| 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 | 32.3 | Very low | 64 | Low | 236 Ų | 236 | 122.2 Ų | 122.2 | 100% | 1.163 | 64% | 0.641 | S | S | * | * | 0 | 89.5 | 0 | -73.3 | -177.1 | 179.2 | 0 | 0 | 105.8 | T3 | M1-T3 PolarHBondContact O-N 3.17Š| |||
| 2 | D | 35.9 | Very low | 66.5 | Low | 168 Ų | 168 | 118.9 Ų | 118.9 | 90% | 0.898 | 62% | 0.62 | S | S | * | * | trans | -74.9 | 105.3 | 179.1 | -74.9 | -42.9 | 0 | 0 | 0 | 108.4 | D4 | D2-D4 VanDerWaalsContact C-N 3.33Å; D2-D4 PolarHBondContact O-N 3.44Å | ||
| 3 | T | 37.6 | Very low | 68.6 | Low | 125 Ų | 125 | 110.4 Ų | 110.4 | 77% | 0.767 | 58% | 0.579 | S | S | * | * | trans | -66.6 | 97.4 | 166.1 | 46.2 | 0 | 0 | 0 | 0 | 107.3 | M1 N5 | M1-T3 PolarHBondContact O-N 3.17Å; T3-N5 PolarHBondContact O-N 3.2Å | ||
| 4 | D | 40.8 | Very low | 70.5 | Confident | 129 Ų | 129 | 102.9 Ų | 102.9 | 69% | 0.69 | 54% | 0.539 | S | S | * | . | trans | -60.6 | 86.4 | 169.1 | -173.4 | 30.7 | 0 | 0 | 0 | 108.3 | D2 K6 | D2-D4 VanDerWaalsContact C-N 3.33Å; D2-D4 PolarHBondContact O-N 3.44Å; D4-K6 PolarHBondContact O-N 3.22Å | ||
| 5 | N | 45.5 | Very low | 72.2 | Confident | 146 Ų | 146 | 96.1 Ų | 96.1 | 78% | 0.781 | 50% | 0.503 | S | S | * | . | trans | -75 | 79.6 | -177.4 | -136.3 | 6.4 | 0 | 0 | 0 | 107.1 | T3 I7 | T3-N5 PolarHBondContact O-N 3.2Å; N5-I7 PolarHBondContact O-N 2.95Å | ||
| 6 | K | 64.3 | Low | 73.6 | Confident | 171 Ų | 171 | 90.1 Ų | 90.1 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | trans | -56 | 110.3 | 176.8 | -77.8 | -178.4 | 179.2 | 174.8 | 0 | 108.6 | D4 | D4-K6 PolarHBondContact O-N 3.22Š| ||
| 7 | I | 76.8 | Confident | 74.6 | Confident | 87 Ų | 87 | 85.4 Ų | 85.4 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 126.6 | 177 | -58.8 | 175.3 | 0 | 0 | 0 | 107.7 | N5 V9 T33 | N5-I7 PolarHBondContact O-N 2.95Å; I7-V9 PolarHBondContact O-N 2.9Å; I7-T33 HydrophobicContact CG2-CG2 3.93Å |
| 8 | P | 89.4 | Confident | 75.5 | Confident | 79 Ų | 79 | 83.6 Ų | 83.6 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 135.4 | -177 | 25.3 | -33.4 | 0 | 0 | 0 | 110.5 | P34 | P8-P34 HydrophobicContact CG-CG 3.8Å; P8-P34 WeakPolarHBondContact O-CD 3.45Å |
| 9 | V | 92.7 | Very high | 75.3 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -88 | 121.1 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | I7 E12 V31 | I7-V9 PolarHBondContact O-N 2.9Å; V9-E12 HydrophobicContact CG1-CB 4.24Å; V9-E12 HydrophobicContact CG1-CG 4.32Å; V9-V31 HydrophobicContact CB-CG1 4.43Å; V9-V31 HydrophobicContact CG1-CG1 3.76Å; V9-V31 HydrophobicContact CG2-CG1 3.88Å |
| 10 | L | 93.9 | Very high | 74.9 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | trans | -85.8 | -40.6 | 178.7 | -59.5 | -179.9 | 0 | 0 | 0 | 111.4 | L32 P34 A106 | L10-L32 HydrophobicContact CB-CB 4.41Å; L10-L32 HydrophobicContact CB-CD2 4.07Å; L10-L32 HydrophobicContact CB-CG 4.05Å; L10-L32 HydrophobicContact CD1-CD2 4.42Å; L10-L32 HydrophobicContact CD1-CG 4.27Å; L10-L32 PolarHBondContact N-O 3.28Å; L10-P34 HydrophobicContact CD1-CG 4.37Å; L10-A106 HydrophobicContact CD1-CB 4.06Å | ||
