| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.8 | Very low | 67.8 | Low | 220 Ų | 220 | 91.1 Ų | 91.1 | 100% | 1.084 | 48% | 0.484 | S | S | * | . | 0 | 123.8 | 0 | -72.1 | -175.6 | -106.5 | 0 | 0 | 107.3 | F3 | M1-F3 PolarHBondContact O-N 3.36Š| |||
| 2 | A | 44.8 | Very low | 69.8 | Low | 60 Ų | 60 | 92.3 Ų | 92.3 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | trans | -69.5 | 120.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | N4 V149 | A2-N4 PolarHBondContact O-N 3.06Å; A2-N4 VanDerWaalsContact O-N 3.07Å; A2-V149 HydrophobicContact CB-CG1 4.16Å | ||
| 3 | F | 51.7 | Low | 71.8 | Confident | 106 Ų | 106 | 89.1 Ų | 89.1 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | trans | -76.2 | 95.6 | 176.8 | -67.7 | -82.8 | 0 | 0 | 0 | 108.4 | M1 Q5 H20 | M1-F3 PolarHBondContact O-N 3.36Å; F3-Q5 PolarHBondContact O-N 3.41Å; F3-Q5 VanDerWaalsContact O-N 3.14Å; F3-H20 HydrophobicContact CB-CB 4.44Å | ||
| 4 | N | 59.1 | Low | 73.6 | Confident | 158 Ų | 158 | 90.7 Ų | 90.7 | 85% | 0.845 | 50% | 0.499 | S | S | * | . | trans | -78.4 | 96.9 | 175.2 | -153.4 | 12.2 | 0 | 0 | 0 | 108.3 | A2 | A2-N4 PolarHBondContact O-N 3.06Å; A2-N4 VanDerWaalsContact O-N 3.07Å | ||
| 5 | Q | 75.3 | Confident | 75.2 | Confident | 10 Ų | 10 | 86.1 Ų | 86.1 | 5% | 0.047 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 125.1 | -179.1 | 178.2 | 173.9 | -5.8 | 0 | 0 | 110.2 | F3 S18 H20 F145 | F3-Q5 PolarHBondContact O-N 3.41Å; F3-Q5 VanDerWaalsContact O-N 3.14Å; Q5-S18 PolarHBondContact NE2-O 2.99Å; Q5-H20 HydrophobicContact CB-CB 4.24Å; Q5-H20 HydrophobicContact CG-CB 4.4Å; Q5-F145 HydrophobicContact CB-CB 4.36Å; Q5-F145 HydrophobicContact CB-CD2 4.05Å; Q5-F145 HydrophobicContact CB-CG 4.38Å; Q5-F145 HydrophobicContact CG-CD2 3.65Å; Q5-F145 HydrophobicContact CG-CE2 4Å; Q5-F145 HydrophobicContact CG-CG 4.37Å |
| 6 | S | 74.4 | Confident | 76.6 | Confident | 99 Ų | 99 | 85.8 Ų | 85.8 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 138.4 | 171.6 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 7 | P | 80.9 | Confident | 77.5 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 27% | 0.266 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 153.2 | 175.8 | -22.8 | 34.5 | 0 | 0 | 0 | 112.5 | Y9 I143 | P7-Y9 HydrophobicContact CB-CD2 4.45Å; P7-Y9 HydrophobicContact CB-CE1 4.29Å; P7-Y9 HydrophobicContact CB-CE2 3.89Å; P7-Y9 HydrophobicContact CG-CE2 4.25Å; P7-I143 CarbonylContact C-O 3.45Å; P7-I143 VanDerWaalsContact CA-O 3.24Å; P7-I143 WeakPolarHBondContact CA-O 3.39Å; P7-I143 WeakPolarHBondContact CB-O 3.27Å |
| 8 | F | 75.4 | Confident | 78.3 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 23% | 0.232 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.5 | 163 | -58.1 | -74.1 | 0 | 0 | 0 | 108.6 | F15 S142 I143 F145 | F8-F15 HydrophobicContact CB-CE2 4.49Å; F8-F15 HydrophobicContact CB-CZ 4.01Å; F8-F15 HydrophobicContact CD1-CE2 4.13Å; F8-F15 AromaticContact CD1-CZ 3.65Å; F8-F15 HydrophobicContact CD1-CZ 3.65Å; F8-F15 AromaticContact CD2-CE1 3.99Å; F8-F15 HydrophobicContact CD2-CE1 3.99Å; F8-F15 AromaticContact CD2-CZ 3.6Å; F8-F15 HydrophobicContact CD2-CZ 3.6Å; F8-F15 AromaticContact CE1-CZ 3.95Å; F8-F15 HydrophobicContact CE1-CZ 3.95Å; F8-F15 HydrophobicContact CE2-CE1 4.31Å; F8-F15 AromaticContact CE2-CZ 3.9Å; F8-F15 HydrophobicContact CE2-CZ 3.9Å; F8-F15 HydrophobicContact CG-CE1 4.22Å; F8-F15 HydrophobicContact CG-CE2 4.21Å; F8-F15 AromaticContact CG-CZ 3.46Å; F8-F15 HydrophobicContact CG-CZ 3.46Å; F8-F15 VanDerWaalsContact CG-CZ 3.46Å; F8-F15 HydrophobicContact CZ-CZ 4.07Å; F8-S142 CarbonylContact O-C 3.6Å; F8-S142 WeakPolarHBondContact O-CA 3.44Å; F8-I143 HydrophobicContact CB-CB 4.29Å; F8-I143 HydrophobicContact CD2-CB 4.2Å; F8-I143 HydrophobicContact CD2-CG2 4.35Å; F8-I143 PolarHBondContact N-O 2.97Å; F8-I143 PolarHBondContact O-N 2.78Å; F8-F145 AromaticContact CD2-CE2 3.79Å; F8-F145 HydrophobicContact CD2-CE2 3.79Å; F8-F145 HydrophobicContact CD2-CZ 4.08Å; F8-F145 AromaticContact CE2-CE2 3.62Å; F8-F145 HydrophobicContact CE2-CE2 3.62Å; F8-F145 AromaticContact CE2-CZ 3.75Å; F8-F145 HydrophobicContact CE2-CZ 3.75Å |
| 9 | Y | 80.6 | Confident | 79.1 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 51% | 0.506 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.9 | 178.1 | -67.2 | -75 | 0 | 0 | 0 | 110.7 | P7 P11 | P7-Y9 HydrophobicContact CB-CD2 4.45Å; P7-Y9 HydrophobicContact CB-CE1 4.29Å; P7-Y9 HydrophobicContact CB-CE2 3.89Å; P7-Y9 HydrophobicContact CG-CE2 4.25Å; Y9-P11 VanDerWaalsContact C-N 3.3Å |
| 10 | N | 78.4 | Confident | 79.4 | Confident | 115 Ų | 115 | 76.7 Ų | 76.7 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 44.1 | 47.6 | -179.7 | -53.5 | -63.4 | 0 | 0 | 0 | 113.9 | I140 S141 | N10-I140 WeakPolarHBondContact CA-O 3.42Å; N10-S141 PolarHBondContact N-O 3.37Å |
| 11 | P | 88.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 7% | 0.071 | 42% | 0.423 | C | S | . | . | trans | -63.5 | 139.1 | -178.5 | 26.5 | -33.5 | 0 | 0 | 0 | 111 | Y9 F15 I140 I143 | Y9-P11 VanDerWaalsContact C-N 3.3Å; P11-F15 HydrophobicContact CB-CB 4.2Å; P11-F15 HydrophobicContact CB-CD1 4.45Å; P11-F15 HydrophobicContact CB-CD2 3.27Å; P11-F15 HydrophobicContact CB-CE2 3.66Å; P11-F15 HydrophobicContact CB-CG 3.71Å; P11-F15 HydrophobicContact CB-CZ 4.4Å; P11-F15 HydrophobicContact CG-CD2 4.25Å; P11-F15 HydrophobicContact CG-CG 4.28Å; P11-I140 WeakPolarHBondContact CD-O 3.33Å; P11-I140 HydrophobicContact CG-CB 3.98Å; P11-I140 HydrophobicContact CG-CG2 3.68Å; P11-I143 HydrophobicContact CG-CD1 4.31Å | ||
| 12 | P | 91 | Very high | 82.1 | Confident | 106 Ų | 106 | 65 Ų | 65 | 69% | 0.688 | 38% | 0.378 | S | S | * | . | trans | -65.6 | 148.4 | 171.7 | 29.5 | -34.6 | 0 | 0 | 0 | 110.3 | P14 F15 | P12-P14 CarbonylContact O-C 3.53Å; P12-F15 WeakPolarHBondContact O-CB 3.19Å; P12-F15 PolarHBondContact O-N 3.18Å | ||
| 13 | I | 96 | Very high | 84.4 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -109.9 | 128 | -179.9 | -56.4 | -61.6 | 0 | 0 | 0 | 109.4 | F15 V134 G136 V138 I140 | I13-F15 HydrophobicContact CD1-CB 3.86Å; I13-V134 HydrophobicContact CD1-CB 3.94Å; I13-V134 HydrophobicContact CD1-CG1 3.92Å; I13-G136 WeakPolarHBondContact CG2-O 3.42Å; I13-V138 HydrophobicContact CG2-CG1 4.45Å; I13-I140 HydrophobicContact CD1-CB 4.22Å; I13-I140 HydrophobicContact CD1-CG1 3.64Å; I13-I140 HydrophobicContact CG1-CG1 4.28Å |
| 14 | P | 97.1 | Very high | 86.2 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -72 | 141.9 | 7.6 | 31 | -35.9 | 0 | 0 | 0 | 113.7 | P12 V134 | P12-P14 CarbonylContact O-C 3.53Å; P14-V134 CarbonylContact C-O 3.38Å; P14-V134 WeakPolarHBondContact CA-O 3.18Å |
| 15 | F | 97.2 | Very high | 87.6 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.9 | 178.9 | 177.3 | -106.9 | 0 | 0 | 0 | 111 | F8 P11 P12 I13 I132 T133 V134 I143 | F8-F15 HydrophobicContact CB-CE2 4.49Å; F8-F15 HydrophobicContact CB-CZ 4.01Å; F8-F15 HydrophobicContact CD1-CE2 4.13Å; F8-F15 AromaticContact CD1-CZ 3.65Å; F8-F15 HydrophobicContact CD1-CZ 3.65Å; F8-F15 AromaticContact CD2-CE1 3.99Å; F8-F15 HydrophobicContact CD2-CE1 3.99Å; F8-F15 AromaticContact CD2-CZ 3.6Å; F8-F15 HydrophobicContact CD2-CZ 3.6Å; F8-F15 AromaticContact CE1-CZ 3.95Å; F8-F15 HydrophobicContact CE1-CZ 3.95Å; F8-F15 HydrophobicContact CE2-CE1 4.31Å; F8-F15 AromaticContact CE2-CZ 3.9Å; F8-F15 HydrophobicContact CE2-CZ 3.9Å; F8-F15 HydrophobicContact CG-CE1 4.22Å; F8-F15 HydrophobicContact CG-CE2 4.21Å; F8-F15 AromaticContact CG-CZ 3.46Å; F8-F15 HydrophobicContact CG-CZ 3.46Å; F8-F15 VanDerWaalsContact CG-CZ 3.46Å; F8-F15 HydrophobicContact CZ-CZ 4.07Å; P11-F15 HydrophobicContact CB-CB 4.2Å; P11-F15 HydrophobicContact CB-CD1 4.45Å; P11-F15 HydrophobicContact CB-CD2 3.27Å; P11-F15 HydrophobicContact CB-CE2 3.66Å; P11-F15 HydrophobicContact CB-CG 3.71Å; P11-F15 HydrophobicContact CB-CZ 4.4Å; P11-F15 HydrophobicContact CG-CD2 4.25Å; P11-F15 HydrophobicContact CG-CG 4.28Å; P12-F15 WeakPolarHBondContact O-CB 3.19Å; P12-F15 PolarHBondContact O-N 3.18Å; I13-F15 HydrophobicContact CD1-CB 3.86Å; F15-I132 HydrophobicContact CE1-CG2 4.35Å; F15-T133 CarbonylContact O-C 3.52Å; F15-T133 WeakPolarHBondContact O-CA 3.44Å; F15-T133 WeakPolarHBondContact O-CB 3.2Å; F15-V134 HydrophobicContact CB-CB 4.34Å; F15-V134 HydrophobicContact CD1-CG2 4.49Å; F15-V134 PolarHBondContact N-O 3.12Å; F15-V134 PolarHBondContact O-N 2.88Å; F15-I143 HydrophobicContact CD1-CD1 3.51Å; F15-I143 HydrophobicContact CE1-CD1 3.52Å; F15-I143 HydrophobicContact CG-CD1 4.48Å; F15-I143 HydrophobicContact CZ-CD1 4.48Å |
| 16 | T | 97.4 | Very high | 88.1 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.3 | 167.5 | -62.5 | 0 | 0 | 0 | 0 | 108.2 | T131 I132 T133 | T16-T131 HydrophobicContact CG2-CG2 3.84Å; T16-I132 WeakPolarHBondContact CA-O 3.43Å; T16-T133 HydrophobicContact CG2-CG2 4.02Å |
| 17 | G | 92.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | T131 I132 | G17-T131 WeakPolarHBondContact O-CA 3.44Å; G17-I132 PolarHBondContact N-O 2.89Å; G17-I132 WeakPolarHBondContact O-CG2 3.17Å; G17-I132 PolarHBondContact O-N 3.16Å |
| 18 | S | 91.4 | Very high | 89.2 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 150.1 | 172.7 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | Q5 H20 D130 | Q5-S18 PolarHBondContact NE2-O 2.99Å; S18-H20 PolarHBondContact OG-CD2 3.21Å; S18-H20 PolarHBondContact OG-NE2 2.86Å; S18-H20 VanDerWaalsContact OG-NE2 3.14Å; S18-D130 CarbonylContact C-O 3.57Å |
| 19 | I | 93 | Very high | 90.2 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -109.2 | 102.5 | 169.2 | -52.8 | 172.1 | 0 | 0 | 0 | 106.3 | G21 G22 L23 K27 I29 L46 V129 D130 I132 F145 | I19-G21 PolarHBondContact O-N 2.97Å; I19-G22 PolarHBondContact O-N 3.14Å; I19-L23 HydrophobicContact CD1-CD2 4.03Å; I19-L23 HydrophobicContact CG2-CD2 4.14Å; I19-K27 HydrophobicContact CG2-CD 4.26Å; I19-I29 HydrophobicContact CD1-CD1 3.89Å; I19-L46 HydrophobicContact CD1-CD2 4.41Å; I19-V129 HydrophobicContact CD1-CG1 4.21Å; I19-D130 WeakPolarHBondContact CB-O 3.26Å; I19-D130 PolarHBondContact N-O 3.34Å; I19-I132 HydrophobicContact CD1-CB 4.3Å; I19-I132 HydrophobicContact CG1-CB 4.4Å; I19-I132 HydrophobicContact CG1-CG2 4.25Å; I19-F145 HydrophobicContact CB-CE1 4.45Å; I19-F145 HydrophobicContact CG1-CE1 4.01Å; I19-F145 HydrophobicContact CG2-CD1 4.22Å; I19-F145 HydrophobicContact CG2-CE1 4.16Å | ||
| 20 | H | 85.1 | Confident | 90.8 | Very high | 95 Ų | 95 | 46.5 Ų | 46.5 | 44% | 0.44 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 128.1 | -174.2 | -65.7 | 179 | 0 | 0 | 0 | 111 | F3 Q5 S18 G22 K27 | F3-H20 HydrophobicContact CB-CB 4.44Å; Q5-H20 HydrophobicContact CB-CB 4.24Å; Q5-H20 HydrophobicContact CG-CB 4.4Å; S18-H20 PolarHBondContact OG-CD2 3.21Å; S18-H20 PolarHBondContact OG-NE2 2.86Å; S18-H20 VanDerWaalsContact OG-NE2 3.14Å; H20-G22 PolarHBondContact O-N 3.13Å; H20-K27 PolarHBondContact O-NZ 2.79Å; H20-K27 VanDerWaalsContact O-NZ 3.12Å |
| 21 | G | 84.1 | Confident | 91.8 | Very high | 38 Ų | 38 | 41 Ų | 41 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 10.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I19 | I19-G21 PolarHBondContact O-N 2.97Š|
| 22 | G | 89.6 | Confident | 91.8 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | trans | 65.2 | -169.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I19 H20 K27 V129 | I19-G22 PolarHBondContact O-N 3.14Å; H20-G22 PolarHBondContact O-N 3.13Å; G22-K27 WeakPolarHBondContact O-CE 3.47Å; G22-K27 PolarHBondContact O-NZ 3.08Å; G22-K27 VanDerWaalsContact O-NZ 3.09Å; G22-V129 WeakPolarHBondContact CA-O 3.18Å | ||
| 23 | L | 93.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -80.2 | 143 | 169.4 | -62.2 | -172.1 | 0 | 0 | 0 | 112 | I19 K27 I29 L46 V103 Y108 F126 V129 | I19-L23 HydrophobicContact CD1-CD2 4.03Å; I19-L23 HydrophobicContact CG2-CD2 4.14Å; L23-K27 HydrophobicContact CD2-CD 4.13Å; L23-I29 HydrophobicContact CD2-CD1 3.91Å; L23-L46 HydrophobicContact CD1-CD1 4.24Å; L23-V103 HydrophobicContact CB-CG2 4.16Å; L23-V103 HydrophobicContact CD1-CG2 3.86Å; L23-V103 HydrophobicContact CD2-CG2 4Å; L23-V103 HydrophobicContact CG-CG2 4.26Å; L23-Y108 HydrophobicContact CD1-CE1 3.7Å; L23-F126 HydrophobicContact CB-CB 4.34Å; L23-F126 HydrophobicContact CB-CD2 4.12Å; L23-F126 WeakPolarHBondContact CB-O 3.32Å; L23-F126 HydrophobicContact CD1-CB 4.24Å; L23-V129 HydrophobicContact CD1-CB 3.63Å; L23-V129 HydrophobicContact CD1-CG1 3.55Å; L23-V129 HydrophobicContact CD1-CG2 4.19Å; L23-V129 HydrophobicContact CG-CB 3.84Å; L23-V129 HydrophobicContact CG-CG1 3.8Å; L23-V129 PolarHBondContact N-O 3.13Å | ||
| 24 | Q | 89.7 | Confident | 91.6 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | trans | -136.3 | 154 | 175.9 | -64.3 | -175.4 | -7.5 | 0 | 0 | 108.5 | G26 K27 V103 | Q24-G26 PolarHBondContact O-N 2.89Å; Q24-K27 WeakPolarHBondContact O-CB 3.19Å; Q24-K27 PolarHBondContact O-N 3.35Å; Q24-V103 WeakPolarHBondContact O-CB 3.29Å | ||
| 25 | E | 88.1 | Confident | 91.4 | Very high | 123 Ų | 123 | 33 Ų | 33 | 58% | 0.575 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 134.8 | 172.9 | -174.4 | 174.5 | 178.3 | 0 | 0 | 110.5 | K27 F126 | E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.07Å; E25-F126 HydrophobicContact CB-CZ 4.46Å |
| 26 | G | 84.9 | Confident | 91.1 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 24% | 0.237 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -15.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q24 S28 V103 P148 | Q24-G26 PolarHBondContact O-N 2.89Å; G26-S28 PolarHBondContact O-N 3.41Å; G26-V103 WeakPolarHBondContact CA-O 3.39Å; G26-V103 PolarHBondContact N-O 2.85Å; G26-P148 WeakPolarHBondContact O-CD 3.18Å; G26-P148 WeakPolarHBondContact O-CG 3.34Å |
| 27 | K | 87.9 | Confident | 90.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | trans | -63.4 | 132.4 | 178.7 | -173.8 | 179.9 | -67.7 | -122.7 | 0 | 110.2 | I19 H20 G22 L23 Q24 E25 V103 S146 T147 | I19-K27 HydrophobicContact CG2-CD 4.26Å; H20-K27 PolarHBondContact O-NZ 2.79Å; H20-K27 VanDerWaalsContact O-NZ 3.12Å; G22-K27 WeakPolarHBondContact O-CE 3.47Å; G22-K27 PolarHBondContact O-NZ 3.08Å; G22-K27 VanDerWaalsContact O-NZ 3.09Å; L23-K27 HydrophobicContact CD2-CD 4.13Å; Q24-K27 WeakPolarHBondContact O-CB 3.19Å; Q24-K27 PolarHBondContact O-N 3.35Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.07Å; K27-V103 WeakPolarHBondContact O-CG2 3.44Å; K27-V103 PolarHBondContact O-N 3.43Å; K27-S146 CarbonylContact C-O 3.56Å; K27-S146 WeakPolarHBondContact CA-O 3.49Å; K27-T147 HydrophobicContact CB-CG2 4.15Å; K27-T147 HydrophobicContact CD-CG2 4.18Å; K27-T147 VanDerWaalsContact CE-CG2 3.45Å; K27-T147 HydrophobicContact CG-CG2 3.84Å | ||
| 28 | S | 91.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 37 Ų | 37 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.4 | 174.4 | -62.4 | 0 | 0 | 0 | 0 | 111 | G26 I101 T102 F145 S146 | G26-S28 PolarHBondContact O-N 3.41Å; S28-I101 CarbonylContact C-O 3.55Å; S28-I101 WeakPolarHBondContact CA-O 3.32Å; S28-T102 PolarHBondContact OG-OG1 2.88Å; S28-T102 VanDerWaalsContact OG-OG1 3.13Å; S28-F145 WeakPolarHBondContact O-CA 3.36Å; S28-S146 PolarHBondContact N-O 2.89Å; S28-S146 PolarHBondContact O-N 2.86Å |
| 29 | I | 96.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.9 | 166.3 | -52 | 175.7 | 0 | 0 | 0 | 107.4 | I19 L23 I31 L46 Q100 I101 I132 I143 S144 F145 | I19-I29 HydrophobicContact CD1-CD1 3.89Å; L23-I29 HydrophobicContact CD2-CD1 3.91Å; I29-I31 HydrophobicContact CB-CD1 4.39Å; I29-I31 HydrophobicContact CG2-CD1 3.74Å; I29-I31 HydrophobicContact CG2-CG1 4.27Å; I29-L46 HydrophobicContact CD1-CD1 4.43Å; I29-L46 HydrophobicContact CD1-CD2 3.62Å; I29-Q100 WeakPolarHBondContact O-CA 3.48Å; I29-I101 PolarHBondContact N-O 2.77Å; I29-I101 PolarHBondContact O-N 2.88Å; I29-I132 HydrophobicContact CG2-CD1 3.91Å; I29-I143 HydrophobicContact CG2-CG2 3.92Å; I29-S144 WeakPolarHBondContact CA-O 3.39Å; I29-F145 HydrophobicContact CD1-CE1 4.25Å; I29-F145 HydrophobicContact CG1-CD1 3.96Å; I29-F145 HydrophobicContact CG1-CE1 4.1Å; I29-F145 HydrophobicContact CG2-CD1 4.3Å; I29-F145 HydrophobicContact CG2-CE1 4.02Å |
| 30 | I | 93.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.2 | -178.6 | -57.2 | 159.1 | 0 | 0 | 0 | 107.7 | T98 L99 Q100 I143 S144 I314 | I30-T98 HydrophobicContact CG2-CG2 3.68Å; I30-L99 CarbonylContact C-O 3.59Å; I30-L99 WeakPolarHBondContact CA-O 3.2Å; I30-Q100 HydrophobicContact CG1-CB 4.35Å; I30-Q100 HydrophobicContact CG1-CG 3.95Å; I30-I143 CarbonylContact O-C 3.49Å; I30-I143 WeakPolarHBondContact O-CA 3.46Å; I30-S144 PolarHBondContact N-O 2.88Å; I30-S144 PolarHBondContact O-N 3.2Å; I30-I314 HydrophobicContact CD1-CD1 4.39Å |
| 31 | I | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.2 | 179.6 | -56 | 93.5 | 0 | 0 | 0 | 107.9 | I29 V44 F97 T98 L99 I101 I132 I140 S142 I143 | I29-I31 HydrophobicContact CB-CD1 4.39Å; I29-I31 HydrophobicContact CG2-CD1 3.74Å; I29-I31 HydrophobicContact CG2-CG1 4.27Å; I31-V44 HydrophobicContact CD1-CG1 4.48Å; I31-F97 HydrophobicContact CG2-CE2 4.3Å; I31-T98 CarbonylContact O-C 3.5Å; I31-T98 WeakPolarHBondContact O-CA 3.3Å; I31-L99 HydrophobicContact CB-CB 4.31Å; I31-L99 HydrophobicContact CD1-CD2 4.22Å; I31-L99 HydrophobicContact CD1-CG 4.26Å; I31-L99 PolarHBondContact N-O 3.37Å; I31-L99 PolarHBondContact O-N 2.71Å; I31-I101 HydrophobicContact CD1-CD1 4.23Å; I31-I132 HydrophobicContact CD1-CD1 4.3Å; I31-I132 HydrophobicContact CG1-CD1 4.24Å; I31-I140 HydrophobicContact CG2-CD1 3.74Å; I31-I140 HydrophobicContact CG2-CG2 4.26Å; I31-S142 WeakPolarHBondContact CA-O 3.46Å; I31-I143 HydrophobicContact CG1-CG1 4.23Å; I31-I143 HydrophobicContact CG1-CG2 4.34Å; I31-I143 HydrophobicContact CG2-CG1 4.26Å |
| 32 | S | 90.2 | Very high | 91 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.9 | 171.8 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | F97 T98 S141 S142 | S32-F97 WeakPolarHBondContact CA-O 3.36Å; S32-T98 PolarHBondContact OG-OG1 2.78Å; S32-S141 WeakPolarHBondContact CB-OG 3.26Å; S32-S141 PolarHBondContact O-N 3.16Å; S32-S141 PolarHBondContact O-OG 3.35Å; S32-S142 PolarHBondContact N-O 3.26Å; S32-S142 PolarHBondContact O-N 3.33Å; S32-S142 VanDerWaalsContact O-N 3.16Å |
| 33 | G | 91.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | -169.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | N96 F97 E139 | G33-N96 CarbonylContact O-C 3.6Å; G33-N96 VanDerWaalsContact O-CA 3.27Å; G33-N96 WeakPolarHBondContact O-CA 3.21Å; G33-F97 PolarHBondContact N-O 2.86Å; G33-F97 WeakPolarHBondContact O-CD1 3.42Å; G33-F97 PolarHBondContact O-N 3.02Å; G33-E139 CarbonylContact C-O 3.5Å; G33-E139 WeakPolarHBondContact CA-O 3.36Å |
| 34 | R | 91.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 41.7 Ų | 41.7 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.1 | 175.9 | -176.6 | 179.5 | 178 | -145.5 | 3.3 | 110.2 | G94 N96 V138 E139 | R34-G94 PolarHBondContact NE-O 2.86Å; R34-G94 VanDerWaalsContact NE-O 3.09Å; R34-N96 WeakPolarHBondContact CB-OD1 3.28Å; R34-N96 WeakPolarHBondContact CG-OD1 3.46Å; R34-V138 WeakPolarHBondContact O-CG2 3.41Å; R34-E139 HydrophobicContact CB-CB 4.26Å; R34-E139 PolarHBondContact N-O 3.29Å; R34-E139 IonicContact NH1-OE2 2.83Å; R34-E139 PolarHBondContact O-N 3.42Å |
| 35 | V | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.3 | 170.3 | -173.6 | 0 | 0 | 0 | 0 | 108 | V39 F42 Y64 L91 A93 G94 S95 F97 | V35-V39 HydrophobicContact CG1-CG1 3.52Å; V35-F42 HydrophobicContact CG2-CE1 4.12Å; V35-Y64 HydrophobicContact CG1-CE1 4.24Å; V35-Y64 HydrophobicContact CG1-CE2 4.08Å; V35-Y64 WeakPolarHBondContact CG1-OH 3.44Å; V35-L91 HydrophobicContact CG2-CB 4.36Å; V35-A93 HydrophobicContact CG1-CB 4.31Å; V35-G94 CarbonylContact O-C 3.56Å; V35-G94 WeakPolarHBondContact O-CA 3.37Å; V35-G94 PolarHBondContact O-N 3.09Å; V35-S95 PolarHBondContact N-O 3.32Å; V35-F97 HydrophobicContact CG2-CD1 3.76Å; V35-F97 HydrophobicContact CG2-CE1 4.16Å |
| 36 | I | 89.9 | Confident | 92.6 | Very high | 50 Ų | 50 | 32 Ų | 32 | 26% | 0.256 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 134.8 | -179.4 | -59.8 | 176.1 | 0 | 0 | 0 | 109.4 | V39 R137 E139 | I36-V39 VanDerWaalsContact O-CB 3.31Å; I36-V39 WeakPolarHBondContact O-CB 3.35Å; I36-V39 WeakPolarHBondContact O-CG1 3.24Å; I36-V39 PolarHBondContact O-N 3.28Å; I36-R137 HydrophobicContact CD1-CB 4.32Å; I36-E139 HydrophobicContact CD1-CG 4.07Å; I36-E139 HydrophobicContact CG1-CG 4.01Å |
| 37 | P | 87.8 | Confident | 93.2 | Very high | 76 Ų | 76 | 32 Ų | 32 | 49% | 0.494 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 140.1 | 173.4 | -23.6 | 32.4 | 0 | 0 | 0 | 112.6 | V39 | P37-V39 VanDerWaalsContact C-N 3.26Å; P37-V39 PolarHBondContact O-N 2.98Å |
| 38 | G | 84.2 | Confident | 93.5 | Very high | 69 Ų | 69 | 33.1 Ų | 33.1 | 71% | 0.711 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 20.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 39 | V | 85.7 | Confident | 93.4 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | trans | -66.3 | 145 | 173.2 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | V35 I36 P37 R41 Y64 A93 R137 | V35-V39 HydrophobicContact CG1-CG1 3.52Å; I36-V39 VanDerWaalsContact O-CB 3.31Å; I36-V39 WeakPolarHBondContact O-CB 3.35Å; I36-V39 WeakPolarHBondContact O-CG1 3.24Å; I36-V39 PolarHBondContact O-N 3.28Å; P37-V39 VanDerWaalsContact C-N 3.26Å; P37-V39 PolarHBondContact O-N 2.98Å; V39-R41 VanDerWaalsContact CG2-N 3.28Å; V39-Y64 HydrophobicContact CB-CD2 4.49Å; V39-Y64 HydrophobicContact CG1-CD1 4.31Å; V39-Y64 HydrophobicContact CG1-CD2 3.49Å; V39-Y64 VanDerWaalsContact CG1-CD2 3.49Å; V39-Y64 HydrophobicContact CG1-CE1 4.45Å; V39-Y64 HydrophobicContact CG1-CE2 3.66Å; V39-Y64 HydrophobicContact CG1-CG 3.85Å; V39-Y64 HydrophobicContact CG2-CD2 4.26Å; V39-Y64 HydrophobicContact CG2-CE2 4.49Å; V39-Y64 VanDerWaalsContact O-CB 3.23Å; V39-Y64 WeakPolarHBondContact O-CB 3.46Å; V39-A93 HydrophobicContact CG1-CB 4.41Å; V39-R137 HydrophobicContact CB-CB 4.32Å; V39-R137 HydrophobicContact CG2-CB 3.78Å; V39-R137 WeakPolarHBondContact CG2-O 3.45Å | ||
| 40 | D | 90.1 | Very high | 93.1 | Very high | 103 Ų | 103 | 37.2 Ų | 37.2 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | trans | -85.3 | -48.2 | 166.9 | -50 | -48.8 | 0 | 0 | 0 | 111.1 | Y64 | D40-Y64 PolarHBondContact O-N 3.01Š| ||
| 41 | R | 96.1 | Very high | 92.8 | Very high | 142 Ų | 142 | 46.6 Ų | 46.6 | 54% | 0.536 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -167.4 | 160.1 | 179.3 | 55.2 | -173.1 | 148.2 | -174.3 | -8.2 | 113.1 | V39 P62 R63 R137 | V39-R41 VanDerWaalsContact CG2-N 3.28Å; R41-P62 WeakPolarHBondContact CA-O 3.33Å; R41-P62 WeakPolarHBondContact CB-O 3.21Å; R41-R63 HydrophobicContact CB-CG 4.15Å; R41-R137 PolarHBondContact O-N 3.39Å |
| 42 | F | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 167.7 | 162.1 | 75.6 | -87.9 | 0 | 0 | 0 | 109.8 | V35 V44 N61 P62 Y64 L91 F97 G135 V138 | V35-F42 HydrophobicContact CG2-CE1 4.12Å; F42-V44 HydrophobicContact CE2-CG2 4.43Å; F42-N61 WeakPolarHBondContact O-CA 3.5Å; F42-N61 PolarHBondContact O-ND2 3.35Å; F42-P62 HydrophobicContact CD1-CB 4.23Å; F42-P62 HydrophobicContact CD1-CG 4.38Å; F42-P62 HydrophobicContact CE1-CB 3.74Å; F42-P62 HydrophobicContact CE1-CG 3.7Å; F42-P62 HydrophobicContact CE2-CG 4.14Å; F42-P62 HydrophobicContact CZ-CB 4.16Å; F42-P62 HydrophobicContact CZ-CG 3.58Å; F42-P62 PolarHBondContact N-O 2.77Å; F42-P62 WeakPolarHBondContact O-CD 3.35Å; F42-Y64 HydrophobicContact CD1-CE2 4.39Å; F42-Y64 HydrophobicContact CE1-CE2 4.43Å; F42-L91 HydrophobicContact CZ-CD1 4.27Å; F42-F97 HydrophobicContact CE2-CZ 4.18Å; F42-F97 HydrophobicContact CZ-CE1 4.25Å; F42-F97 HydrophobicContact CZ-CZ 4.08Å; F42-G135 CarbonylContact C-O 3.5Å; F42-G135 VanDerWaalsContact CA-O 3.31Å; F42-G135 WeakPolarHBondContact CA-O 3.43Å; F42-G135 WeakPolarHBondContact CB-O 3.2Å; F42-V138 HydrophobicContact CB-CB 3.77Å; F42-V138 HydrophobicContact CB-CG1 3.88Å; F42-V138 HydrophobicContact CD1-CB 4.21Å; F42-V138 HydrophobicContact CD1-CG2 4.36Å; F42-V138 HydrophobicContact CD2-CB 3.93Å; F42-V138 HydrophobicContact CD2-CG1 3.93Å; F42-V138 HydrophobicContact CD2-CG2 4.03Å; F42-V138 HydrophobicContact CE1-CG2 4.48Å; F42-V138 HydrophobicContact CE2-CG2 4.16Å; F42-V138 HydrophobicContact CG-CB 3.72Å; F42-V138 HydrophobicContact CG-CG1 4.05Å; F42-V138 HydrophobicContact CG-CG2 4.12Å; F42-V138 HydrophobicContact CZ-CG2 4.37Å |
