44-L106 CarbonylContact C-O 3.54Å; E44-L106 VanDerWaalsContact CA-O 3.28Å; E44-L106 WeakPolarHBondContact CA-O 3.36Å |
| 45 | T | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.8 | 168.6 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | I11 P36 V37 S105 L106 F115 | I11-T45 HydrophobicContact CD1-CG2 3.37Å; I11-T45 HydrophobicContact CG1-CG2 3.99Å; P36-T45 WeakPolarHBondContact CB-OG1 3.4Å; V37-T45 CarbonylContact O-C 3.57Å; V37-T45 VanDerWaalsContact O-CA 3.28Å; V37-T45 WeakPolarHBondContact O-CA 3.47Å; V37-T45 PolarHBondContact O-OG1 3.41Å; T45-S105 WeakPolarHBondContact O-CA 3.42Å; T45-L106 HydrophobicContact CG2-CB 3.76Å; T45-L106 HydrophobicContact CG2-CD1 4.31Å; T45-L106 HydrophobicContact CG2-CG 4.44Å; T45-L106 PolarHBondContact N-O 3.27Å; T45-L106 PolarHBondContact O-N 2.96Å; T45-F115 HydrophobicContact CG2-CB 3.93Å; T45-F115 HydrophobicContact CG2-CD1 3.48Å; T45-F115 VanDerWaalsContact CG2-CD1 3.48Å; T45-F115 HydrophobicContact CG2-CD2 3.89Å; T45-F115 HydrophobicContact CG2-CE1 3.91Å; T45-F115 HydrophobicContact CG2-CE2 4.25Å; T45-F115 HydrophobicContact CG2-CG 3.47Å; T45-F115 VanDerWaalsContact CG2-CG 3.47Å; T45-F115 HydrophobicContact CG2-CZ 4.27Å |
| 46 | L | 93.4 | Very high | 85.8 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.6 | -178.4 | -171.7 | 76 | 0 | 0 | 0 | 110.4 | P36 V37 M39 V48 K103 Y104 | P36-L46 CarbonylContact C-O 3.28Å; P36-L46 VanDerWaalsContact CA-O 3.26Å; P36-L46 WeakPolarHBondContact CA-O 3.37Å; V37-L46 HydrophobicContact CB-CB 4.19Å; V37-L46 PolarHBondContact N-O 2.99Å; V37-L46 PolarHBondContact O-N 2.86Å; M39-L46 HydrophobicContact CE-CB 4.34Å; L46-V48 HydrophobicContact CD2-CG2 4.1Å; L46-V48 HydrophobicContact CG-CG2 4.31Å; L46-K103 HydrophobicContact CD1-CB 4.07Å; L46-K103 HydrophobicContact CD2-CD 4.27Å; L46-K103 HydrophobicContact CD2-CG 4.42Å; L46-Y104 CarbonylContact C-O 3.5Å; L46-Y104 WeakPolarHBondContact CA-O 3.44Å; L46-Y104 WeakPolarHBondContact CD1-O 3.28Å |
| 47 | V | 91.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.9 | 170 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | P36 L49 K103 Y104 L106 V119 F130 | P36-V47 HydrophobicContact CB-CG2 4.35Å; P36-V47 HydrophobicContact CG-CG2 4.34Å; V47-L49 HydrophobicContact CG1-CD2 3.92Å; V47-K103 WeakPolarHBondContact O-CA 3.39Å; V47-Y104 PolarHBondContact N-O 2.74Å; V47-Y104 PolarHBondContact O-N 3.34Å; V47-L106 HydrophobicContact CG2-CD1 4.01Å; V47-L106 HydrophobicContact CG2-CG 4.37Å; V47-V119 HydrophobicContact CB-CG2 4.48Å; V47-V119 HydrophobicContact CG1-CG1 4.28Å; V47-V119 HydrophobicContact CG2-CG2 4.48Å; V47-F130 HydrophobicContact CG1-CD1 3.67Å; V47-F130 HydrophobicContact CG1-CD2 4.41Å; V47-F130 HydrophobicContact CG1-CE1 3.25Å; V47-F130 HydrophobicContact CG1-CE2 4.06Å; V47-F130 HydrophobicContact CG1-CG 4.25Å; V47-F130 HydrophobicContact CG1-CZ 3.49Å; V47-F130 VanDerWaalsContact CG1-CZ 3.49Å |
| 48 | V | 89.5 | Confident | 84.8 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.3 | 179 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | V33 L46 F101 L102 K103 | V33-V48 WeakPolarHBondContact CG2-O 3.5Å; L46-V48 HydrophobicContact CD2-CG2 4.1Å; L46-V48 HydrophobicContact CG-CG2 4.31Å; V48-F101 HydrophobicContact CG1-CB 3.94Å; V48-F101 HydrophobicContact CG1-CD1 3.86Å; V48-F101 HydrophobicContact CG1-CG 4.25Å; V48-L102 CarbonylContact C-O 3.51Å; V48-L102 WeakPolarHBondContact CA-O 3.42Å; V48-K103 HydrophobicContact CG2-CG 4.42Å |
| 49 | L | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 145.9 | 170.5 | -44.6 | -176.2 | 0 | 0 | 0 | 109 | V47 F59 I72 I86 F101 L102 Y104 V119 A120 F130 Q132 | V47-L49 HydrophobicContact CG1-CD2 3.92Å; L49-F59 HydrophobicContact CB-CZ 4.3Å; L49-F59 HydrophobicContact CD1-CZ 4.29Å; L49-I72 HydrophobicContact CD1-CG2 4.03Å; L49-I72 HydrophobicContact CD2-CG2 3.9Å; L49-I86 HydrophobicContact CD1-CD1 3.66Å; L49-F101 CarbonylContact O-C 3.51Å; L49-F101 VanDerWaalsContact O-CA 3.23Å; L49-F101 WeakPolarHBondContact O-CA 3.31Å; L49-L102 HydrophobicContact CB-CB 4.26Å; L49-L102 PolarHBondContact N-O 2.87Å; L49-L102 PolarHBondContact O-N 2.93Å; L49-Y104 HydrophobicContact CD1-CD2 4.21Å; L49-Y104 HydrophobicContact CD1-CE2 3.69Å; L49-Y104 HydrophobicContact CG-CD2 4.23Å; L49-Y104 HydrophobicContact CG-CE2 4.06Å; L49-V119 HydrophobicContact CD1-CG1 4.07Å; L49-V119 HydrophobicContact CD2-CG1 4.33Å; L49-V119 HydrophobicContact CG-CG1 4.45Å; L49-A120 HydrophobicContact CD1-CB 4.33Å; L49-F130 HydrophobicContact CD2-CE1 3.81Å; L49-F130 HydrophobicContact CD2-CZ 3.55Å; L49-Q132 HydrophobicContact CD2-CB 4.3Å |
| 50 | K | 86.4 | Confident | 84.2 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.3 | 176.9 | -176.7 | 176.3 | -167.6 | -165.3 | 0 | 108 | F31 V33 S52 N53 F58 F101 Q132 | F31-K50 HydrophobicContact CE1-CB 4.46Å; F31-K50 HydrophobicContact CE1-CD 4.24Å; F31-K50 HydrophobicContact CZ-CD 4.28Å; V33-K50 HydrophobicContact CB-CB 4.28Å; V33-K50 HydrophobicContact CG1-CB 4.05Å; V33-K50 HydrophobicContact CG1-CD 4.1Å; V33-K50 HydrophobicContact CG2-CB 3.23Å; V33-K50 HydrophobicContact CG2-CD 4.35Å; V33-K50 HydrophobicContact CG2-CG 4.43Å; K50-S52 WeakPolarHBondContact CE-O 3.24Å; K50-S52 WeakPolarHBondContact CG-O 3.32Å; K50-N53 PolarHBondContact NZ-ND2 2.86Å; K50-F58 HydrophobicContact CB-CD2 4.25Å; K50-F58 HydrophobicContact CB-CE2 4.44Å; K50-F58 HydrophobicContact CD-CD2 4.04Å; K50-F58 HydrophobicContact CD-CE2 3.43Å; K50-F58 VanDerWaalsContact CD-CE2 3.43Å; K50-F58 HydrophobicContact CD-CZ 4.1Å; K50-F58 HydrophobicContact CG-CD2 3.81Å; K50-F58 HydrophobicContact CG-CE2 3.73Å; K50-F58 VanDerWaalsContact O-CB 3.3Å; K50-F58 WeakPolarHBondContact O-CB 3.38Å; K50-F101 HydrophobicContact CB-CD1 3.95Å; K50-F101 HydrophobicContact CB-CE1 4Å; K50-F101 HydrophobicContact CD-CE1 3.78Å; K50-F101 HydrophobicContact CD-CZ 4.42Å; K50-F101 HydrophobicContact CG-CD1 4.02Å; K50-F101 HydrophobicContact CG-CE1 3.7Å; K50-F101 HydrophobicContact CG-CZ 4.47Å; K50-Q132 PolarHBondContact O-NE2 3.45Å; K50-Q132 PolarHBondContact O-OE1 3.07Å |
| 51 | A | 82.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -74.8 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F58 F59 A94 Q100 | A51-F58 PolarHBondContact O-N 2.82Å; A51-F59 HydrophobicContact CB-CD2 3.85Å; A51-F59 HydrophobicContact CB-CE2 4.14Å; A51-F59 HydrophobicContact CB-CG 4.46Å; A51-F59 PolarHBondContact O-N 2.93Å; A51-A94 HydrophobicContact CB-CB 3.77Å; A51-Q100 HydrophobicContact CB-CB 4.46Å; A51-Q100 PolarHBondContact N-O 2.04Å | ||
| 52 | S | 78.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -156.8 | 168 | -172.8 | 60 | 0 | 0 | 0 | 0 | 113.7 | K50 N56 N57 A94 G96 G99 Q100 | K50-S52 WeakPolarHBondContact CE-O 3.24Å; K50-S52 WeakPolarHBondContact CG-O 3.32Å; S52-N56 CarbonylContact C-O 3.56Å; S52-N57 WeakPolarHBondContact CB-OD1 3.03Å; S52-A94 WeakPolarHBondContact CB-O 3.47Å; S52-A94 PolarHBondContact OG-O 3.31Å; S52-G96 WeakPolarHBondContact CB-O 3.44Å; S52-G96 PolarHBondContact OG-O 2.86Å; S52-G99 WeakPolarHBondContact O-CA 3.33Å; S52-Q100 PolarHBondContact OG-N 3.13Å |