| 11 | R | 94.7 | Very high | 74.1 | Confident | 52 Ų | 52 | 84.2 Ų | 84.2 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 148.3 | 176.7 | 178.7 | 176.6 | -72.5 | -111.7 | -10 | 109.9 | L32 E98 W99 D102 | R11-L32 HydrophobicContact CB-CB 4.14Å; R11-L32 HydrophobicContact CB-CD2 4.34Å; R11-L32 PolarHBondContact O-N 3.19Å; R11-E98 IonicContact CZ-OE2 3.45Å; R11-E98 IonicContact NH1-OE2 3.35Å; R11-E98 PolarHBondContact NH1-OE2 3.19Å; R11-E98 IonicContact NH2-OE2 2.66Å; R11-E98 PolarHBondContact NH2-OE2 2.99Å; R11-W99 HydrophobicContact CB-CH2 4.35Å; R11-W99 HydrophobicContact CB-CZ3 4.23Å; R11-W99 VanDerWaalsContact CD-CE3 3.44Å; R11-W99 HydrophobicContact CG-CD2 4.22Å; R11-W99 HydrophobicContact CG-CE3 4.14Å; R11-W99 HydrophobicContact CG-CH2 3.67Å; R11-W99 HydrophobicContact CG-CZ2 3.77Å; R11-W99 HydrophobicContact CG-CZ3 3.87Å; R11-D102 IonicContact CZ-OD2 2.69Å; R11-D102 IonicContact NE-OD2 3.11Å; R11-D102 PolarHBondContact NE-OD2 2.99Å; R11-D102 IonicContact NH2-OD2 2.97Å; R11-D102 PolarHBondContact NH2-OD2 3.37Å |
| 12 | E | 94.4 | Very high | 75.6 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.8 | 166.5 | 58.2 | 177 | -145.2 | 0 | 0 | 111.8 | V9 W29 F30 R47 | V9-E12 HydrophobicContact CG1-CB 4.24Å; V9-E12 HydrophobicContact CG1-CG 4.32Å; E12-W29 HydrophobicContact CB-CZ2 3.85Å; E12-W29 HydrophobicContact CG-CZ2 3.79Å; E12-F30 WeakPolarHBondContact CA-O 3.44Å; E12-F30 WeakPolarHBondContact CB-O 3.48Å; E12-R47 IonicContact OE1-NH2 3.18Å; E12-R47 PolarHBondContact OE1-NH2 3.22Å; E12-R47 IonicContact OE2-CZ 2.68Å; E12-R47 IonicContact OE2-NH1 2.87Å; E12-R47 PolarHBondContact OE2-NH1 3.14Å; E12-R47 IonicContact OE2-NH2 2.77Å; E12-R47 PolarHBondContact OE2-NH2 3.45Å |
| 13 | G | 93.6 | Very high | 77.6 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 8% | 0.082 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F30 | G13-F30 PolarHBondContact N-O 3.43Å; G13-F30 VanDerWaalsContact N-O 3.11Å; G13-F30 PolarHBondContact O-N 3.32Å |
| 14 | F | 95 | Very high | 79.7 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 2% | 0.022 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 133.1 | 175.1 | -77.4 | -69 | 0 | 0 | 0 | 111.3 | R28 W29 Y42 Y258 L260 V271 P342 | F14-R28 WeakPolarHBondContact CA-O 3.49Å; F14-W29 AromaticContact CD1-CE3 3.93Å; F14-W29 HydrophobicContact CD1-CE3 3.93Å; F14-W29 AromaticContact CD2-CE3 3.69Å; F14-W29 HydrophobicContact CD2-CE3 3.69Å; F14-W29 AromaticContact CD2-CZ3 3.61Å; F14-W29 HydrophobicContact CD2-CZ3 3.61Å; F14-W29 HydrophobicContact CE1-CB 4.34Å; F14-W29 AromaticContact CE1-CE3 3.85Å; F14-W29 HydrophobicContact CE1-CE3 3.85Å; F14-W29 AromaticContact CE2-CE3 3.6Å; F14-W29 HydrophobicContact CE2-CE3 3.6Å; F14-W29 AromaticContact CE2-CZ3 3.62Å; F14-W29 HydrophobicContact CE2-CZ3 3.62Å; F14-W29 AromaticContact CG-CE3 3.84Å; F14-W29 HydrophobicContact CG-CE3 3.84Å; F14-W29 HydrophobicContact CG-CZ3 4.14Å; F14-W29 AromaticContact CZ-CE3 3.67Å; F14-W29 HydrophobicContact CZ-CE3 3.67Å; F14-W29 HydrophobicContact CZ-CZ3 4.16Å; F14-Y42 HydrophobicContact CE1-CD1 4.12Å; F14-Y42 HydrophobicContact CE1-CD2 4.02Å; F14-Y42 AromaticContact CE1-CG 3.7Å; F14-Y42 HydrophobicContact CE1-CG 3.7Å; F14-Y42 AromaticContact CZ-CD1 3.65Å; F14-Y42 HydrophobicContact CZ-CD1 3.65Å; F14-Y42 AromaticContact CZ-CD2 3.81Å; F14-Y42 HydrophobicContact CZ-CD2 3.81Å; F14-Y42 AromaticContact CZ-CE1 3.85Å; F14-Y42 HydrophobicContact CZ-CE1 3.85Å; F14-Y42 AromaticContact CZ-CE2 3.99Å; F14-Y42 HydrophobicContact CZ-CE2 3.99Å; F14-Y42 AromaticContact CZ-CG 3.6Å; F14-Y42 HydrophobicContact