| 43 | H | 98.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 55 Ų | 55 | 26% | 0.255 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 153.1 | 176.3 | 63.1 | -96.8 | 0 | 0 | 0 | 112.9 | N45 H59 F60 N61 V134 G135 | H43-N45 PolarHBondContact CD2-ND2 2.98Å; H43-N45 PolarHBondContact CD2-OD1 3.17Å; H43-N45 PolarHBondContact NE2-ND2 3.36Å; H43-H59 AromaticContact CG-CE1 3.91Å; H43-F60 CarbonylContact C-O 3.53Å; H43-F60 WeakPolarHBondContact CA-O 3.02Å; H43-N61 HydrophobicContact CB-CB 4.08Å; H43-V134 WeakPolarHBondContact O-CA 3.36Å; H43-V134 WeakPolarHBondContact O-CG1 3.24Å; H43-G135 PolarHBondContact N-O 2.81Å; H43-G135 PolarHBondContact O-N 3.17Å |
| 44 | V | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127 | 165.8 | -179.5 | 0 | 0 | 0 | 0 | 107 | I31 F42 F60 L99 I101 I132 T133 V134 | I31-V44 HydrophobicContact CD1-CG1 4.48Å; F42-V44 HydrophobicContact CE2-CG2 4.43Å; V44-F60 HydrophobicContact CB-CB 4.5Å; V44-F60 PolarHBondContact N-O 3.03Å; V44-F60 PolarHBondContact O-N 3.5Å; V44-L99 HydrophobicContact CB-CD2 4.39Å; V44-L99 HydrophobicContact CG2-CD2 4.02Å; V44-I101 HydrophobicContact CG1-CD1 4.45Å; V44-I132 HydrophobicContact CG1-CD1 3.88Å; V44-I132 HydrophobicContact CG1-CG1 4.16Å; V44-T133 CarbonylContact C-O 3.57Å; V44-T133 WeakPolarHBondContact CA-O 3.49Å; V44-V134 HydrophobicContact CG1-CG2 4.49Å; V44-V134 HydrophobicContact CG2-CG1 4.3Å; V44-V134 HydrophobicContact CG2-CG2 4.24Å |
| 45 | N | 98.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.2 | 176.1 | -52.2 | -35.7 | 0 | 0 | 0 | 110.3 | H43 Q47 I56 F58 H59 I132 T133 | H43-N45 PolarHBondContact CD2-ND2 2.98Å; H43-N45 PolarHBondContact CD2-OD1 3.17Å; H43-N45 PolarHBondContact NE2-ND2 3.36Å; N45-Q47 HydrophobicContact CB-CG 3.77Å; N45-Q47 PolarHBondContact ND2-NE2 3.24Å; N45-I56 HydrophobicContact CB-CG2 3.79Å; N45-F58 CarbonylContact C-O 3.58Å; N45-F58 WeakPolarHBondContact CA-O 3.31Å; N45-H59 PolarHBondContact OD1-ND1 2.89Å; N45-I132 WeakPolarHBondContact O-CA 3.5Å; N45-T133 VanDerWaalsContact CB-OG1 3.31Å; N45-T133 WeakPolarHBondContact CB-OG1 3.31Å; N45-T133 PolarHBondContact N-O 2.88Å; N45-T133 PolarHBondContact ND2-OG1 2.79Å; N45-T133 PolarHBondContact O-N 2.86Å |
| 46 | L | 98.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 116.2 | 162.5 | -57.7 | -174.4 | 0 | 0 | 0 | 108 | I19 L23 I29 I56 A57 F58 I101 Y108 V129 I132 | I19-L46 HydrophobicContact CD1-CD2 4.41Å; L23-L46 HydrophobicContact CD1-CD1 4.24Å; I29-L46 HydrophobicContact CD1-CD1 4.43Å; I29-L46 HydrophobicContact CD1-CD2 3.62Å; L46-I56 CarbonylContact O-C 3.58Å; L46-A57 PolarHBondContact O-N 2.74Å; L46-F58 HydrophobicContact CB-CB 4.2Å; L46-F58 HydrophobicContact CD1-CB 4.31Å; L46-F58 HydrophobicContact CD1-CD1 4.07Å; L46-F58 HydrophobicContact CG-CB 4.4Å; L46-F58 HydrophobicContact CG-CD1 4.35Å; L46-F58 PolarHBondContact N-O 3.31Å; L46-F58 PolarHBondContact O-N 3.36Å; L46-I101 HydrophobicContact CD1-CD1 4.36Å; L46-I101 HydrophobicContact CD1-CG2 4.04Å; L46-Y108 HydrophobicContact CD1-CD1 4.22Å; L46-Y108 HydrophobicContact CD1-CE1 3.92Å; L46-V129 HydrophobicContact CB-CG1 3.78Å; L46-I132 HydrophobicContact CD2-CB 4.19Å; L46-I132 HydrophobicContact CD2-CD1 4.15Å; L46-I132 HydrophobicContact CD2-CG1 4.15Å |
| 47 | Q | 97.6 | Very high | 93 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 154.1 | -165.8 | -56.2 | -173.6 | -26 | 0 | 0 | 113 | N45 G49 D55 I56 V129 D130 T131 T133 | N45-Q47 HydrophobicContact CB-CG 3.77Å; N45-Q47 PolarHBondContact ND2-NE2 3.24Å; Q47-G49 PolarHBondContact O-N 3.09Å; Q47-D55 WeakPolarHBondContact CA-O 3.33Å; Q47-I56 HydrophobicContact CG-CG1 4.15Å; Q47-V129 WeakPolarHBondContact O-CA 3.49Å; Q47-D130 PolarHBondContact O-N 3.13Å; Q47-D130 VanDerWaalsContact O-N 3.15Å; Q47-T131 PolarHBondContact N-O 2.94Å; Q47-T131 PolarHBondContact O-N 3.18Å; Q47-T133 HydrophobicContact CG-CG2 4.41Å; Q47-T133 PolarHBondContact NE2-OG1 2.86Å |
| 48 | C | 95.7 | Very high | 93.5 | Very high | 27 Ų | 27 | 48 Ų | 48 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -93.3 | 75 | 173.6 | -49.5 | 0 | 0 | 0 | 0 | 109.5 | T54 D55 Q128 | C48-T54 WeakPolarHBondContact O-CB 3.32Å; C48-D55 HydrophobicContact CB-CB 4.34Å; C48-D55 PolarHBondContact N-O 3.43Å; C48-Q128 WeakPolarHBondContact CA-O 3.4Å; C48-Q128 HydrophobicContact CB-CB 4.4Å; C48-Q128 WeakPolarHBondContact CB-O 3.49Å |
| 49 | G | 89.9 | Confident | 94.2 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 97 | 164.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q47 T54 D130 | Q47-G49 PolarHBondContact O-N 3.09Å; G49-T54 PolarHBondContact O-OG1 3.14Å; G49-D130 WeakPolarHBondContact CA-OD1 3.23Å; G49-D130 PolarHBondContact N-OD1 2.84Å |
| 50 | S | 88.8 | Confident | 94.8 | Very high | 83 Ų | 83 | 45 Ų | 45 | 58% | 0.58 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -98.7 | 2.2 | -171.6 | 59.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 51 | R | 86.9 | Confident | 95.2 | Very high | 210 Ų | 210 | 40.4 Ų | 40.4 | 79% | 0.792 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -76.2 | 154.7 | 179.5 | -62.9 | -176.7 | -177.9 | -156.4 | 0.7 | 110.6 | G53 T54 | R51-G53 PolarHBondContact O-N 2.94Å; R51-T54 HydrophobicContact CB-CG2 3.86Å; R51-T54 VanDerWaalsContact O-CG2 3.26Å; R51-T54 WeakPolarHBondContact O-CG2 3.41Å; R51-T54 PolarHBondContact O-N 3.23Å; R51-T54 PolarHBondContact O-OG1 2.9Å |
| 52 | S | 83 | Confident | 95.3 | Very high | 132 Ų | 132 | 33.7 Ų | 33.7 | 92% | 0.923 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 137.7 | 171.8 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | T54 | S52-T54 VanDerWaalsContact C-N 3.31Å; S52-T54 PolarHBondContact O-N 3.32Å |
| 53 | G | 85.8 | Confident | 95.2 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 10.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R51 | R51-G53 PolarHBondContact O-N 2.94Š|
| 54 | T | 94.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 34.1 Ų | 34.1 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | trans | -64.7 | 155.2 | 170.4 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | C48 G49 R51 S52 I56 | C48-T54 WeakPolarHBondContact O-CB 3.32Å; G49-T54 PolarHBondContact O-OG1 3.14Å; R51-T54 HydrophobicContact CB-CG2 3.86Å; R51-T54 VanDerWaalsContact O-CG2 3.26Å; R51-T54 WeakPolarHBondContact O-CG2 3.41Å; R51-T54 PolarHBondContact O-N 3.23Å; R51-T54 PolarHBondContact O-OG1 2.9Å; S52-T54 VanDerWaalsContact C-N 3.31Å; S52-T54 PolarHBondContact O-N 3.32Å; T54-I56 PolarHBondContact O-N 3.32Å | ||
| 55 | D | 97.4 | Very high | 94.4 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | trans | -62.9 | 135.4 | 178.3 | -72.3 | -10.6 | 0 | 0 | 0 | 111 | Q47 C48 F75 Q76 Y77 I124 | Q47-D55 WeakPolarHBondContact CA-O 3.33Å; C48-D55 HydrophobicContact CB-CB 4.34Å; C48-D55 PolarHBondContact N-O 3.43Å; D55-F75 CarbonylContact C-O 3.33Å; D55-F75 VanDerWaalsContact CA-O 3.27Å; D55-F75 WeakPolarHBondContact CA-O 3.43Å; D55-Q76 WeakPolarHBondContact OD1-CA 3.34Å; D55-Y77 PolarHBondContact OD1-N 3.5Å; D55-I124 HydrophobicContact CB-CD1 3.8Å | ||
| 56 | I | 98.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 105.5 | 175.7 | -54.2 | 172.5 | 0 | 0 | 0 | 107.1 | N45 L46 Q47 T54 F58 H59 S74 F75 W80 | N45-I56 HydrophobicContact CB-CG2 3.79Å; L46-I56 CarbonylContact O-C 3.58Å; Q47-I56 HydrophobicContact CG-CG1 4.15Å; T54-I56 PolarHBondContact O-N 3.32Å; I56-F58 VanDerWaalsContact C-N 3.34Å; I56-H59 HydrophobicContact CG2-CB 3.97Å; I56-S74 CarbonylContact O-C 3.52Å; I56-S74 WeakPolarHBondContact O-CA 3.39Å; I56-S74 VanDerWaalsContact O-CB 3.32Å; I56-S74 WeakPolarHBondContact O-CB 3.47Å; I56-F75 HydrophobicContact CB-CB 3.79Å; I56-F75 HydrophobicContact CD1-CB 4.01Å; I56-F75 HydrophobicContact CG1-CB 3.96Å; I56-F75 PolarHBondContact N-O 2.9Å; I56-F75 PolarHBondContact O-N 2.87Å; I56-W80 HydrophobicContact CD1-CH2 3.93Å; I56-W80 HydrophobicContact CD1-CZ2 4.4Å |
| 57 | A | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L46 S74 I124 V129 | L46-A57 PolarHBondContact O-N 2.74Å; A57-S74 PolarHBondContact O-OG 2.87Å; A57-I124 HydrophobicContact CB-CB 3.91Å; A57-I124 HydrophobicContact CB-CD1 4.14Å; A57-I124 HydrophobicContact CB-CG1 4.34Å; A57-I124 HydrophobicContact CB-CG2 4.47Å; A57-V129 HydrophobicContact CB-CG2 3.34Å |
| 58 | F | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 114.5 | 177.9 | -179.7 | -128.9 | 0 | 0 | 0 | 111.1 | N45 L46 I56 F60 T72 I101 Y108 V110 Y120 | N45-F58 CarbonylContact C-O 3.58Å; N45-F58 WeakPolarHBondContact CA-O 3.31Å; L46-F58 HydrophobicContact CB-CB 4.2Å; L46-F58 HydrophobicContact CD1-CB 4.31Å; L46-F58 HydrophobicContact CD1-CD1 4.07Å; L46-F58 HydrophobicContact CG-CB 4.4Å; L46-F58 HydrophobicContact CG-CD1 4.35Å; L46-F58 PolarHBondContact N-O 3.31Å; L46-F58 PolarHBondContact O-N 3.36Å; I56-F58 VanDerWaalsContact C-N 3.34Å; F58-F60 HydrophobicContact CE1-CB 3.93Å; F58-F60 HydrophobicContact CE1-CD2 4.41Å; F58-F60 HydrophobicContact CZ-CB 3.92Å; F58-F60 AromaticContact CZ-CD2 3.9Å; F58-F60 HydrophobicContact CZ-CD2 3.9Å; F58-F60 HydrophobicContact CZ-CG 4.39Å; F58-T72 HydrophobicContact CE2-CG2 3.64Å; F58-T72 HydrophobicContact CZ-CG2 3.99Å; F58-I101 HydrophobicContact CD1-CD1 4.14Å; F58-I101 HydrophobicContact CD1-CG2 4.32Å; F58-I101 HydrophobicContact CE1-CD1 3.88Å; F58-I101 HydrophobicContact CE1-CG1 4.24Å; F58-I101 HydrophobicContact CE1-CG2 4.24Å; F58-Y108 HydrophobicContact CB-CD2 3.91Å; F58-Y108 HydrophobicContact CB-CE2 3.7Å; F58-Y108 HydrophobicContact CD1-CD2 4.48Å; F58-Y108 HydrophobicContact CD1-CG 4.47Å; F58-Y108 HydrophobicContact CD2-CD2 4.37Å; F58-Y108 HydrophobicContact CG-CD2 4.02Å; F58-Y108 HydrophobicContact CG-CE2 4.33Å; F58-Y108 HydrophobicContact CG-CG 4.46Å; F58-V110 HydrophobicContact CE1-CG2 3.98Å; F58-V110 HydrophobicContact CZ-CG2 3.67Å; F58-Y120 AromaticContact CD2-CD1 3.42Å; F58-Y120 HydrophobicContact CD2-CD1 3.42Å; F58-Y120 VanDerWaalsContact CD2-CD1 3.42Å; F58-Y120 HydrophobicContact CD2-CD2 4.25Å; F58-Y120 AromaticContact CD2-CE1 3.87Å; F58-Y120 HydrophobicContact CD2-CE1 3.87Å; F58-Y120 AromaticContact CD2-CG 3.61Å; F58-Y120 HydrophobicContact CD2-CG 3.61Å; F58-Y120 AromaticContact CE2-CD1 3.91Å; F58-Y120 HydrophobicContact CE2-CD1 3.91Å; F58-Y120 HydrophobicContact CE2-CD2 4.02Å; F58-Y120 AromaticContact CE2-CG 3.57Å; F58-Y120 HydrophobicContact CE2-CG 3.57Å; F58-Y120 HydrophobicContact CG-CD1 4.35Å |
| 59 | H | 98.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.069 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.7 | 170.6 | 178.2 | 64.6 | 0 | 0 | 0 | 108.4 | H43 N45 I56 N61 T72 N73 W80 | H43-H59 AromaticContact CG-CE1 3.91Å; N45-H59 PolarHBondContact OD1-ND1 2.89Å; I56-H59 HydrophobicContact CG2-CB 3.97Å; H59-N61 WeakPolarHBondContact NE2-CB 3.32Å; H59-T72 WeakPolarHBondContact O-CA 3.4Å; H59-N73 VanDerWaalsContact CB-O 3.31Å; H59-N73 WeakPolarHBondContact CB-O 3.44Å; H59-N73 PolarHBondContact N-O 3.16Å; H59-N73 PolarHBondContact O-N 3.29Å; H59-W80 HydrophobicContact CB-CH2 3.83Å; H59-W80 HydrophobicContact CB-CZ3 3.62Å; H59-W80 AromaticContact CD2-CH2 3.57Å; H59-W80 AromaticContact CD2-CZ3 3.69Å; H59-W80 AromaticContact CE1-CH2 3.94Å; H59-W80 AromaticContact CG-CH2 3.49Å; H59-W80 VanDerWaalsContact CG-CH2 3.49Å; H59-W80 AromaticContact CG-CZ3 3.69Å; H59-W80 AromaticContact ND1-CH2 3.75Å; H59-W80 AromaticContact NE2-CH2 3.86Å |
| 60 | F | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.3 | 173 | -178.1 | -92 | 0 | 0 | 0 | 109 | H43 V44 F58 P62 V70 T72 L91 L99 V110 V112 F117 | H43-F60 CarbonylContact C-O 3.53Å; H43-F60 WeakPolarHBondContact CA-O 3.02Å; V44-F60 HydrophobicContact CB-CB 4.5Å; V44-F60 PolarHBondContact N-O 3.03Å; V44-F60 PolarHBondContact O-N 3.5Å; F58-F60 HydrophobicContact CE1-CB 3.93Å; F58-F60 HydrophobicContact CE1-CD2 4.41Å; F58-F60 HydrophobicContact CZ-CB 3.92Å; F58-F60 AromaticContact CZ-CD2 3.9Å; F58-F60 HydrophobicContact CZ-CD2 3.9Å; F58-F60 HydrophobicContact CZ-CG 4.39Å; F60-P62 HydrophobicContact CD1-CG 3.97Å; F60-P62 HydrophobicContact CE1-CG 3.44Å; F60-P62 VanDerWaalsContact CE1-CG 3.44Å; F60-P62 HydrophobicContact CZ-CG 4.2Å; F60-V70 HydrophobicContact CD2-CG1 3.84Å; F60-V70 HydrophobicContact CE1-CG1 4.35Å; F60-V70 HydrophobicContact CE2-CG1 3.56Å; F60-V70 HydrophobicContact CG-CG1 4.36Å; F60-V70 HydrophobicContact CZ-CG1 3.83Å; F60-V70 HydrophobicContact CZ-CG2 4.2Å; F60-T72 HydrophobicContact CD2-CG2 3.94Å; F60-L91 HydrophobicContact CE1-CD1 3.85Å; F60-L91 HydrophobicContact CZ-CD1 3.99Å; F60-L99 HydrophobicContact CD1-CD1 4.45Å; F60-L99 HydrophobicContact CD1-CD2 3.73Å; F60-L99 HydrophobicContact CE1-CD1 4.04Å; F60-L99 HydrophobicContact CE1-CD2 3.85Å; F60-L99 HydrophobicContact CE2-CD1 4.18Å; F60-L99 HydrophobicContact CG-CD2 4.33Å; F60-L99 HydrophobicContact CZ-CD1 3.89Å; F60-V110 HydrophobicContact CD2-CG1 4.32Å; F60-V110 HydrophobicContact CE2-CG1 3.9Å; F60-V112 HydrophobicContact CZ-CG2 4.39Å; F60-F117 HydrophobicContact CE2-CD1 4.02Å; F60-F117 AromaticContact CE2-CE1 3.83Å; F60-F117 HydrophobicContact CE2-CE1 3.83Å; F60-F117 HydrophobicContact CZ-CD1 4.49Å; F60-F117 HydrophobicContact CZ-CE1 4.29Å |
| 61 | N | 98.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 90.8 | -169.7 | 175.4 | -140.5 | 0 | 0 | 0 | 112.7 | F42 H43 H59 R63 V71 | F42-N61 WeakPolarHBondContact O-CA 3.5Å; F42-N61 PolarHBondContact O-ND2 3.35Å; H43-N61 HydrophobicContact CB-CB 4.08Å; H59-N61 WeakPolarHBondContact NE2-CB 3.32Å; N61-R63 PolarHBondContact OD1-NE 3.38Å; N61-R63 PolarHBondContact OD1-NH2 2.92Å; N61-V71 PolarHBondContact N-O 2.9Å; N61-V71 PolarHBondContact O-N 2.8Å |
| 62 | P | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 133.3 | 166.5 | -24 | 37.6 | 0 | 0 | 0 | 111.3 | R41 F42 F60 Y64 V70 L91 | R41-P62 WeakPolarHBondContact CA-O 3.33Å; R41-P62 WeakPolarHBondContact CB-O 3.21Å; F42-P62 HydrophobicContact CD1-CB 4.23Å; F42-P62 HydrophobicContact CD1-CG 4.38Å; F42-P62 HydrophobicContact CE1-CB 3.74Å; F42-P62 HydrophobicContact CE1-CG 3.7Å; F42-P62 HydrophobicContact CE2-CG 4.14Å; F42-P62 HydrophobicContact CZ-CB 4.16Å; F42-P62 HydrophobicContact CZ-CG 3.58Å; F42-P62 PolarHBondContact N-O 2.77Å; F42-P62 WeakPolarHBondContact O-CD 3.35Å; F60-P62 HydrophobicContact CD1-CG 3.97Å; F60-P62 HydrophobicContact CE1-CG 3.44Å; F60-P62 VanDerWaalsContact CE1-CG 3.44Å; F60-P62 HydrophobicContact CZ-CG 4.2Å; P62-Y64 HydrophobicContact CB-CE2 4Å; P62-V70 HydrophobicContact CB-CG2 4.36Å; P62-V70 HydrophobicContact CG-CG2 4.23Å; P62-L91 HydrophobicContact CB-CD1 4Å; P62-L91 HydrophobicContact CG-CD1 3.4Å; P62-L91 VanDerWaalsContact CG-CD1 3.4Å |
| 63 | R | 95.8 | Very high | 94.8 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.1 | -179.5 | -59.6 | -174.9 | -176.4 | 172.6 | 10 | 110.2 | R41 N61 D65 P68 Y69 E83 | R41-R63 HydrophobicContact CB-CG 4.15Å; N61-R63 PolarHBondContact OD1-NE 3.38Å; N61-R63 PolarHBondContact OD1-NH2 2.92Å; R63-D65 WeakPolarHBondContact CB-OD1 3.41Å; R63-P68 WeakPolarHBondContact O-CA 3.32Å; R63-Y69 HydrophobicContact CB-CD1 4.23Å; R63-Y69 HydrophobicContact CB-CE1 3.76Å; R63-Y69 HydrophobicContact CB-CE2 4.26Å; R63-Y69 WeakPolarHBondContact CD-OH 3.11Å; R63-Y69 HydrophobicContact CG-CE2 4.47Å; R63-Y69 PolarHBondContact N-O 3.33Å; R63-Y69 PolarHBondContact O-N 2.79Å; R63-Y69 VanDerWaalsContact O-N 3.08Å; R63-E83 IonicContact NH2-OE1 2.77Å; R63-E83 PolarHBondContact NH2-OE1 3.03Å |
| 64 | Y | 92.4 | Very high | 95.4 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 11% | 0.114 | 15% | 0.152 | C | C | . | . | trans | -130.7 | 14.5 | -171.2 | -59.7 | -92.8 | 0 | 0 | 0 | 112.1 | V35 V39 D40 F42 P62 G66 P68 L91 A93 | V35-Y64 HydrophobicContact CG1-CE1 4.24Å; V35-Y64 HydrophobicContact CG1-CE2 4.08Å; V35-Y64 WeakPolarHBondContact CG1-OH 3.44Å; V39-Y64 HydrophobicContact CB-CD2 4.49Å; V39-Y64 HydrophobicContact CG1-CD1 4.31Å; V39-Y64 HydrophobicContact CG1-CD2 3.49Å; V39-Y64 VanDerWaalsContact CG1-CD2 3.49Å; V39-Y64 HydrophobicContact CG1-CE1 4.45Å; V39-Y64 HydrophobicContact CG1-CE2 3.66Å; V39-Y64 HydrophobicContact CG1-CG 3.85Å; V39-Y64 HydrophobicContact CG2-CD2 4.26Å; V39-Y64 HydrophobicContact CG2-CE2 4.49Å; V39-Y64 VanDerWaalsContact O-CB 3.23Å; V39-Y64 WeakPolarHBondContact O-CB 3.46Å; D40-Y64 PolarHBondContact O-N 3.01Å; F42-Y64 HydrophobicContact CD1-CE2 4.39Å; F42-Y64 HydrophobicContact CE1-CE2 4.43Å; P62-Y64 HydrophobicContact CB-CE2 4Å; Y64-G66 PolarHBondContact O-N 2.89Å; Y64-P68 HydrophobicContact CD1-CB 3.98Å; Y64-P68 HydrophobicContact CD1-CG 4Å; Y64-P68 HydrophobicContact CE1-CB 4.19Å; Y64-P68 HydrophobicContact CE1-CG 4.48Å; Y64-L91 WeakPolarHBondContact CE1-O 3.23Å; Y64-L91 WeakPolarHBondContact OH-CB 3Å; Y64-L91 PolarHBondContact OH-O 3.49Å; Y64-A93 HydrophobicContact CD1-CB 4.34Å; Y64-A93 HydrophobicContact CE1-CB 4.28Å | ||
| 65 | D | 87.6 | Confident | 95.6 | Very high | 106 Ų | 106 | 27.7 Ų | 27.7 | 57% | 0.567 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -73 | 70.2 | 171.5 | 54.9 | -23 | 0 | 0 | 0 | 110.5 | R63 Y69 | R63-D65 WeakPolarHBondContact CB-OD1 3.41Å; D65-Y69 WeakPolarHBondContact OD1-CE1 3.3Å; D65-Y69 PolarHBondContact OD1-OH 3.37Å |
| 66 | G | 84.5 | Confident | 95.5 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 60% | 0.598 | 16% | 0.156 | S | C | * | . | S | Bend | trans | 113.1 | -129.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y64 P68 | Y64-G66 PolarHBondContact O-N 2.89Å; G66-P68 WeakPolarHBondContact O-CD 3.37Å |
| 67 | H | 86.8 | Confident | 95.2 | Very high | 166 Ų | 166 | 37.3 Ų | 37.3 | 77% | 0.769 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -73.3 | 122.3 | 173.2 | -74.1 | -31 | 0 | 0 | 0 | 110.1 | Y69 | H67-Y69 VanDerWaalsContact O-CD1 3.31Å; H67-Y69 WeakPolarHBondContact O-CD1 3.09Å; H67-Y69 PolarHBondContact O-N 3.35Å |
| 68 | P | 91 | Very high | 95 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 34% | 0.344 | 21% | 0.211 | S | C | . | . | trans | -59.8 | 129.1 | -173.4 | -26.7 | 35.3 | 0 | 0 | 0 | 113.9 | R63 Y64 G66 Q87 A89 | R63-P68 WeakPolarHBondContact O-CA 3.32Å; Y64-P68 HydrophobicContact CD1-CB 3.98Å; Y64-P68 HydrophobicContact CD1-CG 4Å; Y64-P68 HydrophobicContact CE1-CB 4.19Å; Y64-P68 HydrophobicContact CE1-CG 4.48Å; G66-P68 WeakPolarHBondContact O-CD 3.37Å; P68-Q87 VanDerWaalsContact O-O 3.11Å; P68-A89 HydrophobicContact CB-CB 4.21Å; P68-A89 PolarHBondContact O-N 3.06Å | ||
| 69 | Y | 94.4 | Very high | 94.9 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 162.9 | -179.7 | 66.2 | -74.7 | 0 | 0 | 0 | 110.8 | R63 D65 H67 V71 K86 | R63-Y69 HydrophobicContact CB-CD1 4.23Å; R63-Y69 HydrophobicContact CB-CE1 3.76Å; R63-Y69 HydrophobicContact CB-CE2 4.26Å; R63-Y69 WeakPolarHBondContact CD-OH 3.11Å; R63-Y69 HydrophobicContact CG-CE2 4.47Å; R63-Y69 PolarHBondContact N-O 3.33Å; R63-Y69 PolarHBondContact O-N 2.79Å; R63-Y69 VanDerWaalsContact O-N 3.08Å; D65-Y69 WeakPolarHBondContact OD1-CE1 3.3Å; D65-Y69 PolarHBondContact OD1-OH 3.37Å; H67-Y69 VanDerWaalsContact O-CD1 3.31Å; H67-Y69 WeakPolarHBondContact O-CD1 3.09Å; H67-Y69 PolarHBondContact O-N 3.35Å; Y69-V71 HydrophobicContact CD2-CG2 3.81Å; Y69-V71 HydrophobicContact CE2-CG2 3.42Å; Y69-V71 VanDerWaalsContact CE2-CG2 3.42Å; Y69-K86 CarbonylContact C-O 3.59Å; Y69-K86 VanDerWaalsContact CA-O 3.25Å; Y69-K86 WeakPolarHBondContact CA-O 3.35Å; Y69-K86 VanDerWaalsContact CB-O 3.29Å; Y69-K86 WeakPolarHBondContact CB-O 3.44Å |
| 70 | V | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.3 | 173.2 | -177 | 0 | 0 | 0 | 0 | 109.3 | F60 P62 T72 R85 K86 A89 F117 | F60-V70 HydrophobicContact CD2-CG1 3.84Å; F60-V70 HydrophobicContact CE1-CG1 4.35Å; F60-V70 HydrophobicContact CE2-CG1 3.56Å; F60-V70 HydrophobicContact CG-CG1 4.36Å; F60-V70 HydrophobicContact CZ-CG1 3.83Å; F60-V70 HydrophobicContact CZ-CG2 4.2Å; P62-V70 HydrophobicContact CB-CG2 4.36Å; P62-V70 HydrophobicContact CG-CG2 4.23Å; V70-T72 HydrophobicContact CG1-CG2 4.17Å; V70-R85 WeakPolarHBondContact O-CA 3.19Å; V70-K86 PolarHBondContact N-O 2.99Å; V70-K86 PolarHBondContact O-N 3.16Å; V70-A89 HydrophobicContact CG2-CB 3.76Å; V70-F117 HydrophobicContact CB-CE1 3.96Å; V70-F117 HydrophobicContact CB-CZ 3.83Å; V70-F117 HydrophobicContact CG1-CE1 4.14Å; V70-F117 HydrophobicContact CG2-CE1 3.9Å; V70-F117 HydrophobicContact CG2-CZ 3.63Å |
| 71 | V | 97.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.3 | 165.9 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | N61 Y69 E83 R85 | N61-V71 PolarHBondContact N-O 2.9Å; N61-V71 PolarHBondContact O-N 2.8Å; Y69-V71 HydrophobicContact CD2-CG2 3.81Å; Y69-V71 HydrophobicContact CE2-CG2 3.42Å; Y69-V71 VanDerWaalsContact CE2-CG2 3.42Å; V71-E83 HydrophobicContact CG1-CB 4.15Å; V71-E83 HydrophobicContact CG1-CG 3.87Å; V71-R85 HydrophobicContact CG2-CG 4.26Å |
| 72 | T | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.2 | 167.2 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | F58 H59 F60 V70 E84 M118 | F58-T72 HydrophobicContact CE2-CG2 3.64Å; F58-T72 HydrophobicContact CZ-CG2 3.99Å; H59-T72 WeakPolarHBondContact O-CA 3.4Å; F60-T72 HydrophobicContact CD2-CG2 3.94Å; V70-T72 HydrophobicContact CG1-CG2 4.17Å; T72-E84 PolarHBondContact N-O 2.88Å; T72-E84 PolarHBondContact O-N 2.86Å; T72-E84 WeakPolarHBondContact OG1-CB 3.38Å; T72-E84 PolarHBondContact OG1-O 2.75Å; T72-M118 HydrophobicContact CG2-CE 4.16Å; T72-M118 HydrophobicContact CG2-SD 3.62Å; T72-M118 WeakPolarHBondContact OG1-CE 3.2Å |
| 73 | N | 98.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 176.3 | -179.4 | -151.1 | -15.8 | 0 | 0 | 0 | 111.2 | H59 W80 G81 S82 E83 Y120 R123 | H59-N73 VanDerWaalsContact CB-O 3.31Å; H59-N73 WeakPolarHBondContact CB-O 3.44Å; H59-N73 PolarHBondContact N-O 3.16Å; H59-N73 PolarHBondContact O-N 3.29Å; N73-W80 HydrophobicContact CB-CE3 3.79Å; N73-W80 HydrophobicContact CB-CZ3 3.96Å; N73-G81 PolarHBondContact ND2-O 3.14Å; N73-G81 VanDerWaalsContact OD1-C 3.23Å; N73-G81 WeakPolarHBondContact OD1-CA 3.22Å; N73-G81 PolarHBondContact OD1-N 3.38Å; N73-G81 PolarHBondContact OD1-O 3.39Å; N73-S82 PolarHBondContact OD1-O 2.95Å; N73-S82 VanDerWaalsContact OD1-O 3.09Å; N73-E83 WeakPolarHBondContact ND2-CG 3.39Å; N73-Y120 VanDerWaalsContact CA-OH 3.26Å; N73-Y120 WeakPolarHBondContact CA-OH 3.38Å; N73-R123 PolarHBondContact OD1-NH1 2.79Å; N73-R123 VanDerWaalsContact OD1-NH1 3.1Å |
| 74 | S | 98.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.7 | 166.1 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | I56 A57 G81 Y120 | I56-S74 CarbonylContact O-C 3.52Å; I56-S74 WeakPolarHBondContact O-CA 3.39Å; I56-S74 VanDerWaalsContact O-CB 3.32Å; I56-S74 WeakPolarHBondContact O-CB 3.47Å; A57-S74 PolarHBondContact O-OG 2.87Å; S74-G81 PolarHBondContact O-N 2.8Å; S74-Y120 PolarHBondContact N-OH 2.95Å; S74-Y120 VanDerWaalsContact N-OH 3.14Å; S74-Y120 PolarHBondContact OG-OH 2.75Å; S74-Y120 VanDerWaalsContact OG-OH 3.08Å |
| 75 | F | 98.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 66.4 Ų | 66.4 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.3 | 173.8 | -176.5 | -98.9 | 0 | 0 | 0 | 108.1 | D55 I56 G78 N79 W80 | D55-F75 CarbonylContact C-O 3.33Å; D55-F75 VanDerWaalsContact CA-O 3.27Å; D55-F75 WeakPolarHBondContact CA-O 3.43Å; I56-F75 HydrophobicContact CB-CB 3.79Å; I56-F75 HydrophobicContact CD1-CB 4.01Å; I56-F75 HydrophobicContact CG1-CB 3.96Å; I56-F75 PolarHBondContact N-O 2.9Å; I56-F75 PolarHBondContact O-N 2.87Å; F75-G78 VanDerWaalsContact CE2-O 3.27Å; F75-G78 WeakPolarHBondContact CE2-O 3.27Å; F75-G78 VanDerWaalsContact CZ-O 3.31Å; F75-G78 WeakPolarHBondContact CZ-O 3.36Å; F75-N79 CarbonylContact C-O 3.51Å; F75-N79 WeakPolarHBondContact CA-O 3.26Å; F75-N79 VanDerWaalsContact CD2-C 3.44Å; F75-N79 WeakPolarHBondContact CD2-O 3.33Å; F75-W80 HydrophobicContact CB-CD2 4.28Å; F75-W80 HydrophobicContact CB-CE3 4Å; F75-W80 HydrophobicContact CB-CH2 4.31Å; F75-W80 HydrophobicContact CB-CZ3 4.01Å; F75-W80 AromaticContact CD2-CD1 3.91Å; F75-W80 AromaticContact CD2-CD2 3.83Å; F75-W80 HydrophobicContact CD2-CD2 3.83Å; F75-W80 AromaticContact CD2-CE2 3.82Å; F75-W80 HydrophobicContact CD2-CE3 4.39Å; F75-W80 AromaticContact CD2-CG 3.91Å; F75-W80 HydrophobicContact CD2-CG 3.91Å; F75-W80 HydrophobicContact CD2-CZ2 4.4Å; F75-W80 AromaticContact CD2-NE1 3.85Å |
| 76 | Q | 95.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 66 Ų | 66 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.3 | -176.4 | -68.3 | 179.6 | 40.6 | 0 | 0 | 109.5 | D55 G78 N79 R123 I124 | D55-Q76 WeakPolarHBondContact OD1-CA 3.34Å; Q76-G78 PolarHBondContact O-N 2.6Å; Q76-G78 VanDerWaalsContact O-N 3.16Å; Q76-N79 PolarHBondContact N-O 2.96Å; Q76-N79 PolarHBondContact O-N 3.4Å; Q76-R123 PolarHBondContact NE2-O 2.93Å; Q76-R123 VanDerWaalsContact NE2-O 3.09Å; Q76-I124 HydrophobicContact CG-CD1 3.46Å; Q76-I124 VanDerWaalsContact CG-CD1 3.46Å; Q76-I124 HydrophobicContact CG-CG1 3.75Å |