| 53 | N | 77.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | trans | -148.6 | 178.5 | 164.1 | 71.2 | 71.3 | 0 | 0 | 0 | 111.2 | K50 R55 N56 F58 | K50-N53 PolarHBondContact NZ-ND2 2.86Å; N53-R55 PolarHBondContact O-N 2.94Å; N53-R55 VanDerWaalsContact OD1-CA 3.27Å; N53-R55 WeakPolarHBondContact OD1-CA 2.96Å; N53-R55 VanDerWaalsContact OD1-CB 3.27Å; N53-R55 WeakPolarHBondContact OD1-CB 3.31Å; N53-R55 PolarHBondContact OD1-N 3.11Å; N53-N56 PolarHBondContact N-O 3Å; N53-N56 PolarHBondContact ND2-O 3.22Å; N53-N56 PolarHBondContact O-N 3.23Å; N53-N56 PolarHBondContact OD1-N 3.47Å; N53-F58 WeakPolarHBondContact ND2-CE2 3.5Å; N53-F58 VanDerWaalsContact ND2-CZ 3.26Å; N53-F58 WeakPolarHBondContact ND2-CZ 3.23Å | ||
| 54 | I | 75.1 | Confident | 82.5 | Confident | 143 Ų | 143 | 53.1 Ų | 53.1 | 73% | 0.733 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -59.8 | -18.9 | -179 | -160 | 168.7 | 0 | 0 | 0 | 114.7 | ||
| 55 | R | 73.3 | Confident | 81.4 | Confident | 214 Ų | 214 | 53.1 Ų | 53.1 | 81% | 0.808 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -107.9 | -41.1 | -179.1 | -53.2 | -172.8 | 179.4 | -162.9 | -1.9 | 113 | N53 | N53-R55 PolarHBondContact O-N 2.94Å; N53-R55 VanDerWaalsContact OD1-CA 3.27Å; N53-R55 WeakPolarHBondContact OD1-CA 2.96Å; N53-R55 VanDerWaalsContact OD1-CB 3.27Å; N53-R55 WeakPolarHBondContact OD1-CB 3.31Å; N53-R55 PolarHBondContact OD1-N 3.11Å |
| 56 | N | 76.4 | Confident | 80.5 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | trans | -137.7 | 142.4 | -169 | -57.9 | -29.4 | 0 | 0 | 0 | 112.1 | S52 N53 | S52-N56 CarbonylContact C-O 3.56Å; N53-N56 PolarHBondContact N-O 3Å; N53-N56 PolarHBondContact ND2-O 3.22Å; N53-N56 PolarHBondContact O-N 3.23Å; N53-N56 PolarHBondContact OD1-N 3.47Å | ||
| 57 | N | 78.3 | Confident | 79.8 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 135.5 | 162 | -66.2 | -25.9 | 0 | 0 | 0 | 108.8 | S52 V95 G96 | S52-N57 WeakPolarHBondContact CB-OD1 3.03Å; N57-V95 HydrophobicContact CB-CG1 4.25Å; N57-G96 PolarHBondContact OD1-N 2.78Å |
| 58 | F | 81.4 | Confident | 79.4 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -103.3 | -14 | 176.6 | -58.4 | -85.8 | 0 | 0 | 0 | 112.1 | F31 K50 A51 N53 Y134 | F31-F58 AromaticContact CD1-CD1 3.68Å; F31-F58 HydrophobicContact CD1-CD1 3.68Å; F31-F58 AromaticContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CE1 3.58Å; F31-F58 HydrophobicContact CD1-CG 4.44Å; F31-F58 HydrophobicContact CD1-CZ 4.26Å; F31-F58 HydrophobicContact CD2-CE1 4.18Å; F31-F58 AromaticContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD1 3.69Å; F31-F58 HydrophobicContact CE1-CD2 4.39Å; F31-F58 AromaticContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE1 3.29Å; F31-F58 HydrophobicContact CE1-CE2 4.06Å; F31-F58 HydrophobicContact CE1-CG 4.22Å; F31-F58 AromaticContact CE1-CZ 3.5Å; F31-F58 HydrophobicContact CE1-CZ 3.5Å; F31-F58 AromaticContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CE1 3.94Å; F31-F58 HydrophobicContact CE2-CZ 4.14Å; F31-F58 HydrophobicContact CG-CD1 4.34Å; F31-F58 HydrophobicContact CG-CE1 4.02Å; F31-F58 HydrophobicContact CZ-CD1 4.35Å; F31-F58 AromaticContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE1 3.5Å; F31-F58 VanDerWaalsContact CZ-CE1 3.5Å; F31-F58 HydrophobicContact CZ-CE2 4.25Å; F31-F58 AromaticContact CZ-CZ 3.43Å; F31-F58 HydrophobicContact CZ-CZ 3.43Å; F31-F58 VanDerWaalsContact CZ-CZ 3.43Å; K50-F58 HydrophobicContact CB-CD2 4.25Å; K50-F58 HydrophobicContact CB-CE2 4.44Å; K50-F58 HydrophobicContact CD-CD2 4.04Å; K50-F58 HydrophobicContact CD-CE2 3.43Å; K50-F58 VanDerWaalsContact CD-CE2 3.43Å; K50-F58 HydrophobicContact CD-CZ 4.1Å; K50-F58 HydrophobicContact CG-CD2 3.81Å; K50-F58 HydrophobicContact CG-CE2 3.73Å; K50-F58 VanDerWaalsContact O-CB 3.3Å; K50-F58 WeakPolarHBondContact O-CB 3.38Å; A51-F58 PolarHBondContact O-N 2.82Å; N53-F58 WeakPolarHBondContact ND2-CE2 3.5Å; N53-F58 VanDerWaalsContact ND2-CZ 3.26Å; N53-F58 WeakPolarHBondContact ND2-CZ 3.23Å; F58-Y134 HydrophobicContact CD1-CG 4.26Å |
| 59 | F | 83.4 | Confident | 79.3 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -110.3 | 151.3 | 169 | -66.5 | -9.3 | 0 | 0 | 0 | 110.2 | L49 A51 A68 Q69 I86 V88 V95 L102 Q132 | L49-F59 HydrophobicContact CB-CZ 4.3Å; L49-F59 HydrophobicContact CD1-CZ 4.29Å; A51-F59 HydrophobicContact CB-CD2 3.85Å; A51-F59 HydrophobicContact CB-CE2 4.14Å; A51-F59 HydrophobicContact CB-CG 4.46Å; A51-F59 PolarHBondContact O-N 2.93Å; F59-A68 HydrophobicContact CB-CB 3.99Å; F59-A68 HydrophobicContact CD2-CB 3.79Å; F59-A68 HydrophobicContact CG-CB 4.35Å; F59-Q69 CarbonylContact C-O 3.52Å; F59-Q69 WeakPolarHBondContact CA-O 3.49Å; F59-Q69 VanDerWaalsContact CB-O 3.3Å; F59-Q69 WeakPolarHBondContact CB-O 3.11Å; F59-I86 HydrophobicContact CE1-CD1 4.23Å; F59-I86 HydrophobicContact CZ-CD1 3.88Å; F59-V88 HydrophobicContact CD2-CG2 4.15Å; F59-V88 HydrophobicContact CE2-CG2 3.53Å; F59-V88 HydrophobicContact CZ-CG2 4.18Å; F59-V95 HydrophobicContact CB-CG2 4.1Å; F59-L102 HydrophobicContact CE2-CD1 3.57Å; F59-L102 HydrophobicContact CZ-CD1 4.14Å; F59-Q132 VanDerWaalsContact CE1-NE2 3.28Å |
| 60 | T | 83.3 | Confident | 79.2 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.5 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 109.1 | A62 Q69 | T60-A62 PolarHBondContact O-N 2.85Å; T60-Q69 PolarHBondContact N-O 3.44Å; T60-Q69 PolarHBondContact O-N 3.14Å |
| 61 | L | 81.6 | Confident | 79.3 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 41% | 0.408 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.2 | 171.3 | -85.1 | 149 | 0 | 0 | 0 | 109.3 | A92 V95 | L61-A92 HydrophobicContact CD2-CB 4.43Å; L61-V95 HydrophobicContact CD1-CB 3.72Å; L61-V95 HydrophobicContact CD1-CG1 3.63Å; L61-V95 HydrophobicContact CD2-CB 4.36Å; L61-V95 HydrophobicContact CD2-CG2 4.5Å; L61-V95 HydrophobicContact CG-CB 3.7Å; L61-V95 HydrophobicContact CG-CG1 3.8Å; L61-V95 HydrophobicContact CG-CG2 3.99Å |
| 62 | A | 78.1 | Confident | 79.8 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 164 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T60 D64 G65 Q67 Q69 | T60-A62 PolarHBondContact O-N 2.85Å; A62-D64 WeakPolarHBondContact CB-OD1 3.19Å; A62-D64 PolarHBondContact O-N 3.41Å; A62-D64 VanDerWaalsContact O-N 3.11Å; A62-G65 PolarHBondContact O-N 2.74Å; A62-Q67 HydrophobicContact CB-CB 3.9Å; A62-Q67 WeakPolarHBondContact CB-O 2.99Å; A62-Q67 PolarHBondContact N-O 3.02Å; A62-Q69 HydrophobicContact CB-CG 4.24Å |