CZ-CG 3.6Å; F14-Y42 AromaticContact CZ-CZ 3.99Å; F14-Y258 HydrophobicContact CB-CD2 3.69Å; F14-Y258 HydrophobicContact CB-CG 4Å; F14-Y258 WeakPolarHBondContact O-CD2 3.42Å; F14-L260 HydrophobicContact CE2-CD1 4.1Å; F14-L260 HydrophobicContact CZ-CD1 3.95Å; F14-V271 HydrophobicContact CD1-CG1 4.41Å; F14-V271 HydrophobicContact CD1-CG2 4.13Å; F14-V271 HydrophobicContact CE1-CG2 3.69Å; F14-V271 HydrophobicContact CZ-CG2 4.06Å; F14-P342 HydrophobicContact CD2-CB 4.5Å; F14-P342 HydrophobicContact CD2-CG 3.89Å; F14-P342 HydrophobicContact CE2-CB 4.3Å; F14-P342 HydrophobicContact CE2-CG 3.94Å |
| 15 | L | 96.2 | Very high | 82 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159 | 163.1 | -62.8 | 170.1 | 0 | 0 | 0 | 109.4 | R28 F30 F76 L88 E89 A90 W99 | L15-R28 PolarHBondContact N-O 2.64Å; L15-R28 PolarHBondContact O-N 3.06Å; L15-R28 VanDerWaalsContact O-O 3.11Å; L15-F30 HydrophobicContact CB-CD2 3.56Å; L15-F30 HydrophobicContact CB-CE2 3.7Å; L15-F30 HydrophobicContact CB-CG 4.37Å; L15-F30 HydrophobicContact CD1-CB 4.27Å; L15-F30 HydrophobicContact CD1-CD1 4.49Å; L15-F30 HydrophobicContact CD1-CD2 4.04Å; L15-F30 HydrophobicContact CD1-CE2 4.49Å; L15-F30 HydrophobicContact CD1-CG 4.02Å; L15-F30 HydrophobicContact CG-CD2 4.11Å; L15-F30 HydrophobicContact CG-CG 4.48Å; L15-F76 HydrophobicContact CD1-CE1 4.27Å; L15-F76 HydrophobicContact CD1-CZ 3.92Å; L15-F76 HydrophobicContact CD2-CE1 4.31Å; L15-L88 HydrophobicContact CD1-CB 4.46Å; L15-L88 HydrophobicContact CD1-CD1 4.28Å; L15-E89 WeakPolarHBondContact CA-O 3.17Å; L15-E89 WeakPolarHBondContact CD2-O 3.4Å; L15-A90 HydrophobicContact CD2-CB 3.76Å; L15-W99 HydrophobicContact CD1-CD2 3.86Å; L15-W99 HydrophobicContact CD1-CE3 4.11Å; L15-W99 HydrophobicContact CD1-CG 4.29Å; L15-W99 HydrophobicContact CD1-CH2 4.48Å; L15-W99 HydrophobicContact CD1-CZ2 4.23Å; L15-W99 HydrophobicContact CD1-CZ3 4.42Å; L15-W99 HydrophobicContact CD2-CD2 4.4Å; L15-W99 HydrophobicContact CD2-CG 4.21Å; L15-W99 HydrophobicContact CG-CD2 4.38Å; L15-W99 HydrophobicContact CG-CZ2 4.26Å |
| 16 | V | 93.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.2 | 170.8 | -162.7 | 0 | 0 | 0 | 0 | 108.9 | W25 L88 E89 Y258 P288 | V16-W25 HydrophobicContact CB-CE3 4.3Å; V16-W25 HydrophobicContact CG1-CB 3.76Å; V16-W25 HydrophobicContact CG1-CE3 3.91Å; V16-L88 CarbonylContact O-C 3.54Å; V16-L88 VanDerWaalsContact O-CA 3.31Å; V16-L88 WeakPolarHBondContact O-CA 3.39Å; V16-E89 HydrophobicContact CB-CB 4.29Å; V16-E89 PolarHBondContact N-O 3.35Å; V16-E89 PolarHBondContact O-N 3.42Å; V16-Y258 HydrophobicContact CG2-CE1 4.01Å; V16-Y258 HydrophobicContact CG2-CE2 4.32Å; V16-Y258 VanDerWaalsContact CG2-OH 3.32Å; V16-Y258 WeakPolarHBondContact CG2-OH 3.37Å; V16-P288 WeakPolarHBondContact CG1-O 3.46Å; V16-P288 HydrophobicContact CG2-CB 3.82Å |
| 17 | K | 92.1 | Very high | 85.4 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | -179.2 | 177.4 | 179.4 | -162.4 | -56.2 | 0 | 111.7 | H20 W25 K26 F30 Y39 L88 | K17-H20 PolarHBondContact NZ-NE2 2.97Å; K17-W25 CarbonylContact O-C 3.53Å; K17-W25 WeakPolarHBondContact O-CA 3.42Å; K17-K26 PolarHBondContact N-O 2.95Å; K17-K26 PolarHBondContact O-N 3.41Å; K17-F30 HydrophobicContact CB-CE2 4.28Å; K17-F30 HydrophobicContact CB-CZ 3.95Å; K17-F30 HydrophobicContact CD-CZ 4.19Å; K17-F30 HydrophobicContact CG-CZ 4.47Å; K17-Y39 HydrophobicContact CD-CE1 4.37Å; K17-Y39 HydrophobicContact CD-CE2 4.45Å; K17-L88 HydrophobicContact CB-CD2 3.73Å; K17-L88 HydrophobicContact CD-CD2 4.37Å; K17-L88 HydrophobicContact CG-CD2 3.85Å |