| 77 | Y | 93.1 | Very high | 95.3 | Very high | 188 Ų | 188 | 68.4 Ų | 68.4 | 74% | 0.737 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.7 | 175.1 | -48.8 | -69.6 | 0 | 0 | 0 | 113.1 | D55 N79 | D55-Y77 PolarHBondContact OD1-N 3.5Å; Y77-N79 VanDerWaalsContact C-N 3.33Å; Y77-N79 PolarHBondContact O-N 2.76Å; Y77-N79 PolarHBondContact O-ND2 3.25Å |
| 78 | G | 93.5 | Very high | 94.9 | Very high | 47 Ų | 47 | 68.5 Ų | 68.5 | 49% | 0.485 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 2.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F75 Q76 | F75-G78 VanDerWaalsContact CE2-O 3.27Å; F75-G78 WeakPolarHBondContact CE2-O 3.27Å; F75-G78 VanDerWaalsContact CZ-O 3.31Å; F75-G78 WeakPolarHBondContact CZ-O 3.36Å; Q76-G78 PolarHBondContact O-N 2.6Å; Q76-G78 VanDerWaalsContact O-N 3.16Å |
| 79 | N | 96.9 | Very high | 94.1 | Very high | 112 Ų | 112 | 66.8 Ų | 66.8 | 60% | 0.599 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.3 | -174.1 | -65.8 | -80.7 | 0 | 0 | 0 | 112.7 | F75 Q76 Y77 | F75-N79 CarbonylContact C-O 3.51Å; F75-N79 WeakPolarHBondContact CA-O 3.26Å; F75-N79 VanDerWaalsContact CD2-C 3.44Å; F75-N79 WeakPolarHBondContact CD2-O 3.33Å; Q76-N79 PolarHBondContact N-O 2.96Å; Q76-N79 PolarHBondContact O-N 3.4Å; Y77-N79 VanDerWaalsContact C-N 3.33Å; Y77-N79 PolarHBondContact O-N 2.76Å; Y77-N79 PolarHBondContact O-ND2 3.25Å |
| 80 | W | 98.3 | Very high | 93.5 | Very high | 127 Ų | 127 | 67.7 Ų | 67.7 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 138.4 | 169.1 | -73.4 | 103.5 | 0 | 0 | 0 | 110.7 | I56 H59 N73 F75 | I56-W80 HydrophobicContact CD1-CH2 3.93Å; I56-W80 HydrophobicContact CD1-CZ2 4.4Å; H59-W80 HydrophobicContact CB-CH2 3.83Å; H59-W80 HydrophobicContact CB-CZ3 3.62Å; H59-W80 AromaticContact CD2-CH2 3.57Å; H59-W80 AromaticContact CD2-CZ3 3.69Å; H59-W80 AromaticContact CE1-CH2 3.94Å; H59-W80 AromaticContact CG-CH2 3.49Å; H59-W80 VanDerWaalsContact CG-CH2 3.49Å; H59-W80 AromaticContact CG-CZ3 3.69Å; H59-W80 AromaticContact ND1-CH2 3.75Å; H59-W80 AromaticContact NE2-CH2 3.86Å; N73-W80 HydrophobicContact CB-CE3 3.79Å; N73-W80 HydrophobicContact CB-CZ3 3.96Å; F75-W80 HydrophobicContact CB-CD2 4.28Å; F75-W80 HydrophobicContact CB-CE3 4Å; F75-W80 HydrophobicContact CB-CH2 4.31Å; F75-W80 HydrophobicContact CB-CZ3 4.01Å; F75-W80 AromaticContact CD2-CD1 3.91Å; F75-W80 AromaticContact CD2-CD2 3.83Å; F75-W80 HydrophobicContact CD2-CD2 3.83Å; F75-W80 AromaticContact CD2-CE2 3.82Å; F75-W80 HydrophobicContact CD2-CE3 4.39Å; F75-W80 AromaticContact CD2-CG 3.91Å; F75-W80 HydrophobicContact CD2-CG 3.91Å; F75-W80 HydrophobicContact CD2-CZ2 4.4Å; F75-W80 AromaticContact CD2-NE1 3.85Å |
| 81 | G | 97.9 | Very high | 93 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | trans | -78.9 | -162.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N73 S74 E83 | N73-G81 PolarHBondContact ND2-O 3.14Å; N73-G81 VanDerWaalsContact OD1-C 3.23Å; N73-G81 WeakPolarHBondContact OD1-CA 3.22Å; N73-G81 PolarHBondContact OD1-N 3.38Å; N73-G81 PolarHBondContact OD1-O 3.39Å; S74-G81 PolarHBondContact O-N 2.8Å; G81-E83 PolarHBondContact O-N 3.43Å | ||
| 82 | S | 97.1 | Very high | 92.4 | Very high | 93 Ų | 93 | 71 Ų | 71 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | trans | -70.4 | 127.2 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | N73 R123 | N73-S82 PolarHBondContact OD1-O 2.95Å; N73-S82 VanDerWaalsContact OD1-O 3.09Å; S82-R123 VanDerWaalsContact O-CZ 3.28Å; S82-R123 PolarHBondContact O-NH1 3.15Å; S82-R123 PolarHBondContact O-NH2 3.24Å | ||
| 83 | E | 98.2 | Very high | 91.9 | Very high | 69 Ų | 69 | 73.4 Ų | 73.4 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | trans | -68.9 | 143 | 175.5 | -69 | -173.7 | 149.5 | 0 | 0 | 112 | R63 V71 N73 G81 R85 | R63-E83 IonicContact NH2-OE1 2.77Å; R63-E83 PolarHBondContact NH2-OE1 3.03Å; V71-E83 HydrophobicContact CG1-CB 4.15Å; V71-E83 HydrophobicContact CG1-CG 3.87Å; N73-E83 WeakPolarHBondContact ND2-CG 3.39Å; G81-E83 PolarHBondContact O-N 3.43Å; E83-R85 HydrophobicContact CB-CG 4.43Å; E83-R85 IonicContact OE2-CZ 3.15Å; E83-R85 IonicContact OE2-NE 3.58Å; E83-R85 PolarHBondContact OE2-NE 2.87Å; E83-R85 IonicContact OE2-NH2 2.66Å; E83-R85 PolarHBondContact OE2-NH2 2.78Å | ||
| 84 | E | 96.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 74.4 Ų | 74.4 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.3 | 165 | -73.6 | 174.9 | -133.5 | 0 | 0 | 108.6 | T72 Y120 R123 | T72-E84 PolarHBondContact N-O 2.88Å; T72-E84 PolarHBondContact O-N 2.86Å; T72-E84 WeakPolarHBondContact OG1-CB 3.38Å; T72-E84 PolarHBondContact OG1-O 2.75Å; E84-Y120 HydrophobicContact CG-CE2 4.49Å; E84-Y120 WeakPolarHBondContact OE1-CE2 3.35Å; E84-R123 IonicContact OE1-CZ 3.86Å; E84-R123 IonicContact OE1-NE 2.66Å; E84-R123 IonicContact OE1-NH2 3.12Å; E84-R123 PolarHBondContact OE1-NH2 2.73Å |
| 85 | R | 95.1 | Very high | 90.7 | Very high | 140 Ų | 140 | 76.9 Ų | 76.9 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.4 | -172.7 | -57.2 | -171.9 | 177.5 | -174.1 | 1.5 | 111.6 | V70 V71 E83 | V70-R85 WeakPolarHBondContact O-CA 3.19Å; V71-R85 HydrophobicContact CG2-CG 4.26Å; E83-R85 HydrophobicContact CB-CG 4.43Å; E83-R85 IonicContact OE2-CZ 3.15Å; E83-R85 IonicContact OE2-NE 3.58Å; E83-R85 PolarHBondContact OE2-NE 2.87Å; E83-R85 IonicContact OE2-NH2 2.66Å; E83-R85 PolarHBondContact OE2-NH2 2.78Å |
| 86 | K | 92 | Very high | 90.2 | Very high | 96 Ų | 96 | 78.5 Ų | 78.5 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113 | 175.4 | -68.5 | -68.1 | -173.2 | 174.7 | 0 | 110.3 | Y69 V70 H88 F117 M118 | Y69-K86 CarbonylContact C-O 3.59Å; Y69-K86 VanDerWaalsContact CA-O 3.25Å; Y69-K86 WeakPolarHBondContact CA-O 3.35Å; Y69-K86 VanDerWaalsContact CB-O 3.29Å; Y69-K86 WeakPolarHBondContact CB-O 3.44Å; V70-K86 PolarHBondContact N-O 2.99Å; V70-K86 PolarHBondContact O-N 3.16Å; K86-H88 VanDerWaalsContact C-N 3.3Å; K86-H88 PolarHBondContact O-N 3.16Å; K86-F117 HydrophobicContact CB-CE1 4.39Å; K86-F117 HydrophobicContact CB-CE2 4.12Å; K86-F117 HydrophobicContact CB-CZ 3.57Å; K86-F117 HydrophobicContact CG-CE1 4.42Å; K86-F117 HydrophobicContact CG-CZ 3.99Å; K86-M118 HydrophobicContact CG-SD 4.25Å |
| 87 | Q | 84.3 | Confident | 89.9 | Confident | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -76.2 | -9.3 | -171.6 | -62.6 | -61.9 | -23.3 | 0 | 0 | 115.1 | P68 | P68-Q87 VanDerWaalsContact O-O 3.11Š|
| 88 | H | 79 | Confident | 89.7 | Confident | 167 Ų | 167 | 67.7 Ų | 67.7 | 77% | 0.773 | 38% | 0.378 | S | S | * | . | trans | -115.9 | 78.8 | 178.7 | -62.6 | -53.4 | 0 | 0 | 0 | 109.6 | K86 P90 F117 | K86-H88 VanDerWaalsContact C-N 3.3Å; K86-H88 PolarHBondContact O-N 3.16Å; H88-P90 WeakPolarHBondContact O-CD 3.44Å; H88-F117 WeakPolarHBondContact O-CE2 3.39Å | ||
| 89 | A | 74.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | trans | -72.8 | 116.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | P68 V70 L91 | P68-A89 HydrophobicContact CB-CB 4.21Å; P68-A89 PolarHBondContact O-N 3.06Å; V70-A89 HydrophobicContact CG2-CB 3.76Å; A89-L91 PolarHBondContact O-N 3.02Å | ||
| 90 | P | 82.3 | Confident | 89.7 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 29% | 0.292 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -77.2 | 36.9 | 176.2 | 34.1 | -37.8 | 0 | 0 | 0 | 112.4 | H88 V112 N113 F117 | H88-P90 WeakPolarHBondContact O-CD 3.44Å; P90-V112 HydrophobicContact CB-CB 4.3Å; P90-V112 HydrophobicContact CB-CG1 4.13Å; P90-V112 HydrophobicContact CG-CB 3.54Å; P90-V112 HydrophobicContact CG-CG1 3.72Å; P90-V112 HydrophobicContact CG-CG2 3.94Å; P90-V112 WeakPolarHBondContact O-CG1 3.44Å; P90-N113 PolarHBondContact O-ND2 3.4Å; P90-F117 VanDerWaalsContact CD-CD2 3.46Å; P90-F117 HydrophobicContact CG-CD2 3.63Å; P90-F117 HydrophobicContact CG-CE2 4Å; P90-F117 HydrophobicContact CG-CG 4.2Å |
| 91 | L | 85.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -130.8 | 70.2 | -175.1 | -67.5 | 167.8 | 0 | 0 | 0 | 110.3 | V35 F42 F60 P62 Y64 A89 F97 V112 | V35-L91 HydrophobicContact CG2-CB 4.36Å; F42-L91 HydrophobicContact CZ-CD1 4.27Å; F60-L91 HydrophobicContact CE1-CD1 3.85Å; F60-L91 HydrophobicContact CZ-CD1 3.99Å; P62-L91 HydrophobicContact CB-CD1 4Å; P62-L91 HydrophobicContact CG-CD1 3.4Å; P62-L91 VanDerWaalsContact CG-CD1 3.4Å; Y64-L91 WeakPolarHBondContact CE1-O 3.23Å; Y64-L91 WeakPolarHBondContact OH-CB 3Å; Y64-L91 PolarHBondContact OH-O 3.49Å; A89-L91 PolarHBondContact O-N 3.02Å; L91-F97 HydrophobicContact CD2-CB 3.29Å; L91-F97 HydrophobicContact CD2-CD1 4.23Å; L91-F97 HydrophobicContact CD2-CD2 3.84Å; L91-F97 HydrophobicContact CD2-CG 3.53Å; L91-V112 HydrophobicContact CD2-CG1 3.55Å; L91-V112 HydrophobicContact CG-CG1 3.93Å | ||
| 92 | P | 85.8 | Confident | 89.5 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | trans | -62.6 | 140.8 | -179.3 | -18.9 | 32 | 0 | 0 | 0 | 111.8 | S95 | P92-S95 WeakPolarHBondContact O-CB 3.3Å; P92-S95 PolarHBondContact O-N 3.12Å | ||
| 93 | A | 88.3 | Confident | 89.4 | Confident | 51 Ų | 51 | 51 Ų | 51 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 138.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V35 V39 Y64 S95 | V35-A93 HydrophobicContact CG1-CB 4.31Å; V39-A93 HydrophobicContact CG1-CB 4.41Å; Y64-A93 HydrophobicContact CD1-CB 4.34Å; Y64-A93 HydrophobicContact CE1-CB 4.28Å; A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.07Å |
| 94 | G | 85.9 | Confident | 89.1 | Confident | 24 Ų | 24 | 49 Ų | 49 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -12.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | R34 V35 | R34-G94 PolarHBondContact NE-O 2.86Å; R34-G94 VanDerWaalsContact NE-O 3.09Å; V35-G94 CarbonylContact O-C 3.56Å; V35-G94 WeakPolarHBondContact O-CA 3.37Å; V35-G94 PolarHBondContact O-N 3.09Å |
| 95 | S | 86.2 | Confident | 88.7 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | trans | -94.6 | 151.8 | -176.2 | -63.1 | 0 | 0 | 0 | 0 | 113 | V35 P92 A93 | V35-S95 PolarHBondContact N-O 3.32Å; P92-S95 WeakPolarHBondContact O-CB 3.3Å; P92-S95 PolarHBondContact O-N 3.12Å; A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.07Å | ||
| 96 | N | 88.2 | Confident | 88.3 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 150.7 | 167.5 | -66.1 | -1.6 | 0 | 0 | 0 | 109.8 | G33 R34 | G33-N96 CarbonylContact O-C 3.6Å; G33-N96 VanDerWaalsContact O-CA 3.27Å; G33-N96 WeakPolarHBondContact O-CA 3.21Å; R34-N96 WeakPolarHBondContact CB-OD1 3.28Å; R34-N96 WeakPolarHBondContact CG-OD1 3.46Å |
| 97 | F | 88.2 | Confident | 88.4 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.9 | 176.1 | 71.9 | -88.4 | 0 | 0 | 0 | 112.1 | I31 S32 G33 V35 F42 L91 L99 N113 V138 I140 | I31-F97 HydrophobicContact CG2-CE2 4.3Å; S32-F97 WeakPolarHBondContact CA-O 3.36Å; G33-F97 PolarHBondContact N-O 2.86Å; G33-F97 WeakPolarHBondContact O-CD1 3.42Å; G33-F97 PolarHBondContact O-N 3.02Å; V35-F97 HydrophobicContact CG2-CD1 3.76Å; V35-F97 HydrophobicContact CG2-CE1 4.16Å; F42-F97 HydrophobicContact CE2-CZ 4.18Å; F42-F97 HydrophobicContact CZ-CE1 4.25Å; F42-F97 HydrophobicContact CZ-CZ 4.08Å; L91-F97 HydrophobicContact CD2-CB 3.29Å; L91-F97 HydrophobicContact CD2-CD1 4.23Å; L91-F97 HydrophobicContact CD2-CD2 3.84Å; L91-F97 HydrophobicContact CD2-CG 3.53Å; F97-L99 HydrophobicContact CD2-CB 4.06Å; F97-L99 HydrophobicContact CE2-CB 4.03Å; F97-N113 VanDerWaalsContact CA-OD1 3.24Å; F97-N113 WeakPolarHBondContact CA-OD1 3.15Å; F97-V138 HydrophobicContact CE1-CG2 3.64Å; F97-V138 HydrophobicContact CZ-CG2 3.85Å; F97-I140 HydrophobicContact CZ-CD1 4.02Å |
| 98 | T | 89.7 | Confident | 89.1 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.1 | 160.8 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | I30 I31 S32 V112 N113 | I30-T98 HydrophobicContact CG2-CG2 3.68Å; I31-T98 CarbonylContact O-C 3.5Å; I31-T98 WeakPolarHBondContact O-CA 3.3Å; S32-T98 PolarHBondContact OG-OG1 2.78Å; T98-V112 CarbonylContact O-C 3.53Å; T98-V112 VanDerWaalsContact O-CA 3.32Å; T98-V112 WeakPolarHBondContact O-CA 3.24Å; T98-N113 PolarHBondContact N-OD1 3.17Å; T98-N113 PolarHBondContact O-N 2.99Å |
| 99 | L | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.7 | 172.4 | 170.5 | 65.6 | 0 | 0 | 0 | 107.9 | I30 I31 V44 F60 F97 I101 V110 V112 | I30-L99 CarbonylContact C-O 3.59Å; I30-L99 WeakPolarHBondContact CA-O 3.2Å; I31-L99 HydrophobicContact CB-CB 4.31Å; I31-L99 HydrophobicContact CD1-CD2 4.22Å; I31-L99 HydrophobicContact CD1-CG 4.26Å; I31-L99 PolarHBondContact N-O 3.37Å; I31-L99 PolarHBondContact O-N 2.71Å; V44-L99 HydrophobicContact CB-CD2 4.39Å; V44-L99 HydrophobicContact CG2-CD2 4.02Å; F60-L99 HydrophobicContact CD1-CD1 4.45Å; F60-L99 HydrophobicContact CD1-CD2 3.73Å; F60-L99 HydrophobicContact CE1-CD1 4.04Å; F60-L99 HydrophobicContact CE1-CD2 3.85Å; F60-L99 HydrophobicContact CE2-CD1 4.18Å; F60-L99 HydrophobicContact CG-CD2 4.33Å; F60-L99 HydrophobicContact CZ-CD1 3.89Å; F97-L99 HydrophobicContact CD2-CB 4.06Å; F97-L99 HydrophobicContact CE2-CB 4.03Å; L99-I101 HydrophobicContact CD1-CG1 4.34Å; L99-I101 HydrophobicContact CD2-CD1 4.31Å; L99-I101 HydrophobicContact CG-CD1 4.5Å; L99-I101 HydrophobicContact CG-CG1 4.21Å; L99-V110 HydrophobicContact CD1-CG1 3.53Å; L99-V112 HydrophobicContact CD1-CG2 3.99Å |
| 100 | Q | 94.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.3 | 172.5 | -179.5 | 176.6 | -41.3 | 0 | 0 | 109.5 | I29 I30 T102 V110 S111 | I29-Q100 WeakPolarHBondContact O-CA 3.48Å; I30-Q100 HydrophobicContact CG1-CB 4.35Å; I30-Q100 HydrophobicContact CG1-CG 3.95Å; Q100-T102 PolarHBondContact NE2-OG1 2.79Å; Q100-V110 WeakPolarHBondContact O-CA 3.47Å; Q100-S111 PolarHBondContact N-O 2.76Å; Q100-S111 PolarHBondContact O-N 2.89Å |
| 101 | I | 98.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 105.8 | 174.9 | -53.3 | 167.9 | 0 | 0 | 0 | 107.2 | S28 I29 I31 V44 L46 F58 L99 Y108 | S28-I101 CarbonylContact C-O 3.55Å; S28-I101 WeakPolarHBondContact CA-O 3.32Å; I29-I101 PolarHBondContact N-O 2.77Å; I29-I101 PolarHBondContact O-N 2.88Å; I31-I101 HydrophobicContact CD1-CD1 4.23Å; V44-I101 HydrophobicContact CG1-CD1 4.45Å; L46-I101 HydrophobicContact CD1-CD1 4.36Å; L46-I101 HydrophobicContact CD1-CG2 4.04Å; F58-I101 HydrophobicContact CD1-CD1 4.14Å; F58-I101 HydrophobicContact CD1-CG2 4.32Å; F58-I101 HydrophobicContact CE1-CD1 3.88Å; F58-I101 HydrophobicContact CE1-CG1 4.24Å; F58-I101 HydrophobicContact CE1-CG2 4.24Å; L99-I101 HydrophobicContact CD1-CG1 4.34Å; L99-I101 HydrophobicContact CD2-CD1 4.31Å; L99-I101 HydrophobicContact CG-CD1 4.5Å; L99-I101 HydrophobicContact CG-CG1 4.21Å; I101-Y108 HydrophobicContact CG2-CD1 3.92Å; I101-Y108 HydrophobicContact CG2-CG 4.24Å |
| 102 | T | 94.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.3 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | S28 Q100 Y108 Q109 | S28-T102 PolarHBondContact OG-OG1 2.88Å; S28-T102 VanDerWaalsContact OG-OG1 3.13Å; Q100-T102 PolarHBondContact NE2-OG1 2.79Å; T102-Y108 WeakPolarHBondContact O-CA 3.46Å; T102-Q109 PolarHBondContact N-O 2.86Å; T102-Q109 PolarHBondContact O-N 3.4Å |
| 103 | V | 94.7 | Very high | 91 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 121.1 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | L23 Q24 G26 K27 Y108 F126 | L23-V103 HydrophobicContact CB-CG2 4.16Å; L23-V103 HydrophobicContact CD1-CG2 3.86Å; L23-V103 HydrophobicContact CD2-CG2 4Å; L23-V103 HydrophobicContact CG-CG2 4.26Å; Q24-V103 WeakPolarHBondContact O-CB 3.29Å; G26-V103 WeakPolarHBondContact CA-O 3.39Å; G26-V103 PolarHBondContact N-O 2.85Å; K27-V103 WeakPolarHBondContact O-CG2 3.44Å; K27-V103 PolarHBondContact O-N 3.43Å; V103-Y108 HydrophobicContact CG2-CD1 4.17Å; V103-Y108 HydrophobicContact CG2-CE1 4.12Å; V103-F126 HydrophobicContact CG1-CB 4.18Å; V103-F126 HydrophobicContact CG1-CD1 4.04Å; V103-F126 HydrophobicContact CG1-CD2 3.79Å; V103-F126 HydrophobicContact CG1-CE1 4.34Å; V103-F126 HydrophobicContact CG1-CE2 4.13Å; V103-F126 HydrophobicContact CG1-CG 3.74Å; V103-F126 HydrophobicContact CG1-CZ 4.38Å |
| 104 | T | 91.5 | Very high | 90.2 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | trans | -105.2 | 175.9 | 166.1 | 79.8 | 0 | 0 | 0 | 0 | 109.4 | D106 F107 Q109 H122 | T104-D106 PolarHBondContact O-N 2.9Å; T104-D106 PolarHBondContact OG1-N 2.78Å; T104-F107 HydrophobicContact CG2-CD2 4.1Å; T104-F107 HydrophobicContact CG2-CE2 3.77Å; T104-F107 HydrophobicContact CG2-CZ 4.14Å; T104-F107 PolarHBondContact N-O 2.74Å; T104-F107 WeakPolarHBondContact OG1-CG 3.38Å; T104-F107 PolarHBondContact OG1-N 2.79Å; T104-F107 PolarHBondContact OG1-O 2.85Å; T104-Q109 HydrophobicContact CG2-CB 4.27Å; T104-H122 PolarHBondContact O-NE2 3.13Å | ||
| 105 | R | 89.3 | Confident | 89.6 | Confident | 178 Ų | 178 | 39.2 Ų | 39.2 | 67% | 0.672 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -55.2 | -39.8 | 174.1 | -174.9 | 175.9 | 174.8 | 166.9 | -0.3 | 113 | H122 | R105-H122 PolarHBondContact O-CD2 3.31Š|
| 106 | D | 85.4 | Confident | 89.5 | Confident | 105 Ų | 105 | 41.8 Ų | 41.8 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -112.9 | -19.7 | -166.8 | -58.4 | -48.1 | 0 | 0 | 0 | 113.8 | T104 H122 | T104-D106 PolarHBondContact O-N 2.9Å; T104-D106 PolarHBondContact OG1-N 2.78Å; D106-H122 PolarHBondContact O-CD2 3.36Å; D106-H122 PolarHBondContact O-N 2.85Å; D106-H122 VanDerWaalsContact O-N 3.16Å |
| 107 | F | 95.6 | Very high | 89.5 | Confident | 52 Ų | 52 | 40 Ų | 40 | 23% | 0.228 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 167.4 | -176.9 | 53.7 | -92.6 | 0 | 0 | 0 | 113.5 | T104 Q109 D119 Y120 H122 | T104-F107 HydrophobicContact CG2-CD2 4.1Å; T104-F107 HydrophobicContact CG2-CE2 3.77Å; T104-F107 HydrophobicContact CG2-CZ 4.14Å; T104-F107 PolarHBondContact N-O 2.74Å; T104-F107 WeakPolarHBondContact OG1-CG 3.38Å; T104-F107 PolarHBondContact OG1-N 2.79Å; T104-F107 PolarHBondContact OG1-O 2.85Å; F107-Q109 HydrophobicContact CD2-CB 4.2Å; F107-Q109 HydrophobicContact CE2-CB 3.93Å; F107-Q109 HydrophobicContact CE2-CG 4.46Å; F107-D119 HydrophobicContact CB-CB 4.47Å; F107-D119 HydrophobicContact CD2-CB 3.61Å; F107-D119 HydrophobicContact CE2-CB 3.95Å; F107-D119 WeakPolarHBondContact CE2-OD1 3.2Å; F107-D119 HydrophobicContact CG-CB 4.08Å; F107-Y120 CarbonylContact C-O 3.52Å; F107-Y120 VanDerWaalsContact CA-O 3.26Å; F107-Y120 WeakPolarHBondContact CA-O 3.41Å; F107-Y120 VanDerWaalsContact CB-O 3.25Å; F107-Y120 WeakPolarHBondContact CB-O 3.43Å; F107-H122 VanDerWaalsContact C-NE2 3.34Å; F107-H122 WeakPolarHBondContact CA-NE2 3.47Å; F107-H122 PolarHBondContact N-CD2 3.4Å; F107-H122 VanDerWaalsContact N-CD2 3.29Å; F107-H122 PolarHBondContact N-NE2 3.05Å; F107-H122 PolarHBondContact O-CE1 3.29Å; F107-H122 PolarHBondContact O-NE2 3.3Å |
| 108 | Y | 98 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.1 | 160.1 | -58.2 | -75.3 | 0 | 0 | 0 | 109 | L23 L46 F58 I101 T102 V103 D119 Y120 H122 F126 | L23-Y108 HydrophobicContact CD1-CE1 3.7Å; L46-Y108 HydrophobicContact CD1-CD1 4.22Å; L46-Y108 HydrophobicContact CD1-CE1 3.92Å; F58-Y108 HydrophobicContact CB-CD2 3.91Å; F58-Y108 HydrophobicContact CB-CE2 3.7Å; F58-Y108 HydrophobicContact CD1-CD2 4.48Å; F58-Y108 HydrophobicContact CD1-CG 4.47Å; F58-Y108 HydrophobicContact CD2-CD2 4.37Å; F58-Y108 HydrophobicContact CG-CD2 4.02Å; F58-Y108 HydrophobicContact CG-CE2 4.33Å; F58-Y108 HydrophobicContact CG-CG 4.46Å; I101-Y108 HydrophobicContact CG2-CD1 3.92Å; I101-Y108 HydrophobicContact CG2-CG 4.24Å; T102-Y108 WeakPolarHBondContact O-CA 3.46Å; V103-Y108 HydrophobicContact CG2-CD1 4.17Å; V103-Y108 HydrophobicContact CG2-CE1 4.12Å; Y108-D119 CarbonylContact O-C 3.28Å; Y108-D119 WeakPolarHBondContact O-CA 3.47Å; Y108-Y120 HydrophobicContact CD2-CD1 4.02Å; Y108-Y120 PolarHBondContact N-O 2.84Å; Y108-Y120 PolarHBondContact O-N 2.83Å; Y108-H122 AromaticContact CD1-CE1 3.8Å; Y108-H122 AromaticContact CD2-CE1 3.79Å; Y108-H122 AromaticContact CD2-ND1 3.51Å; Y108-H122 AromaticContact CE1-CE1 3.71Å; Y108-H122 AromaticContact CE1-ND1 3.98Å; Y108-H122 AromaticContact CE2-CE1 3.73Å; Y108-H122 AromaticContact CE2-ND1 3.2Å; Y108-H122 WeakPolarHBondContact CE2-ND1 3.43Å; Y108-H122 AromaticContact CG-CE1 3.84Å; Y108-H122 AromaticContact CZ-CE1 3.69Å; Y108-H122 AromaticContact CZ-ND1 3.46Å; Y108-F126 HydrophobicContact CE1-CB 4.4Å |
| 109 | Q | 96.3 | Very high | 90.1 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.2 | 169.8 | -171.9 | -176.9 | -65.9 | 0 | 0 | 108.5 | T102 T104 F107 | T102-Q109 PolarHBondContact N-O 2.86Å; T102-Q109 PolarHBondContact O-N 3.4Å; T104-Q109 HydrophobicContact CG2-CB 4.27Å; F107-Q109 HydrophobicContact CD2-CB 4.2Å; F107-Q109 HydrophobicContact CE2-CB 3.93Å; F107-Q109 HydrophobicContact CE2-CG 4.46Å |
| 110 | V | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.2 | -176 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | F58 F60 L99 Q100 F117 M118 | F58-V110 HydrophobicContact CE1-CG2 3.98Å; F58-V110 HydrophobicContact CZ-CG2 3.67Å; F60-V110 HydrophobicContact CD2-CG1 4.32Å; F60-V110 HydrophobicContact CE2-CG1 3.9Å; L99-V110 HydrophobicContact CD1-CG1 3.53Å; Q100-V110 WeakPolarHBondContact O-CA 3.47Å; V110-F117 HydrophobicContact CG1-CD1 4.22Å; V110-F117 WeakPolarHBondContact O-CA 3.48Å; V110-F117 WeakPolarHBondContact O-CB 3.49Å; V110-F117 PolarHBondContact O-N 3.12Å; V110-M118 WeakPolarHBondContact CA-O 3.38Å; V110-M118 HydrophobicContact CB-CG 3.96Å; V110-M118 WeakPolarHBondContact CB-O 3.45Å; V110-M118 HydrophobicContact CG2-CG 4.14Å; V110-M118 PolarHBondContact N-O 2.84Å; V110-M118 PolarHBondContact O-N 3.08Å; V110-M118 VanDerWaalsContact O-N 3.17Å |
| 111 | S | 86.3 | Confident | 90.2 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.4 | 172.4 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | Q100 S115 | Q100-S111 PolarHBondContact N-O 2.76Å; Q100-S111 PolarHBondContact O-N 2.89Å; S111-S115 CarbonylContact C-O 3.54Å; S111-S115 WeakPolarHBondContact CA-O 3.47Å; S111-S115 VanDerWaalsContact CB-O 3.3Å; S111-S115 WeakPolarHBondContact CB-O 3.28Å |
| 112 | V | 85.9 | Confident | 90.1 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.1 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | F60 P90 L91 T98 L99 G114 S115 F117 | F60-V112 HydrophobicContact CZ-CG2 4.39Å; P90-V112 HydrophobicContact CB-CB 4.3Å; P90-V112 HydrophobicContact CB-CG1 4.13Å; P90-V112 HydrophobicContact CG-CB 3.54Å; P90-V112 HydrophobicContact CG-CG1 3.72Å; P90-V112 HydrophobicContact CG-CG2 3.94Å; P90-V112 WeakPolarHBondContact O-CG1 3.44Å; L91-V112 HydrophobicContact CD2-CG1 3.55Å; L91-V112 HydrophobicContact CG-CG1 3.93Å; T98-V112 CarbonylContact O-C 3.53Å; T98-V112 VanDerWaalsContact O-CA 3.32Å; T98-V112 WeakPolarHBondContact O-CA 3.24Å; L99-V112 HydrophobicContact CD1-CG2 3.99Å; V112-G114 PolarHBondContact O-N 2.77Å; V112-S115 PolarHBondContact N-O 3.04Å; V112-S115 PolarHBondContact O-N 2.84Å; V112-F117 HydrophobicContact CG2-CB 4.08Å; V112-F117 HydrophobicContact CG2-CD1 4.31Å; V112-F117 HydrophobicContact CG2-CG 4.19Å |
| 113 | N | 82.6 | Confident | 90.3 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.2 | -178.7 | -59.7 | -29.1 | 0 | 0 | 0 | 113.3 | P90 F97 T98 S115 | P90-N113 PolarHBondContact O-ND2 3.4Å; F97-N113 VanDerWaalsContact CA-OD1 3.24Å; F97-N113 WeakPolarHBondContact CA-OD1 3.15Å; T98-N113 PolarHBondContact N-OD1 3.17Å; T98-N113 PolarHBondContact O-N 2.99Å; N113-S115 VanDerWaalsContact C-N 3.25Å; N113-S115 PolarHBondContact O-N 2.8Å |
| 114 | G | 72.3 | Confident | 90.3 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -9.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | V112 | V112-G114 PolarHBondContact O-N 2.77Š|
| 115 | S | 73.6 | Confident | 90.4 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 56% | 0.559 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 139.9 | 176.7 | -64.4 | 0 | 0 | 0 | 0 | 111 | S111 V112 N113 F117 | S111-S115 CarbonylContact C-O 3.54Å; S111-S115 WeakPolarHBondContact CA-O 3.47Å; S111-S115 VanDerWaalsContact CB-O 3.3Å; S111-S115 WeakPolarHBondContact CB-O 3.28Å; V112-S115 PolarHBondContact N-O 3.04Å; V112-S115 PolarHBondContact O-N 2.84Å; N113-S115 VanDerWaalsContact C-N 3.25Å; N113-S115 PolarHBondContact O-N 2.8Å; S115-F117 PolarHBondContact O-N 3.34Å |
| 116 | H | 84.9 | Confident | 90.8 | Very high | 108 Ų | 108 | 48.8 Ų | 48.8 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 135.1 | 169.3 | 178 | -96.1 | 0 | 0 | 0 | 109.8 | D119 | H116-D119 IonicContact CD2-OD1 2.78Å; H116-D119 IonicContact CE1-OD1 3.98Å; H116-D119 IonicContact CE1-OD2 3.74Å; H116-D119 IonicContact NE2-OD1 3.77Å; H116-D119 PolarHBondContact NE2-OD1 2.79Å; H116-D119 IonicContact NE2-OD2 2.97Å |