| 63 | T | 76 | Confident | 80.4 | Confident | 159 Ų | 159 | 61.8 Ų | 61.8 | 98% | 0.975 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.4 | -175 | -38.9 | 0 | 0 | 0 | 0 | 113.4 | G65 | T63-G65 VanDerWaalsContact C-N 3.32Š|
| 64 | D | 72.6 | Confident | 81.1 | Confident | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.7 | 175.1 | 61.4 | 10.1 | 0 | 0 | 0 | 113.5 | A62 E66 Q67 | A62-D64 WeakPolarHBondContact CB-OD1 3.19Å; A62-D64 PolarHBondContact O-N 3.41Å; A62-D64 VanDerWaalsContact O-N 3.11Å; D64-E66 PolarHBondContact O-N 2.92Å; D64-E66 PolarHBondContact OD1-N 2.02Å; D64-Q67 PolarHBondContact OD1-N 2.88Å; D64-Q67 VanDerWaalsContact OD1-N 3.14Å; D64-Q67 VanDerWaalsContact OD2-CD 3.32Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.28Å; D64-Q67 PolarHBondContact OD2-NE2 3.47Å |
| 65 | G | 70.7 | Confident | 82 | Confident | 46 Ų | 46 | 55 Ų | 55 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 69.5 | 0.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A62 T63 | A62-G65 PolarHBondContact O-N 2.74Å; T63-G65 VanDerWaalsContact C-N 3.32Å |
| 66 | E | 73 | Confident | 82.9 | Confident | 149 Ų | 149 | 45.3 Ų | 45.3 | 70% | 0.696 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -108.1 | -6.8 | -175.6 | -66.2 | -166.4 | 167.8 | 0 | 0 | 112.7 | D64 A92 | D64-E66 PolarHBondContact O-N 2.92Å; D64-E66 PolarHBondContact OD1-N 2.02Å; E66-A92 WeakPolarHBondContact O-CB 3.39Å |
| 67 | Q | 79.5 | Confident | 83.7 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | trans | -128.2 | 140.2 | 178.8 | -60.2 | 176.6 | 47.1 | 0 | 0 | 111.1 | A62 D64 T87 T89 | A62-Q67 HydrophobicContact CB-CB 3.9Å; A62-Q67 WeakPolarHBondContact CB-O 2.99Å; A62-Q67 PolarHBondContact N-O 3.02Å; D64-Q67 PolarHBondContact OD1-N 2.88Å; D64-Q67 VanDerWaalsContact OD1-N 3.14Å; D64-Q67 VanDerWaalsContact OD2-CD 3.32Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.28Å; D64-Q67 PolarHBondContact OD2-NE2 3.47Å; Q67-T87 HydrophobicContact CB-CG2 3.83Å; Q67-T87 HydrophobicContact CG-CG2 4.19Å; Q67-T89 HydrophobicContact CG-CG2 4.11Å | ||
| 68 | A | 82.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | F59 T87 V88 V95 | F59-A68 HydrophobicContact CB-CB 3.99Å; F59-A68 HydrophobicContact CD2-CB 3.79Å; F59-A68 HydrophobicContact CG-CB 4.35Å; A68-T87 CarbonylContact O-C 3.47Å; A68-T87 WeakPolarHBondContact O-CA 3.31Å; A68-V88 PolarHBondContact N-O 2.91Å; A68-V88 PolarHBondContact O-N 2.89Å; A68-V95 HydrophobicContact CB-CG2 3.71Å |
| 69 | Q | 86.6 | Confident | 84.7 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.2 | 178.2 | -61.3 | -178.4 | -33 | 0 | 0 | 110.1 | L26 F59 T60 A62 I86 | L26-Q69 HydrophobicContact CD1-CB 3.91Å; F59-Q69 CarbonylContact C-O 3.52Å; F59-Q69 WeakPolarHBondContact CA-O 3.49Å; F59-Q69 VanDerWaalsContact CB-O 3.3Å; F59-Q69 WeakPolarHBondContact CB-O 3.11Å; T60-Q69 PolarHBondContact N-O 3.44Å; T60-Q69 PolarHBondContact O-N 3.14Å; A62-Q69 HydrophobicContact CB-CG 4.24Å; Q69-I86 WeakPolarHBondContact CA-O 3.21Å |
| 70 | G | 87.3 | Confident | 85 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | -172.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | D85 I86 | G70-D85 CarbonylContact O-C 3.59Å; G70-D85 WeakPolarHBondContact O-CA 3.28Å; G70-I86 PolarHBondContact N-O 2.79Å; G70-I86 WeakPolarHBondContact O-CG1 3.27Å; G70-I86 PolarHBondContact O-N 3.31Å |
| 71 | S | 89 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.2 | 174.4 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | S84 D85 Y133 | S71-S84 WeakPolarHBondContact CA-O 3.44Å; S71-D85 PolarHBondContact OG-OD1 2.96Å; S71-Y133 PolarHBondContact O-N 2.86Å |
| 72 | I | 91 | Very high | 85.7 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.3 | 172.7 | 65.7 | -178.2 | 0 | 0 | 0 | 109 | L49 Q83 S84 I86 V119 V122 M124 F130 A131 Q132 | L49-I72 HydrophobicContact CD1-CG2 4.03Å; L49-I72 HydrophobicContact CD2-CG2 3.9Å; I72-Q83 CarbonylContact O-C 3.57Å; I72-Q83 WeakPolarHBondContact O-CA 3.37Å; I72-S84 PolarHBondContact N-O 2.78Å; I72-S84 PolarHBondContact O-N 2.98Å; I72-I86 HydrophobicContact CD1-CG2 3.65Å; I72-I86 HydrophobicContact CG1-CG2 3.69Å; I72-I86 HydrophobicContact CG2-CD1 3.64Å; I72-I86 HydrophobicContact CG2-CG1 4.26Å; I72-V119 HydrophobicContact CD1-CB 3.87Å; I72-V119 HydrophobicContact CD1-CG1 3.65Å; I72-V122 HydrophobicContact CD1-CB 4.16Å; I72-V122 HydrophobicContact CD1-CG2 4.14Å; I72-V122 HydrophobicContact CG1-CG2 4.44Å; I72-M124 HydrophobicContact CD1-CE 3.4Å; I72-M124 VanDerWaalsContact CD1-CE 3.4Å; I72-M124 HydrophobicContact CG1-CE 4.07Å; I72-F130 HydrophobicContact CB-CE2 3.99Å; I72-F130 HydrophobicContact CB-CZ 3.94Å; I72-F130 HydrophobicContact CD1-CE2 4.31Å; I72-F130 HydrophobicContact CG2-CZ 4.01Å; I72-A131 CarbonylContact C-O 3.56Å; I72-A131 WeakPolarHBondContact CA-O 3.41Å; I72-Q132 HydrophobicContact CG2-CB 4.44Å |
| 73 | G | 91.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R82 F130 A131 | G73-R82 CarbonylContact C-O 3.54Å; G73-R82 WeakPolarHBondContact CA-O 3.18Å; G73-F130 WeakPolarHBondContact O-CD2 3.39Å; G73-A131 PolarHBondContact N-O 3.05Å; G73-A131 PolarHBondContact O-N 3.47Å; G73-A131 VanDerWaalsContact O-O 3.12Å |
| 74 | Y | 92.8 | Very high | 86.8 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.2 | -179.6 | 71.7 | -81.8 | 0 | 0 | 0 | 110.9 | D76 C81 R82 V122 M124 V127 S129 | Y74-D76 HydrophobicContact CE2-CB 4.27Å; Y74-C81 WeakPolarHBondContact O-CA 3.03Å; Y74-R82 HydrophobicContact CD1-CB 4.28Å; Y74-R82 HydrophobicContact CE1-CB 3.87Å; Y74-R82 PolarHBondContact N-O 2.67Å; Y74-R82 PolarHBondContact O-N 3.25Å; Y74-R82 WeakPolarHBondContact OH-CD 3.21Å; Y74-V122 HydrophobicContact CE1-CG1 4.42Å; Y74-M124 HydrophobicContact CD1-CB 4.48Å; Y74-M124 HydrophobicContact CD1-CE 3.97Å; Y74-M124 HydrophobicContact CD1-CG 3.78Å; Y74-M124 HydrophobicContact CD1-SD 4Å; Y74-M124 HydrophobicContact CD2-CB 4.48Å; Y74-M124 HydrophobicContact CE1-CB 4.33Å; Y74-M124 HydrophobicContact CE1-CG 3.77Å; Y74-M124 HydrophobicContact CE2-CB 4.32Å; Y74-M124 HydrophobicContact CG-CG 4.2Å; Y74-M124 HydrophobicContact CG-SD 4.16Å; Y74-V127 HydrophobicContact CD2-CG2 3.99Å; Y74-S129 CarbonylContact C-O 3.56Å; Y74-S129 WeakPolarHBondContact CA-O 3.3Å; Y74-S129 WeakPolarHBondContact CB-O 3.26Å |
| 75 | I | 92.8 | Very high | 87.6 | Confident | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.6 | 170.6 | -62.1 | 173.1 | 0 | 0 | 0 | 107.2 | I14 T80 C81 V128 S129 | I14-I75 HydrophobicContact CD1-CD1 4.24Å; I14-I75 HydrophobicContact CD1-CG1 3.92Å; I14-I75 HydrophobicContact CG1-CD1 4.03Å; I14-I75 HydrophobicContact CG1-CG1 4.19Å; I75-T80 WeakPolarHBondContact CA-O 3.39Å; I75-C81 HydrophobicContact CD1-CB 4.48Å; I75-C81 HydrophobicContact CG1-CB 3.78Å; I75-C81 VanDerWaalsContact CG1-SG 3.57Å; I75-V128 WeakPolarHBondContact O-CB 3.32Å; I75-V128 PolarHBondContact O-N 3.38Å; I75-S129 PolarHBondContact N-O 2.81Å; I75-S129 PolarHBondContact O-N 3.36Å |