| 18 | R | 90.2 | Very high | 86.2 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.9 | 165.5 | -167.4 | 175.1 | 173.5 | -107.5 | 7.8 | 111.3 | H23 W25 Y69 F87 | R18-H23 VanDerWaalsContact CZ-CG 3.44Å; R18-H23 PolarHBondContact NH1-CD2 3.3Å; R18-H23 PolarHBondContact NH1-NE2 2.88Å; R18-H23 PolarHBondContact NH2-CD2 3.32Å; R18-H23 PolarHBondContact NH2-NE2 2.63Å; R18-W25 HydrophobicContact CB-CD2 3.94Å; R18-W25 HydrophobicContact CB-CE3 4Å; R18-W25 HydrophobicContact CB-CH2 3.95Å; R18-W25 HydrophobicContact CB-CZ2 3.86Å; R18-W25 HydrophobicContact CB-CZ3 4.01Å; R18-W25 HydrophobicContact CG-CD2 4.45Å; R18-W25 HydrophobicContact CG-CZ2 4.22Å; R18-Y69 WeakPolarHBondContact CD-OH 3.02Å; R18-Y69 PolarHBondContact NE-OH 3.22Å; R18-Y69 VanDerWaalsContact NE-OH 3.16Å; R18-F87 HydrophobicContact CB-CB 3.99Å; R18-F87 HydrophobicContact CB-CD2 4.43Å; R18-F87 PolarHBondContact N-O 2.96Å; R18-F87 VanDerWaalsContact N-O 3.1Å |
| 19 | G | 72.4 | Confident | 86.4 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 19% | 0.186 | 26% | 0.256 | C | S | . | . | trans | -68 | 154.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V22 H23 N24 | G19-V22 CarbonylContact C-O 3.34Å; G19-V22 WeakPolarHBondContact CA-O 3.33Å; G19-H23 PolarHBondContact O-CD2 2.92Å; G19-N24 PolarHBondContact N-O 2.79Å | ||
| 20 | H | 65.8 | Low | 86.5 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 38% | 0.375 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -88.1 | -41.6 | -175.4 | -72.7 | -63.9 | 0 | 0 | 0 | 113.4 | K17 D85 H86 | K17-H20 PolarHBondContact NZ-NE2 2.97Å; H20-D85 PolarHBondContact CE1-O 3.48Å; H20-D85 PolarHBondContact ND1-O 3.11Å; H20-H86 AromaticContact CE1-CD2 3.68Å; H20-H86 AromaticContact CE1-CE1 3.66Å; H20-H86 AromaticContact CE1-CG 3.7Å; H20-H86 AromaticContact CE1-ND1 3.69Å; H20-H86 AromaticContact CE1-NE2 3.62Å; H20-H86 AromaticContact NE2-CD2 3.86Å; H20-H86 AromaticContact NE2-CE1 3.04Å; H20-H86 PolarHBondContact NE2-CE1 3.44Å; H20-H86 AromaticContact NE2-CG 3.76Å; H20-H86 AromaticContact NE2-ND1 3.26Å; H20-H86 PolarHBondContact NE2-ND1 2.99Å; H20-H86 AromaticContact NE2-NE2 3.4Å; H20-H86 PolarHBondContact NE2-NE2 2.94Å |
| 21 | I | 58.2 | Low | 86.5 | Confident | 165 Ų | 165 | 43.5 Ų | 43.5 | 85% | 0.846 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -91 | -53.7 | 179.7 | -58.9 | 171.4 | 0 | 0 | 0 | 109.3 | ||
| 22 | V | 65.4 | Low | 86.6 | Confident | 92 Ų | 92 | 41 Ų | 41 | 56% | 0.558 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -100 | 115.7 | 170.4 | -177.2 | 0 | 0 | 0 | 0 | 106.5 | G19 N24 | G19-V22 CarbonylContact C-O 3.34Å; G19-V22 WeakPolarHBondContact CA-O 3.33Å; V22-N24 HydrophobicContact CG1-CB 4.2Å; V22-N24 PolarHBondContact O-N 3.07Å; V22-N24 PolarHBondContact O-OD1 3.31Å |
| 23 | H | 77.8 | Confident | 86.6 | Confident | 107 Ų | 107 | 37.3 Ų | 37.3 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | trans | -72.6 | 30.9 | -175.6 | -63.8 | 127.6 | 0 | 0 | 0 | 114.4 | R18 G19 | R18-H23 VanDerWaalsContact CZ-CG 3.44Å; R18-H23 PolarHBondContact NH1-CD2 3.3Å; R18-H23 PolarHBondContact NH1-NE2 2.88Å; R18-H23 PolarHBondContact NH2-CD2 3.32Å; R18-H23 PolarHBondContact NH2-NE2 2.63Å; G19-H23 PolarHBondContact O-CD2 2.92Å | ||