| 117 | F | 87.6 | Confident | 91.1 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -51.9 | -178.9 | 175.6 | -117.8 | 0 | 0 | 0 | 111.6 | F60 V70 K86 H88 P90 V110 V112 S115 | F60-F117 HydrophobicContact CE2-CD1 4.02Å; F60-F117 AromaticContact CE2-CE1 3.83Å; F60-F117 HydrophobicContact CE2-CE1 3.83Å; F60-F117 HydrophobicContact CZ-CD1 4.49Å; F60-F117 HydrophobicContact CZ-CE1 4.29Å; V70-F117 HydrophobicContact CB-CE1 3.96Å; V70-F117 HydrophobicContact CB-CZ 3.83Å; V70-F117 HydrophobicContact CG1-CE1 4.14Å; V70-F117 HydrophobicContact CG2-CE1 3.9Å; V70-F117 HydrophobicContact CG2-CZ 3.63Å; K86-F117 HydrophobicContact CB-CE1 4.39Å; K86-F117 HydrophobicContact CB-CE2 4.12Å; K86-F117 HydrophobicContact CB-CZ 3.57Å; K86-F117 HydrophobicContact CG-CE1 4.42Å; K86-F117 HydrophobicContact CG-CZ 3.99Å; H88-F117 WeakPolarHBondContact O-CE2 3.39Å; P90-F117 VanDerWaalsContact CD-CD2 3.46Å; P90-F117 HydrophobicContact CG-CD2 3.63Å; P90-F117 HydrophobicContact CG-CE2 4Å; P90-F117 HydrophobicContact CG-CG 4.2Å; V110-F117 HydrophobicContact CG1-CD1 4.22Å; V110-F117 WeakPolarHBondContact O-CA 3.48Å; V110-F117 WeakPolarHBondContact O-CB 3.49Å; V110-F117 PolarHBondContact O-N 3.12Å; V112-F117 HydrophobicContact CG2-CB 4.08Å; V112-F117 HydrophobicContact CG2-CD1 4.31Å; V112-F117 HydrophobicContact CG2-CG 4.19Å; S115-F117 PolarHBondContact O-N 3.34Å |
| 118 | M | 94.2 | Very high | 91 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 164.6 | 176.9 | 68 | 172.4 | -70.4 | 0 | 0 | 112.5 | T72 K86 V110 Y120 | T72-M118 HydrophobicContact CG2-CE 4.16Å; T72-M118 HydrophobicContact CG2-SD 3.62Å; T72-M118 WeakPolarHBondContact OG1-CE 3.2Å; K86-M118 HydrophobicContact CG-SD 4.25Å; V110-M118 WeakPolarHBondContact CA-O 3.38Å; V110-M118 HydrophobicContact CB-CG 3.96Å; V110-M118 WeakPolarHBondContact CB-O 3.45Å; V110-M118 HydrophobicContact CG2-CG 4.14Å; V110-M118 PolarHBondContact N-O 2.84Å; V110-M118 PolarHBondContact O-N 3.08Å; V110-M118 VanDerWaalsContact O-N 3.17Å; M118-Y120 HydrophobicContact CE-CD2 3.96Å |
| 119 | D | 95.4 | Very high | 91 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131 | 166.8 | -57.3 | -34.7 | 0 | 0 | 0 | 108.9 | F107 Y108 H116 | F107-D119 HydrophobicContact CB-CB 4.47Å; F107-D119 HydrophobicContact CD2-CB 3.61Å; F107-D119 HydrophobicContact CE2-CB 3.95Å; F107-D119 WeakPolarHBondContact CE2-OD1 3.2Å; F107-D119 HydrophobicContact CG-CB 4.08Å; Y108-D119 CarbonylContact O-C 3.28Å; Y108-D119 WeakPolarHBondContact O-CA 3.47Å; H116-D119 IonicContact CD2-OD1 2.78Å; H116-D119 IonicContact CE1-OD1 3.98Å; H116-D119 IonicContact CE1-OD2 3.74Å; H116-D119 IonicContact NE2-OD1 3.77Å; H116-D119 PolarHBondContact NE2-OD1 2.79Å; H116-D119 IonicContact NE2-OD2 2.97Å |
| 120 | Y | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 109.7 | 176.8 | -170.8 | -97.2 | 0 | 0 | 0 | 109.9 | F58 N73 S74 E84 F107 Y108 M118 R123 | F58-Y120 AromaticContact CD2-CD1 3.42Å; F58-Y120 HydrophobicContact CD2-CD1 3.42Å; F58-Y120 VanDerWaalsContact CD2-CD1 3.42Å; F58-Y120 HydrophobicContact CD2-CD2 4.25Å; F58-Y120 AromaticContact CD2-CE1 3.87Å; F58-Y120 HydrophobicContact CD2-CE1 3.87Å; F58-Y120 AromaticContact CD2-CG 3.61Å; F58-Y120 HydrophobicContact CD2-CG 3.61Å; F58-Y120 AromaticContact CE2-CD1 3.91Å; F58-Y120 HydrophobicContact CE2-CD1 3.91Å; F58-Y120 HydrophobicContact CE2-CD2 4.02Å; F58-Y120 AromaticContact CE2-CG 3.57Å; F58-Y120 HydrophobicContact CE2-CG 3.57Å; F58-Y120 HydrophobicContact CG-CD1 4.35Å; N73-Y120 VanDerWaalsContact CA-OH 3.26Å; N73-Y120 WeakPolarHBondContact CA-OH 3.38Å; S74-Y120 PolarHBondContact N-OH 2.95Å; S74-Y120 VanDerWaalsContact N-OH 3.14Å; S74-Y120 PolarHBondContact OG-OH 2.75Å; S74-Y120 VanDerWaalsContact OG-OH 3.08Å; E84-Y120 HydrophobicContact CG-CE2 4.49Å; E84-Y120 WeakPolarHBondContact OE1-CE2 3.35Å; F107-Y120 CarbonylContact C-O 3.52Å; F107-Y120 VanDerWaalsContact CA-O 3.26Å; F107-Y120 WeakPolarHBondContact CA-O 3.41Å; F107-Y120 VanDerWaalsContact CB-O 3.25Å; F107-Y120 WeakPolarHBondContact CB-O 3.43Å; Y108-Y120 HydrophobicContact CD2-CD1 4.02Å; Y108-Y120 PolarHBondContact N-O 2.84Å; Y108-Y120 PolarHBondContact O-N 2.83Å; M118-Y120 HydrophobicContact CE-CD2 3.96Å; Y120-R123 HydrophobicContact CE1-CG 4.35Å; Y120-R123 WeakPolarHBondContact OH-CD 3.33Å; Y120-R123 PolarHBondContact OH-NE 3.05Å; Y120-R123 PolarHBondContact OH-NH1 3.37Å |
| 121 | R | 95.1 | Very high | 91 | Very high | 200 Ų | 200 | 52.6 Ų | 52.6 | 76% | 0.755 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 140 | -179.1 | -67.4 | -171.8 | -165 | 159.2 | 4.2 | 111.1 | R123 | R121-R123 PolarHBondContact O-N 3.38Å; R121-R123 VanDerWaalsContact O-N 3.12Å |
| 122 | H | 95.6 | Very high | 91.6 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | trans | -61.6 | 116.7 | 177.9 | -62.7 | -46.1 | 0 | 0 | 0 | 110.1 | T104 R105 D106 F107 Y108 F126 | T104-H122 PolarHBondContact O-NE2 3.13Å; R105-H122 PolarHBondContact O-CD2 3.31Å; D106-H122 PolarHBondContact O-CD2 3.36Å; D106-H122 PolarHBondContact O-N 2.85Å; D106-H122 VanDerWaalsContact O-N 3.16Å; F107-H122 VanDerWaalsContact C-NE2 3.34Å; F107-H122 WeakPolarHBondContact CA-NE2 3.47Å; F107-H122 PolarHBondContact N-CD2 3.4Å; F107-H122 VanDerWaalsContact N-CD2 3.29Å; F107-H122 PolarHBondContact N-NE2 3.05Å; F107-H122 PolarHBondContact O-CE1 3.29Å; F107-H122 PolarHBondContact O-NE2 3.3Å; Y108-H122 AromaticContact CD1-CE1 3.8Å; Y108-H122 AromaticContact CD2-CE1 3.79Å; Y108-H122 AromaticContact CD2-ND1 3.51Å; Y108-H122 AromaticContact CE1-CE1 3.71Å; Y108-H122 AromaticContact CE1-ND1 3.98Å; Y108-H122 AromaticContact CE2-CE1 3.73Å; Y108-H122 AromaticContact CE2-ND1 3.2Å; Y108-H122 WeakPolarHBondContact CE2-ND1 3.43Å; Y108-H122 AromaticContact CG-CE1 3.84Å; Y108-H122 AromaticContact CZ-CE1 3.69Å; Y108-H122 AromaticContact CZ-ND1 3.46Å; H122-F126 AromaticContact CD2-CD1 3.59Å; H122-F126 AromaticContact CE1-CD1 3.87Å; H122-F126 AromaticContact NE2-CD1 3.39Å; H122-F126 WeakPolarHBondContact NE2-CD1 3.33Å; H122-F126 AromaticContact NE2-CE1 3.99Å | ||
| 123 | R | 97.5 | Very high | 92.2 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 30% | 0.298 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -97.7 | -17.2 | 170.4 | -56.1 | -171.5 | -175.4 | 173.1 | 4.8 | 112.7 | N73 Q76 S82 E84 Y120 R121 | N73-R123 PolarHBondContact OD1-NH1 2.79Å; N73-R123 VanDerWaalsContact OD1-NH1 3.1Å; Q76-R123 PolarHBondContact NE2-O 2.93Å; Q76-R123 VanDerWaalsContact NE2-O 3.09Å; S82-R123 VanDerWaalsContact O-CZ 3.28Å; S82-R123 PolarHBondContact O-NH1 3.15Å; S82-R123 PolarHBondContact O-NH2 3.24Å; E84-R123 IonicContact OE1-CZ 3.86Å; E84-R123 IonicContact OE1-NE 2.66Å; E84-R123 IonicContact OE1-NH2 3.12Å; E84-R123 PolarHBondContact OE1-NH2 2.73Å; Y120-R123 HydrophobicContact CE1-CG 4.35Å; Y120-R123 WeakPolarHBondContact OH-CD 3.33Å; Y120-R123 PolarHBondContact OH-NE 3.05Å; Y120-R123 PolarHBondContact OH-NH1 3.37Å; R121-R123 PolarHBondContact O-N 3.38Å; R121-R123 VanDerWaalsContact O-N 3.12Å |
| 124 | I | 95.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -125.2 | 139.6 | 170.5 | -53.8 | -174.1 | 0 | 0 | 0 | 106.2 | D55 A57 Q76 F126 | D55-I124 HydrophobicContact CB-CD1 3.8Å; A57-I124 HydrophobicContact CB-CB 3.91Å; A57-I124 HydrophobicContact CB-CD1 4.14Å; A57-I124 HydrophobicContact CB-CG1 4.34Å; A57-I124 HydrophobicContact CB-CG2 4.47Å; Q76-I124 HydrophobicContact CG-CD1 3.46Å; Q76-I124 VanDerWaalsContact CG-CD1 3.46Å; Q76-I124 HydrophobicContact CG-CG1 3.75Å; I124-F126 PolarHBondContact O-N 2.88Å; I124-F126 VanDerWaalsContact O-N 3.13Å |
| 125 | P | 94 | Very high | 94.1 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | trans | -54.8 | 119.8 | 173.7 | -24.8 | 34.7 | 0 | 0 | 0 | 110.7 | Q127 Q128 | P125-Q127 PolarHBondContact O-N 2.86Å; P125-Q128 HydrophobicContact CB-CG 4.39Å; P125-Q128 WeakPolarHBondContact O-CB 3.45Å; P125-Q128 PolarHBondContact O-N 2.97Å | ||
| 126 | F | 96.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.066 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -59.5 | -23.1 | -175.4 | 62.4 | -102.2 | 0 | 0 | 0 | 112.7 | L23 E25 V103 Y108 H122 I124 Q128 V129 | L23-F126 HydrophobicContact CB-CB 4.34Å; L23-F126 HydrophobicContact CB-CD2 4.12Å; L23-F126 WeakPolarHBondContact CB-O 3.32Å; L23-F126 HydrophobicContact CD1-CB 4.24Å; E25-F126 HydrophobicContact CB-CZ 4.46Å; V103-F126 HydrophobicContact CG1-CB 4.18Å; V103-F126 HydrophobicContact CG1-CD1 4.04Å; V103-F126 HydrophobicContact CG1-CD2 3.79Å; V103-F126 HydrophobicContact CG1-CE1 4.34Å; V103-F126 HydrophobicContact CG1-CE2 4.13Å; V103-F126 HydrophobicContact CG1-CG 3.74Å; V103-F126 HydrophobicContact CG1-CZ 4.38Å; Y108-F126 HydrophobicContact CE1-CB 4.4Å; H122-F126 AromaticContact CD2-CD1 3.59Å; H122-F126 AromaticContact CE1-CD1 3.87Å; H122-F126 AromaticContact NE2-CD1 3.39Å; H122-F126 WeakPolarHBondContact NE2-CD1 3.33Å; H122-F126 AromaticContact NE2-CE1 3.99Å; I124-F126 PolarHBondContact O-N 2.88Å; I124-F126 VanDerWaalsContact O-N 3.13Å; F126-Q128 PolarHBondContact O-N 2.85Å; F126-Q128 VanDerWaalsContact O-N 3.16Å; F126-V129 VanDerWaalsContact O-CB 3.28Å; F126-V129 WeakPolarHBondContact O-CB 3.49Å; F126-V129 PolarHBondContact O-N 2.88Å |
| 127 | Q | 93.1 | Very high | 95.5 | Very high | 124 Ų | 124 | 49.3 Ų | 49.3 | 58% | 0.579 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -61.3 | -20.6 | 176.5 | -60.6 | 83.5 | -5.7 | 0 | 0 | 113.2 | P125 V129 | P125-Q127 PolarHBondContact O-N 2.86Å; Q127-V129 VanDerWaalsContact C-N 3.29Å |
| 128 | Q | 92.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -82.1 | -10.8 | 175.9 | -59.8 | -175.9 | 27.3 | 0 | 0 | 112.7 | C48 P125 F126 | C48-Q128 WeakPolarHBondContact CA-O 3.4Å; C48-Q128 HydrophobicContact CB-CB 4.4Å; C48-Q128 WeakPolarHBondContact CB-O 3.49Å; P125-Q128 HydrophobicContact CB-CG 4.39Å; P125-Q128 WeakPolarHBondContact O-CB 3.45Å; P125-Q128 PolarHBondContact O-N 2.97Å; F126-Q128 PolarHBondContact O-N 2.85Å; F126-Q128 VanDerWaalsContact O-N 3.16Å |
| 129 | V | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -87.8 | 122.8 | -176 | 180 | 0 | 0 | 0 | 0 | 110.4 | I19 G22 L23 L46 Q47 A57 F126 Q127 | I19-V129 HydrophobicContact CD1-CG1 4.21Å; G22-V129 WeakPolarHBondContact CA-O 3.18Å; L23-V129 HydrophobicContact CD1-CB 3.63Å; L23-V129 HydrophobicContact CD1-CG1 3.55Å; L23-V129 HydrophobicContact CD1-CG2 4.19Å; L23-V129 HydrophobicContact CG-CB 3.84Å; L23-V129 HydrophobicContact CG-CG1 3.8Å; L23-V129 PolarHBondContact N-O 3.13Å; L46-V129 HydrophobicContact CB-CG1 3.78Å; Q47-V129 WeakPolarHBondContact O-CA 3.49Å; A57-V129 HydrophobicContact CB-CG2 3.34Å; F126-V129 VanDerWaalsContact O-CB 3.28Å; F126-V129 WeakPolarHBondContact O-CB 3.49Å; F126-V129 PolarHBondContact O-N 2.88Å; Q127-V129 VanDerWaalsContact C-N 3.29Å | ||
| 130 | D | 95.4 | Very high | 95.9 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | trans | -136 | -0.7 | -176.4 | 68.6 | 1.2 | 0 | 0 | 0 | 113.3 | S18 I19 Q47 G49 | S18-D130 CarbonylContact C-O 3.57Å; I19-D130 WeakPolarHBondContact CB-O 3.26Å; I19-D130 PolarHBondContact N-O 3.34Å; Q47-D130 PolarHBondContact O-N 3.13Å; Q47-D130 VanDerWaalsContact O-N 3.15Å; G49-D130 WeakPolarHBondContact CA-OD1 3.23Å; G49-D130 PolarHBondContact N-OD1 2.84Å | ||
| 131 | T | 97.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.4 | -171.7 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | T16 G17 Q47 T133 | T16-T131 HydrophobicContact CG2-CG2 3.84Å; G17-T131 WeakPolarHBondContact O-CA 3.44Å; Q47-T131 PolarHBondContact N-O 2.94Å; Q47-T131 PolarHBondContact O-N 3.18Å; T131-T133 HydrophobicContact CG2-CG2 4.21Å |
| 132 | I | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.3 | 168.1 | -179.8 | 164.5 | 0 | 0 | 0 | 109.6 | F15 T16 G17 I19 I29 I31 V44 N45 L46 I143 F145 | F15-I132 HydrophobicContact CE1-CG2 4.35Å; T16-I132 WeakPolarHBondContact CA-O 3.43Å; G17-I132 PolarHBondContact N-O 2.89Å; G17-I132 WeakPolarHBondContact O-CG2 3.17Å; G17-I132 PolarHBondContact O-N 3.16Å; I19-I132 HydrophobicContact CD1-CB 4.3Å; I19-I132 HydrophobicContact CG1-CB 4.4Å; I19-I132 HydrophobicContact CG1-CG2 4.25Å; I29-I132 HydrophobicContact CG2-CD1 3.91Å; I31-I132 HydrophobicContact CD1-CD1 4.3Å; I31-I132 HydrophobicContact CG1-CD1 4.24Å; V44-I132 HydrophobicContact CG1-CD1 3.88Å; V44-I132 HydrophobicContact CG1-CG1 4.16Å; N45-I132 WeakPolarHBondContact O-CA 3.5Å; L46-I132 HydrophobicContact CD2-CB 4.19Å; L46-I132 HydrophobicContact CD2-CD1 4.15Å; L46-I132 HydrophobicContact CD2-CG1 4.15Å; I132-I143 HydrophobicContact CD1-CG2 4.06Å; I132-F145 HydrophobicContact CG2-CZ 4.31Å |
| 133 | T | 98.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.3 | 170.7 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | F15 T16 V44 N45 Q47 T131 | F15-T133 CarbonylContact O-C 3.52Å; F15-T133 WeakPolarHBondContact O-CA 3.44Å; F15-T133 WeakPolarHBondContact O-CB 3.2Å; T16-T133 HydrophobicContact CG2-CG2 4.02Å; V44-T133 CarbonylContact C-O 3.57Å; V44-T133 WeakPolarHBondContact CA-O 3.49Å; N45-T133 VanDerWaalsContact CB-OG1 3.31Å; N45-T133 WeakPolarHBondContact CB-OG1 3.31Å; N45-T133 PolarHBondContact N-O 2.88Å; N45-T133 PolarHBondContact ND2-OG1 2.79Å; N45-T133 PolarHBondContact O-N 2.86Å; Q47-T133 HydrophobicContact CG-CG2 4.41Å; Q47-T133 PolarHBondContact NE2-OG1 2.86Å; T131-T133 HydrophobicContact CG2-CG2 4.21Å |
| 134 | V | 98.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.6 | 173.7 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | I13 P14 F15 H43 V44 V138 I140 I143 | I13-V134 HydrophobicContact CD1-CB 3.94Å; I13-V134 HydrophobicContact CD1-CG1 3.92Å; P14-V134 CarbonylContact C-O 3.38Å; P14-V134 WeakPolarHBondContact CA-O 3.18Å; F15-V134 HydrophobicContact CB-CB 4.34Å; F15-V134 HydrophobicContact CD1-CG2 4.49Å; F15-V134 PolarHBondContact N-O 3.12Å; F15-V134 PolarHBondContact O-N 2.88Å; H43-V134 WeakPolarHBondContact O-CA 3.36Å; H43-V134 WeakPolarHBondContact O-CG1 3.24Å; V44-V134 HydrophobicContact CG1-CG2 4.49Å; V44-V134 HydrophobicContact CG2-CG1 4.3Å; V44-V134 HydrophobicContact CG2-CG2 4.24Å; V134-V138 HydrophobicContact CG1-CG1 3.75Å; V134-I140 HydrophobicContact CG1-CD1 4.1Å; V134-I140 HydrophobicContact CG1-CG1 3.94Å; V134-I143 HydrophobicContact CG2-CD1 3.99Å |
| 135 | G | 97.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 170.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F42 H43 | F42-G135 CarbonylContact C-O 3.5Å; F42-G135 VanDerWaalsContact CA-O 3.31Å; F42-G135 WeakPolarHBondContact CA-O 3.43Å; F42-G135 WeakPolarHBondContact CB-O 3.2Å; H43-G135 PolarHBondContact N-O 2.81Å; H43-G135 PolarHBondContact O-N 3.17Å |
| 136 | G | 95.1 | Very high | 93 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 47% | 0.474 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 84 | -162.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I13 V138 | I13-G136 WeakPolarHBondContact CG2-O 3.42Å; G136-V138 PolarHBondContact O-N 2.81Å |
| 137 | R | 92.4 | Very high | 92 | Very high | 153 Ų | 153 | 38.2 Ų | 38.2 | 58% | 0.577 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -94.5 | 90 | -173.3 | -58.3 | -175.4 | 108.4 | 146.7 | 4.3 | 111.4 | I36 V39 R41 | I36-R137 HydrophobicContact CD1-CB 4.32Å; V39-R137 HydrophobicContact CB-CB 4.32Å; V39-R137 HydrophobicContact CG2-CB 3.78Å; V39-R137 WeakPolarHBondContact CG2-O 3.45Å; R41-R137 PolarHBondContact O-N 3.39Å |
| 138 | V | 96.3 | Very high | 90.4 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 148 | 178 | 64.4 | 0 | 0 | 0 | 0 | 109.5 | I13 R34 F42 F97 V134 G136 I140 | I13-V138 HydrophobicContact CG2-CG1 4.45Å; R34-V138 WeakPolarHBondContact O-CG2 3.41Å; F42-V138 HydrophobicContact CB-CB 3.77Å; F42-V138 HydrophobicContact CB-CG1 3.88Å; F42-V138 HydrophobicContact CD1-CB 4.21Å; F42-V138 HydrophobicContact CD1-CG2 4.36Å; F42-V138 HydrophobicContact CD2-CB 3.93Å; F42-V138 HydrophobicContact CD2-CG1 3.93Å; F42-V138 HydrophobicContact CD2-CG2 4.03Å; F42-V138 HydrophobicContact CE1-CG2 4.48Å; F42-V138 HydrophobicContact CE2-CG2 4.16Å; F42-V138 HydrophobicContact CG-CB 3.72Å; F42-V138 HydrophobicContact CG-CG1 4.05Å; F42-V138 HydrophobicContact CG-CG2 4.12Å; F42-V138 HydrophobicContact CZ-CG2 4.37Å; F97-V138 HydrophobicContact CE1-CG2 3.64Å; F97-V138 HydrophobicContact CZ-CG2 3.85Å; V134-V138 HydrophobicContact CG1-CG1 3.75Å; G136-V138 PolarHBondContact O-N 2.81Å; V138-I140 HydrophobicContact CG1-CD1 4.1Å; V138-I140 HydrophobicContact CG1-CG1 4.23Å; V138-I140 HydrophobicContact CG2-CD1 3.82Å |
| 139 | E | 93.4 | Very high | 88.3 | Confident | 97 Ų | 97 | 35.7 Ų | 35.7 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.8 | 168.4 | -69 | 170.5 | 178 | 0 | 0 | 108.2 | G33 R34 I36 | G33-E139 CarbonylContact C-O 3.5Å; G33-E139 WeakPolarHBondContact CA-O 3.36Å; R34-E139 HydrophobicContact CB-CB 4.26Å; R34-E139 PolarHBondContact N-O 3.29Å; R34-E139 IonicContact NH1-OE2 2.83Å; R34-E139 PolarHBondContact O-N 3.42Å; I36-E139 HydrophobicContact CD1-CG 4.07Å; I36-E139 HydrophobicContact CG1-CG 4.01Å |
| 140 | I | 95.8 | Very high | 85.5 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.6 | 177.3 | -58.9 | -58.3 | 0 | 0 | 0 | 108.5 | N10 P11 I13 I31 F97 V134 V138 I143 | N10-I140 WeakPolarHBondContact CA-O 3.42Å; P11-I140 WeakPolarHBondContact CD-O 3.33Å; P11-I140 HydrophobicContact CG-CB 3.98Å; P11-I140 HydrophobicContact CG-CG2 3.68Å; I13-I140 HydrophobicContact CD1-CB 4.22Å; I13-I140 HydrophobicContact CD1-CG1 3.64Å; I13-I140 HydrophobicContact CG1-CG1 4.28Å; I31-I140 HydrophobicContact CG2-CD1 3.74Å; I31-I140 HydrophobicContact CG2-CG2 4.26Å; F97-I140 HydrophobicContact CZ-CD1 4.02Å; V134-I140 HydrophobicContact CG1-CD1 4.1Å; V134-I140 HydrophobicContact CG1-CG1 3.94Å; V138-I140 HydrophobicContact CG1-CD1 4.1Å; V138-I140 HydrophobicContact CG1-CG1 4.23Å; V138-I140 HydrophobicContact CG2-CD1 3.82Å; I140-I143 HydrophobicContact CG2-CD1 4.2Å; I140-I143 HydrophobicContact CG2-CG1 3.77Å |
| 141 | S | 81.9 | Confident | 82.5 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -36.3 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | N10 S32 | N10-S141 PolarHBondContact N-O 3.37Å; S32-S141 WeakPolarHBondContact CB-OG 3.26Å; S32-S141 PolarHBondContact O-N 3.16Å; S32-S141 PolarHBondContact O-OG 3.35Å |
| 142 | S | 87.2 | Confident | 79.4 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 153.8 | 171.9 | 61.9 | 0 | 0 | 0 | 0 | 114.3 | F8 I31 S32 | F8-S142 CarbonylContact O-C 3.6Å; F8-S142 WeakPolarHBondContact O-CA 3.44Å; I31-S142 WeakPolarHBondContact CA-O 3.46Å; S32-S142 PolarHBondContact N-O 3.26Å; S32-S142 PolarHBondContact O-N 3.33Å; S32-S142 VanDerWaalsContact O-N 3.16Å |
| 143 | I | 90.6 | Very high | 76.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 111.4 | 165.7 | -58.7 | 170 | 0 | 0 | 0 | 106.6 | P7 F8 P11 F15 I29 I30 I31 I132 V134 I140 F145 | P7-I143 CarbonylContact C-O 3.45Å; P7-I143 VanDerWaalsContact CA-O 3.24Å; P7-I143 WeakPolarHBondContact CA-O 3.39Å; P7-I143 WeakPolarHBondContact CB-O 3.27Å; F8-I143 HydrophobicContact CB-CB 4.29Å; F8-I143 HydrophobicContact CD2-CB 4.2Å; F8-I143 HydrophobicContact CD2-CG2 4.35Å; F8-I143 PolarHBondContact N-O 2.97Å; F8-I143 PolarHBondContact O-N 2.78Å; P11-I143 HydrophobicContact CG-CD1 4.31Å; F15-I143 HydrophobicContact CD1-CD1 3.51Å; F15-I143 HydrophobicContact CE1-CD1 3.52Å; F15-I143 HydrophobicContact CG-CD1 4.48Å; F15-I143 HydrophobicContact CZ-CD1 4.48Å; I29-I143 HydrophobicContact CG2-CG2 3.92Å; I30-I143 CarbonylContact O-C 3.49Å; I30-I143 WeakPolarHBondContact O-CA 3.46Å; I31-I143 HydrophobicContact CG1-CG1 4.23Å; I31-I143 HydrophobicContact CG1-CG2 4.34Å; I31-I143 HydrophobicContact CG2-CG1 4.26Å; I132-I143 HydrophobicContact CD1-CG2 4.06Å; V134-I143 HydrophobicContact CG2-CD1 3.99Å; I140-I143 HydrophobicContact CG2-CD1 4.2Å; I140-I143 HydrophobicContact CG2-CG1 3.77Å; I143-F145 HydrophobicContact CG2-CE1 4.42Å; I143-F145 HydrophobicContact CG2-CE2 4.21Å; I143-F145 HydrophobicContact CG2-CZ 3.82Å |
| 144 | S | 87.6 | Confident | 73.2 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 156.5 | -179.5 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | I29 I30 | I29-S144 WeakPolarHBondContact CA-O 3.39Å; I30-S144 PolarHBondContact N-O 2.88Å; I30-S144 PolarHBondContact O-N 3.2Å |
| 145 | F | 87.1 | Confident | 70.1 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 10% | 0.096 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.6 | -175.7 | -54.3 | -87.4 | 0 | 0 | 0 | 108.5 | Q5 F8 I19 S28 I29 I132 I143 | Q5-F145 HydrophobicContact CB-CB 4.36Å; Q5-F145 HydrophobicContact CB-CD2 4.05Å; Q5-F145 HydrophobicContact CB-CG 4.38Å; Q5-F145 HydrophobicContact CG-CD2 3.65Å; Q5-F145 HydrophobicContact CG-CE2 4Å; Q5-F145 HydrophobicContact CG-CG 4.37Å; F8-F145 AromaticContact CD2-CE2 3.79Å; F8-F145 HydrophobicContact CD2-CE2 3.79Å; F8-F145 HydrophobicContact CD2-CZ 4.08Å; F8-F145 AromaticContact CE2-CE2 3.62Å; F8-F145 HydrophobicContact CE2-CE2 3.62Å; F8-F145 AromaticContact CE2-CZ 3.75Å; F8-F145 HydrophobicContact CE2-CZ 3.75Å; I19-F145 HydrophobicContact CB-CE1 4.45Å; I19-F145 HydrophobicContact CG1-CE1 4.01Å; I19-F145 HydrophobicContact CG2-CD1 4.22Å; I19-F145 HydrophobicContact CG2-CE1 4.16Å; S28-F145 WeakPolarHBondContact O-CA 3.36Å; I29-F145 HydrophobicContact CD1-CE1 4.25Å; I29-F145 HydrophobicContact CG1-CD1 3.96Å; I29-F145 HydrophobicContact CG1-CE1 4.1Å; I29-F145 HydrophobicContact CG2-CD1 4.3Å; I29-F145 HydrophobicContact CG2-CE1 4.02Å; I132-F145 HydrophobicContact CG2-CZ 4.31Å; I143-F145 HydrophobicContact CG2-CE1 4.42Å; I143-F145 HydrophobicContact CG2-CE2 4.21Å; I143-F145 HydrophobicContact CG2-CZ 3.82Å |
| 146 | S | 80.6 | Confident | 67.1 | Low | 43 Ų | 43 | 80.4 Ų | 80.4 | 30% | 0.301 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.9 | 175.4 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | K27 S28 | K27-S146 CarbonylContact C-O 3.56Å; K27-S146 WeakPolarHBondContact CA-O 3.49Å; S28-S146 PolarHBondContact N-O 2.89Å; S28-S146 PolarHBondContact O-N 2.86Å |
| 147 | T | 75.6 | Confident | 64.2 | Low | 30 Ų | 30 | 83.7 Ų | 83.7 | 18% | 0.184 | 45% | 0.453 | C | S | . | . | trans | -107.2 | 127.2 | 168.9 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | K27 V149 | K27-T147 HydrophobicContact CB-CG2 4.15Å; K27-T147 HydrophobicContact CD-CG2 4.18Å; K27-T147 VanDerWaalsContact CE-CG2 3.45Å; K27-T147 HydrophobicContact CG-CG2 3.84Å; T147-V149 PolarHBondContact O-N 3.05Å | ||
| 148 | P | 59.3 | Low | 61.5 | Low | 79 Ų | 79 | 82.2 Ų | 82.2 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 116.5 | 167.4 | 22 | -28.2 | 0 | 0 | 0 | 107.2 | G26 P150 | G26-P148 WeakPolarHBondContact O-CD 3.18Å; G26-P148 WeakPolarHBondContact O-CG 3.34Å; P148-P150 WeakPolarHBondContact O-CD 3.49Å |
| 149 | V | 48.3 | Very low | 58.5 | Low | 96 Ų | 96 | 91 Ų | 91 | 58% | 0.582 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -65 | 124.3 | 167.4 | -82.4 | 0 | 0 | 0 | 0 | 106.8 | A2 T147 F151 | A2-V149 HydrophobicContact CB-CG1 4.16Å; T147-V149 PolarHBondContact O-N 3.05Å; V149-F151 PolarHBondContact O-N 2.83Å; V149-F151 VanDerWaalsContact O-N 3.08Å |
| 150 | P | 39.4 | Very low | 55.9 | Low | 115 Ų | 115 | 91.7 Ų | 91.7 | 75% | 0.747 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -57 | 120.5 | 163.8 | -15.4 | 28.1 | 0 | 0 | 0 | 106 | P148 | P148-P150 WeakPolarHBondContact O-CD 3.49Š|
| 151 | F | 32.3 | Very low | 53 | Low | 185 Ų | 185 | 95.3 Ų | 95.3 | 81% | 0.811 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 127.4 | 168.2 | -70.3 | -88.9 | 0 | 0 | 0 | 107.1 | V149 Q153 | V149-F151 PolarHBondContact O-N 2.83Å; V149-F151 VanDerWaalsContact O-N 3.08Å; F151-Q153 PolarHBondContact O-N 2.87Å |
| 152 | P | 32.5 | Very low | 50.6 | Low | 114 Ų | 114 | 104.3 Ų | 104.3 | 74% | 0.74 | 59% | 0.592 | S | S | * | * | trans | -60.4 | 115.3 | 164.9 | 15.8 | -13.4 | 0 | 0 | 0 | 105.4 | Q154 | P152-Q154 PolarHBondContact O-N 3.13Š| ||
| 153 | Q | 31.8 | Very low | 48.2 | Very low | 195 Ų | 195 | 108.7 Ų | 108.7 | 91% | 0.911 | 62% | 0.62 | S | S | * | * | trans | -58.6 | 94.5 | 162.9 | -80.6 | 179.7 | -30.8 | 0 | 0 | 106 | F151 A155 | F151-Q153 PolarHBondContact O-N 2.87Å; Q153-A155 VanDerWaalsContact C-N 3.33Å; Q153-A155 PolarHBondContact O-N 3.05Å | ||
| 154 | Q | 34.1 | Very low | 45.6 | Very low | 155 Ų | 155 | 114.3 Ų | 114.3 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | trans | -61.7 | 106.5 | 159.1 | -87.6 | -179.9 | -34.1 | 0 | 0 | 105.4 | P152 F156 | P152-Q154 PolarHBondContact O-N 3.13Å; Q154-F156 WeakPolarHBondContact O-CD2 3.43Å; Q154-F156 PolarHBondContact O-N 2.79Å | ||