| 76 | D | 93.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 175.8 | 174.6 | 66 | 32.5 | 0 | 0 | 0 | 112 | Y74 S78 G79 T80 R82 N126 | Y74-D76 HydrophobicContact CE2-CB 4.27Å; D76-S78 PolarHBondContact O-N 3.13Å; D76-S78 VanDerWaalsContact O-N 3.15Å; D76-S78 WeakPolarHBondContact OD1-CA 3.26Å; D76-S78 VanDerWaalsContact OD1-CB 3.26Å; D76-S78 WeakPolarHBondContact OD1-CB 3.1Å; D76-S78 PolarHBondContact OD1-N 3.17Å; D76-S78 PolarHBondContact OD1-OG 3.31Å; D76-G79 PolarHBondContact O-N 3.1Å; D76-G79 PolarHBondContact OD1-N 2.96Å; D76-T80 PolarHBondContact N-O 2.91Å; D76-T80 PolarHBondContact OD1-N 3.13Å; D76-R82 IonicContact OD2-CZ 3.54Å; D76-R82 IonicContact OD2-NE 3.33Å; D76-R82 PolarHBondContact OD2-NE 2.64Å; D76-R82 IonicContact OD2-NH2 2.96Å; D76-R82 PolarHBondContact OD2-NH2 2.65Å; D76-N126 CarbonylContact C-O 3.56Å; D76-N126 VanDerWaalsContact CA-O 3.28Å; D76-N126 WeakPolarHBondContact CA-O 3.09Å |
| 77 | T | 93.3 | Very high | 89.1 | Confident | 80 Ų | 80 | 37 Ų | 37 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.7 | 178.3 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | R114 N126 V128 | T77-R114 HydrophobicContact CG2-CG 3.7Å; T77-N126 HydrophobicContact CG2-CB 4.04Å; T77-N126 PolarHBondContact N-O 3.43Å; T77-N126 VanDerWaalsContact N-O 3.08Å; T77-N126 WeakPolarHBondContact OG1-CB 3.41Å; T77-V128 HydrophobicContact CG2-CG2 3.78Å |
| 78 | S | 91.7 | Very high | 89.2 | Confident | 84 Ų | 84 | 34.4 Ų | 34.4 | 59% | 0.587 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -7.3 | 172.4 | 78.2 | 0 | 0 | 0 | 0 | 112.7 | D76 T80 | D76-S78 PolarHBondContact O-N 3.13Å; D76-S78 VanDerWaalsContact O-N 3.15Å; D76-S78 WeakPolarHBondContact OD1-CA 3.26Å; D76-S78 VanDerWaalsContact OD1-CB 3.26Å; D76-S78 WeakPolarHBondContact OD1-CB 3.1Å; D76-S78 PolarHBondContact OD1-N 3.17Å; D76-S78 PolarHBondContact OD1-OG 3.31Å; S78-T80 VanDerWaalsContact C-N 3.25Å; S78-T80 WeakPolarHBondContact OG-CB 3.43Å; S78-T80 PolarHBondContact OG-N 3.29Å; S78-T80 PolarHBondContact OG-OG1 3.15Å |
| 79 | G | 88.4 | Confident | 88.9 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 47% | 0.474 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 81 | 5.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D76 C81 | D76-G79 PolarHBondContact O-N 3.1Å; D76-G79 PolarHBondContact OD1-N 2.96Å; G79-C81 PolarHBondContact O-N 3.18Å |
| 80 | T | 89.5 | Confident | 88 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | trans | -79 | 121.2 | 178 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | I75 D76 S78 R82 | I75-T80 WeakPolarHBondContact CA-O 3.39Å; D76-T80 PolarHBondContact N-O 2.91Å; D76-T80 PolarHBondContact OD1-N 3.13Å; S78-T80 VanDerWaalsContact C-N 3.25Å; S78-T80 WeakPolarHBondContact OG-CB 3.43Å; S78-T80 PolarHBondContact OG-N 3.29Å; S78-T80 PolarHBondContact OG-OG1 3.15Å; T80-R82 HydrophobicContact CG2-CG 4.18Å | ||
| 81 | C | 88.8 | Confident | 86.6 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 12% | 0.122 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.7 | 172.4 | -159.7 | 0 | 0 | 0 | 0 | 109.4 | T20 C21 Y74 I75 G79 | T20-C81 VanDerWaalsContact OG1-CB 3.26Å; T20-C81 WeakPolarHBondContact OG1-CB 3.45Å; C21-C81 WeakPolarHBondContact CA-SG 3.43Å; C21-C81 HydrophobicContact CB-CB 3.89Å; C21-C81 WeakPolarHBondContact CB-SG 3.03Å; C21-C81 PolarHBondContact N-SG 3.28Å; C21-C81 VanDerWaalsContact SG-C 3.51Å; C21-C81 WeakPolarHBondContact SG-CB 3.47Å; C21-C81 CovalentContact SG-SG 2.02Å; C21-C81 PolarHBondContact SG-SG 3.36Å; Y74-C81 WeakPolarHBondContact O-CA 3.03Å; I75-C81 HydrophobicContact CD1-CB 4.48Å; I75-C81 HydrophobicContact CG1-CB 3.78Å; I75-C81 VanDerWaalsContact CG1-SG 3.57Å; G79-C81 PolarHBondContact O-N 3.18Å |
| 82 | R | 89.9 | Confident | 85.2 | Confident | 112 Ų | 112 | 43 Ų | 43 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.9 | 178.4 | -58.6 | -177.4 | -160.3 | -159.8 | 1.6 | 108.3 | G73 Y74 D76 T80 | G73-R82 CarbonylContact C-O 3.54Å; G73-R82 WeakPolarHBondContact CA-O 3.18Å; Y74-R82 HydrophobicContact CD1-CB 4.28Å; Y74-R82 HydrophobicContact CE1-CB 3.87Å; Y74-R82 PolarHBondContact N-O 2.67Å; Y74-R82 PolarHBondContact O-N 3.25Å; Y74-R82 WeakPolarHBondContact OH-CD 3.21Å; D76-R82 IonicContact OD2-CZ 3.54Å; D76-R82 IonicContact OD2-NE 3.33Å; D76-R82 PolarHBondContact OD2-NE 2.64Å; D76-R82 IonicContact OD2-NH2 2.96Å; D76-R82 PolarHBondContact OD2-NH2 2.65Å; T80-R82 HydrophobicContact CG2-CG 4.18Å |
| 83 | Q | 89.7 | Confident | 83.8 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 143.8 | 170 | -172.2 | 170.6 | -15.9 | 0 | 0 | 109.2 | C21 G24 H27 I72 Y133 | C21-Q83 HydrophobicContact CB-CB 4.04Å; G24-Q83 VanDerWaalsContact N-NE2 3.14Å; G24-Q83 VanDerWaalsContact N-OE1 3.14Å; H27-Q83 PolarHBondContact O-NE2 3.03Å; I72-Q83 CarbonylContact O-C 3.57Å; I72-Q83 WeakPolarHBondContact O-CA 3.37Å; Q83-Y133 HydrophobicContact CG-CD2 4.28Å; Q83-Y133 HydrophobicContact CG-CE2 4.26Å |
| 84 | S | 89.4 | Confident | 82.2 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 138.3 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | S71 I72 | S71-S84 WeakPolarHBondContact CA-O 3.44Å; I72-S84 PolarHBondContact N-O 2.78Å; I72-S84 PolarHBondContact O-N 2.98Å |
| 85 | D | 89.1 | Confident | 81 | Confident | 61 Ų | 61 | 49 Ų | 49 | 33% | 0.326 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 137.4 | 169.5 | -67 | -18.5 | 0 | 0 | 0 | 108.8 | T25 L26 G70 S71 | T25-D85 PolarHBondContact OG1-OD2 2.84Å; L26-D85 HydrophobicContact CD1-CB 3.87Å; G70-D85 CarbonylContact O-C 3.59Å; G70-D85 WeakPolarHBondContact O-CA 3.28Å; S71-D85 PolarHBondContact OG-OD1 2.96Å |
| 86 | I | 87.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.8 | -178.3 | 56.9 | 161.5 | 0 | 0 | 0 | 110.2 | L49 F59 Q69 G70 I72 V88 A120 V122 | L49-I86 HydrophobicContact CD1-CD1 3.66Å; F59-I86 HydrophobicContact CE1-CD1 4.23Å; F59-I86 HydrophobicContact CZ-CD1 3.88Å; Q69-I86 WeakPolarHBondContact CA-O 3.21Å; G70-I86 PolarHBondContact N-O 2.79Å; G70-I86 WeakPolarHBondContact O-CG1 3.27Å; G70-I86 PolarHBondContact O-N 3.31Å; I72-I86 HydrophobicContact CD1-CG2 3.65Å; I72-I86 HydrophobicContact CG1-CG2 3.69Å; I72-I86 HydrophobicContact CG2-CD1 3.64Å; I72-I86 HydrophobicContact CG2-CG1 4.26Å; I86-V88 HydrophobicContact CD1-CG2 4.34Å; I86-A120 HydrophobicContact CB-CB 3.91Å; I86-A120 HydrophobicContact CD1-CB 3.66Å; I86-A120 HydrophobicContact CG1-CB 4.41Å; I86-A120 HydrophobicContact CG2-CB 4Å; I86-V122 HydrophobicContact CG2-CG2 3.5Å |
| 87 | T | 87.3 | Confident | 78 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.2 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 108.2 | Q67 A68 | Q67-T87 HydrophobicContact CB-CG2 3.83Å; Q67-T87 HydrophobicContact CG-CG2 4.19Å; A68-T87 CarbonylContact O-C 3.47Å; A68-T87 WeakPolarHBondContact O-CA 3.31Å |