| 24 | N | 80 | Confident | 86.6 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 35% | 0.353 | 20% | 0.202 | S | C | . | . | trans | -80 | 148.1 | 174.7 | 60.1 | 17.5 | 0 | 0 | 0 | 111.8 | G19 V22 K26 | G19-N24 PolarHBondContact N-O 2.79Å; V22-N24 HydrophobicContact CG1-CB 4.2Å; V22-N24 PolarHBondContact O-N 3.07Å; V22-N24 PolarHBondContact O-OD1 3.31Å; N24-K26 WeakPolarHBondContact OD1-CE 3.33Å | ||
| 25 | W | 89.2 | Confident | 86.4 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.1 | 175.2 | -68.2 | 91.6 | 0 | 0 | 0 | 110.6 | V16 K17 R18 Y69 R72 F87 E89 T289 | V16-W25 HydrophobicContact CB-CE3 4.3Å; V16-W25 HydrophobicContact CG1-CB 3.76Å; V16-W25 HydrophobicContact CG1-CE3 3.91Å; K17-W25 CarbonylContact O-C 3.53Å; K17-W25 WeakPolarHBondContact O-CA 3.42Å; R18-W25 HydrophobicContact CB-CD2 3.94Å; R18-W25 HydrophobicContact CB-CE3 4Å; R18-W25 HydrophobicContact CB-CH2 3.95Å; R18-W25 HydrophobicContact CB-CZ2 3.86Å; R18-W25 HydrophobicContact CB-CZ3 4.01Å; R18-W25 HydrophobicContact CG-CD2 4.45Å; R18-W25 HydrophobicContact CG-CZ2 4.22Å; W25-Y69 HydrophobicContact CH2-CD2 4.15Å; W25-Y69 AromaticContact CH2-CE2 3.97Å; W25-Y69 HydrophobicContact CH2-CE2 3.97Å; W25-Y69 AromaticContact CZ2-CD2 3.87Å; W25-Y69 HydrophobicContact CZ2-CD2 3.87Å; W25-Y69 AromaticContact CZ2-CE2 3.63Å; W25-Y69 HydrophobicContact CZ2-CE2 3.63Å; W25-R72 VanDerWaalsContact CD2-CZ 3.49Å; W25-R72 VanDerWaalsContact CE2-CD 3.41Å; W25-F87 HydrophobicContact CH2-CB 3.77Å; W25-F87 HydrophobicContact CZ2-CB 4.48Å; W25-F87 HydrophobicContact CZ3-CB 4.37Å; W25-E89 HydrophobicContact CZ3-CB 4.23Å; W25-T289 VanDerWaalsContact O-CB 3.23Å; W25-T289 WeakPolarHBondContact O-CB 3.5Å; W25-T289 WeakPolarHBondContact O-CG2 3.36Å |
| 26 | K | 89.9 | Confident | 86.2 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 39% | 0.391 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 126.8 | 177.5 | -65.6 | -171.9 | -179.6 | 177 | 0 | 110.2 | K17 N24 R28 | K17-K26 PolarHBondContact N-O 2.95Å; K17-K26 PolarHBondContact O-N 3.41Å; N24-K26 WeakPolarHBondContact OD1-CE 3.33Å; K26-R28 PolarHBondContact O-N 3.07Å |
| 27 | A | 92.3 | Very high | 86.2 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 129.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V271 | A27-V271 HydrophobicContact CB-CB 3.87Å; A27-V271 HydrophobicContact CB-CG1 3.91Å; A27-V271 HydrophobicContact CB-CG2 4.22Å |
| 28 | R | 93 | Very high | 86.2 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.4 | 179.3 | -62.8 | -64.8 | -178.3 | -159.8 | 6.9 | 109.3 | F14 L15 K26 F30 Y39 Y40 | F14-R28 WeakPolarHBondContact CA-O 3.49Å; L15-R28 PolarHBondContact N-O 2.64Å; L15-R28 PolarHBondContact O-N 3.06Å; L15-R28 VanDerWaalsContact O-O 3.11Å; K26-R28 PolarHBondContact O-N 3.07Å; R28-F30 HydrophobicContact CB-CD2 4.04Å; R28-F30 HydrophobicContact CB-CE2 3.62Å; R28-F30 HydrophobicContact CB-CZ 4.38Å; R28-F30 WeakPolarHBondContact O-CD2 3.43Å; R28-Y39 HydrophobicContact CG-CD2 4.15Å; R28-Y40 VanDerWaalsContact CD-O 3.27Å; R28-Y40 WeakPolarHBondContact CD-O 3.39Å |