| 155 | A | 33.6 | Very low | 43 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -57.9 | 105.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q153 | Q153-A155 VanDerWaalsContact C-N 3.33Å; Q153-A155 PolarHBondContact O-N 3.05Å | ||
| 156 | F | 35.2 | Very low | 40.7 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | trans | -69.3 | 128.1 | 166.9 | -70.2 | -81.6 | 0 | 0 | 0 | 107.6 | Q154 S158 | Q154-F156 WeakPolarHBondContact O-CD2 3.43Å; Q154-F156 PolarHBondContact O-N 2.79Å; F156-S158 PolarHBondContact O-N 3.45Å | ||
| 157 | P | 33.6 | Very low | 38.6 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | trans | -62.5 | 131.6 | 171.9 | 25.3 | -30.8 | 0 | 0 | 0 | 108.7 | Q159 | P157-Q159 PolarHBondContact O-N 2.79Š| ||
| 158 | S | 34.9 | Very low | 36.7 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -59 | 109.4 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | F156 | F156-S158 PolarHBondContact O-N 3.45Š| ||
| 159 | Q | 33.7 | Very low | 35.7 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -95.4 | 137.6 | 162.2 | -77.7 | -169.3 | -9.4 | 0 | 0 | 110.2 | P157 | P157-Q159 PolarHBondContact O-N 2.79Š| ||
| 160 | S | 38.7 | Very low | 35.2 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 136.4 | -172.9 | 40.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 161 | A | 34.9 | Very low | 35.3 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 68.3 | 106.5 | 148 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 162 | F | 32.1 | Very low | 35.9 | Very low | 208 Ų | 208 | 139 Ų | 139 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -138 | 153.3 | 135.3 | -78.3 | -75.1 | 0 | 0 | 0 | 109.3 | ||||
| 163 | P | 35.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 139.8 | -157 | -10.4 | 25.1 | 0 | 0 | 0 | 113.2 | Y165 | P163-Y165 PolarHBondContact O-N 2.87Š|
| 164 | S | 35.6 | Very low | 36.6 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 120.1 | 169.3 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 165 | Y | 32.9 | Very low | 36.8 | Very low | 216 Ų | 216 | 134.1 Ų | 134.1 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 150.2 | 155.8 | -84.3 | -91.6 | 0 | 0 | 0 | 109.6 | P163 G167 | P163-Y165 PolarHBondContact O-N 2.87Å; Y165-G167 PolarHBondContact O-N 2.85Å |
| 166 | P | 39.2 | Very low | 37.1 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 130.8 | -174.6 | -2 | 14.8 | 0 | 0 | 0 | 110.5 | ||
| 167 | G | 36.3 | Very low | 37.5 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y165 | Y165-G167 PolarHBondContact O-N 2.85Š|
| 168 | F | 37.1 | Very low | 38 | Very low | 208 Ų | 208 | 133 Ų | 133 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 131 | 161.3 | -79.3 | -87.8 | 0 | 0 | 0 | 108.8 | ||
| 169 | A | 37 | Very low | 38.3 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q171 | A169-Q171 PolarHBondContact O-N 2.82Š|
| 170 | P | 39.5 | Very low | 38.3 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 119.1 | 176.5 | 24.5 | -22.8 | 0 | 0 | 0 | 108.9 | ||
| 171 | Q | 41.4 | Very low | 38.7 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125.8 | 168.3 | -76 | -155.5 | -50.8 | 0 | 0 | 109.6 | A169 G173 | A169-Q171 PolarHBondContact O-N 2.82Å; Q171-G173 PolarHBondContact O-N 3.24Å |
| 172 | P | 43.1 | Very low | 39.4 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 116.6 | 172.1 | 28.3 | -26.1 | 0 | 0 | 0 | 108.6 | ||
| 173 | G | 41.9 | Very low | 40.6 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.9 | -8.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | Q171 | Q171-G173 PolarHBondContact O-N 3.24Š|
| 174 | F | 37.4 | Very low | 41.9 | Very low | 178 Ų | 178 | 123 Ų | 123 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -106.2 | 121.6 | 178.7 | -68.4 | -78.9 | 0 | 0 | 0 | 111.3 | ||||
| 175 | P | 38.9 | Very low | 44.3 | Very low | 114 Ų | 114 | 119 Ų | 119 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 141.5 | 171.4 | 25.3 | -30.3 | 0 | 0 | 0 | 109.2 | Q177 | P175-Q177 PolarHBondContact O-N 3.18Š|
| 176 | A | 39.7 | Very low | 46.8 | Very low | 99 Ų | 99 | 114 Ų | 114 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 116.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 177 | Q | 44.3 | Very low | 49.3 | Very low | 148 Ų | 148 | 110.4 Ų | 110.4 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136.2 | 174.6 | -87.7 | -176.6 | -73.2 | 0 | 0 | 109 | P175 G179 | P175-Q177 PolarHBondContact O-N 3.18Å; Q177-G179 PolarHBondContact O-N 2.91Å |
| 178 | P | 43.6 | Very low | 52.1 | Low | 115 Ų | 115 | 111.1 Ų | 111.1 | 75% | 0.747 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.9 | 167.6 | -18 | 29.2 | 0 | 0 | 0 | 108.3 | F180 | P178-F180 PolarHBondContact O-N 2.88Å; P178-F180 VanDerWaalsContact O-N 3.13Å |
| 179 | G | 40.5 | Very low | 54.8 | Low | 75 Ų | 75 | 102.8 Ų | 102.8 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 123.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q177 | Q177-G179 PolarHBondContact O-N 2.91Š|
| 180 | F | 34.6 | Very low | 57.3 | Low | 160 Ų | 160 | 104.9 Ų | 104.9 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 133.6 | 176.3 | -75 | -91.8 | 0 | 0 | 0 | 108.5 | P178 | P178-F180 PolarHBondContact O-N 2.88Å; P178-F180 VanDerWaalsContact O-N 3.13Å |
| 181 | P | 45.9 | Very low | 59.6 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 146 | 170.9 | 22.4 | -31 | 0 | 0 | 0 | 108.6 | A183 | P181-A183 PolarHBondContact O-N 2.66Š|
| 182 | P | 50.4 | Low | 61.4 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 81% | 0.812 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 123.1 | 176.5 | -21.3 | 29.9 | 0 | 0 | 0 | 108.6 | A184 | P182-A184 PolarHBondContact O-N 2.81Š|
| 183 | A | 56.4 | Low | 63.6 | Low | 95 Ų | 95 | 94 Ų | 94 | 79% | 0.785 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 129.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | P181 | P181-A183 PolarHBondContact O-N 2.66Š|
| 184 | A | 65.3 | Low | 65.4 | Low | 62 Ų | 62 | 94.8 Ų | 94.8 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -56 | 143.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P182 V186 | P182-A184 PolarHBondContact O-N 2.81Å; A184-V186 PolarHBondContact O-N 2.77Å |
| 185 | P | 84.1 | Confident | 67.5 | Low | 32 Ų | 32 | 89.3 Ų | 89.3 | 21% | 0.208 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -57.7 | 131.8 | 178.3 | -17.7 | 28.7 | 0 | 0 | 0 | 110.2 | Y189 L310 V313 | P185-Y189 HydrophobicContact CB-CD2 3.66Å; P185-Y189 HydrophobicContact CB-CE2 3.75Å; P185-L310 HydrophobicContact CB-CB 3.86Å; P185-L310 HydrophobicContact CB-CD1 4.13Å; P185-L310 HydrophobicContact CG-CB 4.36Å; P185-L310 WeakPolarHBondContact O-CB 3.31Å; P185-V313 HydrophobicContact CB-CG2 4.36Å; P185-V313 HydrophobicContact CG-CG2 4.32Å |
| 186 | V | 86.7 | Confident | 69.8 | Low | 113 Ų | 113 | 84 Ų | 84 | 69% | 0.685 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 145 | -179.2 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | A184 P188 Y189 | A184-V186 PolarHBondContact O-N 2.77Å; V186-P188 CarbonylContact O-C 3.6Å; V186-P188 VanDerWaalsContact O-C 3.28Å; V186-Y189 WeakPolarHBondContact O-CA 3.38Å; V186-Y189 WeakPolarHBondContact O-CB 3.44Å; V186-Y189 PolarHBondContact O-N 3.19Å |
| 187 | V | 92.3 | Very high | 72.4 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 24% | 0.236 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -97 | 131.4 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | I308 L310 | V187-I308 HydrophobicContact CG2-CG1 4.13Å; V187-L310 HydrophobicContact CG2-CB 4.39Å; V187-L310 HydrophobicContact CG2-CD1 3.78Å; V187-L310 HydrophobicContact CG2-CG 3.67Å |
| 188 | P | 94.8 | Very high | 74.7 | Confident | 91 Ų | 91 | 77.2 Ų | 77.2 | 59% | 0.591 | 48% | 0.481 | S | S | * | . | S | Bend | cis | -70.1 | 135.7 | 3.3 | 30.9 | -36.2 | 0 | 0 | 0 | 112.2 | V186 I304 E305 | V186-P188 CarbonylContact O-C 3.6Å; V186-P188 VanDerWaalsContact O-C 3.28Å; P188-I304 WeakPolarHBondContact CA-O 3.43Å; P188-E305 HydrophobicContact CB-CB 4.37Å; P188-E305 HydrophobicContact CB-CG 3.63Å |
| 189 | Y | 93 | Very high | 76.9 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 13% | 0.133 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.7 | 179.8 | 178.5 | -92.4 | 0 | 0 | 0 | 109.7 | P185 V186 N191 L302 E303 I304 L310 V313 | P185-Y189 HydrophobicContact CB-CD2 3.66Å; P185-Y189 HydrophobicContact CB-CE2 3.75Å; V186-Y189 WeakPolarHBondContact O-CA 3.38Å; V186-Y189 WeakPolarHBondContact O-CB 3.44Å; V186-Y189 PolarHBondContact O-N 3.19Å; Y189-N191 HydrophobicContact CD1-CB 4.48Å; Y189-N191 HydrophobicContact CE1-CB 3.51Å; Y189-N191 WeakPolarHBondContact OH-CB 3.49Å; Y189-N191 PolarHBondContact OH-ND2 2.82Å; Y189-L302 HydrophobicContact CE1-CD2 4.17Å; Y189-E303 CarbonylContact O-C 3.58Å; Y189-E303 VanDerWaalsContact O-CA 3.32Å; Y189-E303 WeakPolarHBondContact O-CA 3.31Å; Y189-I304 HydrophobicContact CD1-CD1 3.92Å; Y189-I304 HydrophobicContact CD1-CG1 4.34Å; Y189-I304 PolarHBondContact N-O 2.83Å; Y189-I304 PolarHBondContact O-N 3.25Å; Y189-L310 VanDerWaalsContact CB-CD1 3.48Å; Y189-L310 HydrophobicContact CD2-CD1 4.25Å; Y189-L310 HydrophobicContact CG-CD1 3.85Å; Y189-V313 HydrophobicContact CD1-CG2 4.28Å; Y189-V313 HydrophobicContact CE1-CB 4.01Å; Y189-V313 HydrophobicContact CE1-CG1 3.66Å; Y189-V313 HydrophobicContact CE1-CG2 4.01Å; Y189-V313 HydrophobicContact CE2-CB 4.49Å; Y189-V313 HydrophobicContact CE2-CG2 4.36Å |
| 190 | K | 90 | Very high | 79 | Confident | 126 Ų | 126 | 74 Ų | 74 | 55% | 0.548 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 134.5 | 172 | -60.9 | -165.6 | -178.5 | -151.2 | 0 | 109.6 | L302 E303 | K190-L302 CarbonylContact C-O 3.56Å; K190-L302 WeakPolarHBondContact CA-O 3.41Å; K190-E303 HydrophobicContact CD-CG 4.26Å; K190-E303 WeakPolarHBondContact CE-OE1 3.18Å; K190-E303 HydrophobicContact CG-CB 4.39Å; K190-E303 HydrophobicContact CG-CG 4.16Å; K190-E303 IonicContact NZ-OE1 3.19Å; K190-E303 PolarHBondContact NZ-OE1 3.32Å |
| 191 | N | 87.4 | Confident | 81.5 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 156.3 | 175.4 | -160.4 | 3.6 | 0 | 0 | 0 | 111.6 | Y189 L302 | Y189-N191 HydrophobicContact CD1-CB 4.48Å; Y189-N191 HydrophobicContact CE1-CB 3.51Å; Y189-N191 WeakPolarHBondContact OH-CB 3.49Å; Y189-N191 PolarHBondContact OH-ND2 2.82Å; N191-L302 PolarHBondContact N-O 2.77Å; N191-L302 PolarHBondContact O-N 3.32Å |
| 192 | F | 80.3 | Confident | 83.6 | Confident | 115 Ų | 115 | 65.9 Ų | 65.9 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.3 | 177.4 | -164.4 | -98.7 | 0 | 0 | 0 | 110.8 | S194 N300 | F192-S194 PolarHBondContact O-N 3.07Å; F192-N300 CarbonylContact C-O 3.07Å; F192-N300 WeakPolarHBondContact CA-O 3.2Å; F192-N300 HydrophobicContact CD2-CB 4.42Å; F192-N300 WeakPolarHBondContact CD2-O 3.46Å; F192-N300 HydrophobicContact CE1-CB 4.33Å; F192-N300 HydrophobicContact CE2-CB 3.7Å; F192-N300 VanDerWaalsContact CE2-CG 3.5Å; F192-N300 HydrophobicContact CZ-CB 3.65Å |
| 193 | I | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -89.7 | 93 | 172.7 | -50.8 | 167.1 | 0 | 0 | 0 | 106.6 | G195 G196 L197 I203 L220 N300 L302 V315 | I193-G195 PolarHBondContact O-N 2.81Å; I193-G195 VanDerWaalsContact O-N 3.16Å; I193-G196 WeakPolarHBondContact O-CA 3.39Å; I193-G196 PolarHBondContact O-N 3.01Å; I193-L197 HydrophobicContact CD1-CD2 4.25Å; I193-L197 HydrophobicContact CD1-CG 4.45Å; I193-L197 HydrophobicContact CG2-CD2 4.05Å; I193-I203 HydrophobicContact CD1-CD1 3.86Å; I193-I203 HydrophobicContact CG1-CD1 4.47Å; I193-L220 HydrophobicContact CD1-CD2 4.23Å; I193-N300 PolarHBondContact N-O 2.82Å; I193-L302 HydrophobicContact CD1-CB 4.33Å; I193-L302 HydrophobicContact CG1-CB 4.23Å; I193-V315 HydrophobicContact CB-CG1 3.86Å; I193-V315 HydrophobicContact CG1-CG1 3.62Å; I193-V315 HydrophobicContact CG2-CG1 3.7Å | ||
| 194 | S | 79.4 | Confident | 87.1 | Confident | 87 Ų | 87 | 57 Ų | 57 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 119.6 | -178.1 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | F192 G196 R201 | F192-S194 PolarHBondContact O-N 3.07Å; S194-G196 VanDerWaalsContact C-N 3.29Å; S194-R201 PolarHBondContact O-NH1 2.78Å; S194-R201 PolarHBondContact O-NH2 2.87Å |
| 195 | G | 81.7 | Confident | 88.5 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 3.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I193 | I193-G195 PolarHBondContact O-N 2.81Å; I193-G195 VanDerWaalsContact O-N 3.16Å |
| 196 | G | 87.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | trans | 65.5 | -164.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I193 S194 R201 Q297 I299 | I193-G196 WeakPolarHBondContact O-CA 3.39Å; I193-G196 PolarHBondContact O-N 3.01Å; S194-G196 VanDerWaalsContact C-N 3.29Å; G196-R201 VanDerWaalsContact O-CD 3.32Å; G196-R201 WeakPolarHBondContact O-CD 3.45Å; G196-R201 PolarHBondContact O-NH1 2.88Å; G196-Q297 WeakPolarHBondContact CA-O 3.37Å; G196-I299 CarbonylContact C-O 3.55Å; G196-I299 WeakPolarHBondContact CA-O 3.42Å | ||
| 197 | L | 94.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | trans | -91 | 151.5 | 178.9 | -62 | -179.4 | 0 | 0 | 0 | 112.2 | I193 R201 I203 L220 C272 F277 L296 Q297 I299 | I193-L197 HydrophobicContact CD1-CD2 4.25Å; I193-L197 HydrophobicContact CD1-CG 4.45Å; I193-L197 HydrophobicContact CG2-CD2 4.05Å; L197-R201 HydrophobicContact CD2-CG 4.21Å; L197-I203 HydrophobicContact CD2-CD1 4.04Å; L197-L220 HydrophobicContact CD1-CD1 3.81Å; L197-C272 HydrophobicContact CB-CB 4.49Å; L197-F277 HydrophobicContact CD1-CE1 3.67Å; L197-F277 HydrophobicContact CD1-CZ 4.06Å; L197-L296 HydrophobicContact CB-CB 4.28Å; L197-L296 WeakPolarHBondContact CB-O 3.49Å; L197-L296 PolarHBondContact N-O 2.92Å; L197-L296 CarbonylContact O-C 3.57Å; L197-L296 VanDerWaalsContact O-CB 3.29Å; L197-L296 WeakPolarHBondContact O-CB 3.48Å; L197-Q297 PolarHBondContact O-N 2.95Å; L197-I299 HydrophobicContact CB-CB 4.36Å; L197-I299 HydrophobicContact CD1-CB 3.9Å; L197-I299 HydrophobicContact CD1-CD1 4.1Å; L197-I299 HydrophobicContact CD1-CG2 3.56Å; L197-I299 HydrophobicContact CG-CB 4.05Å; L197-I299 HydrophobicContact CG-CG2 4.09Å; L197-I299 PolarHBondContact N-O 3.29Å | ||
| 198 | Q | 91.6 | Very high | 88.2 | Confident | 102 Ų | 102 | 47.9 Ų | 47.9 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | trans | -152.1 | 155.5 | 173.9 | 59.6 | -168.8 | -11.3 | 0 | 0 | 108.7 | G200 R201 C272 | Q198-G200 PolarHBondContact O-N 2.96Å; Q198-R201 HydrophobicContact CG-CB 4.09Å; Q198-R201 WeakPolarHBondContact O-CB 3.36Å; Q198-R201 PolarHBondContact O-N 2.9Å; Q198-C272 WeakPolarHBondContact O-CB 3.25Å | ||
| 199 | P | 91.3 | Very high | 87.8 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 132.6 | 175.5 | -27.6 | 36.5 | 0 | 0 | 0 | 111.9 | R201 C272 N274 L296 | P199-R201 VanDerWaalsContact C-N 3.34Å; P199-C272 CarbonylContact C-O 3.51Å; P199-C272 WeakPolarHBondContact CA-O 3.47Å; P199-N274 WeakPolarHBondContact CB-OD1 3.46Å; P199-N274 WeakPolarHBondContact CG-OD1 3.12Å; P199-L296 HydrophobicContact CG-CD1 4.3Å |
| 200 | G | 83.5 | Confident | 87.6 | Confident | 57 Ų | 57 | 45 Ų | 45 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -18.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q198 T202 C272 | Q198-G200 PolarHBondContact O-N 2.96Å; G200-T202 PolarHBondContact O-N 3.46Å; G200-T202 PolarHBondContact O-OG1 2.97Å; G200-C272 PolarHBondContact N-O 3.36Å |
| 201 | R | 87.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | trans | -67.4 | 137.1 | 177.5 | -170.2 | 161.8 | -172.1 | 156.9 | 6.6 | 110.8 | S194 G196 L197 Q198 P199 C272 V315 | S194-R201 PolarHBondContact O-NH1 2.78Å; S194-R201 PolarHBondContact O-NH2 2.87Å; G196-R201 VanDerWaalsContact O-CD 3.32Å; G196-R201 WeakPolarHBondContact O-CD 3.45Å; G196-R201 PolarHBondContact O-NH1 2.88Å; L197-R201 HydrophobicContact CD2-CG 4.21Å; Q198-R201 HydrophobicContact CG-CB 4.09Å; Q198-R201 WeakPolarHBondContact O-CB 3.36Å; Q198-R201 PolarHBondContact O-N 2.9Å; P199-R201 VanDerWaalsContact C-N 3.34Å; R201-C272 WeakPolarHBondContact O-CB 3.39Å; R201-C272 PolarHBondContact O-N 2.82Å; R201-V315 PolarHBondContact NE-OXT 2.95Å; R201-V315 PolarHBondContact NH2-OXT 3.09Å | ||
| 202 | T | 89.2 | Confident | 87.6 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.6 | -175.5 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | G200 T269 V270 I271 | G200-T202 PolarHBondContact O-N 3.46Å; G200-T202 PolarHBondContact O-OG1 2.97Å; T202-T269 HydrophobicContact CG2-CG2 3.23Å; T202-V270 CarbonylContact C-O 3.57Å; T202-V270 VanDerWaalsContact CA-O 3.27Å; T202-V270 WeakPolarHBondContact CA-O 3.22Å; T202-I271 HydrophobicContact CG2-CG1 4.24Å |
| 203 | I | 93.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.8 | 170.2 | -60.3 | 172.1 | 0 | 0 | 0 | 107.6 | I193 L197 I205 L220 T269 V270 L302 I314 V315 | I193-I203 HydrophobicContact CD1-CD1 3.86Å; I193-I203 HydrophobicContact CG1-CD1 4.47Å; L197-I203 HydrophobicContact CD2-CD1 4.04Å; I203-I205 HydrophobicContact CG2-CD1 4.35Å; I203-I205 HydrophobicContact CG2-CG1 4.13Å; I203-L220 HydrophobicContact CD1-CD2 3.56Å; I203-T269 CarbonylContact O-C 3.38Å; I203-T269 WeakPolarHBondContact O-CA 3.28Å; I203-V270 HydrophobicContact CB-CB 4.32Å; I203-V270 PolarHBondContact N-O 2.86Å; I203-V270 PolarHBondContact O-N 2.89Å; I203-L302 HydrophobicContact CG2-CD2 3.92Å; I203-I314 CarbonylContact C-O 3.56Å; I203-I314 WeakPolarHBondContact CA-O 3.44Å; I203-V315 HydrophobicContact CG1-CG1 4.42Å; I203-V315 HydrophobicContact CG2-CG2 4.34Å |
| 204 | T | 87.8 | Confident | 88.7 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.1 | 177.5 | -60.6 | 0 | 0 | 0 | 0 | 110 | Q206 T267 L268 V313 I314 | T204-Q206 HydrophobicContact CG2-CG 4.33Å; T204-T267 HydrophobicContact CG2-CG2 3.8Å; T204-L268 CarbonylContact C-O 3.55Å; T204-L268 WeakPolarHBondContact CA-O 3.43Å; T204-V313 WeakPolarHBondContact O-CA 3.47Å; T204-I314 PolarHBondContact N-O 2.87Å; T204-I314 PolarHBondContact O-N 3.33Å |
| 205 | I | 95.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.8 | -179.5 | -59.8 | 163.1 | 0 | 0 | 0 | 107.4 | I203 M218 F266 T267 L268 L302 I304 L310 V313 | I203-I205 HydrophobicContact CG2-CD1 4.35Å; I203-I205 HydrophobicContact CG2-CG1 4.13Å; I205-M218 HydrophobicContact CD1-CB 4.37Å; I205-M218 HydrophobicContact CD1-CG 3.64Å; I205-F266 HydrophobicContact CG2-CE2 4.04Å; I205-F266 HydrophobicContact CG2-CZ 4.36Å; I205-T267 CarbonylContact O-C 3.47Å; I205-T267 WeakPolarHBondContact O-CA 3.2Å; I205-L268 HydrophobicContact CB-CB 4.39Å; I205-L268 HydrophobicContact CD1-CD2 4.28Å; I205-L268 PolarHBondContact N-O 2.85Å; I205-L268 PolarHBondContact O-N 2.74Å; I205-L302 HydrophobicContact CD1-CD1 4.35Å; I205-I304 HydrophobicContact CD1-CD1 3.67Å; I205-I304 HydrophobicContact CD1-CG1 4.27Å; I205-I304 HydrophobicContact CG1-CD1 3.9Å; I205-I304 HydrophobicContact CG2-CD1 3.89Å; I205-L310 HydrophobicContact CG2-CD2 3.56Å; I205-V313 HydrophobicContact CG1-CG1 4.37Å |
| 206 | Q | 85.4 | Confident | 90.4 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.4 | 174.7 | -61.1 | -177.3 | -33.5 | 0 | 0 | 109.6 | T204 F266 T267 T311 S312 | T204-Q206 HydrophobicContact CG2-CG 4.33Å; Q206-F266 WeakPolarHBondContact CA-O 3.43Å; Q206-T267 HydrophobicContact CG-CG2 4.08Å; Q206-T267 PolarHBondContact NE2-OG1 2.83Å; Q206-T311 VanDerWaalsContact CB-OG1 3.31Å; Q206-T311 WeakPolarHBondContact CB-OG1 3.49Å; Q206-T311 PolarHBondContact O-N 2.87Å; Q206-T311 PolarHBondContact O-OG1 2.87Å; Q206-S312 PolarHBondContact N-O 3.17Å; Q206-S312 PolarHBondContact O-N 3.39Å |
| 207 | G | 88.9 | Confident | 90.9 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | -173.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S265 F266 Q309 T311 | G207-S265 CarbonylContact O-C 3.58Å; G207-S265 VanDerWaalsContact O-CA 3.24Å; G207-S265 WeakPolarHBondContact O-CA 3.15Å; G207-F266 PolarHBondContact N-O 2.91Å; G207-F266 WeakPolarHBondContact O-CD1 3.32Å; G207-F266 PolarHBondContact O-N 3.16Å; G207-Q309 CarbonylContact C-O 3.51Å; G207-Q309 WeakPolarHBondContact CA-O 3.3Å; G207-T311 PolarHBondContact N-OG1 2.87Å |
| 208 | V | 81.6 | Confident | 91.2 | Very high | 39 Ų | 39 | 44 Ų | 44 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.3 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 108 | I308 Q309 | V208-I308 CarbonylContact O-C 3.53Å; V208-I308 VanDerWaalsContact O-CA 3.25Å; V208-I308 WeakPolarHBondContact O-CA 3.23Å; V208-I308 WeakPolarHBondContact O-CB 3.2Å; V208-Q309 PolarHBondContact N-O 3.49Å; V208-Q309 PolarHBondContact O-N 3.37Å |
| 209 | V | 86.2 | Confident | 91.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.1 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | A213 F216 F234 F260 H261 G263 Q264 F266 I308 | V209-A213 HydrophobicContact CG1-CB 3.54Å; V209-F216 HydrophobicContact CG2-CE1 4.49Å; V209-F234 HydrophobicContact CB-CZ 4.26Å; V209-F234 HydrophobicContact CG1-CE1 3.66Å; V209-F234 HydrophobicContact CG1-CE2 3.81Å; V209-F234 HydrophobicContact CG1-CZ 3.23Å; V209-F234 HydrophobicContact CG2-CE1 4.49Å; V209-F234 HydrophobicContact CG2-CZ 3.98Å; V209-F260 HydrophobicContact CG2-CB 4.28Å; V209-F260 HydrophobicContact CG2-CD1 4.49Å; V209-H261 WeakPolarHBondContact CB-O 3.47Å; V209-G263 WeakPolarHBondContact O-CA 2.95Å; V209-G263 PolarHBondContact O-N 3.04Å; V209-Q264 PolarHBondContact N-O 2.96Å; V209-F266 HydrophobicContact CG2-CD1 3.8Å; V209-F266 HydrophobicContact CG2-CE1 4.21Å; V209-I308 HydrophobicContact CG2-CG2 4.45Å |
| 210 | Q | 90.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 36.3 Ų | 36.3 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | trans | -63 | 143.9 | 178.1 | -65.6 | 178.4 | 21 | 0 | 0 | 111 | S212 A213 D307 I308 | Q210-S212 PolarHBondContact O-N 3.12Å; Q210-A213 HydrophobicContact CB-CB 4.41Å; Q210-A213 WeakPolarHBondContact O-CB 3.39Å; Q210-A213 PolarHBondContact O-N 2.73Å; Q210-D307 HydrophobicContact CB-CB 4.4Å; Q210-D307 WeakPolarHBondContact CB-O 3.21Å; Q210-D307 WeakPolarHBondContact CG-O 3.13Å; Q210-D307 PolarHBondContact N-O 2.66Å; Q210-I308 PolarHBondContact NE2-O 3.36Å | ||
| 211 | P | 84.3 | Confident | 92.5 | Very high | 103 Ų | 103 | 34.7 Ų | 34.7 | 67% | 0.669 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -31 | 179.5 | -28 | 35.8 | 0 | 0 | 0 | 114.3 | R262 | P211-R262 WeakPolarHBondContact O-CB 3.24Å; P211-R262 WeakPolarHBondContact O-CD 3.42Å |
| 212 | S | 92.4 | Very high | 92.8 | Very high | 91 Ų | 91 | 33 Ų | 33 | 64% | 0.636 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 13.3 | 178.4 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | Q210 T214 | Q210-S212 PolarHBondContact O-N 3.12Å; S212-T214 PolarHBondContact O-N 2.77Å |
| 213 | A | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -56.5 | 130.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V209 Q210 F234 R262 D307 | V209-A213 HydrophobicContact CG1-CB 3.54Å; Q210-A213 HydrophobicContact CB-CB 4.41Å; Q210-A213 WeakPolarHBondContact O-CB 3.39Å; Q210-A213 PolarHBondContact O-N 2.73Å; A213-F234 HydrophobicContact CB-CD2 3.7Å; A213-F234 HydrophobicContact CB-CE2 3.72Å; A213-F234 HydrophobicContact CB-CG 4.33Å; A213-F234 HydrophobicContact CB-CZ 4.36Å; A213-F234 WeakPolarHBondContact O-CB 3.44Å; A213-R262 HydrophobicContact CB-CG 4.29Å; A213-R262 VanDerWaalsContact O-CZ 3.32Å; A213-R262 PolarHBondContact O-NE 2.94Å; A213-R262 PolarHBondContact O-NH2 2.83Å; A213-D307 HydrophobicContact CB-CB 3.55Å | ||
| 214 | T | 97.9 | Very high | 92.5 | Very high | 70 Ų | 70 | 43.3 Ų | 43.3 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | trans | -94.4 | -45.3 | 170.3 | 65.8 | 0 | 0 | 0 | 0 | 109.9 | S212 F234 D307 | S212-T214 PolarHBondContact O-N 2.77Å; T214-F234 PolarHBondContact O-N 3.39Å; T214-D307 WeakPolarHBondContact CA-OD2 3.29Å; T214-D307 WeakPolarHBondContact CB-OD2 3.25Å; T214-D307 PolarHBondContact N-OD2 3.48Å; T214-D307 PolarHBondContact OG1-OD2 3.23Å | ||
| 215 | R | 97.9 | Very high | 92.8 | Very high | 147 Ų | 147 | 42.7 Ų | 42.7 | 56% | 0.555 | 23% | 0.234 | S | C | * | . | B | Isolated β-bridge | trans | -165.4 | 160 | 177 | 60.3 | -175.2 | 174.5 | -177.2 | -1.1 | 111.8 | P232 R233 D307 | R215-P232 WeakPolarHBondContact CA-O 3.21Å; R215-P232 WeakPolarHBondContact CB-O 3.03Å; R215-R233 HydrophobicContact CB-CG 4.28Å; R215-D307 PolarHBondContact N-OD2 2.84Å; R215-D307 VanDerWaalsContact N-OD2 3.12Å; R215-D307 WeakPolarHBondContact O-CB 3.48Å; R215-D307 PolarHBondContact O-N 2.84Å |