| 88 | V | 82 | Confident | 76.8 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.7 | -176.6 | -133.7 | 0 | 0 | 0 | 0 | 109.4 | F59 A68 I86 L102 | F59-V88 HydrophobicContact CD2-CG2 4.15Å; F59-V88 HydrophobicContact CE2-CG2 3.53Å; F59-V88 HydrophobicContact CZ-CG2 4.18Å; A68-V88 PolarHBondContact N-O 2.91Å; A68-V88 PolarHBondContact O-N 2.89Å; I86-V88 HydrophobicContact CD1-CG2 4.34Å; V88-L102 HydrophobicContact CB-CD1 4.27Å; V88-L102 HydrophobicContact CG1-CD1 3.85Å; V88-L102 HydrophobicContact CG2-CD1 4.07Å |
| 89 | T | 76.4 | Confident | 75.8 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -79.4 | -49.6 | 178.3 | 45.4 | 0 | 0 | 0 | 0 | 111 | Q67 G91 A92 | Q67-T89 HydrophobicContact CG-CG2 4.11Å; T89-G91 PolarHBondContact O-N 3.24Å; T89-A92 PolarHBondContact O-N 2.77Å |
| 90 | D | 66 | Low | 75.4 | Confident | 148 Ų | 148 | 54.4 Ų | 54.4 | 79% | 0.791 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 10 | 176.5 | -74.8 | -27.4 | 0 | 0 | 0 | 114.2 | ||
| 91 | G | 59.7 | Low | 75.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 5.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T89 A94 | T89-G91 PolarHBondContact O-N 3.24Å; G91-A94 WeakPolarHBondContact O-CA 3.39Å; G91-A94 WeakPolarHBondContact O-CB 3.34Å; G91-A94 PolarHBondContact O-N 2.9Å |
| 92 | A | 59.7 | Low | 75.1 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -66.9 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 E66 T89 A94 V95 | L61-A92 HydrophobicContact CD2-CB 4.43Å; E66-A92 WeakPolarHBondContact O-CB 3.39Å; T89-A92 PolarHBondContact O-N 2.77Å; A92-A94 PolarHBondContact O-N 2.82Å; A92-V95 PolarHBondContact O-N 2.92Å |
| 93 | S | 61.1 | Low | 75.1 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 76% | 0.755 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -65.8 | -5.9 | 170 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 94 | A | 58.2 | Low | 75.2 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -84.4 | -16.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A51 S52 G91 A92 G96 Q100 | A51-A94 HydrophobicContact CB-CB 3.77Å; S52-A94 WeakPolarHBondContact CB-O 3.47Å; S52-A94 PolarHBondContact OG-O 3.31Å; G91-A94 WeakPolarHBondContact O-CA 3.39Å; G91-A94 WeakPolarHBondContact O-CB 3.34Å; G91-A94 PolarHBondContact O-N 2.9Å; A92-A94 PolarHBondContact O-N 2.82Å; A94-G96 PolarHBondContact O-N 2.89Å; A94-Q100 VanDerWaalsContact CA-CD 3.42Å; A94-Q100 HydrophobicContact CB-CB 3.72Å; A94-Q100 HydrophobicContact CB-CG 4.04Å |
| 95 | V | 66.6 | Low | 75.4 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | trans | -77.8 | 108.2 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | N57 F59 L61 A68 A92 | N57-V95 HydrophobicContact CB-CG1 4.25Å; F59-V95 HydrophobicContact CB-CG2 4.1Å; L61-V95 HydrophobicContact CD1-CB 3.72Å; L61-V95 HydrophobicContact CD1-CG1 3.63Å; L61-V95 HydrophobicContact CD2-CB 4.36Å; L61-V95 HydrophobicContact CD2-CG2 4.5Å; L61-V95 HydrophobicContact CG-CB 3.7Å; L61-V95 HydrophobicContact CG-CG1 3.8Å; L61-V95 HydrophobicContact CG-CG2 3.99Å; A68-V95 HydrophobicContact CB-CG2 3.71Å; A92-V95 PolarHBondContact O-N 2.92Å | ||
| 96 | G | 63.5 | Low | 75.7 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 153 | 178.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | S52 N57 A94 N98 | S52-G96 WeakPolarHBondContact CB-O 3.44Å; S52-G96 PolarHBondContact OG-O 2.86Å; N57-G96 PolarHBondContact OD1-N 2.78Å; A94-G96 PolarHBondContact O-N 2.89Å; G96-N98 PolarHBondContact O-N 3.24Å; G96-N98 VanDerWaalsContact O-N 3.07Å |
| 97 | S | 60.4 | Low | 76 | Confident | 83 Ų | 83 | 59.9 Ų | 59.9 | 58% | 0.58 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.9 | -167.6 | 48.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 98 | N | 68.3 | Low | 76.4 | Confident | 142 Ų | 142 | 57.4 Ų | 57.4 | 76% | 0.759 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.3 | -170.9 | -66.4 | -29.2 | 0 | 0 | 0 | 114.8 | G96 | G96-N98 PolarHBondContact O-N 3.24Å; G96-N98 VanDerWaalsContact O-N 3.07Å |
| 99 | G | 70.4 | Confident | 76.9 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | trans | 65 | 92.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S52 | S52-G99 WeakPolarHBondContact O-CA 3.33Š| ||
| 100 | Q | 80.4 | Confident | 77.6 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | trans | -118.6 | 149.7 | -178.7 | -73.2 | -165.4 | 25 | 0 | 0 | 113.2 | A51 S52 A94 | A51-Q100 HydrophobicContact CB-CB 4.46Å; A51-Q100 PolarHBondContact N-O 2.04Å; S52-Q100 PolarHBondContact OG-N 3.13Å; A94-Q100 VanDerWaalsContact CA-CD 3.42Å; A94-Q100 HydrophobicContact CB-CB 3.72Å; A94-Q100 HydrophobicContact CB-CG 4.04Å | ||
| 101 | F | 84.9 | Confident | 78.8 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.9 | -179.5 | -58.8 | -83.7 | 0 | 0 | 0 | 110.6 | V33 V48 L49 K50 | V33-F101 HydrophobicContact CG1-CD1 4.01Å; V33-F101 HydrophobicContact CG1-CE1 3.59Å; V48-F101 HydrophobicContact CG1-CB 3.94Å; V48-F101 HydrophobicContact CG1-CD1 3.86Å; V48-F101 HydrophobicContact CG1-CG 4.25Å; L49-F101 CarbonylContact O-C 3.51Å; L49-F101 VanDerWaalsContact O-CA 3.23Å; L49-F101 WeakPolarHBondContact O-CA 3.31Å; K50-F101 HydrophobicContact CB-CD1 3.95Å; K50-F101 HydrophobicContact CB-CE1 4Å; K50-F101 HydrophobicContact CD-CE1 3.78Å; K50-F101 HydrophobicContact CD-CZ 4.42Å; K50-F101 HydrophobicContact CG-CD1 4.02Å; K50-F101 HydrophobicContact CG-CE1 3.7Å; K50-F101 HydrophobicContact CG-CZ 4.47Å |
| 102 | L | 86.6 | Confident | 80.3 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 142.1 | 172.6 | -58.5 | 163.8 | 0 | 0 | 0 | 108.7 | V48 L49 F59 V88 Y104 | V48-L102 CarbonylContact C-O 3.51Å; V48-L102 WeakPolarHBondContact CA-O 3.42Å; L49-L102 HydrophobicContact CB-CB 4.26Å; L49-L102 PolarHBondContact N-O 2.87Å; L49-L102 PolarHBondContact O-N 2.93Å; F59-L102 HydrophobicContact CE2-CD1 3.57Å; F59-L102 HydrophobicContact CZ-CD1 4.14Å; V88-L102 HydrophobicContact CB-CD1 4.27Å; V88-L102 HydrophobicContact CG1-CD1 3.85Å; V88-L102 HydrophobicContact CG2-CD1 4.07Å; L102-Y104 HydrophobicContact CB-CE2 3.8Å |
| 103 | K | 89.3 | Confident | 81.9 | Confident | 145 Ų | 145 | 66.6 Ų | 66.6 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.6 | -171.7 | -68.3 | 179.3 | -175.9 | 176 | 0 | 109.4 | L46 V47 V48 | L46-K103 HydrophobicContact CD1-CB 4.07Å; L46-K103 HydrophobicContact CD2-CD 4.27Å; L46-K103 HydrophobicContact CD2-CG 4.42Å; V47-K103 WeakPolarHBondContact O-CA 3.39Å; V48-K103 HydrophobicContact CG2-CG 4.42Å |