| 29 | W | 93.2 | Very high | 86.3 | Confident | 11 Ų | 11 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.5 | 168.3 | -173.9 | -82.3 | 0 | 0 | 0 | 109 | E12 F14 Y39 Y40 Y42 R47 P342 | E12-W29 HydrophobicContact CB-CZ2 3.85Å; E12-W29 HydrophobicContact CG-CZ2 3.79Å; F14-W29 AromaticContact CD1-CE3 3.93Å; F14-W29 HydrophobicContact CD1-CE3 3.93Å; F14-W29 AromaticContact CD2-CE3 3.69Å; F14-W29 HydrophobicContact CD2-CE3 3.69Å; F14-W29 AromaticContact CD2-CZ3 3.61Å; F14-W29 HydrophobicContact CD2-CZ3 3.61Å; F14-W29 HydrophobicContact CE1-CB 4.34Å; F14-W29 AromaticContact CE1-CE3 3.85Å; F14-W29 HydrophobicContact CE1-CE3 3.85Å; F14-W29 AromaticContact CE2-CE3 3.6Å; F14-W29 HydrophobicContact CE2-CE3 3.6Å; F14-W29 AromaticContact CE2-CZ3 3.62Å; F14-W29 HydrophobicContact CE2-CZ3 3.62Å; F14-W29 AromaticContact CG-CE3 3.84Å; F14-W29 HydrophobicContact CG-CE3 3.84Å; F14-W29 HydrophobicContact CG-CZ3 4.14Å; F14-W29 AromaticContact CZ-CE3 3.67Å; F14-W29 HydrophobicContact CZ-CE3 3.67Å; F14-W29 HydrophobicContact CZ-CZ3 4.16Å; W29-Y39 CarbonylContact O-C 3.47Å; W29-Y39 VanDerWaalsContact O-CA 3.29Å; W29-Y39 WeakPolarHBondContact O-CA 3.4Å; W29-Y40 PolarHBondContact N-O 2.8Å; W29-Y40 PolarHBondContact O-N 3.41Å; W29-Y42 HydrophobicContact CB-CD2 3.72Å; W29-Y42 HydrophobicContact CB-CG 4.48Å; W29-Y42 HydrophobicContact CD2-CD2 4.18Å; W29-Y42 HydrophobicContact CD2-CE2 4.15Å; W29-Y42 HydrophobicContact CE3-CD2 4.21Å; W29-Y42 HydrophobicContact CE3-CE2 4.08Å; W29-Y42 HydrophobicContact CG-CD2 4.04Å; W29-Y42 HydrophobicContact CG-CE2 4.41Å; W29-R47 HydrophobicContact CB-CG 4.02Å; W29-R47 HydrophobicContact CD2-CG 4.38Å; W29-R47 HydrophobicContact CG-CG 3.65Å; W29-R47 VanDerWaalsContact NE1-CZ 3.34Å; W29-P342 HydrophobicContact CH2-CB 3.56Å; W29-P342 HydrophobicContact CZ3-CB 3.5Å; W29-P342 VanDerWaalsContact CZ3-CB 3.5Å; W29-P342 HydrophobicContact CZ3-CG 4.17Å |
| 30 | F | 95.2 | Very high | 87 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 147 | -179.2 | -80.9 | -95.7 | 0 | 0 | 0 | 111.1 | E12 G13 L15 K17 R28 L37 L38 Y39 L88 W99 | E12-F30 WeakPolarHBondContact CA-O 3.44Å; E12-F30 WeakPolarHBondContact CB-O 3.48Å; G13-F30 PolarHBondContact N-O 3.43Å; G13-F30 VanDerWaalsContact N-O 3.11Å; G13-F30 PolarHBondContact O-N 3.32Å; L15-F30 HydrophobicContact CB-CD2 3.56Å; L15-F30 HydrophobicContact CB-CE2 3.7Å; L15-F30 HydrophobicContact CB-CG 4.37Å; L15-F30 HydrophobicContact CD1-CB 4.27Å; L15-F30 HydrophobicContact CD1-CD1 4.49Å; L15-F30 HydrophobicContact CD1-CD2 4.04Å; L15-F30 HydrophobicContact CD1-CE2 4.49Å; L15-F30 HydrophobicContact CD1-CG 4.02Å; L15-F30 HydrophobicContact CG-CD2 4.11Å; L15-F30 HydrophobicContact CG-CG 4.48Å; K17-F30 HydrophobicContact CB-CE2 4.28Å; K17-F30 HydrophobicContact CB-CZ 3.95Å; K17-F30 HydrophobicContact CD-CZ 4.19Å; K17-F30 HydrophobicContact CG-CZ 4.47Å; R28-F30 HydrophobicContact CB-CD2 4.04Å; R28-F30 HydrophobicContact CB-CE2 3.62Å; R28-F30 HydrophobicContact CB-CZ 4.38Å; R28-F30 WeakPolarHBondContact O-CD2 3.43Å; F30-L37 HydrophobicContact CB-CD1 4.19Å; F30-L37 HydrophobicContact CD1-CD1 3.8Å; F30-L37 HydrophobicContact CD1-CD2 3.96Å; F30-L37 HydrophobicContact CD1-CG 3.71Å; F30-L37 HydrophobicContact CE1-CD2 4.22Å; F30-L37 HydrophobicContact CE1-CG 4.24Å; F30-L37 HydrophobicContact CG-CD1 4.49Å; F30-L38 CarbonylContact C-O 3.52Å; F30-L38 VanDerWaalsContact CA-O 3.31Å; F30-L38 WeakPolarHBondContact CA-O 3.41Å; F30-Y39 HydrophobicContact CE1-CD1 4.05Å; F30-Y39 HydrophobicContact CE1-CG 4.06Å; F30-Y39 HydrophobicContact CZ-CD1 4.45Å; F30-Y39 HydrophobicContact CZ-CG 4.17Å; F30-L88 HydrophobicContact CE1-CD1 4.32Å; F30-L88 HydrophobicContact CE1-CD2 3.82Å; F30-L88 HydrophobicContact CE2-CD2 4.07Å; F30-L88 HydrophobicContact CZ-CD2 3.35Å; F30-W99 HydrophobicContact CB-CH2 3.7Å; F30-W99 HydrophobicContact CB-CZ2 4.31Å; F30-W99 HydrophobicContact CB-CZ3 4.24Å |