| 216 | F | 98.7 | Very high | 93 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 168.6 | 159.6 | 76.2 | -89.1 | 0 | 0 | 0 | 109.4 | V209 N231 P232 F234 F260 F266 E305 I308 | V209-F216 HydrophobicContact CG2-CE1 4.49Å; F216-N231 WeakPolarHBondContact O-CA 3.41Å; F216-N231 PolarHBondContact O-ND2 3.17Å; F216-P232 HydrophobicContact CD1-CB 4.14Å; F216-P232 HydrophobicContact CD1-CG 4.28Å; F216-P232 HydrophobicContact CE1-CB 3.72Å; F216-P232 HydrophobicContact CE1-CG 3.62Å; F216-P232 HydrophobicContact CE2-CG 4.15Å; F216-P232 HydrophobicContact CZ-CB 4.2Å; F216-P232 HydrophobicContact CZ-CG 3.56Å; F216-P232 PolarHBondContact N-O 3.38Å; F216-P232 VanDerWaalsContact O-CD 3.3Å; F216-P232 WeakPolarHBondContact O-CD 3.48Å; F216-F234 AromaticContact CD1-CE2 3.89Å; F216-F234 HydrophobicContact CD1-CE2 3.89Å; F216-F234 HydrophobicContact CD1-CZ 4.1Å; F216-F234 HydrophobicContact CE1-CE2 4.28Å; F216-F234 HydrophobicContact CE1-CZ 4.04Å; F216-F260 HydrophobicContact CE1-CD1 4.13Å; F216-F260 HydrophobicContact CE1-CD2 4.33Å; F216-F260 HydrophobicContact CE1-CE1 4.42Å; F216-F260 HydrophobicContact CE1-CG 4.09Å; F216-F260 AromaticContact CZ-CD1 3.98Å; F216-F260 HydrophobicContact CZ-CD1 3.98Å; F216-F260 HydrophobicContact CZ-CD2 4.31Å; F216-F260 AromaticContact CZ-CE1 3.81Å; F216-F260 HydrophobicContact CZ-CE1 3.81Å; F216-F260 HydrophobicContact CZ-CE2 4.16Å; F216-F260 HydrophobicContact CZ-CG 4.24Å; F216-F260 AromaticContact CZ-CZ 3.91Å; F216-F260 HydrophobicContact CZ-CZ 3.91Å; F216-F266 HydrophobicContact CE2-CZ 4.47Å; F216-F266 HydrophobicContact CZ-CZ 4.38Å; F216-E305 CarbonylContact C-O 3.55Å; F216-E305 WeakPolarHBondContact CA-O 3.37Å; F216-E305 WeakPolarHBondContact CB-O 3.37Å; F216-I308 HydrophobicContact CB-CG1 4.37Å; F216-I308 HydrophobicContact CB-CG2 3.71Å; F216-I308 HydrophobicContact CD1-CG2 3.46Å; F216-I308 VanDerWaalsContact CD1-CG2 3.46Å; F216-I308 HydrophobicContact CD2-CD1 3.94Å; F216-I308 HydrophobicContact CD2-CG2 4.04Å; F216-I308 HydrophobicContact CE1-CG2 4.02Å; F216-I308 HydrophobicContact CE2-CD1 4.42Å; F216-I308 HydrophobicContact CG-CD1 4.32Å; F216-I308 HydrophobicContact CG-CG2 3.47Å; F216-I308 VanDerWaalsContact CG-CG2 3.47Å |
| 217 | H | 98.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 43 Ų | 43 | 17% | 0.171 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.6 | 173.6 | 69 | -91.3 | 0 | 0 | 0 | 113.1 | N219 H229 Y230 N231 I304 E305 | H217-N219 PolarHBondContact CD2-ND2 3.03Å; H217-N219 PolarHBondContact CD2-OD1 2.83Å; H217-N219 VanDerWaalsContact CD2-OD1 3.31Å; H217-N219 PolarHBondContact NE2-ND2 3.17Å; H217-H229 AromaticContact CD2-CE1 3.94Å; H217-H229 AromaticContact CG-CE1 3.73Å; H217-Y230 CarbonylContact C-O 3.46Å; H217-Y230 WeakPolarHBondContact CA-O 3.41Å; H217-N231 HydrophobicContact CB-CB 3.98Å; H217-I304 WeakPolarHBondContact O-CA 3.2Å; H217-E305 IonicContact CE1-OE2 3.75Å; H217-E305 PolarHBondContact N-O 3.08Å; H217-E305 PolarHBondContact O-N 2.66Å; H217-E305 VanDerWaalsContact O-N 3.07Å |
| 218 | M | 98.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.5 | 166.8 | 176.8 | -81.7 | -64.1 | 0 | 0 | 108.6 | I205 L220 L228 Y230 L268 V270 L302 E303 I304 | I205-M218 HydrophobicContact CD1-CB 4.37Å; I205-M218 HydrophobicContact CD1-CG 3.64Å; M218-L220 HydrophobicContact CE-CG 4.4Å; M218-L220 HydrophobicContact SD-CD2 3.67Å; M218-L220 HydrophobicContact SD-CG 3.71Å; M218-L228 HydrophobicContact CE-CD2 4.2Å; M218-Y230 PolarHBondContact N-O 2.8Å; M218-Y230 PolarHBondContact O-N 2.77Å; M218-L268 HydrophobicContact CE-CD2 4.49Å; M218-V270 HydrophobicContact CE-CG2 3.56Å; M218-L302 HydrophobicContact CG-CD1 3.58Å; M218-L302 HydrophobicContact SD-CD1 3.84Å; M218-E303 CarbonylContact C-O 3.52Å; M218-E303 VanDerWaalsContact CA-O 3.3Å; M218-E303 WeakPolarHBondContact CA-O 3.24Å; M218-I304 HydrophobicContact CB-CG1 4.38Å; M218-I304 HydrophobicContact CG-CG1 4.11Å |
| 219 | N | 98.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.4 | 174.6 | -57.9 | -29.9 | 0 | 0 | 0 | 110.2 | H217 T221 I226 L228 H229 L302 E303 | H217-N219 PolarHBondContact CD2-ND2 3.03Å; H217-N219 PolarHBondContact CD2-OD1 2.83Å; H217-N219 VanDerWaalsContact CD2-OD1 3.31Å; H217-N219 PolarHBondContact NE2-ND2 3.17Å; N219-T221 HydrophobicContact CB-CG2 3.7Å; N219-I226 HydrophobicContact CB-CG2 3.93Å; N219-L228 CarbonylContact C-O 3.6Å; N219-L228 WeakPolarHBondContact CA-O 3.25Å; N219-H229 PolarHBondContact OD1-ND1 3.23Å; N219-L302 WeakPolarHBondContact O-CA 3.33Å; N219-E303 HydrophobicContact CB-CB 4.12Å; N219-E303 PolarHBondContact N-O 3.4Å; N219-E303 PolarHBondContact ND2-OE2 3.34Å; N219-E303 PolarHBondContact O-N 3.41Å |
| 220 | L | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.4 | 158.6 | -56 | 178.3 | 0 | 0 | 0 | 107.8 | I193 L197 I203 M218 I226 A227 L228 V270 F277 I299 G301 L302 | I193-L220 HydrophobicContact CD1-CD2 4.23Å; L197-L220 HydrophobicContact CD1-CD1 3.81Å; I203-L220 HydrophobicContact CD1-CD2 3.56Å; M218-L220 HydrophobicContact CE-CG 4.4Å; M218-L220 HydrophobicContact SD-CD2 3.67Å; M218-L220 HydrophobicContact SD-CG 3.71Å; L220-I226 CarbonylContact O-C 3.5Å; L220-A227 PolarHBondContact O-N 3.25Å; L220-L228 HydrophobicContact CB-CB 4.24Å; L220-L228 HydrophobicContact CD1-CB 4.08Å; L220-L228 HydrophobicContact CD1-CD2 3.96Å; L220-L228 HydrophobicContact CG-CB 4.28Å; L220-L228 PolarHBondContact N-O 3.04Å; L220-L228 PolarHBondContact O-N 2.84Å; L220-V270 HydrophobicContact CD1-CG1 4.15Å; L220-F277 HydrophobicContact CD1-CD1 4.29Å; L220-F277 HydrophobicContact CD1-CE1 3.96Å; L220-F277 HydrophobicContact CD1-CZ 4.11Å; L220-I299 HydrophobicContact CB-CG2 3.63Å; L220-G301 WeakPolarHBondContact CA-O 3.33Å; L220-L302 HydrophobicContact CD2-CD1 3.97Å |
| 221 | T | 97.5 | Very high | 96 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 14% | 0.135 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 154.4 | -169.4 | 67.1 | 0 | 0 | 0 | 0 | 112.4 | N219 G225 I226 I299 N300 G301 E303 | N219-T221 HydrophobicContact CB-CG2 3.7Å; T221-G225 WeakPolarHBondContact CA-O 3.3Å; T221-I226 HydrophobicContact CG2-CG1 4.19Å; T221-I299 CarbonylContact O-C 3.54Å; T221-I299 WeakPolarHBondContact O-CA 3.39Å; T221-N300 PolarHBondContact O-N 2.94Å; T221-G301 PolarHBondContact N-O 3.39Å; T221-G301 PolarHBondContact O-N 3.2Å; T221-G301 VanDerWaalsContact O-N 3.17Å; T221-G301 VanDerWaalsContact OG1-CA 3.28Å; T221-G301 WeakPolarHBondContact OG1-CA 3.32Å; T221-E303 HydrophobicContact CG2-CG 4.03Å |
| 222 | H | 93.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 7% | 0.069 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 173.8 | 169.8 | 62.8 | 92.1 | 0 | 0 | 0 | 108.6 | S224 G225 F293 N298 | H222-S224 PolarHBondContact CE1-OG 2.8Å; H222-S224 PolarHBondContact ND1-N 3.38Å; H222-S224 PolarHBondContact ND1-OG 2.87Å; H222-S224 VanDerWaalsContact ND1-OG 3.13Å; H222-S224 PolarHBondContact O-N 2.8Å; H222-G225 PolarHBondContact CD2-O 2.89Å; H222-G225 PolarHBondContact CE1-N 2.65Å; H222-G225 VanDerWaalsContact CE1-N 3.31Å; H222-G225 PolarHBondContact N-O 2.84Å; H222-G225 PolarHBondContact O-N 2.85Å; H222-G225 VanDerWaalsContact O-O 3.08Å; H222-F293 HydrophobicContact CB-CE1 4Å; H222-F293 HydrophobicContact CB-CZ 4.02Å; H222-F293 AromaticContact CE1-CD2 3.93Å; H222-F293 AromaticContact CE1-CE2 3.71Å; H222-F293 AromaticContact CG-CE1 3.93Å; H222-F293 AromaticContact CG-CE2 3.98Å; H222-F293 AromaticContact CG-CZ 3.71Å; H222-F293 AromaticContact ND1-CE2 3.71Å; H222-F293 AromaticContact ND1-CZ 3.78Å; H222-F293 AromaticContact NE2-CD2 3.78Å; H222-F293 AromaticContact NE2-CE2 3.97Å; H222-N298 WeakPolarHBondContact CA-O 3.39Å; H222-N298 WeakPolarHBondContact CB-O 3.4Å |
| 223 | Q | 87.8 | Confident | 96.9 | Very high | 199 Ų | 199 | 31.8 Ų | 31.8 | 93% | 0.93 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -29.2 | -172.8 | -172.4 | 178.4 | 8 | 0 | 0 | 115.3 | ||
| 224 | S | 87.3 | Confident | 97.1 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 12.1 | -171.9 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | H222 | H222-S224 PolarHBondContact CE1-OG 2.8Å; H222-S224 PolarHBondContact ND1-N 3.38Å; H222-S224 PolarHBondContact ND1-OG 2.87Å; H222-S224 VanDerWaalsContact ND1-OG 3.13Å; H222-S224 PolarHBondContact O-N 2.8Å |
| 225 | G | 95.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -162.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | T221 H222 K244 | T221-G225 WeakPolarHBondContact CA-O 3.3Å; H222-G225 PolarHBondContact CD2-O 2.89Å; H222-G225 PolarHBondContact CE1-N 2.65Å; H222-G225 VanDerWaalsContact CE1-N 3.31Å; H222-G225 PolarHBondContact N-O 2.84Å; H222-G225 PolarHBondContact O-N 2.85Å; H222-G225 VanDerWaalsContact O-O 3.08Å; G225-K244 CarbonylContact C-O 3.57Å; G225-K244 VanDerWaalsContact CA-O 3.24Å; G225-K244 WeakPolarHBondContact CA-O 3.17Å |
| 226 | I | 98.8 | Very high | 96.9 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 112.6 | -178.7 | -56.1 | 170.1 | 0 | 0 | 0 | 107.5 | N219 L220 T221 L228 H229 T243 K244 W249 | N219-I226 HydrophobicContact CB-CG2 3.93Å; L220-I226 CarbonylContact O-C 3.5Å; T221-I226 HydrophobicContact CG2-CG1 4.19Å; I226-L228 VanDerWaalsContact CG2-C 3.41Å; I226-L228 WeakPolarHBondContact CG2-O 3.49Å; I226-H229 HydrophobicContact CG2-CB 3.95Å; I226-T243 CarbonylContact O-C 3.59Å; I226-T243 VanDerWaalsContact O-CA 3.31Å; I226-T243 WeakPolarHBondContact O-CA 3.37Å; I226-T243 VanDerWaalsContact O-CG2 3.23Å; I226-T243 WeakPolarHBondContact O-CG2 3.43Å; I226-K244 HydrophobicContact CB-CB 3.97Å; I226-K244 HydrophobicContact CD1-CB 4.16Å; I226-K244 HydrophobicContact CD1-CD 4.18Å; I226-K244 HydrophobicContact CG1-CB 4.19Å; I226-K244 PolarHBondContact N-O 3.39Å; I226-K244 PolarHBondContact O-N 2.97Å; I226-W249 HydrophobicContact CD1-CH2 3.84Å; I226-W249 HydrophobicContact CD1-CZ2 4.4Å |
| 227 | A | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L220 T243 F293 I299 | L220-A227 PolarHBondContact O-N 3.25Å; A227-T243 PolarHBondContact O-OG1 2.97Å; A227-F293 HydrophobicContact CB-CB 3.91Å; A227-F293 HydrophobicContact CB-CD1 4.09Å; A227-F293 HydrophobicContact CB-CG 4.28Å; A227-I299 HydrophobicContact CB-CD1 3.54Å; A227-I299 HydrophobicContact CB-CG1 3.78Å; A227-I299 HydrophobicContact CB-CG2 4.24Å |
| 228 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 116.5 | 171.7 | 172 | 63.1 | 0 | 0 | 0 | 109.3 | M218 N219 L220 I226 R241 V270 F277 L279 Y289 | M218-L228 HydrophobicContact CE-CD2 4.2Å; N219-L228 CarbonylContact C-O 3.6Å; N219-L228 WeakPolarHBondContact CA-O 3.25Å; L220-L228 HydrophobicContact CB-CB 4.24Å; L220-L228 HydrophobicContact CD1-CB 4.08Å; L220-L228 HydrophobicContact CD1-CD2 3.96Å; L220-L228 HydrophobicContact CG-CB 4.28Å; L220-L228 PolarHBondContact N-O 3.04Å; L220-L228 PolarHBondContact O-N 2.84Å; I226-L228 VanDerWaalsContact CG2-C 3.41Å; I226-L228 WeakPolarHBondContact CG2-O 3.49Å; L228-R241 HydrophobicContact CD1-CB 4.4Å; L228-R241 HydrophobicContact CD1-CG 4.23Å; L228-V270 HydrophobicContact CD2-CG1 4.45Å; L228-F277 HydrophobicContact CB-CD2 4.12Å; L228-F277 HydrophobicContact CB-CE2 4.06Å; L228-F277 HydrophobicContact CD2-CB 4.13Å; L228-F277 HydrophobicContact CD2-CD2 3.89Å; L228-F277 HydrophobicContact CD2-CG 4Å; L228-F277 HydrophobicContact CG-CD2 4.48Å; L228-L279 HydrophobicContact CD2-CD1 4.19Å; L228-Y289 HydrophobicContact CD1-CD1 3.63Å; L228-Y289 HydrophobicContact CD1-CD2 4.34Å; L228-Y289 HydrophobicContact CD1-CE1 4.06Å; L228-Y289 HydrophobicContact CD1-CG 3.76Å |
| 229 | H | 98.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.3 | 163.6 | 177.7 | 66.3 | 0 | 0 | 0 | 107.6 | H217 N219 I226 N231 R241 N242 W249 | H217-H229 AromaticContact CD2-CE1 3.94Å; H217-H229 AromaticContact CG-CE1 3.73Å; N219-H229 PolarHBondContact OD1-ND1 3.23Å; I226-H229 HydrophobicContact CG2-CB 3.95Å; H229-N231 WeakPolarHBondContact NE2-CB 3.34Å; H229-R241 CarbonylContact O-C 3.57Å; H229-R241 WeakPolarHBondContact O-CA 3.31Å; H229-N242 PolarHBondContact N-O 3.05Å; H229-N242 PolarHBondContact O-N 2.87Å; H229-W249 HydrophobicContact CB-CH2 3.58Å; H229-W249 HydrophobicContact CB-CZ3 3.47Å; H229-W249 VanDerWaalsContact CB-CZ3 3.47Å; H229-W249 AromaticContact CD2-CH2 3.56Å; H229-W249 AromaticContact CD2-CZ3 3.84Å; H229-W249 AromaticContact CG-CH2 3.4Å; H229-W249 AromaticContact CG-CZ3 3.74Å; H229-W249 AromaticContact ND1-CH2 3.81Å |
| 230 | Y | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.7 | 177.9 | -173 | -93.8 | 0 | 0 | 0 | 108.9 | H217 M218 P232 V239 R241 F260 L268 L279 H287 | H217-Y230 CarbonylContact C-O 3.46Å; H217-Y230 WeakPolarHBondContact CA-O 3.41Å; M218-Y230 PolarHBondContact N-O 2.8Å; M218-Y230 PolarHBondContact O-N 2.77Å; Y230-P232 HydrophobicContact CD1-CG 4.17Å; Y230-P232 HydrophobicContact CE1-CG 3.84Å; Y230-V239 HydrophobicContact CD1-CG1 4.3Å; Y230-V239 HydrophobicContact CD2-CG1 4Å; Y230-V239 HydrophobicContact CE1-CG1 3.89Å; Y230-V239 HydrophobicContact CE2-CG1 3.52Å; Y230-V239 HydrophobicContact CG-CG1 4.35Å; Y230-V239 VanDerWaalsContact CZ-CG1 3.48Å; Y230-R241 HydrophobicContact CD2-CG 3.54Å; Y230-R241 HydrophobicContact CE2-CG 4.11Å; Y230-R241 HydrophobicContact CG-CG 4.48Å; Y230-F260 AromaticContact CE1-CE2 3.7Å; Y230-F260 HydrophobicContact CE1-CE2 3.7Å; Y230-F260 AromaticContact CE1-CZ 3.91Å; Y230-F260 HydrophobicContact CE1-CZ 3.91Å; Y230-L268 HydrophobicContact CD1-CD2 4.07Å; Y230-L268 HydrophobicContact CE1-CD1 4.24Å; Y230-L268 HydrophobicContact CE1-CD2 4.1Å; Y230-L279 HydrophobicContact CD2-CD1 4.22Å; Y230-L279 HydrophobicContact CD2-CG 3.95Å; Y230-L279 HydrophobicContact CE2-CB 4.1Å; Y230-L279 HydrophobicContact CE2-CD1 4.35Å; Y230-L279 HydrophobicContact CE2-CG 3.74Å; Y230-H287 HydrophobicContact CE2-CB 4.35Å; Y230-H287 AromaticContact CE2-ND1 3.58Å; Y230-H287 AromaticContact CZ-ND1 3.59Å; Y230-H287 PolarHBondContact OH-CE1 3.41Å; Y230-H287 VanDerWaalsContact OH-CE1 3.23Å; Y230-H287 PolarHBondContact OH-ND1 3.31Å |
| 231 | N | 98.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 89.5 | -165.8 | 176.1 | -139.7 | 0 | 0 | 0 | 112.6 | F216 H217 H229 R233 V240 | F216-N231 WeakPolarHBondContact O-CA 3.41Å; F216-N231 PolarHBondContact O-ND2 3.17Å; H217-N231 HydrophobicContact CB-CB 3.98Å; H229-N231 WeakPolarHBondContact NE2-CB 3.34Å; N231-R233 PolarHBondContact O-N 3.07Å; N231-R233 PolarHBondContact OD1-NE 2.84Å; N231-V240 HydrophobicContact CB-CB 4.49Å; N231-V240 PolarHBondContact N-O 2.83Å; N231-V240 PolarHBondContact O-N 2.76Å |
| 232 | P | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 125.8 | 167 | -25.7 | 38.4 | 0 | 0 | 0 | 111.8 | R215 F216 Y230 V239 M258 F260 | R215-P232 WeakPolarHBondContact CA-O 3.21Å; R215-P232 WeakPolarHBondContact CB-O 3.03Å; F216-P232 HydrophobicContact CD1-CB 4.14Å; F216-P232 HydrophobicContact CD1-CG 4.28Å; F216-P232 HydrophobicContact CE1-CB 3.72Å; F216-P232 HydrophobicContact CE1-CG 3.62Å; F216-P232 HydrophobicContact CE2-CG 4.15Å; F216-P232 HydrophobicContact CZ-CB 4.2Å; F216-P232 HydrophobicContact CZ-CG 3.56Å; F216-P232 PolarHBondContact N-O 3.38Å; F216-P232 VanDerWaalsContact O-CD 3.3Å; F216-P232 WeakPolarHBondContact O-CD 3.48Å; Y230-P232 HydrophobicContact CD1-CG 4.17Å; Y230-P232 HydrophobicContact CE1-CG 3.84Å; P232-V239 HydrophobicContact CB-CG2 4.13Å; P232-V239 HydrophobicContact CG-CG1 4.2Å; P232-V239 HydrophobicContact CG-CG2 4.07Å; P232-M258 HydrophobicContact CB-CE 4.16Å; P232-M258 HydrophobicContact CB-SD 4.04Å; P232-F260 HydrophobicContact CB-CD2 3.78Å; P232-F260 HydrophobicContact CB-CE2 4.21Å; P232-F260 HydrophobicContact CG-CD2 3.53Å; P232-F260 HydrophobicContact CG-CE2 3.42Å; P232-F260 VanDerWaalsContact CG-CE2 3.42Å; P232-F260 HydrophobicContact CG-CG 4.47Å; P232-F260 HydrophobicContact CG-CZ 4.28Å |
| 233 | R | 98.6 | Very high | 96.9 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 107.2 | 178.5 | -58.2 | -175 | -170.6 | 165.8 | 8.4 | 109 | R215 N231 E236 N237 V238 V240 E252 M258 | R215-R233 HydrophobicContact CB-CG 4.28Å; N231-R233 PolarHBondContact O-N 3.07Å; N231-R233 PolarHBondContact OD1-NE 2.84Å; R233-E236 HydrophobicContact CB-CB 4.18Å; R233-E236 WeakPolarHBondContact CD-OE1 3.5Å; R233-E236 IonicContact CZ-OE1 3.32Å; R233-E236 IonicContact NE-OE1 3.83Å; R233-E236 IonicContact NH1-OE1 3.39Å; R233-E236 PolarHBondContact NH1-OE1 2.82Å; R233-E236 IonicContact NH1-OE2 3.97Å; R233-E236 PolarHBondContact O-N 3.18Å; R233-N237 WeakPolarHBondContact O-CA 3.33Å; R233-N237 PolarHBondContact O-N 2.83Å; R233-V238 HydrophobicContact CB-CG1 4.34Å; R233-V238 PolarHBondContact N-O 3.23Å; R233-V238 PolarHBondContact O-N 3.44Å; R233-V238 VanDerWaalsContact O-N 3.14Å; R233-V240 VanDerWaalsContact CZ-CG2 3.45Å; R233-E252 IonicContact NH2-OE1 3.83Å; R233-E252 PolarHBondContact NH2-OE1 3.43Å; R233-M258 WeakPolarHBondContact O-CE 3.27Å |
| 234 | F | 97.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 28 Ų | 28 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -26 | -173.3 | -60.9 | -90.5 | 0 | 0 | 0 | 113.2 | V209 A213 T214 F216 M258 F260 R262 | V209-F234 HydrophobicContact CB-CZ 4.26Å; V209-F234 HydrophobicContact CG1-CE1 3.66Å; V209-F234 HydrophobicContact CG1-CE2 3.81Å; V209-F234 HydrophobicContact CG1-CZ 3.23Å; V209-F234 HydrophobicContact CG2-CE1 4.49Å; V209-F234 HydrophobicContact CG2-CZ 3.98Å; A213-F234 HydrophobicContact CB-CD2 3.7Å; A213-F234 HydrophobicContact CB-CE2 3.72Å; A213-F234 HydrophobicContact CB-CG 4.33Å; A213-F234 HydrophobicContact CB-CZ 4.36Å; A213-F234 WeakPolarHBondContact O-CB 3.44Å; T214-F234 PolarHBondContact O-N 3.39Å; F216-F234 AromaticContact CD1-CE2 3.89Å; F216-F234 HydrophobicContact CD1-CE2 3.89Å; F216-F234 HydrophobicContact CD1-CZ 4.1Å; F216-F234 HydrophobicContact CE1-CE2 4.28Å; F216-F234 HydrophobicContact CE1-CZ 4.04Å; F234-M258 HydrophobicContact CB-CE 4.11Å; F234-M258 HydrophobicContact CD1-CE 3.38Å; F234-M258 HydrophobicContact CD2-CE 4.2Å; F234-M258 HydrophobicContact CE1-CE 3.69Å; F234-M258 HydrophobicContact CE1-SD 4.37Å; F234-M258 HydrophobicContact CE2-CE 4.46Å; F234-M258 HydrophobicContact CG-CE 3.64Å; F234-M258 HydrophobicContact CZ-CE 4.21Å; F234-F260 HydrophobicContact CE1-CB 3.76Å; F234-F260 HydrophobicContact CZ-CB 3.89Å; F234-R262 VanDerWaalsContact CB-NH2 3.35Å; F234-R262 HydrophobicContact CD1-CG 4.02Å; F234-R262 HydrophobicContact CG-CG 4.36Å |
| 235 | N | 95.1 | Very high | 97.6 | Very high | 114 Ų | 114 | 27.7 Ų | 27.7 | 61% | 0.61 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -32.6 | 173.6 | 60.3 | -23.9 | 0 | 0 | 0 | 112.9 | ||
| 236 | E | 96 | Very high | 97.3 | Very high | 86 Ų | 86 | 36.1 Ų | 36.1 | 40% | 0.402 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -8.1 | 175.4 | -68.3 | -179.5 | -116.4 | 0 | 0 | 112.6 | R233 V238 R254 | R233-E236 HydrophobicContact CB-CB 4.18Å; R233-E236 WeakPolarHBondContact CD-OE1 3.5Å; R233-E236 IonicContact CZ-OE1 3.32Å; R233-E236 IonicContact NE-OE1 3.83Å; R233-E236 IonicContact NH1-OE1 3.39Å; R233-E236 PolarHBondContact NH1-OE1 2.82Å; R233-E236 IonicContact NH1-OE2 3.97Å; R233-E236 PolarHBondContact O-N 3.18Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 HydrophobicContact CB-CB 4.47Å; E236-V238 HydrophobicContact CB-CG1 3.61Å; E236-V238 PolarHBondContact O-N 2.95Å; E236-R254 IonicContact OE2-CZ 2.86Å; E236-R254 IonicContact OE2-NH1 2.79Å; E236-R254 PolarHBondContact OE2-NH1 3.07Å; E236-R254 IonicContact OE2-NH2 3.72Å |
| 237 | N | 94.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 41.2 Ų | 41.2 | 62% | 0.615 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 44.9 | -172.3 | -165.5 | 40.5 | 0 | 0 | 0 | 113.5 | R233 M258 | R233-N237 WeakPolarHBondContact O-CA 3.33Å; R233-N237 PolarHBondContact O-N 2.83Å; N237-M258 WeakPolarHBondContact OD1-CB 3.13Å |
| 238 | V | 96.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.8 | -174.4 | 74.1 | 0 | 0 | 0 | 0 | 111.1 | R233 E236 V240 R254 | R233-V238 HydrophobicContact CB-CG1 4.34Å; R233-V238 PolarHBondContact N-O 3.23Å; R233-V238 PolarHBondContact O-N 3.44Å; R233-V238 VanDerWaalsContact O-N 3.14Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 HydrophobicContact CB-CB 4.47Å; E236-V238 HydrophobicContact CB-CG1 3.61Å; E236-V238 PolarHBondContact O-N 2.95Å; V238-V240 HydrophobicContact CG1-CG2 4.01Å; V238-R254 HydrophobicContact CG2-CB 3.85Å; V238-R254 HydrophobicContact CG2-CG 4.38Å; V238-R254 WeakPolarHBondContact CG2-O 3.26Å |
| 239 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 112.5 | 166.2 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | Y230 P232 M258 F260 | Y230-V239 HydrophobicContact CD1-CG1 4.3Å; Y230-V239 HydrophobicContact CD2-CG1 4Å; Y230-V239 HydrophobicContact CE1-CG1 3.89Å; Y230-V239 HydrophobicContact CE2-CG1 3.52Å; Y230-V239 HydrophobicContact CG-CG1 4.35Å; Y230-V239 VanDerWaalsContact CZ-CG1 3.48Å; P232-V239 HydrophobicContact CB-CG2 4.13Å; P232-V239 HydrophobicContact CG-CG1 4.2Å; P232-V239 HydrophobicContact CG-CG2 4.07Å; V239-M258 HydrophobicContact CG2-SD 4.03Å; V239-F260 HydrophobicContact CG2-CD2 4.47Å |
| 240 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.4 | 174.9 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | N231 R233 V238 E252 R254 | N231-V240 HydrophobicContact CB-CB 4.49Å; N231-V240 PolarHBondContact N-O 2.83Å; N231-V240 PolarHBondContact O-N 2.76Å; R233-V240 VanDerWaalsContact CZ-CG2 3.45Å; V238-V240 HydrophobicContact CG1-CG2 4.01Å; V240-E252 HydrophobicContact CG1-CB 4.01Å; V240-E252 HydrophobicContact CG1-CG 3.71Å; V240-E252 WeakPolarHBondContact CG1-OE1 3.38Å; V240-R254 HydrophobicContact CG2-CG 4.25Å |
| 241 | R | 98.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.5 | 168.5 | -73.7 | 149.8 | -70.1 | 155.4 | 2.6 | 111 | L228 H229 Y230 E253 G255 T288 Y289 | L228-R241 HydrophobicContact CD1-CB 4.4Å; L228-R241 HydrophobicContact CD1-CG 4.23Å; H229-R241 CarbonylContact O-C 3.57Å; H229-R241 WeakPolarHBondContact O-CA 3.31Å; Y230-R241 HydrophobicContact CD2-CG 3.54Å; Y230-R241 HydrophobicContact CE2-CG 4.11Å; Y230-R241 HydrophobicContact CG-CG 4.48Å; R241-E253 HydrophobicContact CB-CB 4.23Å; R241-E253 PolarHBondContact N-O 2.85Å; R241-E253 PolarHBondContact NH2-O 3.45Å; R241-E253 PolarHBondContact O-N 2.82Å; R241-G255 PolarHBondContact NH2-O 3.47Å; R241-T288 PolarHBondContact NH1-O 3.37Å; R241-Y289 HydrophobicContact CB-CD2 3.59Å; R241-Y289 HydrophobicContact CB-CE2 3.78Å; R241-Y289 HydrophobicContact CB-CG 4.44Å; R241-Y289 HydrophobicContact CG-CD2 4.34Å |
| 242 | N | 98.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 173.2 | 176.6 | -149.5 | -18.6 | 0 | 0 | 0 | 112.4 | H229 W249 G250 S251 E252 Y289 R292 | H229-N242 PolarHBondContact N-O 3.05Å; H229-N242 PolarHBondContact O-N 2.87Å; N242-W249 HydrophobicContact CB-CE3 3.79Å; N242-W249 HydrophobicContact CB-CZ3 3.97Å; N242-G250 PolarHBondContact ND2-O 3.46Å; N242-G250 VanDerWaalsContact OD1-C 3.22Å; N242-G250 WeakPolarHBondContact OD1-CA 3.49Å; N242-G250 PolarHBondContact OD1-N 3.47Å; N242-G250 PolarHBondContact OD1-O 3.16Å; N242-S251 PolarHBondContact OD1-O 3.02Å; N242-E252 WeakPolarHBondContact ND2-CG 3.43Å; N242-Y289 WeakPolarHBondContact CA-OH 3.16Å; N242-R292 PolarHBondContact OD1-NH1 2.8Å |
| 243 | T | 98.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.2 | 171.8 | -62.3 | 0 | 0 | 0 | 0 | 107.7 | I226 A227 Q245 G250 Y289 R292 | I226-T243 CarbonylContact O-C 3.59Å; I226-T243 VanDerWaalsContact O-CA 3.31Å; I226-T243 WeakPolarHBondContact O-CA 3.37Å; I226-T243 VanDerWaalsContact O-CG2 3.23Å; I226-T243 WeakPolarHBondContact O-CG2 3.43Å; A227-T243 PolarHBondContact O-OG1 2.97Å; T243-Q245 HydrophobicContact CG2-CG 3.87Å; T243-G250 PolarHBondContact O-N 2.87Å; T243-Y289 PolarHBondContact N-OH 3Å; T243-Y289 VanDerWaalsContact N-OH 3.12Å; T243-Y289 PolarHBondContact OG1-OH 3.18Å; T243-R292 HydrophobicContact CG2-CB 4.19Å; T243-R292 WeakPolarHBondContact OG1-CB 3.33Å |
| 244 | K | 97.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.9 | 173.8 | -161.6 | -177.5 | -173 | -165.6 | 0 | 109.3 | G225 I226 D247 K248 W249 | G225-K244 CarbonylContact C-O 3.57Å; G225-K244 VanDerWaalsContact CA-O 3.24Å; G225-K244 WeakPolarHBondContact CA-O 3.17Å; I226-K244 HydrophobicContact CB-CB 3.97Å; I226-K244 HydrophobicContact CD1-CB 4.16Å; I226-K244 HydrophobicContact CD1-CD 4.18Å; I226-K244 HydrophobicContact CG1-CB 4.19Å; I226-K244 PolarHBondContact N-O 3.39Å; I226-K244 PolarHBondContact O-N 2.97Å; K244-D247 VanDerWaalsContact CE-C 3.49Å; K244-D247 VanDerWaalsContact CE-O 3.23Å; K244-D247 WeakPolarHBondContact CE-O 3.31Å; K244-D247 WeakPolarHBondContact CE-OD1 3.33Å; K244-D247 IonicContact NZ-OD1 2.76Å; K244-D247 PolarHBondContact NZ-OD1 2.84Å; K244-K248 CarbonylContact C-O 3.57Å; K244-K248 WeakPolarHBondContact CA-O 3.32Å; K244-W249 HydrophobicContact CB-CD2 4.14Å; K244-W249 HydrophobicContact CB-CE3 3.77Å; K244-W249 HydrophobicContact CB-CH2 4.19Å; K244-W249 HydrophobicContact CB-CZ3 3.8Å; K244-W249 HydrophobicContact CD-CD2 4.27Å; K244-W249 HydrophobicContact CD-CH2 4.4Å; K244-W249 HydrophobicContact CD-CZ2 3.99Å; K244-W249 HydrophobicContact CG-CD2 4.06Å; K244-W249 HydrophobicContact CG-CE3 4.22Å; K244-W249 HydrophobicContact CG-CG 4.45Å |