| 104 | Y | 91.6 | Very high | 83.5 | Confident | 47 Ų | 47 | 64 Ų | 64 | 18% | 0.184 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.3 | 177.3 | -59.3 | -88.2 | 0 | 0 | 0 | 109 | L46 V47 L49 L102 V119 A120 | L46-Y104 CarbonylContact C-O 3.5Å; L46-Y104 WeakPolarHBondContact CA-O 3.44Å; L46-Y104 WeakPolarHBondContact CD1-O 3.28Å; V47-Y104 PolarHBondContact N-O 2.74Å; V47-Y104 PolarHBondContact O-N 3.34Å; L49-Y104 HydrophobicContact CD1-CD2 4.21Å; L49-Y104 HydrophobicContact CD1-CE2 3.69Å; L49-Y104 HydrophobicContact CG-CD2 4.23Å; L49-Y104 HydrophobicContact CG-CE2 4.06Å; L102-Y104 HydrophobicContact CB-CE2 3.8Å; Y104-V119 HydrophobicContact CD2-CG1 3.64Å; Y104-V119 HydrophobicContact CE2-CG1 4.17Å; Y104-V119 HydrophobicContact CG-CB 4.32Å; Y104-V119 HydrophobicContact CG-CG1 3.88Å; Y104-A120 HydrophobicContact CE1-CB 4.36Å; Y104-A120 HydrophobicContact CE2-CB 4.25Å |
| 105 | S | 94.2 | Very high | 85.2 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139.5 | 172.1 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | T45 | T45-S105 WeakPolarHBondContact O-CA 3.42Å |
| 106 | L | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.6 | 163.9 | -56.5 | 173.5 | 0 | 0 | 0 | 107.8 | I11 E44 T45 V47 F115 D116 G117 V119 V127 | I11-L106 HydrophobicContact CD1-CD1 3.58Å; E44-L106 CarbonylContact C-O 3.54Å; E44-L106 VanDerWaalsContact CA-O 3.28Å; E44-L106 WeakPolarHBondContact CA-O 3.36Å; T45-L106 HydrophobicContact CG2-CB 3.76Å; T45-L106 HydrophobicContact CG2-CD1 4.31Å; T45-L106 HydrophobicContact CG2-CG 4.44Å; T45-L106 PolarHBondContact N-O 3.27Å; T45-L106 PolarHBondContact O-N 2.96Å; V47-L106 HydrophobicContact CG2-CD1 4.01Å; V47-L106 HydrophobicContact CG2-CG 4.37Å; L106-F115 HydrophobicContact CB-CB 3.96Å; L106-F115 HydrophobicContact CD1-CB 4.49Å; L106-D116 CarbonylContact C-O 3.5Å; L106-D116 WeakPolarHBondContact CA-O 3.21Å; L106-D116 WeakPolarHBondContact CB-O 3.41Å; L106-G117 VanDerWaalsContact CD2-CA 3.47Å; L106-V119 HydrophobicContact CD2-CG2 3.93Å; L106-V119 HydrophobicContact CG-CG2 4.42Å; L106-V127 HydrophobicContact CD1-CG2 4.28Å |
| 107 | T | 95 | Very high | 88.1 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.2 | -175.3 | -52.1 | 0 | 0 | 0 | 0 | 109.8 | N109 F115 D116 | T107-N109 PolarHBondContact O-N 2.85Å; T107-F115 WeakPolarHBondContact O-CA 3.16Å; T107-D116 PolarHBondContact N-O 3.2Å; T107-D116 PolarHBondContact O-N 3.32Å |
| 108 | C | 94.2 | Very high | 89.7 | Confident | 16 Ų | 16 | 64 Ų | 64 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 123.7 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 112 | C8 C43 F115 | C8-C108 HydrophobicContact CB-CB 3.7Å; C8-C108 WeakPolarHBondContact CB-SG 3.41Å; C8-C108 WeakPolarHBondContact SG-CA 3.41Å; C8-C108 WeakPolarHBondContact SG-CB 3.26Å; C8-C108 CovalentContact SG-SG 2Å; C8-C108 PolarHBondContact SG-SG 2.84Å; C43-C108 HydrophobicContact CB-CB 4.14Å; C43-C108 VanDerWaalsContact O-CB 3.23Å; C43-C108 WeakPolarHBondContact O-CB 3.47Å; C43-C108 PolarHBondContact O-N 2.71Å; C43-C108 WeakPolarHBondContact SG-CB 3.37Å; C43-C108 PolarHBondContact SG-SG 2.81Å; C108-F115 HydrophobicContact CB-CD1 4.39Å; C108-F115 HydrophobicContact CB-CE1 4.07Å |
| 109 | N | 93.2 | Very high | 90.8 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.1 | 167.9 | -175.6 | -26.2 | 0 | 0 | 0 | 109.6 | T107 N111 T112 L113 R114 D116 | T107-N109 PolarHBondContact O-N 2.85Å; N109-N111 PolarHBondContact O-N 2.96Å; N109-N111 WeakPolarHBondContact OD1-CB 3.36Å; N109-N111 PolarHBondContact OD1-N 3.14Å; N109-N111 PolarHBondContact OD1-ND2 3.11Å; N109-T112 PolarHBondContact O-N 2.81Å; N109-L113 VanDerWaalsContact O-CA 3.31Å; N109-L113 WeakPolarHBondContact O-CA 3.26Å; N109-L113 PolarHBondContact O-N 2.94Å; N109-R114 WeakPolarHBondContact CB-O 3.25Å; N109-R114 PolarHBondContact N-O 2.84Å; N109-D116 WeakPolarHBondContact CB-OD2 3.41Å; N109-D116 PolarHBondContact ND2-OD2 3.18Å |
| 110 | L | 90.4 | Very high | 91.6 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 63% | 0.634 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.8 | -176.6 | -61.3 | -179.3 | 0 | 0 | 0 | 114.2 | P7 L113 | P7-L110 HydrophobicContact CG-CD2 3.63Å; L110-L113 WeakPolarHBondContact O-CD2 3.45Å |
| 111 | N | 91.4 | Very high | 92 | Very high | 153 Ų | 153 | 56.4 Ų | 56.4 | 82% | 0.818 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -36.5 | 175.3 | -58.9 | -57.9 | 0 | 0 | 0 | 111.7 | N109 | N109-N111 PolarHBondContact O-N 2.96Å; N109-N111 WeakPolarHBondContact OD1-CB 3.36Å; N109-N111 PolarHBondContact OD1-N 3.14Å; N109-N111 PolarHBondContact OD1-ND2 3.11Å |
| 112 | T | 92.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -11.7 | -175.7 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | N109 R114 N126 | N109-T112 PolarHBondContact O-N 2.81Å; T112-R114 PolarHBondContact O-N 3.42Å; T112-N126 WeakPolarHBondContact CB-OD1 3.34Å; T112-N126 VanDerWaalsContact CG2-OD1 3.26Å; T112-N126 WeakPolarHBondContact CG2-OD1 3.43Å; T112-N126 PolarHBondContact OG1-OD1 3.07Å |
| 113 | L | 92.9 | Very high | 92.6 | Very high | 78 Ų | 78 | 54.7 Ų | 54.7 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 34.1 | -174.7 | -49 | -176.8 | 0 | 0 | 0 | 112.2 | P7 C8 T9 N109 L110 | P7-L113 HydrophobicContact CB-CD2 3.99Å; P7-L113 HydrophobicContact CG-CD2 3.98Å; C8-L113 WeakPolarHBondContact CA-O 3.47Å; T9-L113 PolarHBondContact N-O 2.76Å; N109-L113 VanDerWaalsContact O-CA 3.31Å; N109-L113 WeakPolarHBondContact O-CA 3.26Å; N109-L113 PolarHBondContact O-N 2.94Å; L110-L113 WeakPolarHBondContact O-CD2 3.45Å |
| 114 | R | 94.3 | Very high | 92.8 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 166.9 | 178.2 | -66.9 | -66 | 178.9 | 169.1 | -1.5 | 111.5 | C8 T77 N109 T112 N126 | C8-R114 VanDerWaalsContact SG-C 3.58Å; C8-R114 PolarHBondContact SG-N 2.94Å; C8-R114 PolarHBondContact SG-O 3.46Å; T77-R114 HydrophobicContact CG2-CG 3.7Å; N109-R114 WeakPolarHBondContact CB-O 3.25Å; N109-R114 PolarHBondContact N-O 2.84Å; T112-R114 PolarHBondContact O-N 3.42Å; R114-N126 HydrophobicContact CB-CB 4.41Å |
| 115 | F | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.1 | -178.5 | -70.4 | -78.3 | 0 | 0 | 0 | 111.5 | C8 T9 I11 F38 T45 L106 T107 C108 V127 | C8-F115 HydrophobicContact CB-CD2 4.15Å; C8-F115 HydrophobicContact CB-CE1 4.15Å; C8-F115 HydrophobicContact CB-CE2 3.63Å; C8-F115 HydrophobicContact CB-CZ 3.62Å; T9-F115 WeakPolarHBondContact O-CD2 3.3Å; T9-F115 VanDerWaalsContact O-CE2 3.24Å; T9-F115 WeakPolarHBondContact O-CE2 3.46Å; I11-F115 HydrophobicContact CD1-CB 3.82Å; I11-F115 HydrophobicContact CD1-CD2 4.2Å; I11-F115 HydrophobicContact CD1-CG 4.21Å; I11-F115 HydrophobicContact CG1-CB 4.2Å; I11-F115 HydrophobicContact CG1-CD2 3.74Å; I11-F115 HydrophobicContact CG1-CG 4.26Å; F38-F115 HydrophobicContact CD2-CE2 4.29Å; F38-F115 AromaticContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CD2-CZ 3.66Å; F38-F115 HydrophobicContact CE2-CE2 4.38Å; F38-F115 AromaticContact CE2-CZ 3.62Å; F38-F115 HydrophobicContact CE2-CZ 3.62Å; T45-F115 HydrophobicContact CG2-CB 3.93Å; T45-F115 HydrophobicContact CG2-CD1 3.48Å; T45-F115 VanDerWaalsContact CG2-CD1 3.48Å; T45-F115 HydrophobicContact CG2-CD2 3.89Å; T45-F115 HydrophobicContact CG2-CE1 3.91Å; T45-F115 HydrophobicContact CG2-CE2 4.25Å; T45-F115 HydrophobicContact CG2-CG 3.47Å; T45-F115 VanDerWaalsContact CG2-CG 3.47Å; T45-F115 HydrophobicContact CG2-CZ 4.27Å; L106-F115 HydrophobicContact CB-CB 3.96Å; L106-F115 HydrophobicContact CD1-CB 4.49Å; T107-F115 WeakPolarHBondContact O-CA 3.16Å; C108-F115 HydrophobicContact CB-CD1 4.39Å; C108-F115 HydrophobicContact CB-CE1 4.07Å; F115-V127 WeakPolarHBondContact O-CG2 3.23Å; F115-V127 PolarHBondContact O-N 3.34Å; F115-V127 VanDerWaalsContact O-N 3.09Å |