| 31 | V | 95 | Very high | 87.9 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 112.4 | 178 | -167.8 | 0 | 0 | 0 | 0 | 107.6 | V9 T33 L38 Y40 | V9-V31 HydrophobicContact CB-CG1 4.43Å; V9-V31 HydrophobicContact CG1-CG1 3.76Å; V9-V31 HydrophobicContact CG2-CG1 3.88Å; V31-T33 HydrophobicContact CG1-CG2 4.45Å; V31-L38 HydrophobicContact CB-CB 4.28Å; V31-L38 PolarHBondContact N-O 3.07Å; V31-L38 PolarHBondContact O-N 3.13Å; V31-Y40 HydrophobicContact CB-CE2 4.26Å; V31-Y40 HydrophobicContact CG2-CD2 3.91Å; V31-Y40 HydrophobicContact CG2-CE2 3.53Å |
| 32 | L | 96.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.2 | 174.5 | -178.5 | 63.5 | 0 | 0 | 0 | 108.9 | L10 R11 L37 L57 W99 D102 I103 | L10-L32 HydrophobicContact CB-CB 4.41Å; L10-L32 HydrophobicContact CB-CD2 4.07Å; L10-L32 HydrophobicContact CB-CG 4.05Å; L10-L32 HydrophobicContact CD1-CD2 4.42Å; L10-L32 HydrophobicContact CD1-CG 4.27Å; L10-L32 PolarHBondContact N-O 3.28Å; R11-L32 HydrophobicContact CB-CB 4.14Å; R11-L32 HydrophobicContact CB-CD2 4.34Å; R11-L32 PolarHBondContact O-N 3.19Å; L32-L37 HydrophobicContact CB-CD1 4.11Å; L32-L37 HydrophobicContact CD1-CB 4.46Å; L32-L37 HydrophobicContact CD1-CD1 4.24Å; L32-L57 HydrophobicContact CD1-CD1 3.67Å; L32-W99 HydrophobicContact CB-CZ3 4.15Å; L32-D102 HydrophobicContact CD2-CB 3.73Å; L32-I103 HydrophobicContact CD1-CG1 3.98Å; L32-I103 HydrophobicContact CD2-CG1 4.07Å |
| 33 | T | 94.8 | Very high | 88.8 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | trans | -113.4 | 170.6 | 167.1 | 69.5 | 0 | 0 | 0 | 0 | 108.9 | I7 V31 D35 K36 L38 | I7-T33 HydrophobicContact CG2-CG2 3.93Å; V31-T33 HydrophobicContact CG1-CG2 4.45Å; T33-D35 PolarHBondContact O-N 2.91Å; T33-D35 VanDerWaalsContact O-N 3.1Å; T33-D35 PolarHBondContact OG1-OD1 3.11Å; T33-K36 PolarHBondContact N-O 2.91Å; T33-K36 WeakPolarHBondContact OG1-CG 3.37Å; T33-K36 PolarHBondContact OG1-O 3.45Å; T33-L38 HydrophobicContact CG2-CD1 4.45Å | ||
| 34 | P | 93.1 | Very high | 88.1 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 31% | 0.312 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -56.8 | -29.8 | -175.8 | -28.7 | 36 | 0 | 0 | 0 | 115.1 | P8 L10 L110 | P8-P34 HydrophobicContact CG-CG 3.8Å; P8-P34 WeakPolarHBondContact O-CD 3.45Å; L10-P34 HydrophobicContact CD1-CG 4.37Å; P34-L110 WeakPolarHBondContact O-CD1 3.49Å |
| 35 | D | 90.3 | Very high | 87.1 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -109 | -18.4 | -171.7 | 62.6 | -39.2 | 0 | 0 | 0 | 114.5 | T33 L57 | T33-D35 PolarHBondContact O-N 2.91Å; T33-D35 VanDerWaalsContact O-N 3.1Å; T33-D35 PolarHBondContact OG1-OD1 3.11Å; D35-L57 PolarHBondContact O-N 2.66Å |