| 245 | Q | 92.2 | Very high | 96 | Very high | 58 Ų | 58 | 71 Ų | 71 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.9 | 176.6 | -57.4 | -176.8 | 15.5 | 0 | 0 | 109.4 | T243 D247 K248 | T243-Q245 HydrophobicContact CG2-CG 3.87Å; Q245-D247 PolarHBondContact O-N 2.71Å; Q245-K248 PolarHBondContact N-O 2.94Å; Q245-K248 PolarHBondContact O-N 3.12Å |
| 246 | W | 88.8 | Confident | 95.7 | Very high | 197 Ų | 197 | 68.7 Ų | 68.7 | 75% | 0.746 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 47.3 | -178.3 | -50.6 | -77.6 | 0 | 0 | 0 | 112.7 | K248 | W246-K248 PolarHBondContact O-N 2.73Å; W246-K248 VanDerWaalsContact O-N 3.09Å |
| 247 | D | 87.6 | Confident | 95.4 | Very high | 127 Ų | 127 | 66.4 Ų | 66.4 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 9.5 | -178.3 | -153.5 | 36.5 | 0 | 0 | 0 | 116 | K244 Q245 | K244-D247 VanDerWaalsContact CE-C 3.49Å; K244-D247 VanDerWaalsContact CE-O 3.23Å; K244-D247 WeakPolarHBondContact CE-O 3.31Å; K244-D247 WeakPolarHBondContact CE-OD1 3.33Å; K244-D247 IonicContact NZ-OD1 2.76Å; K244-D247 PolarHBondContact NZ-OD1 2.84Å; Q245-D247 PolarHBondContact O-N 2.71Å |
| 248 | K | 94.9 | Very high | 95.5 | Very high | 165 Ų | 165 | 62.2 Ų | 62.2 | 72% | 0.717 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.2 | 177.7 | -65 | -178.8 | -178.1 | -179.9 | 0 | 111.5 | K244 Q245 W246 | K244-K248 CarbonylContact C-O 3.57Å; K244-K248 WeakPolarHBondContact CA-O 3.32Å; Q245-K248 PolarHBondContact N-O 2.94Å; Q245-K248 PolarHBondContact O-N 3.12Å; W246-K248 PolarHBondContact O-N 2.73Å; W246-K248 VanDerWaalsContact O-N 3.09Å |
| 249 | W | 98.2 | Very high | 95.1 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 139.9 | 171.4 | -71.5 | 109.3 | 0 | 0 | 0 | 110.8 | I226 H229 N242 K244 | I226-W249 HydrophobicContact CD1-CH2 3.84Å; I226-W249 HydrophobicContact CD1-CZ2 4.4Å; H229-W249 HydrophobicContact CB-CH2 3.58Å; H229-W249 HydrophobicContact CB-CZ3 3.47Å; H229-W249 VanDerWaalsContact CB-CZ3 3.47Å; H229-W249 AromaticContact CD2-CH2 3.56Å; H229-W249 AromaticContact CD2-CZ3 3.84Å; H229-W249 AromaticContact CG-CH2 3.4Å; H229-W249 AromaticContact CG-CZ3 3.74Å; H229-W249 AromaticContact ND1-CH2 3.81Å; N242-W249 HydrophobicContact CB-CE3 3.79Å; N242-W249 HydrophobicContact CB-CZ3 3.97Å; K244-W249 HydrophobicContact CB-CD2 4.14Å; K244-W249 HydrophobicContact CB-CE3 3.77Å; K244-W249 HydrophobicContact CB-CH2 4.19Å; K244-W249 HydrophobicContact CB-CZ3 3.8Å; K244-W249 HydrophobicContact CD-CD2 4.27Å; K244-W249 HydrophobicContact CD-CH2 4.4Å; K244-W249 HydrophobicContact CD-CZ2 3.99Å; K244-W249 HydrophobicContact CG-CD2 4.06Å; K244-W249 HydrophobicContact CG-CE3 4.22Å; K244-W249 HydrophobicContact CG-CG 4.45Å |
| 250 | G | 98.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 63 Ų | 63 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | trans | -81.6 | -160.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N242 T243 | N242-G250 PolarHBondContact ND2-O 3.46Å; N242-G250 VanDerWaalsContact OD1-C 3.22Å; N242-G250 WeakPolarHBondContact OD1-CA 3.49Å; N242-G250 PolarHBondContact OD1-N 3.47Å; N242-G250 PolarHBondContact OD1-O 3.16Å; T243-G250 PolarHBondContact O-N 2.87Å | ||
| 251 | S | 98.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | trans | -73.3 | 130.1 | 175 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | N242 R292 | N242-S251 PolarHBondContact OD1-O 3.02Å; S251-R292 VanDerWaalsContact O-CZ 3.28Å; S251-R292 PolarHBondContact O-NH1 2.88Å; S251-R292 PolarHBondContact O-NH2 2.82Å | ||
| 252 | E | 98.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 73.1 Ų | 73.1 | 38% | 0.379 | 39% | 0.385 | S | S | . | . | trans | -71.2 | 143.3 | 177.2 | -68.7 | -178.3 | 144.1 | 0 | 0 | 112.4 | R233 V240 N242 R254 | R233-E252 IonicContact NH2-OE1 3.83Å; R233-E252 PolarHBondContact NH2-OE1 3.43Å; V240-E252 HydrophobicContact CG1-CB 4.01Å; V240-E252 HydrophobicContact CG1-CG 3.71Å; V240-E252 WeakPolarHBondContact CG1-OE1 3.38Å; N242-E252 WeakPolarHBondContact ND2-CG 3.43Å; E252-R254 HydrophobicContact CB-CG 4.34Å; E252-R254 IonicContact OE1-NH2 2.76Å; E252-R254 IonicContact OE2-CZ 3.83Å; E252-R254 IonicContact OE2-NE 3.89Å; E252-R254 PolarHBondContact OE2-NE 2.97Å; E252-R254 IonicContact OE2-NH2 3.75Å; E252-R254 PolarHBondContact OE2-NH2 2.9Å | ||
| 253 | E | 98.5 | Very high | 92.5 | Very high | 55 Ų | 55 | 75 Ų | 75 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -109.1 | 120.5 | 166.3 | -74.1 | 174.5 | -137.9 | 0 | 0 | 109.9 | R241 Y289 R292 | R241-E253 HydrophobicContact CB-CB 4.23Å; R241-E253 PolarHBondContact N-O 2.85Å; R241-E253 PolarHBondContact NH2-O 3.45Å; R241-E253 PolarHBondContact O-N 2.82Å; E253-Y289 HydrophobicContact CB-CE2 4.48Å; E253-Y289 HydrophobicContact CG-CE2 4.28Å; E253-Y289 WeakPolarHBondContact OE1-CE2 3.01Å; E253-Y289 WeakPolarHBondContact OE2-CD2 3.34Å; E253-R292 IonicContact OE1-CZ 3.98Å; E253-R292 IonicContact OE1-NE 2.83Å; E253-R292 IonicContact OE1-NH2 3.56Å; E253-R292 PolarHBondContact OE1-NH2 3.3Å |
| 254 | R | 98.2 | Very high | 91.5 | Very high | 103 Ų | 103 | 79.5 Ų | 79.5 | 39% | 0.389 | 43% | 0.426 | S | S | . | . | trans | -118.5 | -6.7 | -170.6 | -66.1 | -177.5 | 169.1 | -122.4 | 4.7 | 114.6 | E236 V238 V240 E252 | E236-R254 IonicContact OE2-CZ 2.86Å; E236-R254 IonicContact OE2-NH1 2.79Å; E236-R254 PolarHBondContact OE2-NH1 3.07Å; E236-R254 IonicContact OE2-NH2 3.72Å; V238-R254 HydrophobicContact CG2-CB 3.85Å; V238-R254 HydrophobicContact CG2-CG 4.38Å; V238-R254 WeakPolarHBondContact CG2-O 3.26Å; V240-R254 HydrophobicContact CG2-CG 4.25Å; E252-R254 HydrophobicContact CB-CG 4.34Å; E252-R254 IonicContact OE1-NH2 2.76Å; E252-R254 IonicContact OE2-CZ 3.83Å; E252-R254 IonicContact OE2-NE 3.89Å; E252-R254 PolarHBondContact OE2-NE 2.97Å; E252-R254 IonicContact OE2-NH2 3.75Å; E252-R254 PolarHBondContact OE2-NH2 2.9Å | ||
| 255 | G | 88.9 | Confident | 90.5 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 54% | 0.536 | 43% | 0.434 | S | S | . | . | trans | -74.3 | 161.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R241 H287 | R241-G255 PolarHBondContact NH2-O 3.47Å; G255-H287 PolarHBondContact O-CD2 3.48Å | ||
| 256 | G | 88.3 | Confident | 90.3 | Very high | 65 Ų | 65 | 77.4 Ų | 77.4 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 97.3 | -0.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 257 | G | 89.7 | Confident | 90.2 | Very high | 38 Ų | 38 | 68.6 Ų | 68.6 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | trans | 73 | -174.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P259 H287 | G257-P259 WeakPolarHBondContact O-CD 3.43Å; G257-H287 PolarHBondContact O-NE2 2.83Å | ||
| 258 | M | 96.3 | Very high | 90.7 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 14% | 0.138 | 36% | 0.358 | C | S | . | . | trans | -104.1 | 110.2 | -176.3 | 177.5 | 63.4 | 113.3 | 0 | 0 | 110.9 | P232 R233 F234 N237 V239 F260 | P232-M258 HydrophobicContact CB-CE 4.16Å; P232-M258 HydrophobicContact CB-SD 4.04Å; R233-M258 WeakPolarHBondContact O-CE 3.27Å; F234-M258 HydrophobicContact CB-CE 4.11Å; F234-M258 HydrophobicContact CD1-CE 3.38Å; F234-M258 HydrophobicContact CD2-CE 4.2Å; F234-M258 HydrophobicContact CE1-CE 3.69Å; F234-M258 HydrophobicContact CE1-SD 4.37Å; F234-M258 HydrophobicContact CE2-CE 4.46Å; F234-M258 HydrophobicContact CG-CE 3.64Å; F234-M258 HydrophobicContact CZ-CE 4.21Å; N237-M258 WeakPolarHBondContact OD1-CB 3.13Å; V239-M258 HydrophobicContact CG2-SD 4.03Å; M258-F260 VanDerWaalsContact CG-O 3.29Å; M258-F260 WeakPolarHBondContact CG-O 3.47Å; M258-F260 HydrophobicContact SD-CB 4.01Å; M258-F260 HydrophobicContact SD-CD2 4.09Å | ||
| 259 | P | 88.7 | Confident | 90.5 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 20% | 0.201 | 33% | 0.331 | C | S | . | . | trans | -92.9 | 1 | 178.5 | 38.1 | -37.5 | 0 | 0 | 0 | 113.3 | G257 V281 A286 | G257-P259 WeakPolarHBondContact O-CD 3.43Å; P259-V281 HydrophobicContact CB-CB 3.9Å; P259-V281 HydrophobicContact CB-CG1 3.88Å; P259-V281 HydrophobicContact CB-CG2 4.26Å; P259-V281 HydrophobicContact CG-CB 4Å; P259-V281 HydrophobicContact CG-CG1 4.08Å; P259-V281 HydrophobicContact CG-CG2 3.8Å; P259-A286 HydrophobicContact CB-CB 4.04Å; P259-A286 HydrophobicContact CG-CB 3.9Å | ||
| 260 | F | 92.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | trans | -107.8 | 144.9 | -179.2 | -57.8 | -83.8 | 0 | 0 | 0 | 110.7 | V209 F216 Y230 P232 F234 V239 M258 F266 V281 | V209-F260 HydrophobicContact CG2-CB 4.28Å; V209-F260 HydrophobicContact CG2-CD1 4.49Å; F216-F260 HydrophobicContact CE1-CD1 4.13Å; F216-F260 HydrophobicContact CE1-CD2 4.33Å; F216-F260 HydrophobicContact CE1-CE1 4.42Å; F216-F260 HydrophobicContact CE1-CG 4.09Å; F216-F260 AromaticContact CZ-CD1 3.98Å; F216-F260 HydrophobicContact CZ-CD1 3.98Å; F216-F260 HydrophobicContact CZ-CD2 4.31Å; F216-F260 AromaticContact CZ-CE1 3.81Å; F216-F260 HydrophobicContact CZ-CE1 3.81Å; F216-F260 HydrophobicContact CZ-CE2 4.16Å; F216-F260 HydrophobicContact CZ-CG 4.24Å; F216-F260 AromaticContact CZ-CZ 3.91Å; F216-F260 HydrophobicContact CZ-CZ 3.91Å; Y230-F260 AromaticContact CE1-CE2 3.7Å; Y230-F260 HydrophobicContact CE1-CE2 3.7Å; Y230-F260 AromaticContact CE1-CZ 3.91Å; Y230-F260 HydrophobicContact CE1-CZ 3.91Å; P232-F260 HydrophobicContact CB-CD2 3.78Å; P232-F260 HydrophobicContact CB-CE2 4.21Å; P232-F260 HydrophobicContact CG-CD2 3.53Å; P232-F260 HydrophobicContact CG-CE2 3.42Å; P232-F260 VanDerWaalsContact CG-CE2 3.42Å; P232-F260 HydrophobicContact CG-CG 4.47Å; P232-F260 HydrophobicContact CG-CZ 4.28Å; F234-F260 HydrophobicContact CE1-CB 3.76Å; F234-F260 HydrophobicContact CZ-CB 3.89Å; V239-F260 HydrophobicContact CG2-CD2 4.47Å; M258-F260 VanDerWaalsContact CG-O 3.29Å; M258-F260 WeakPolarHBondContact CG-O 3.47Å; M258-F260 HydrophobicContact SD-CB 4.01Å; M258-F260 HydrophobicContact SD-CD2 4.09Å; F260-F266 HydrophobicContact CD1-CB 3.86Å; F260-F266 HydrophobicContact CD1-CD1 4.33Å; F260-F266 HydrophobicContact CD1-CD2 4.24Å; F260-F266 AromaticContact CD1-CG 3.89Å; F260-F266 HydrophobicContact CD1-CG 3.89Å; F260-F266 HydrophobicContact CE1-CB 3.95Å; F260-F266 AromaticContact CE1-CD2 3.66Å; F260-F266 HydrophobicContact CE1-CD2 3.66Å; F260-F266 HydrophobicContact CE1-CE2 4.28Å; F260-F266 AromaticContact CE1-CG 3.79Å; F260-F266 HydrophobicContact CE1-CG 3.79Å; F260-V281 HydrophobicContact CD1-CG1 4.16Å; F260-V281 HydrophobicContact CE1-CG1 3.71Å; F260-V281 HydrophobicContact CE1-CG2 4.2Å; F260-V281 HydrophobicContact CE2-CG2 4.06Å; F260-V281 HydrophobicContact CZ-CB 4.42Å; F260-V281 HydrophobicContact CZ-CG1 3.9Å; F260-V281 HydrophobicContact CZ-CG2 3.56Å | ||
| 261 | H | 84.9 | Confident | 90.4 | Very high | 102 Ų | 102 | 49.3 Ų | 49.3 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | trans | -128 | 139.1 | 178.1 | -57.9 | -71.2 | 0 | 0 | 0 | 110.4 | V209 G263 Q264 | V209-H261 WeakPolarHBondContact CB-O 3.47Å; H261-G263 PolarHBondContact O-N 3.44Å; H261-Q264 HydrophobicContact CB-CB 4.16Å; H261-Q264 VanDerWaalsContact CB-CD 3.5Å; H261-Q264 HydrophobicContact CB-CG 3.82Å; H261-Q264 PolarHBondContact CD2-OE1 3.01Å; H261-Q264 VanDerWaalsContact CD2-OE1 3.26Å; H261-Q264 WeakPolarHBondContact O-CB 3.37Å; H261-Q264 PolarHBondContact O-N 3.22Å; H261-Q264 VanDerWaalsContact O-N 3.13Å | ||
| 262 | R | 88.6 | Confident | 90.3 | Very high | 123 Ų | 123 | 45.1 Ų | 45.1 | 46% | 0.464 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 135 | 175.6 | -75.5 | 170.4 | 175.9 | 140.4 | -0 | 110.7 | P211 A213 F234 Q264 | P211-R262 WeakPolarHBondContact O-CB 3.24Å; P211-R262 WeakPolarHBondContact O-CD 3.42Å; A213-R262 HydrophobicContact CB-CG 4.29Å; A213-R262 VanDerWaalsContact O-CZ 3.32Å; A213-R262 PolarHBondContact O-NE 2.94Å; A213-R262 PolarHBondContact O-NH2 2.83Å; F234-R262 VanDerWaalsContact CB-NH2 3.35Å; F234-R262 HydrophobicContact CD1-CG 4.02Å; F234-R262 HydrophobicContact CG-CG 4.36Å; R262-Q264 PolarHBondContact O-N 2.89Å |
| 263 | G | 75.8 | Confident | 90.1 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | -1.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | V209 H261 | V209-G263 WeakPolarHBondContact O-CA 2.95Å; V209-G263 PolarHBondContact O-N 3.04Å; H261-G263 PolarHBondContact O-N 3.44Å |
| 264 | Q | 76.4 | Confident | 89.9 | Confident | 100 Ų | 100 | 46.6 Ų | 46.6 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | trans | -99.2 | 145.8 | -179.4 | -63.9 | -167 | -6.4 | 0 | 0 | 112.3 | V209 H261 R262 | V209-Q264 PolarHBondContact N-O 2.96Å; H261-Q264 HydrophobicContact CB-CB 4.16Å; H261-Q264 VanDerWaalsContact CB-CD 3.5Å; H261-Q264 HydrophobicContact CB-CG 3.82Å; H261-Q264 PolarHBondContact CD2-OE1 3.01Å; H261-Q264 VanDerWaalsContact CD2-OE1 3.26Å; H261-Q264 WeakPolarHBondContact O-CB 3.37Å; H261-Q264 PolarHBondContact O-N 3.22Å; H261-Q264 VanDerWaalsContact O-N 3.13Å; R262-Q264 PolarHBondContact O-N 2.89Å | ||
| 265 | S | 77.5 | Confident | 89.7 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 150 | 165.5 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | G207 | G207-S265 CarbonylContact O-C 3.58Å; G207-S265 VanDerWaalsContact O-CA 3.24Å; G207-S265 WeakPolarHBondContact O-CA 3.15Å |
| 266 | F | 87.6 | Confident | 90.2 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 154.7 | 174 | 71.8 | -90.4 | 0 | 0 | 0 | 111.5 | I205 Q206 G207 V209 F216 F260 L268 N282 I308 | I205-F266 HydrophobicContact CG2-CE2 4.04Å; I205-F266 HydrophobicContact CG2-CZ 4.36Å; Q206-F266 WeakPolarHBondContact CA-O 3.43Å; G207-F266 PolarHBondContact N-O 2.91Å; G207-F266 WeakPolarHBondContact O-CD1 3.32Å; G207-F266 PolarHBondContact O-N 3.16Å; V209-F266 HydrophobicContact CG2-CD1 3.8Å; V209-F266 HydrophobicContact CG2-CE1 4.21Å; F216-F266 HydrophobicContact CE2-CZ 4.47Å; F216-F266 HydrophobicContact CZ-CZ 4.38Å; F260-F266 HydrophobicContact CD1-CB 3.86Å; F260-F266 HydrophobicContact CD1-CD1 4.33Å; F260-F266 HydrophobicContact CD1-CD2 4.24Å; F260-F266 AromaticContact CD1-CG 3.89Å; F260-F266 HydrophobicContact CD1-CG 3.89Å; F260-F266 HydrophobicContact CE1-CB 3.95Å; F260-F266 AromaticContact CE1-CD2 3.66Å; F260-F266 HydrophobicContact CE1-CD2 3.66Å; F260-F266 HydrophobicContact CE1-CE2 4.28Å; F260-F266 AromaticContact CE1-CG 3.79Å; F260-F266 HydrophobicContact CE1-CG 3.79Å; F266-L268 HydrophobicContact CD2-CB 4.05Å; F266-L268 HydrophobicContact CE2-CB 4.07Å; F266-N282 VanDerWaalsContact CA-OD1 3.28Å; F266-N282 WeakPolarHBondContact CA-OD1 3.4Å; F266-I308 HydrophobicContact CE1-CB 4.33Å; F266-I308 HydrophobicContact CE1-CD1 4.45Å; F266-I308 HydrophobicContact CE1-CG2 4.01Å; F266-I308 HydrophobicContact CZ-CD1 4.02Å; F266-I308 HydrophobicContact CZ-CG2 4.48Å |
| 267 | T | 87.4 | Confident | 90.6 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113.8 | 161 | -62.8 | 0 | 0 | 0 | 0 | 108 | T204 I205 Q206 V281 N282 | T204-T267 HydrophobicContact CG2-CG2 3.8Å; I205-T267 CarbonylContact O-C 3.47Å; I205-T267 WeakPolarHBondContact O-CA 3.2Å; Q206-T267 HydrophobicContact CG-CG2 4.08Å; Q206-T267 PolarHBondContact NE2-OG1 2.83Å; T267-V281 CarbonylContact O-C 3.59Å; T267-V281 WeakPolarHBondContact O-CA 3.31Å; T267-N282 PolarHBondContact N-OD1 3.14Å; T267-N282 PolarHBondContact O-N 3.14Å |
| 268 | L | 97.1 | Very high | 91 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.2 | 171.1 | 169.9 | 62.3 | 0 | 0 | 0 | 108.3 | T204 I205 M218 Y230 F266 V270 L279 V281 | T204-L268 CarbonylContact C-O 3.55Å; T204-L268 WeakPolarHBondContact CA-O 3.43Å; I205-L268 HydrophobicContact CB-CB 4.39Å; I205-L268 HydrophobicContact CD1-CD2 4.28Å; I205-L268 PolarHBondContact N-O 2.85Å; I205-L268 PolarHBondContact O-N 2.74Å; M218-L268 HydrophobicContact CE-CD2 4.49Å; Y230-L268 HydrophobicContact CD1-CD2 4.07Å; Y230-L268 HydrophobicContact CE1-CD1 4.24Å; Y230-L268 HydrophobicContact CE1-CD2 4.1Å; F266-L268 HydrophobicContact CD2-CB 4.05Å; F266-L268 HydrophobicContact CE2-CB 4.07Å; L268-V270 HydrophobicContact CG-CG2 4.35Å; L268-L279 HydrophobicContact CD1-CD1 4.44Å; L268-V281 HydrophobicContact CD1-CG2 3.82Å |
| 269 | T | 91.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.6 | 174.6 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | T202 I203 I271 V280 | T202-T269 HydrophobicContact CG2-CG2 3.23Å; I203-T269 CarbonylContact O-C 3.38Å; I203-T269 WeakPolarHBondContact O-CA 3.28Å; T269-I271 HydrophobicContact CG2-CG1 4.04Å; T269-V280 PolarHBondContact N-O 3.35Å; T269-V280 PolarHBondContact O-N 3.46Å |
| 270 | V | 98.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.7 | 176 | -171.6 | 0 | 0 | 0 | 0 | 108 | T202 I203 M218 L220 L228 L268 F277 L279 | T202-V270 CarbonylContact C-O 3.57Å; T202-V270 VanDerWaalsContact CA-O 3.27Å; T202-V270 WeakPolarHBondContact CA-O 3.22Å; I203-V270 HydrophobicContact CB-CB 4.32Å; I203-V270 PolarHBondContact N-O 2.86Å; I203-V270 PolarHBondContact O-N 2.89Å; M218-V270 HydrophobicContact CE-CG2 3.56Å; L220-V270 HydrophobicContact CD1-CG1 4.15Å; L228-V270 HydrophobicContact CD2-CG1 4.45Å; L268-V270 HydrophobicContact CG-CG2 4.35Å; V270-F277 HydrophobicContact CG1-CB 4.35Å; V270-F277 HydrophobicContact CG1-CD1 4.11Å; V270-F277 HydrophobicContact CG1-CG 4.49Å; V270-L279 HydrophobicContact CB-CD1 4.14Å; V270-L279 HydrophobicContact CG1-CD1 3.81Å; V270-L279 HydrophobicContact CG2-CD1 3.76Å |
| 271 | I | 95.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.9 | 178.2 | -53.8 | 170.3 | 0 | 0 | 0 | 107.3 | T202 T269 E273 F277 R278 V280 | T202-I271 HydrophobicContact CG2-CG1 4.24Å; T269-I271 HydrophobicContact CG2-CG1 4.04Å; I271-E273 HydrophobicContact CG2-CG 4.37Å; I271-F277 WeakPolarHBondContact O-CA 3.36Å; I271-R278 HydrophobicContact CB-CB 4.32Å; I271-R278 PolarHBondContact N-O 2.88Å; I271-R278 PolarHBondContact O-N 2.79Å; I271-V280 HydrophobicContact CD1-CG2 4.2Å |
| 272 | C | 96.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.3 | 172.2 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | L197 Q198 P199 G200 R201 F277 | L197-C272 HydrophobicContact CB-CB 4.49Å; Q198-C272 WeakPolarHBondContact O-CB 3.25Å; P199-C272 CarbonylContact C-O 3.51Å; P199-C272 WeakPolarHBondContact CA-O 3.47Å; G200-C272 PolarHBondContact N-O 3.36Å; R201-C272 WeakPolarHBondContact O-CB 3.39Å; R201-C272 PolarHBondContact O-N 2.82Å; C272-F277 HydrophobicContact CB-CD1 4.23Å; C272-F277 HydrophobicContact CB-CE1 4.08Å |
| 273 | E | 95.1 | Very high | 89.4 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | trans | -106.4 | -179.5 | 172.4 | -73.4 | 166.5 | -130.8 | 0 | 0 | 110.8 | I271 N275 L276 R278 H291 | I271-E273 HydrophobicContact CG2-CG 4.37Å; E273-N275 VanDerWaalsContact C-N 3.29Å; E273-N275 PolarHBondContact O-N 3.1Å; E273-L276 WeakPolarHBondContact CA-O 3.29Å; E273-L276 HydrophobicContact CB-CD1 4.3Å; E273-L276 WeakPolarHBondContact CB-O 3.41Å; E273-L276 PolarHBondContact N-O 2.88Å; E273-R278 VanDerWaalsContact CD-CZ 3.44Å; E273-R278 WeakPolarHBondContact OE1-CB 3.47Å; E273-R278 IonicContact OE1-CZ 2.87Å; E273-R278 IonicContact OE1-NE 3.82Å; E273-R278 PolarHBondContact OE1-NE 3.44Å; E273-R278 IonicContact OE1-NH1 3.68Å; E273-R278 PolarHBondContact OE1-NH1 3.25Å; E273-R278 IonicContact OE1-NH2 2.6Å; E273-R278 PolarHBondContact OE1-NH2 2.79Å; E273-R278 IonicContact OE2-CZ 2.69Å; E273-R278 IonicContact OE2-NH2 2.75Å; E273-R278 PolarHBondContact OE2-NH2 3.41Å; E273-H291 PolarHBondContact O-NE2 2.78Å | ||
| 274 | N | 92.7 | Very high | 89.1 | Confident | 120 Ų | 120 | 40.8 Ų | 40.8 | 64% | 0.642 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -57.4 | -40.7 | 179.6 | -68.4 | -35.3 | 0 | 0 | 0 | 112.8 | P199 H291 | P199-N274 WeakPolarHBondContact CB-OD1 3.46Å; P199-N274 WeakPolarHBondContact CG-OD1 3.12Å; N274-H291 PolarHBondContact O-CD2 2.77Å |
| 275 | N | 95.1 | Very high | 89.8 | Confident | 123 Ų | 123 | 41.9 Ų | 41.9 | 66% | 0.658 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -121.3 | -11.2 | -170.7 | -61.1 | -34.5 | 0 | 0 | 0 | 114.5 | E273 H291 | E273-N275 VanDerWaalsContact C-N 3.29Å; E273-N275 PolarHBondContact O-N 3.1Å; N275-H291 PolarHBondContact O-N 3.05Å |
| 276 | L | 98.2 | Very high | 90.1 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 164.2 | -174.4 | 60.2 | 81.9 | 0 | 0 | 0 | 112.3 | E273 R278 T288 Y289 H291 | E273-L276 WeakPolarHBondContact CA-O 3.29Å; E273-L276 HydrophobicContact CB-CD1 4.3Å; E273-L276 WeakPolarHBondContact CB-O 3.41Å; E273-L276 PolarHBondContact N-O 2.88Å; L276-R278 HydrophobicContact CD1-CB 4.03Å; L276-T288 HydrophobicContact CD1-CG2 4.2Å; L276-T288 HydrophobicContact CD2-CG2 4.43Å; L276-Y289 CarbonylContact C-O 3.48Å; L276-Y289 WeakPolarHBondContact CA-O 3.18Å; L276-Y289 VanDerWaalsContact CB-O 3.3Å; L276-Y289 WeakPolarHBondContact CB-O 3.37Å; L276-H291 PolarHBondContact N-CD2 3.08Å; L276-H291 PolarHBondContact N-NE2 3.22Å; L276-H291 PolarHBondContact O-CE1 3.04Å; L276-H291 PolarHBondContact O-NE2 2.8Å |
| 277 | F | 98.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.1 | 158.2 | -60.6 | -68.6 | 0 | 0 | 0 | 109.3 | L197 L220 L228 V270 I271 C272 L279 T288 Y289 H291 L296 I299 | L197-F277 HydrophobicContact CD1-CE1 3.67Å; L197-F277 HydrophobicContact CD1-CZ 4.06Å; L220-F277 HydrophobicContact CD1-CD1 4.29Å; L220-F277 HydrophobicContact CD1-CE1 3.96Å; L220-F277 HydrophobicContact CD1-CZ 4.11Å; L228-F277 HydrophobicContact CB-CD2 4.12Å; L228-F277 HydrophobicContact CB-CE2 4.06Å; L228-F277 HydrophobicContact CD2-CB 4.13Å; L228-F277 HydrophobicContact CD2-CD2 3.89Å; L228-F277 HydrophobicContact CD2-CG 4Å; L228-F277 HydrophobicContact CG-CD2 4.48Å; V270-F277 HydrophobicContact CG1-CB 4.35Å; V270-F277 HydrophobicContact CG1-CD1 4.11Å; V270-F277 HydrophobicContact CG1-CG 4.49Å; I271-F277 WeakPolarHBondContact O-CA 3.36Å; C272-F277 HydrophobicContact CB-CD1 4.23Å; C272-F277 HydrophobicContact CB-CE1 4.08Å; F277-L279 HydrophobicContact CB-CD2 3.95Å; F277-L279 WeakPolarHBondContact O-CD2 3.31Å; F277-T288 CarbonylContact O-C 3.56Å; F277-T288 VanDerWaalsContact O-CA 3.26Å; F277-T288 WeakPolarHBondContact O-CA 3.27Å; F277-Y289 HydrophobicContact CD2-CD1 4.2Å; F277-Y289 PolarHBondContact N-O 2.74Å; F277-Y289 PolarHBondContact O-N 3.45Å; F277-H291 AromaticContact CD1-CE1 3.78Å; F277-H291 AromaticContact CD2-CE1 3.81Å; F277-H291 AromaticContact CD2-ND1 3.57Å; F277-H291 AromaticContact CE1-CE1 3.65Å; F277-H291 AromaticContact CE2-CE1 3.71Å; F277-H291 AromaticContact CE2-ND1 3.35Å; F277-H291 WeakPolarHBondContact CE2-ND1 3.18Å; F277-H291 AromaticContact CG-CE1 3.85Å; F277-H291 AromaticContact CZ-CE1 3.61Å; F277-H291 AromaticContact CZ-ND1 3.66Å; F277-H291 PolarHBondContact N-CE1 3.09Å; F277-L296 HydrophobicContact CZ-CD2 4.46Å; F277-I299 HydrophobicContact CZ-CD1 3.87Å |
| 278 | R | 98 | Very high | 91.1 | Very high | 84 Ų | 84 | 42.6 Ų | 42.6 | 32% | 0.317 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.1 | 166.9 | -176.5 | -168.7 | -59.3 | 141.9 | 3.7 | 109 | I271 E273 L276 V280 Q285 | I271-R278 HydrophobicContact CB-CB 4.32Å; I271-R278 PolarHBondContact N-O 2.88Å; I271-R278 PolarHBondContact O-N 2.79Å; E273-R278 VanDerWaalsContact CD-CZ 3.44Å; E273-R278 WeakPolarHBondContact OE1-CB 3.47Å; E273-R278 IonicContact OE1-CZ 2.87Å; E273-R278 IonicContact OE1-NE 3.82Å; E273-R278 PolarHBondContact OE1-NE 3.44Å; E273-R278 IonicContact OE1-NH1 3.68Å; E273-R278 PolarHBondContact OE1-NH1 3.25Å; E273-R278 IonicContact OE1-NH2 2.6Å; E273-R278 PolarHBondContact OE1-NH2 2.79Å; E273-R278 IonicContact OE2-CZ 2.69Å; E273-R278 IonicContact OE2-NH2 2.75Å; E273-R278 PolarHBondContact OE2-NH2 3.41Å; L276-R278 HydrophobicContact CD1-CB 4.03Å; R278-V280 HydrophobicContact CG-CG2 4.24Å; R278-Q285 HydrophobicContact CG-CG 3.94Å |
| 279 | L | 98 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.7 | -176.2 | -61.8 | -58.8 | 0 | 0 | 0 | 108 | L228 Y230 L268 V270 F277 A286 H287 | L228-L279 HydrophobicContact CD2-CD1 4.19Å; Y230-L279 HydrophobicContact CD2-CD1 4.22Å; Y230-L279 HydrophobicContact CD2-CG 3.95Å; Y230-L279 HydrophobicContact CE2-CB 4.1Å; Y230-L279 HydrophobicContact CE2-CD1 4.35Å; Y230-L279 HydrophobicContact CE2-CG 3.74Å; L268-L279 HydrophobicContact CD1-CD1 4.44Å; V270-L279 HydrophobicContact CB-CD1 4.14Å; V270-L279 HydrophobicContact CG1-CD1 3.81Å; V270-L279 HydrophobicContact CG2-CD1 3.76Å; F277-L279 HydrophobicContact CB-CD2 3.95Å; F277-L279 WeakPolarHBondContact O-CD2 3.31Å; L279-A286 PolarHBondContact O-N 2.93Å; L279-H287 HydrophobicContact CB-CB 4.05Å; L279-H287 WeakPolarHBondContact CB-O 3.43Å; L279-H287 HydrophobicContact CD2-CB 4.46Å; L279-H287 HydrophobicContact CG-CB 4.39Å; L279-H287 PolarHBondContact N-O 2.85Å; L279-H287 PolarHBondContact O-N 3.13Å |