| 116 | D | 95.8 | Very high | 93 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 157.4 | 177.4 | -61.6 | -12.4 | 0 | 0 | 0 | 109.6 | L106 T107 N109 M124 T125 N126 | L106-D116 CarbonylContact C-O 3.5Å; L106-D116 WeakPolarHBondContact CA-O 3.21Å; L106-D116 WeakPolarHBondContact CB-O 3.41Å; T107-D116 PolarHBondContact N-O 3.2Å; T107-D116 PolarHBondContact O-N 3.32Å; N109-D116 WeakPolarHBondContact CB-OD2 3.41Å; N109-D116 PolarHBondContact ND2-OD2 3.18Å; D116-M124 VanDerWaalsContact CA-O 3.32Å; D116-M124 WeakPolarHBondContact CA-O 3.44Å; D116-T125 VanDerWaalsContact OD1-CA 3.25Å; D116-T125 WeakPolarHBondContact OD1-CA 2.93Å; D116-N126 PolarHBondContact OD1-N 3.25Å |
| 117 | G | 94.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | -155 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L106 A123 M124 | L106-G117 VanDerWaalsContact CD2-CA 3.47Å; G117-A123 WeakPolarHBondContact O-CA 2.96Å; G117-M124 PolarHBondContact N-O 3.38Å; G117-M124 PolarHBondContact O-N 2.9Å |
| 118 | T | 94.1 | Very high | 92.9 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128 | -179.1 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | V122 | T118-V122 VanDerWaalsContact CA-O 3.31Å; T118-V122 WeakPolarHBondContact CA-O 3.43Å |
| 119 | V | 91.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.4 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | V47 L49 I72 Y104 L106 G121 V122 M124 | V47-V119 HydrophobicContact CB-CG2 4.48Å; V47-V119 HydrophobicContact CG1-CG1 4.28Å; V47-V119 HydrophobicContact CG2-CG2 4.48Å; L49-V119 HydrophobicContact CD1-CG1 4.07Å; L49-V119 HydrophobicContact CD2-CG1 4.33Å; L49-V119 HydrophobicContact CG-CG1 4.45Å; I72-V119 HydrophobicContact CD1-CB 3.87Å; I72-V119 HydrophobicContact CD1-CG1 3.65Å; Y104-V119 HydrophobicContact CD2-CG1 3.64Å; Y104-V119 HydrophobicContact CE2-CG1 4.17Å; Y104-V119 HydrophobicContact CG-CB 4.32Å; Y104-V119 HydrophobicContact CG-CG1 3.88Å; L106-V119 HydrophobicContact CD2-CG2 3.93Å; L106-V119 HydrophobicContact CG-CG2 4.42Å; V119-G121 PolarHBondContact O-N 3.05Å; V119-G121 VanDerWaalsContact O-N 3.14Å; V119-V122 PolarHBondContact N-O 3.29Å; V119-V122 WeakPolarHBondContact O-CB 3.42Å; V119-V122 PolarHBondContact O-N 2.91Å; V119-M124 HydrophobicContact CB-CE 3.65Å; V119-M124 HydrophobicContact CB-SD 4.19Å; V119-M124 HydrophobicContact CG1-CE 4.41Å; V119-M124 HydrophobicContact CG2-CE 3.86Å; V119-M124 HydrophobicContact CG2-SD 3.72Å |
| 120 | A | 88.1 | Confident | 92.8 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 42.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | L49 I86 Y104 V122 | L49-A120 HydrophobicContact CD1-CB 4.33Å; I86-A120 HydrophobicContact CB-CB 3.91Å; I86-A120 HydrophobicContact CD1-CB 3.66Å; I86-A120 HydrophobicContact CG1-CB 4.41Å; I86-A120 HydrophobicContact CG2-CB 4Å; Y104-A120 HydrophobicContact CE1-CB 4.36Å; Y104-A120 HydrophobicContact CE2-CB 4.25Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 2.84Å |
| 121 | G | 88.3 | Confident | 92.9 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 73% | 0.732 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -9.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V119 | V119-G121 PolarHBondContact O-N 3.05Å; V119-G121 VanDerWaalsContact O-N 3.14Å |
| 122 | V | 90.6 | Very high | 92.8 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114.7 | 177.3 | -179 | 0 | 0 | 0 | 0 | 109.6 | I72 Y74 I86 T118 V119 A120 M124 | I72-V122 HydrophobicContact CD1-CB 4.16Å; I72-V122 HydrophobicContact CD1-CG2 4.14Å; I72-V122 HydrophobicContact CG1-CG2 4.44Å; Y74-V122 HydrophobicContact CE1-CG1 4.42Å; I86-V122 HydrophobicContact CG2-CG2 3.5Å; T118-V122 VanDerWaalsContact CA-O 3.31Å; T118-V122 WeakPolarHBondContact CA-O 3.43Å; V119-V122 PolarHBondContact N-O 3.29Å; V119-V122 WeakPolarHBondContact O-CB 3.42Å; V119-V122 PolarHBondContact O-N 2.91Å; A120-V122 VanDerWaalsContact C-N 3.33Å; A120-V122 PolarHBondContact O-N 2.84Å; V122-M124 HydrophobicContact CB-CE 4.26Å; V122-M124 HydrophobicContact CG1-CE 4.08Å; V122-M124 HydrophobicContact CG1-CG 4.36Å |
| 123 | A | 93.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 28.7 Ų | 28.7 | 55% | 0.554 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G117 | G117-A123 WeakPolarHBondContact O-CA 2.96Å |
| 124 | M | 93.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.2 | -178.7 | -57.6 | -177.4 | 179.1 | 0 | 0 | 109.9 | I72 Y74 D116 G117 V119 V122 V127 F130 | I72-M124 HydrophobicContact CD1-CE 3.4Å; I72-M124 VanDerWaalsContact CD1-CE 3.4Å; I72-M124 HydrophobicContact CG1-CE 4.07Å; Y74-M124 HydrophobicContact CD1-CB 4.48Å; Y74-M124 HydrophobicContact CD1-CE 3.97Å; Y74-M124 HydrophobicContact CD1-CG 3.78Å; Y74-M124 HydrophobicContact CD1-SD 4Å; Y74-M124 HydrophobicContact CD2-CB 4.48Å; Y74-M124 HydrophobicContact CE1-CB 4.33Å; Y74-M124 HydrophobicContact CE1-CG 3.77Å; Y74-M124 HydrophobicContact CE2-CB 4.32Å; Y74-M124 HydrophobicContact CG-CG 4.2Å; Y74-M124 HydrophobicContact CG-SD 4.16Å; D116-M124 VanDerWaalsContact CA-O 3.32Å; D116-M124 WeakPolarHBondContact CA-O 3.44Å; G117-M124 PolarHBondContact N-O 3.38Å; G117-M124 PolarHBondContact O-N 2.9Å; V119-M124 HydrophobicContact CB-CE 3.65Å; V119-M124 HydrophobicContact CB-SD 4.19Å; V119-M124 HydrophobicContact CG1-CE 4.41Å; V119-M124 HydrophobicContact CG2-CE 3.86Å; V119-M124 HydrophobicContact CG2-SD 3.72Å; V122-M124 HydrophobicContact CB-CE 4.26Å; V122-M124 HydrophobicContact CG1-CE 4.08Å; V122-M124 HydrophobicContact CG1-CG 4.36Å; M124-V127 HydrophobicContact CB-CG2 3.58Å; M124-V127 HydrophobicContact SD-CG2 4.44Å; M124-F130 HydrophobicContact CE-CD2 4.25Å; M124-F130 HydrophobicContact CE-CE2 3.81Å; M124-F130 HydrophobicContact SD-CD2 4.24Å; M124-F130 HydrophobicContact SD-CE2 4.33Å |
| 125 | T | 94.6 | Very high | 91.7 | Very high | 64 Ų | 64 | 30.1 Ų | 30.1 | 39% | 0.393 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.2 | 179.4 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | D116 V127 | D116-T125 VanDerWaalsContact OD1-CA 3.25Å; D116-T125 WeakPolarHBondContact OD1-CA 2.93Å; T125-V127 VanDerWaalsContact C-N 3.3Å; T125-V127 PolarHBondContact O-N 2.97Å |