| 280 | V | 88.3 | Confident | 91.5 | Very high | 22 Ų | 22 | 46 Ų | 46 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.9 | -179.7 | -179.3 | 0 | 0 | 0 | 0 | 108 | T269 I271 R278 G283 M284 | T269-V280 PolarHBondContact N-O 3.35Å; T269-V280 PolarHBondContact O-N 3.46Å; I271-V280 HydrophobicContact CD1-CG2 4.2Å; R278-V280 HydrophobicContact CG-CG2 4.24Å; V280-G283 VanDerWaalsContact CG1-C 3.42Å; V280-M284 CarbonylContact C-O 3.52Å; V280-M284 WeakPolarHBondContact CA-O 3.35Å; V280-M284 WeakPolarHBondContact CG1-O 3.37Å |
| 281 | V | 85.1 | Confident | 91.5 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.8 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | P259 F260 T267 L268 G283 M284 A286 | P259-V281 HydrophobicContact CB-CB 3.9Å; P259-V281 HydrophobicContact CB-CG1 3.88Å; P259-V281 HydrophobicContact CB-CG2 4.26Å; P259-V281 HydrophobicContact CG-CB 4Å; P259-V281 HydrophobicContact CG-CG1 4.08Å; P259-V281 HydrophobicContact CG-CG2 3.8Å; F260-V281 HydrophobicContact CD1-CG1 4.16Å; F260-V281 HydrophobicContact CE1-CG1 3.71Å; F260-V281 HydrophobicContact CE1-CG2 4.2Å; F260-V281 HydrophobicContact CE2-CG2 4.06Å; F260-V281 HydrophobicContact CZ-CB 4.42Å; F260-V281 HydrophobicContact CZ-CG1 3.9Å; F260-V281 HydrophobicContact CZ-CG2 3.56Å; T267-V281 CarbonylContact O-C 3.59Å; T267-V281 WeakPolarHBondContact O-CA 3.31Å; L268-V281 HydrophobicContact CD1-CG2 3.82Å; V281-G283 PolarHBondContact O-N 2.98Å; V281-M284 PolarHBondContact N-O 3.02Å; V281-M284 PolarHBondContact O-N 2.87Å; V281-A286 HydrophobicContact CB-CB 4.1Å; V281-A286 HydrophobicContact CG2-CB 3.87Å |
| 282 | N | 77.2 | Confident | 91.6 | Very high | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.4 | -178.9 | -60.9 | -27.3 | 0 | 0 | 0 | 113.3 | F266 T267 M284 | F266-N282 VanDerWaalsContact CA-OD1 3.28Å; F266-N282 WeakPolarHBondContact CA-OD1 3.4Å; T267-N282 PolarHBondContact N-OD1 3.14Å; T267-N282 PolarHBondContact O-N 3.14Å; N282-M284 VanDerWaalsContact C-N 3.29Å; N282-M284 PolarHBondContact O-N 3.18Å |
| 283 | G | 67.1 | Low | 91.6 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -8.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V280 V281 | V280-G283 VanDerWaalsContact CG1-C 3.42Å; V281-G283 PolarHBondContact O-N 2.98Å |
| 284 | M | 68.9 | Low | 91.6 | Very high | 136 Ų | 136 | 54 Ų | 54 | 67% | 0.67 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.7 | 175.4 | -63 | -167.7 | -62.4 | 0 | 0 | 110.9 | V280 V281 N282 A286 | V280-M284 CarbonylContact C-O 3.52Å; V280-M284 WeakPolarHBondContact CA-O 3.35Å; V280-M284 WeakPolarHBondContact CG1-O 3.37Å; V281-M284 PolarHBondContact N-O 3.02Å; V281-M284 PolarHBondContact O-N 2.87Å; N282-M284 VanDerWaalsContact C-N 3.29Å; N282-M284 PolarHBondContact O-N 3.18Å; M284-A286 PolarHBondContact O-N 2.85Å |
| 285 | Q | 91.1 | Very high | 91.7 | Very high | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 111.3 | 172.1 | -177 | -176.6 | -68.3 | 0 | 0 | 109 | R278 | R278-Q285 HydrophobicContact CG-CG 3.94Å |
| 286 | A | 84 | Confident | 91.8 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 21% | 0.207 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -43 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | P259 L279 V281 M284 | P259-A286 HydrophobicContact CB-CB 4.04Å; P259-A286 HydrophobicContact CG-CB 3.9Å; L279-A286 PolarHBondContact O-N 2.93Å; V281-A286 HydrophobicContact CB-CB 4.1Å; V281-A286 HydrophobicContact CG2-CB 3.87Å; M284-A286 PolarHBondContact O-N 2.85Å |
| 287 | H | 97.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 158.4 | -174.2 | -52.4 | 101.6 | 0 | 0 | 0 | 111.7 | Y230 G255 G257 L279 | Y230-H287 HydrophobicContact CE2-CB 4.35Å; Y230-H287 AromaticContact CE2-ND1 3.58Å; Y230-H287 AromaticContact CZ-ND1 3.59Å; Y230-H287 PolarHBondContact OH-CE1 3.41Å; Y230-H287 VanDerWaalsContact OH-CE1 3.23Å; Y230-H287 PolarHBondContact OH-ND1 3.31Å; G255-H287 PolarHBondContact O-CD2 3.48Å; G257-H287 PolarHBondContact O-NE2 2.83Å; L279-H287 HydrophobicContact CB-CB 4.05Å; L279-H287 WeakPolarHBondContact CB-O 3.43Å; L279-H287 HydrophobicContact CD2-CB 4.46Å; L279-H287 HydrophobicContact CG-CB 4.39Å; L279-H287 PolarHBondContact N-O 2.85Å; L279-H287 PolarHBondContact O-N 3.13Å |
| 288 | T | 98 | Very high | 91.4 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 160.3 | 161.3 | 55.1 | 0 | 0 | 0 | 0 | 109 | R241 L276 F277 | R241-T288 PolarHBondContact NH1-O 3.37Å; L276-T288 HydrophobicContact CD1-CG2 4.2Å; L276-T288 HydrophobicContact CD2-CG2 4.43Å; F277-T288 CarbonylContact O-C 3.56Å; F277-T288 VanDerWaalsContact O-CA 3.26Å; F277-T288 WeakPolarHBondContact O-CA 3.27Å |
| 289 | Y | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 113.4 | 173.4 | -171.3 | -103.5 | 0 | 0 | 0 | 109.6 | L228 R241 N242 T243 E253 L276 F277 R292 | L228-Y289 HydrophobicContact CD1-CD1 3.63Å; L228-Y289 HydrophobicContact CD1-CD2 4.34Å; L228-Y289 HydrophobicContact CD1-CE1 4.06Å; L228-Y289 HydrophobicContact CD1-CG 3.76Å; R241-Y289 HydrophobicContact CB-CD2 3.59Å; R241-Y289 HydrophobicContact CB-CE2 3.78Å; R241-Y289 HydrophobicContact CB-CG 4.44Å; R241-Y289 HydrophobicContact CG-CD2 4.34Å; N242-Y289 WeakPolarHBondContact CA-OH 3.16Å; T243-Y289 PolarHBondContact N-OH 3Å; T243-Y289 VanDerWaalsContact N-OH 3.12Å; T243-Y289 PolarHBondContact OG1-OH 3.18Å; E253-Y289 HydrophobicContact CB-CE2 4.48Å; E253-Y289 HydrophobicContact CG-CE2 4.28Å; E253-Y289 WeakPolarHBondContact OE1-CE2 3.01Å; E253-Y289 WeakPolarHBondContact OE2-CD2 3.34Å; L276-Y289 CarbonylContact C-O 3.48Å; L276-Y289 WeakPolarHBondContact CA-O 3.18Å; L276-Y289 VanDerWaalsContact CB-O 3.3Å; L276-Y289 WeakPolarHBondContact CB-O 3.37Å; F277-Y289 HydrophobicContact CD2-CD1 4.2Å; F277-Y289 PolarHBondContact N-O 2.74Å; F277-Y289 PolarHBondContact O-N 3.45Å; Y289-R292 HydrophobicContact CE1-CG 4.29Å; Y289-R292 WeakPolarHBondContact OH-CD 3.46Å; Y289-R292 PolarHBondContact OH-NE 3.48Å; Y289-R292 VanDerWaalsContact OH-NE 3.08Å |
| 290 | N | 98.6 | Very high | 91 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.4 | 179.4 | -69.4 | -44.4 | 0 | 0 | 0 | 110.6 | R292 | N290-R292 PolarHBondContact O-N 3.38Å |
| 291 | H | 98 | Very high | 91.1 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 12% | 0.12 | 29% | 0.286 | C | S | . | . | trans | -61.9 | 113.6 | -179.8 | -66.3 | -29.7 | 0 | 0 | 0 | 110.2 | E273 N274 N275 L276 F277 T294 | E273-H291 PolarHBondContact O-NE2 2.78Å; N274-H291 PolarHBondContact O-CD2 2.77Å; N275-H291 PolarHBondContact O-N 3.05Å; L276-H291 PolarHBondContact N-CD2 3.08Å; L276-H291 PolarHBondContact N-NE2 3.22Å; L276-H291 PolarHBondContact O-CE1 3.04Å; L276-H291 PolarHBondContact O-NE2 2.8Å; F277-H291 AromaticContact CD1-CE1 3.78Å; F277-H291 AromaticContact CD2-CE1 3.81Å; F277-H291 AromaticContact CD2-ND1 3.57Å; F277-H291 AromaticContact CE1-CE1 3.65Å; F277-H291 AromaticContact CE2-CE1 3.71Å; F277-H291 AromaticContact CE2-ND1 3.35Å; F277-H291 WeakPolarHBondContact CE2-ND1 3.18Å; F277-H291 AromaticContact CG-CE1 3.85Å; F277-H291 AromaticContact CZ-CE1 3.61Å; F277-H291 AromaticContact CZ-ND1 3.66Å; F277-H291 PolarHBondContact N-CE1 3.09Å; H291-T294 HydrophobicContact CB-CG2 4.46Å | ||
| 292 | R | 97.9 | Very high | 91.7 | Very high | 83 Ų | 83 | 53 Ų | 53 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -93.5 | -18 | 167.9 | -55.3 | -167.9 | -170.8 | 170.2 | 4.9 | 112.5 | N242 T243 S251 E253 Y289 N290 | N242-R292 PolarHBondContact OD1-NH1 2.8Å; T243-R292 HydrophobicContact CG2-CB 4.19Å; T243-R292 WeakPolarHBondContact OG1-CB 3.33Å; S251-R292 VanDerWaalsContact O-CZ 3.28Å; S251-R292 PolarHBondContact O-NH1 2.88Å; S251-R292 PolarHBondContact O-NH2 2.82Å; E253-R292 IonicContact OE1-CZ 3.98Å; E253-R292 IonicContact OE1-NE 2.83Å; E253-R292 IonicContact OE1-NH2 3.56Å; E253-R292 PolarHBondContact OE1-NH2 3.3Å; Y289-R292 HydrophobicContact CE1-CG 4.29Å; Y289-R292 WeakPolarHBondContact OH-CD 3.46Å; Y289-R292 PolarHBondContact OH-NE 3.48Å; Y289-R292 VanDerWaalsContact OH-NE 3.08Å; N290-R292 PolarHBondContact O-N 3.38Å |
| 293 | F | 96.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | trans | -118.5 | 114.6 | 169.6 | -176.9 | -97.3 | 0 | 0 | 0 | 108.2 | H222 A227 P295 N298 I299 | H222-F293 HydrophobicContact CB-CE1 4Å; H222-F293 HydrophobicContact CB-CZ 4.02Å; H222-F293 AromaticContact CE1-CD2 3.93Å; H222-F293 AromaticContact CE1-CE2 3.71Å; H222-F293 AromaticContact CG-CE1 3.93Å; H222-F293 AromaticContact CG-CE2 3.98Å; H222-F293 AromaticContact CG-CZ 3.71Å; H222-F293 AromaticContact ND1-CE2 3.71Å; H222-F293 AromaticContact ND1-CZ 3.78Å; H222-F293 AromaticContact NE2-CD2 3.78Å; H222-F293 AromaticContact NE2-CE2 3.97Å; A227-F293 HydrophobicContact CB-CB 3.91Å; A227-F293 HydrophobicContact CB-CD1 4.09Å; A227-F293 HydrophobicContact CB-CG 4.28Å; F293-P295 HydrophobicContact CE1-CB 3.91Å; F293-P295 HydrophobicContact CE1-CG 4.24Å; F293-P295 WeakPolarHBondContact CE1-O 3.42Å; F293-P295 HydrophobicContact CE2-CG 4.15Å; F293-P295 HydrophobicContact CZ-CB 3.84Å; F293-P295 HydrophobicContact CZ-CG 3.89Å; F293-N298 HydrophobicContact CE1-CB 4.03Å; F293-N298 HydrophobicContact CZ-CB 4.03Å; F293-I299 HydrophobicContact CD1-CD1 3.93Å; F293-I299 HydrophobicContact CD1-CG1 3.61Å; F293-I299 HydrophobicContact CE1-CG1 3.77Å | ||
| 294 | T | 95 | Very high | 94.2 | Very high | 107 Ų | 107 | 52 Ų | 52 | 66% | 0.656 | 27% | 0.272 | S | S | * | . | trans | -97.7 | -18.4 | -170.8 | 54.5 | 0 | 0 | 0 | 0 | 115.7 | H291 L296 | H291-T294 HydrophobicContact CB-CG2 4.46Å; T294-L296 PolarHBondContact O-N 2.84Å | ||
| 295 | P | 95.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | trans | -70.7 | 70.1 | 169.7 | -20.2 | 34.4 | 0 | 0 | 0 | 112 | F293 Q297 N298 | F293-P295 HydrophobicContact CE1-CB 3.91Å; F293-P295 HydrophobicContact CE1-CG 4.24Å; F293-P295 WeakPolarHBondContact CE1-O 3.42Å; F293-P295 HydrophobicContact CE2-CG 4.15Å; F293-P295 HydrophobicContact CZ-CB 3.84Å; F293-P295 HydrophobicContact CZ-CG 3.89Å; P295-Q297 PolarHBondContact O-N 3.09Å; P295-Q297 VanDerWaalsContact O-N 3.12Å; P295-N298 HydrophobicContact CB-CB 4.26Å; P295-N298 WeakPolarHBondContact O-CB 3.45Å; P295-N298 PolarHBondContact O-N 3.28Å | ||
| 296 | L | 95.7 | Very high | 95.8 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -55.8 | -35.4 | -169.5 | -60.8 | 176.8 | 0 | 0 | 0 | 113.5 | L197 P199 F277 T294 N298 I299 | L197-L296 HydrophobicContact CB-CB 4.28Å; L197-L296 WeakPolarHBondContact CB-O 3.49Å; L197-L296 PolarHBondContact N-O 2.92Å; L197-L296 CarbonylContact O-C 3.57Å; L197-L296 VanDerWaalsContact O-CB 3.29Å; L197-L296 WeakPolarHBondContact O-CB 3.48Å; P199-L296 HydrophobicContact CG-CD1 4.3Å; F277-L296 HydrophobicContact CZ-CD2 4.46Å; T294-L296 PolarHBondContact O-N 2.84Å; L296-N298 PolarHBondContact O-N 2.88Å; L296-I299 HydrophobicContact CD2-CD1 3.84Å; L296-I299 VanDerWaalsContact O-CB 3.3Å; L296-I299 WeakPolarHBondContact O-CB 3.45Å; L296-I299 PolarHBondContact O-N 3.26Å |
| 297 | Q | 94.3 | Very high | 96.5 | Very high | 132 Ų | 132 | 45.1 Ų | 45.1 | 62% | 0.617 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -65.6 | -20 | 177.5 | -62.2 | -168 | -5.5 | 0 | 0 | 113.3 | G196 L197 P295 I299 | G196-Q297 WeakPolarHBondContact CA-O 3.37Å; L197-Q297 PolarHBondContact O-N 2.95Å; P295-Q297 PolarHBondContact O-N 3.09Å; P295-Q297 VanDerWaalsContact O-N 3.12Å; Q297-I299 VanDerWaalsContact C-N 3.31Å |
| 298 | N | 94.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 45 Ų | 45 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -84.5 | -9 | 175.1 | -61.7 | -4.9 | 0 | 0 | 0 | 112.3 | H222 F293 P295 L296 N300 | H222-N298 WeakPolarHBondContact CA-O 3.39Å; H222-N298 WeakPolarHBondContact CB-O 3.4Å; F293-N298 HydrophobicContact CE1-CB 4.03Å; F293-N298 HydrophobicContact CZ-CB 4.03Å; P295-N298 HydrophobicContact CB-CB 4.26Å; P295-N298 WeakPolarHBondContact O-CB 3.45Å; P295-N298 PolarHBondContact O-N 3.28Å; L296-N298 PolarHBondContact O-N 2.88Å; N298-N300 PolarHBondContact O-N 2.87Å; N298-N300 VanDerWaalsContact O-N 3.14Å |
| 299 | I | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -81 | 89.7 | 172.2 | -50.9 | 173.8 | 0 | 0 | 0 | 107.4 | G196 L197 L220 T221 A227 F277 F293 L296 Q297 | G196-I299 CarbonylContact C-O 3.55Å; G196-I299 WeakPolarHBondContact CA-O 3.42Å; L197-I299 HydrophobicContact CB-CB 4.36Å; L197-I299 HydrophobicContact CD1-CB 3.9Å; L197-I299 HydrophobicContact CD1-CD1 4.1Å; L197-I299 HydrophobicContact CD1-CG2 3.56Å; L197-I299 HydrophobicContact CG-CB 4.05Å; L197-I299 HydrophobicContact CG-CG2 4.09Å; L197-I299 PolarHBondContact N-O 3.29Å; L220-I299 HydrophobicContact CB-CG2 3.63Å; T221-I299 CarbonylContact O-C 3.54Å; T221-I299 WeakPolarHBondContact O-CA 3.39Å; A227-I299 HydrophobicContact CB-CD1 3.54Å; A227-I299 HydrophobicContact CB-CG1 3.78Å; A227-I299 HydrophobicContact CB-CG2 4.24Å; F277-I299 HydrophobicContact CZ-CD1 3.87Å; F293-I299 HydrophobicContact CD1-CD1 3.93Å; F293-I299 HydrophobicContact CD1-CG1 3.61Å; F293-I299 HydrophobicContact CE1-CG1 3.77Å; L296-I299 HydrophobicContact CD2-CD1 3.84Å; L296-I299 VanDerWaalsContact O-CB 3.3Å; L296-I299 WeakPolarHBondContact O-CB 3.45Å; L296-I299 PolarHBondContact O-N 3.26Å; Q297-I299 VanDerWaalsContact C-N 3.31Å | ||
| 300 | N | 91.8 | Very high | 95.6 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | trans | -122.9 | 2.7 | -167.8 | 65.1 | 10.3 | 0 | 0 | 0 | 114 | F192 I193 T221 N298 | F192-N300 CarbonylContact C-O 3.07Å; F192-N300 WeakPolarHBondContact CA-O 3.2Å; F192-N300 HydrophobicContact CD2-CB 4.42Å; F192-N300 WeakPolarHBondContact CD2-O 3.46Å; F192-N300 HydrophobicContact CE1-CB 4.33Å; F192-N300 HydrophobicContact CE2-CB 3.7Å; F192-N300 VanDerWaalsContact CE2-CG 3.5Å; F192-N300 HydrophobicContact CZ-CB 3.65Å; I193-N300 PolarHBondContact N-O 2.82Å; T221-N300 PolarHBondContact O-N 2.94Å; N298-N300 PolarHBondContact O-N 2.87Å; N298-N300 VanDerWaalsContact O-N 3.14Å | ||
| 301 | G | 88.8 | Confident | 94.7 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L220 T221 | L220-G301 WeakPolarHBondContact CA-O 3.33Å; T221-G301 PolarHBondContact N-O 3.39Å; T221-G301 PolarHBondContact O-N 3.2Å; T221-G301 VanDerWaalsContact O-N 3.17Å; T221-G301 VanDerWaalsContact OG1-CA 3.28Å; T221-G301 WeakPolarHBondContact OG1-CA 3.32Å |
| 302 | L | 98.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.4 | 168.1 | 173.5 | 62 | 0 | 0 | 0 | 108.2 | Y189 K190 N191 I193 I203 I205 M218 N219 L220 I304 V313 V315 | Y189-L302 HydrophobicContact CE1-CD2 4.17Å; K190-L302 CarbonylContact C-O 3.56Å; K190-L302 WeakPolarHBondContact CA-O 3.41Å; N191-L302 PolarHBondContact N-O 2.77Å; N191-L302 PolarHBondContact O-N 3.32Å; I193-L302 HydrophobicContact CD1-CB 4.33Å; I193-L302 HydrophobicContact CG1-CB 4.23Å; I203-L302 HydrophobicContact CG2-CD2 3.92Å; I205-L302 HydrophobicContact CD1-CD1 4.35Å; M218-L302 HydrophobicContact CG-CD1 3.58Å; M218-L302 HydrophobicContact SD-CD1 3.84Å; N219-L302 WeakPolarHBondContact O-CA 3.33Å; L220-L302 HydrophobicContact CD2-CD1 3.97Å; L302-I304 HydrophobicContact CD1-CD1 4.41Å; L302-I304 HydrophobicContact CD1-CG1 4.14Å; L302-I304 HydrophobicContact CD2-CD1 4.36Å; L302-I304 HydrophobicContact CG-CD1 4.38Å; L302-I304 HydrophobicContact CG-CG1 4.33Å; L302-V313 HydrophobicContact CD2-CG1 3.54Å; L302-V315 HydrophobicContact CD2-CG2 3.76Å |
| 303 | E | 97.9 | Very high | 93.2 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.5 | 173.7 | -47.8 | -177.2 | 135.5 | 0 | 0 | 110.1 | Y189 K190 M218 N219 T221 | Y189-E303 CarbonylContact O-C 3.58Å; Y189-E303 VanDerWaalsContact O-CA 3.32Å; Y189-E303 WeakPolarHBondContact O-CA 3.31Å; K190-E303 HydrophobicContact CD-CG 4.26Å; K190-E303 WeakPolarHBondContact CE-OE1 3.18Å; K190-E303 HydrophobicContact CG-CB 4.39Å; K190-E303 HydrophobicContact CG-CG 4.16Å; K190-E303 IonicContact NZ-OE1 3.19Å; K190-E303 PolarHBondContact NZ-OE1 3.32Å; M218-E303 CarbonylContact C-O 3.52Å; M218-E303 VanDerWaalsContact CA-O 3.3Å; M218-E303 WeakPolarHBondContact CA-O 3.24Å; N219-E303 HydrophobicContact CB-CB 4.12Å; N219-E303 PolarHBondContact N-O 3.4Å; N219-E303 PolarHBondContact ND2-OE2 3.34Å; N219-E303 PolarHBondContact O-N 3.41Å; T221-E303 HydrophobicContact CG2-CG 4.03Å |
| 304 | I | 98.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 123.3 | 178.7 | -52.3 | 166.3 | 0 | 0 | 0 | 108.9 | P188 Y189 I205 H217 M218 L302 I308 L310 V313 | P188-I304 WeakPolarHBondContact CA-O 3.43Å; Y189-I304 HydrophobicContact CD1-CD1 3.92Å; Y189-I304 HydrophobicContact CD1-CG1 4.34Å; Y189-I304 PolarHBondContact N-O 2.83Å; Y189-I304 PolarHBondContact O-N 3.25Å; I205-I304 HydrophobicContact CD1-CD1 3.67Å; I205-I304 HydrophobicContact CD1-CG1 4.27Å; I205-I304 HydrophobicContact CG1-CD1 3.9Å; I205-I304 HydrophobicContact CG2-CD1 3.89Å; H217-I304 WeakPolarHBondContact O-CA 3.2Å; M218-I304 HydrophobicContact CB-CG1 4.38Å; M218-I304 HydrophobicContact CG-CG1 4.11Å; L302-I304 HydrophobicContact CD1-CD1 4.41Å; L302-I304 HydrophobicContact CD1-CG1 4.14Å; L302-I304 HydrophobicContact CD2-CD1 4.36Å; L302-I304 HydrophobicContact CG-CD1 4.38Å; L302-I304 HydrophobicContact CG-CG1 4.33Å; I304-I308 HydrophobicContact CG2-CD1 3.61Å; I304-L310 HydrophobicContact CB-CD1 4.35Å; I304-L310 HydrophobicContact CD1-CD1 4.06Å; I304-L310 HydrophobicContact CD1-CD2 4.27Å; I304-L310 HydrophobicContact CG2-CD1 4.31Å; I304-L310 HydrophobicContact CG2-CD2 4.32Å; I304-V313 HydrophobicContact CD1-CG1 4.49Å; I304-V313 HydrophobicContact CD1-CG2 4.01Å |
| 305 | E | 97.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 163.4 | 179.6 | -44.9 | -170.4 | 168.3 | 0 | 0 | 112.4 | P188 F216 H217 | P188-E305 HydrophobicContact CB-CB 4.37Å; P188-E305 HydrophobicContact CB-CG 3.63Å; F216-E305 CarbonylContact C-O 3.55Å; F216-E305 WeakPolarHBondContact CA-O 3.37Å; F216-E305 WeakPolarHBondContact CB-O 3.37Å; H217-E305 IonicContact CE1-OE2 3.75Å; H217-E305 PolarHBondContact N-O 3.08Å; H217-E305 PolarHBondContact O-N 2.66Å; H217-E305 VanDerWaalsContact O-N 3.07Å |
| 306 | G | 97.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.2 | -157.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I308 | G306-I308 PolarHBondContact O-N 2.91Å |
| 307 | D | 97.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -83.1 | 56.9 | -159.9 | -53.4 | -31.4 | 0 | 0 | 0 | 113.4 | Q210 A213 T214 R215 | Q210-D307 HydrophobicContact CB-CB 4.4Å; Q210-D307 WeakPolarHBondContact CB-O 3.21Å; Q210-D307 WeakPolarHBondContact CG-O 3.13Å; Q210-D307 PolarHBondContact N-O 2.66Å; A213-D307 HydrophobicContact CB-CB 3.55Å; T214-D307 WeakPolarHBondContact CA-OD2 3.29Å; T214-D307 WeakPolarHBondContact CB-OD2 3.25Å; T214-D307 PolarHBondContact N-OD2 3.48Å; T214-D307 PolarHBondContact OG1-OD2 3.23Å; R215-D307 PolarHBondContact N-OD2 2.84Å; R215-D307 VanDerWaalsContact N-OD2 3.12Å; R215-D307 WeakPolarHBondContact O-CB 3.48Å; R215-D307 PolarHBondContact O-N 2.84Å |
| 308 | I | 96.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 165.2 | 176.7 | 63.2 | 172.2 | 0 | 0 | 0 | 110.8 | V187 V208 V209 Q210 F216 F266 I304 G306 L310 | V187-I308 HydrophobicContact CG2-CG1 4.13Å; V208-I308 CarbonylContact O-C 3.53Å; V208-I308 VanDerWaalsContact O-CA 3.25Å; V208-I308 WeakPolarHBondContact O-CA 3.23Å; V208-I308 WeakPolarHBondContact O-CB 3.2Å; V209-I308 HydrophobicContact CG2-CG2 4.45Å; Q210-I308 PolarHBondContact NE2-O 3.36Å; F216-I308 HydrophobicContact CB-CG1 4.37Å; F216-I308 HydrophobicContact CB-CG2 3.71Å; F216-I308 HydrophobicContact CD1-CG2 3.46Å; F216-I308 VanDerWaalsContact CD1-CG2 3.46Å; F216-I308 HydrophobicContact CD2-CD1 3.94Å; F216-I308 HydrophobicContact CD2-CG2 4.04Å; F216-I308 HydrophobicContact CE1-CG2 4.02Å; F216-I308 HydrophobicContact CE2-CD1 4.42Å; F216-I308 HydrophobicContact CG-CD1 4.32Å; F216-I308 HydrophobicContact CG-CG2 3.47Å; F216-I308 VanDerWaalsContact CG-CG2 3.47Å; F266-I308 HydrophobicContact CE1-CB 4.33Å; F266-I308 HydrophobicContact CE1-CD1 4.45Å; F266-I308 HydrophobicContact CE1-CG2 4.01Å; F266-I308 HydrophobicContact CZ-CD1 4.02Å; F266-I308 HydrophobicContact CZ-CG2 4.48Å; I304-I308 HydrophobicContact CG2-CD1 3.61Å; G306-I308 PolarHBondContact O-N 2.91Å; I308-L310 HydrophobicContact CD1-CD2 3.83Å; I308-L310 HydrophobicContact CD1-CG 4.32Å |
| 309 | Q | 90.8 | Very high | 91 | Very high | 128 Ų | 128 | 35.2 Ų | 35.2 | 60% | 0.598 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.4 | 162.4 | -66.4 | 176.7 | -1 | 0 | 0 | 107.6 | G207 V208 | G207-Q309 CarbonylContact C-O 3.51Å; G207-Q309 WeakPolarHBondContact CA-O 3.3Å; V208-Q309 PolarHBondContact N-O 3.49Å; V208-Q309 PolarHBondContact O-N 3.37Å |
| 310 | L | 88.9 | Confident | 90.5 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.5 | 177.7 | -69.1 | 172.7 | 0 | 0 | 0 | 110.3 | P185 V187 Y189 I205 I304 I308 V313 | P185-L310 HydrophobicContact CB-CB 3.86Å; P185-L310 HydrophobicContact CB-CD1 4.13Å; P185-L310 HydrophobicContact CG-CB 4.36Å; P185-L310 WeakPolarHBondContact O-CB 3.31Å; V187-L310 HydrophobicContact CG2-CB 4.39Å; V187-L310 HydrophobicContact CG2-CD1 3.78Å; V187-L310 HydrophobicContact CG2-CG 3.67Å; Y189-L310 VanDerWaalsContact CB-CD1 3.48Å; Y189-L310 HydrophobicContact CD2-CD1 4.25Å; Y189-L310 HydrophobicContact CG-CD1 3.85Å; I205-L310 HydrophobicContact CG2-CD2 3.56Å; I304-L310 HydrophobicContact CB-CD1 4.35Å; I304-L310 HydrophobicContact CD1-CD1 4.06Å; I304-L310 HydrophobicContact CD1-CD2 4.27Å; I304-L310 HydrophobicContact CG2-CD1 4.31Å; I304-L310 HydrophobicContact CG2-CD2 4.32Å; I308-L310 HydrophobicContact CD1-CD2 3.83Å; I308-L310 HydrophobicContact CD1-CG 4.32Å; L310-V313 HydrophobicContact CD1-CG2 3.98Å; L310-V313 HydrophobicContact CD2-CG2 4.27Å |
| 311 | T | 79.6 | Confident | 90.5 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 28% | 0.282 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -33.9 | 173 | 53.1 | 0 | 0 | 0 | 0 | 111.2 | Q206 G207 | Q206-T311 VanDerWaalsContact CB-OG1 3.31Å; Q206-T311 WeakPolarHBondContact CB-OG1 3.49Å; Q206-T311 PolarHBondContact O-N 2.87Å; Q206-T311 PolarHBondContact O-OG1 2.87Å; G207-T311 PolarHBondContact N-OG1 2.87Å |
| 312 | S | 82.4 | Confident | 90.6 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 145.7 | 177.7 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | Q206 | Q206-S312 PolarHBondContact N-O 3.17Å; Q206-S312 PolarHBondContact O-N 3.39Å |
| 313 | V | 82 | Confident | 90 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 121 | 169.6 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | P185 Y189 T204 I205 L302 I304 L310 V315 | P185-V313 HydrophobicContact CB-CG2 4.36Å; P185-V313 HydrophobicContact CG-CG2 4.32Å; Y189-V313 HydrophobicContact CD1-CG2 4.28Å; Y189-V313 HydrophobicContact CE1-CB 4.01Å; Y189-V313 HydrophobicContact CE1-CG1 3.66Å; Y189-V313 HydrophobicContact CE1-CG2 4.01Å; Y189-V313 HydrophobicContact CE2-CB 4.49Å; Y189-V313 HydrophobicContact CE2-CG2 4.36Å; T204-V313 WeakPolarHBondContact O-CA 3.47Å; I205-V313 HydrophobicContact CG1-CG1 4.37Å; L302-V313 HydrophobicContact CD2-CG1 3.54Å; I304-V313 HydrophobicContact CD1-CG1 4.49Å; I304-V313 HydrophobicContact CD1-CG2 4.01Å; L310-V313 HydrophobicContact CD1-CG2 3.98Å; L310-V313 HydrophobicContact CD2-CG2 4.27Å; V313-V315 HydrophobicContact CG1-CG2 4Å |
| 314 | I | 81.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 41.1 Ų | 41.1 | 33% | 0.333 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.2 | -179.2 | -56.4 | 171.6 | 0 | 0 | 0 | 107.7 | I30 I203 T204 | I30-I314 HydrophobicContact CD1-CD1 4.39Å; I203-I314 CarbonylContact C-O 3.56Å; I203-I314 WeakPolarHBondContact CA-O 3.44Å; T204-I314 PolarHBondContact N-O 2.87Å; T204-I314 PolarHBondContact O-N 3.33Å |
| 315 | V | 79.6 | Confident | 88.5 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | trans | -131.6 | 0 | -169.2 | -178 | 0 | 0 | 0 | 0 | 111.1 | I193 R201 I203 L302 V313 | I193-V315 HydrophobicContact CB-CG1 3.86Å; I193-V315 HydrophobicContact CG1-CG1 3.62Å; I193-V315 HydrophobicContact CG2-CG1 3.7Å; R201-V315 PolarHBondContact NE-OXT 2.95Å; R201-V315 PolarHBondContact NH2-OXT 3.09Å; I203-V315 HydrophobicContact CG1-CG1 4.42Å; I203-V315 HydrophobicContact CG2-CG2 4.34Å; L302-V315 HydrophobicContact CD2-CG2 3.76Å; V313-V315 HydrophobicContact CG1-CG2 4Å |
Retrieved 315 of 315 residues in 136.2 ms
(Link to these results)