| 126 | N | 94.4 | Very high | 91.6 | Very high | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.214 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 41.5 | 177.6 | -63.8 | -46.4 | 0 | 0 | 0 | 113.5 | D76 T77 T112 R114 D116 V128 | D76-N126 CarbonylContact C-O 3.56Å; D76-N126 VanDerWaalsContact CA-O 3.28Å; D76-N126 WeakPolarHBondContact CA-O 3.09Å; T77-N126 HydrophobicContact CG2-CB 4.04Å; T77-N126 PolarHBondContact N-O 3.43Å; T77-N126 VanDerWaalsContact N-O 3.08Å; T77-N126 WeakPolarHBondContact OG1-CB 3.41Å; T112-N126 WeakPolarHBondContact CB-OD1 3.34Å; T112-N126 VanDerWaalsContact CG2-OD1 3.26Å; T112-N126 WeakPolarHBondContact CG2-OD1 3.43Å; T112-N126 PolarHBondContact OG1-OD1 3.07Å; R114-N126 HydrophobicContact CB-CB 4.41Å; D116-N126 PolarHBondContact OD1-N 3.25Å; N126-V128 PolarHBondContact O-N 2.75Å |
| 127 | V | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130.2 | -171.6 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | I11 Y74 L106 F115 M124 T125 | I11-V127 HydrophobicContact CD1-CB 3.9Å; I11-V127 HydrophobicContact CD1-CG1 3.69Å; I11-V127 HydrophobicContact CG1-CB 4.39Å; I11-V127 HydrophobicContact CG1-CG1 4.16Å; I11-V127 HydrophobicContact CG2-CG1 3.95Å; Y74-V127 HydrophobicContact CD2-CG2 3.99Å; L106-V127 HydrophobicContact CD1-CG2 4.28Å; F115-V127 WeakPolarHBondContact O-CG2 3.23Å; F115-V127 PolarHBondContact O-N 3.34Å; F115-V127 VanDerWaalsContact O-N 3.09Å; M124-V127 HydrophobicContact CB-CG2 3.58Å; M124-V127 HydrophobicContact SD-CG2 4.44Å; T125-V127 VanDerWaalsContact C-N 3.3Å; T125-V127 PolarHBondContact O-N 2.97Å |
| 128 | V | 94.2 | Very high | 91.2 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 22% | 0.218 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -45.4 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | T12 I75 T77 N126 | T12-V128 PolarHBondContact N-O 3.48Å; T12-V128 PolarHBondContact OG1-O 2.95Å; I75-V128 WeakPolarHBondContact O-CB 3.32Å; I75-V128 PolarHBondContact O-N 3.38Å; T77-V128 HydrophobicContact CG2-CG2 3.78Å; N126-V128 PolarHBondContact O-N 2.75Å |
| 129 | S | 93.3 | Very high | 91 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 148.6 | -179.9 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | T12 Y74 I75 | T12-S129 CarbonylContact O-C 3.52Å; T12-S129 WeakPolarHBondContact O-CA 3.47Å; T12-S129 PolarHBondContact OG1-OG 3.28Å; Y74-S129 CarbonylContact C-O 3.56Å; Y74-S129 WeakPolarHBondContact CA-O 3.3Å; Y74-S129 WeakPolarHBondContact CB-O 3.26Å; I75-S129 PolarHBondContact N-O 2.81Å; I75-S129 PolarHBondContact O-N 3.36Å |
| 130 | F | 93.4 | Very high | 91 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.1 | -179.3 | 177.7 | -91.3 | 0 | 0 | 0 | 111.4 | I11 T12 V13 I14 S32 P36 V47 L49 I72 G73 M124 | I11-F130 HydrophobicContact CG2-CB 3.9Å; T12-F130 PolarHBondContact O-N 3.24Å; V13-F130 WeakPolarHBondContact CA-O 3.12Å; I14-F130 PolarHBondContact N-O 3.44Å; S32-F130 PolarHBondContact OG-O 2.78Å; P36-F130 HydrophobicContact CG-CB 4.25Å; V47-F130 HydrophobicContact CG1-CD1 3.67Å; V47-F130 HydrophobicContact CG1-CD2 4.41Å; V47-F130 HydrophobicContact CG1-CE1 3.25Å; V47-F130 HydrophobicContact CG1-CE2 4.06Å; V47-F130 HydrophobicContact CG1-CG 4.25Å; V47-F130 HydrophobicContact CG1-CZ 3.49Å; V47-F130 VanDerWaalsContact CG1-CZ 3.49Å; L49-F130 HydrophobicContact CD2-CE1 3.81Å; L49-F130 HydrophobicContact CD2-CZ 3.55Å; I72-F130 HydrophobicContact CB-CE2 3.99Å; I72-F130 HydrophobicContact CB-CZ 3.94Å; I72-F130 HydrophobicContact CD1-CE2 4.31Å; I72-F130 HydrophobicContact CG2-CZ 4.01Å; G73-F130 WeakPolarHBondContact O-CD2 3.39Å; M124-F130 HydrophobicContact CE-CD2 4.25Å; M124-F130 HydrophobicContact CE-CE2 3.81Å; M124-F130 HydrophobicContact SD-CD2 4.24Å; M124-F130 HydrophobicContact SD-CE2 4.33Å |
| 131 | A | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I14 P30 S32 I72 G73 Y133 | I14-A131 HydrophobicContact CB-CB 3.71Å; I14-A131 HydrophobicContact CD1-CB 4.29Å; I14-A131 HydrophobicContact CG1-CB 4.29Å; P30-A131 HydrophobicContact CB-CB 4.14Å; S32-A131 VanDerWaalsContact OG-CA 3.28Å; S32-A131 WeakPolarHBondContact OG-CA 3.39Å; S32-A131 WeakPolarHBondContact OG-CB 3.05Å; I72-A131 CarbonylContact C-O 3.56Å; I72-A131 WeakPolarHBondContact CA-O 3.41Å; G73-A131 PolarHBondContact N-O 3.05Å; G73-A131 PolarHBondContact O-N 3.47Å; G73-A131 VanDerWaalsContact O-O 3.12Å; A131-Y133 HydrophobicContact CB-CE2 4.26Å |
| 132 | Q | 89.7 | Confident | 91.4 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 160.2 | 156.3 | 163.6 | -179.6 | 13.7 | 0 | 0 | 108 | F31 L49 K50 F59 I72 | F31-Q132 CarbonylContact C-O 3.52Å; F31-Q132 VanDerWaalsContact C-O 3.28Å; F31-Q132 WeakPolarHBondContact CA-O 3.43Å; F31-Q132 PolarHBondContact N-O 3.34Å; F31-Q132 CarbonylContact O-C 3.55Å; F31-Q132 VanDerWaalsContact O-C 3.29Å; F31-Q132 WeakPolarHBondContact O-CA 3.27Å; F31-Q132 WeakPolarHBondContact O-CB 3.34Å; F31-Q132 PolarHBondContact O-N 2.69Å; L49-Q132 HydrophobicContact CD2-CB 4.3Å; K50-Q132 PolarHBondContact O-NE2 3.45Å; K50-Q132 PolarHBondContact O-OE1 3.07Å; F59-Q132 VanDerWaalsContact CE1-NE2 3.28Å; I72-Q132 HydrophobicContact CG2-CB 4.44Å |
| 133 | Y | 86.2 | Confident | 91.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.2 | 175.3 | -68.6 | -104.4 | 0 | 0 | 0 | 110.1 | N19 C21 N29 P30 S71 Q83 A131 | N19-Y133 PolarHBondContact OD1-OH 2.78Å; N19-Y133 VanDerWaalsContact OD1-OH 3.1Å; C21-Y133 PolarHBondContact SG-OH 3.43Å; C21-Y133 VanDerWaalsContact SG-OH 3.41Å; N29-Y133 CarbonylContact O-C 3.29Å; N29-Y133 VanDerWaalsContact O-CA 3.25Å; N29-Y133 WeakPolarHBondContact O-CA 3.27Å; P30-Y133 HydrophobicContact CB-CD1 4.27Å; P30-Y133 HydrophobicContact CB-CE1 3.85Å; P30-Y133 HydrophobicContact CG-CE1 4.5Å; S71-Y133 PolarHBondContact O-N 2.86Å; Q83-Y133 HydrophobicContact CG-CD2 4.28Å; Q83-Y133 HydrophobicContact CG-CE2 4.26Å; A131-Y133 HydrophobicContact CB-CE2 4.26Å |
| 134 | Y | 79 | Confident | 91.2 | Very high | 131 Ų | 131 | 26.6 Ų | 26.6 | 51% | 0.514 | 13% | 0.134 | S | C | . | . | trans | -136.8 | 0 | 175.2 | 91 | -77.6 | 0 | 0 | 0 | 112.7 | H27 N29 F31 F58 | H27-Y134 WeakPolarHBondContact ND1-CA 3.43Å; H27-Y134 PolarHBondContact ND1-OXT 3.44Å; N29-Y134 HydrophobicContact CB-CD1 3.95Å; N29-Y134 HydrophobicContact CB-CE1 3.68Å; N29-Y134 WeakPolarHBondContact CB-O 3.31Å; N29-Y134 PolarHBondContact N-O 3.33Å; N29-Y134 PolarHBondContact O-N 3.03Å; F31-Y134 HydrophobicContact CB-CD1 3.48Å; F31-Y134 VanDerWaalsContact CB-CD1 3.48Å; F31-Y134 HydrophobicContact CB-CE1 4.16Å; F31-Y134 HydrophobicContact CB-CG 4.34Å; F31-Y134 HydrophobicContact CG-CD1 4.19Å; F58-Y134 HydrophobicContact CD1-CG 4.26Å |
Retrieved 134 of 134 residues in 95.1 ms
(Link to these results)