| 36 | K | 92.2 | Very high | 86 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 155.6 | -168.5 | 61.3 | -158.8 | 168.3 | -134.5 | 0 | 112.3 | T33 L38 I55 L56 | T33-K36 PolarHBondContact N-O 2.91Å; T33-K36 WeakPolarHBondContact OG1-CG 3.37Å; T33-K36 PolarHBondContact OG1-O 3.45Å; K36-L38 HydrophobicContact CB-CD2 4.43Å; K36-L38 HydrophobicContact CD-CD2 3.72Å; K36-L38 HydrophobicContact CD-CG 4.4Å; K36-L38 HydrophobicContact CG-CD2 3.76Å; K36-L38 HydrophobicContact CG-CG 4.09Å; K36-I55 CarbonylContact C-O 3.58Å; K36-I55 VanDerWaalsContact CA-O 3.27Å; K36-I55 WeakPolarHBondContact CA-O 3.37Å; K36-I55 WeakPolarHBondContact CB-O 3.46Å; K36-L56 HydrophobicContact CB-CD2 4.4Å |
| 37 | L | 94.1 | Very high | 85 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 111 | 169 | -179.3 | 60.6 | 0 | 0 | 0 | 108.7 | F30 L32 K54 I55 L57 L78 L88 W99 I103 | F30-L37 HydrophobicContact CB-CD1 4.19Å; F30-L37 HydrophobicContact CD1-CD1 3.8Å; F30-L37 HydrophobicContact CD1-CD2 3.96Å; F30-L37 HydrophobicContact CD1-CG 3.71Å; F30-L37 HydrophobicContact CE1-CD2 4.22Å; F30-L37 HydrophobicContact CE1-CG 4.24Å; F30-L37 HydrophobicContact CG-CD1 4.49Å; L32-L37 HydrophobicContact CB-CD1 4.11Å; L32-L37 HydrophobicContact CD1-CB 4.46Å; L32-L37 HydrophobicContact CD1-CD1 4.24Å; L37-K54 CarbonylContact O-C 3.53Å; L37-K54 WeakPolarHBondContact O-CA 3.47Å; L37-I55 HydrophobicContact CB-CB 4.25Å; L37-I55 HydrophobicContact CD2-CD1 4.24Å; L37-I55 PolarHBondContact N-O 3.14Å; L37-I55 PolarHBondContact O-N 2.94Å; L37-L57 HydrophobicContact CB-CD2 4.3Å; L37-L78 HydrophobicContact CD2-CD1 3.77Å; L37-L88 HydrophobicContact CD2-CD1 3.9Å; L37-W99 HydrophobicContact CD1-CZ3 4Å; L37-I103 HydrophobicContact CD2-CD1 4.19Å |
| 38 | L | 92.3 | Very high | 83.7 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 148.3 | -179 | -52.4 | 177.3 | 0 | 0 | 0 | 109.8 | F30 V31 T33 K36 Y40 K54 | F30-L38 CarbonylContact C-O 3.52Å; F30-L38 VanDerWaalsContact CA-O 3.31Å; F30-L38 WeakPolarHBondContact CA-O 3.41Å; V31-L38 HydrophobicContact CB-CB 4.28Å; V31-L38 PolarHBondContact N-O 3.07Å; V31-L38 PolarHBondContact O-N 3.13Å; T33-L38 HydrophobicContact CG2-CD1 4.45Å; K36-L38 HydrophobicContact CB-CD2 4.43Å; K36-L38 HydrophobicContact CD-CD2 3.72Å; K36-L38 HydrophobicContact CD-CG 4.4Å; K36-L38 HydrophobicContact CG-CD2 3.76Å; K36-L38 HydrophobicContact CG-CG 4.09Å; L38-Y40 HydrophobicContact CB-CE2 3.7Å; L38-Y40 WeakPolarHBondContact CD1-OH 3.21Å; L38-K54 HydrophobicContact CD2-CB 3.79Å |
| 39 | Y | 91.3 | Very high | 82.3 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.4 | 172.4 | 65.6 | -89.7 | 0 | 0 | 0 | 113.6 | K17 R28 W29 F30 R52 G53 | K17-Y39 HydrophobicContact CD-CE1 4.37Å; K17-Y39 HydrophobicContact CD-CE2 4.45Å; R28-Y39 HydrophobicContact CG-CD2 4.15Å; W29-Y39 CarbonylContact O-C 3.47Å; W29-Y39 VanDerWaalsContact O-CA 3.29Å; W29-Y39 WeakPolarHBondContact O-CA 3.4Å; F30-Y39 HydrophobicContact CE1-CD1 4.05Å; F30-Y39 HydrophobicContact CE1-CG 4.06Å; F30-Y39 HydrophobicContact CZ-CD1 4.45Å; F30-Y39 HydrophobicContact CZ-CG 4.17Å; Y39-R52 HydrophobicContact CD2-CB 3.93Å; Y39-R52 HydrophobicContact CD2-CG 4.46Å; Y39-R52 HydrophobicContact CE2-CB 3.82Å; Y39-R52 HydrophobicContact CE2-CG 3.97Å; Y39-R52 PolarHBondContact O-N 3.3Å; Y39-G53 WeakPolarHBondContact CD1-O 3.33Å; Y39-G53 VanDerWaalsContact CZ-CA 3.44Å; Y39-G53 PolarHBondContact N-O 3.43Å; Y39-G53 VanDerWaalsContact N-O 3.08Å; Y39-G53 PolarHBondContact O-N 3.44Å |
| 40 | Y | 88.1 | Confident | 81 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.9 | -170.6 | -58.4 | -97.1 | 0 | 0 | 0 | 110.5 | R28 W29 V31 L38 D48 Q51 | R28-Y40 VanDerWaalsContact CD-O 3.27Å; R28-Y40 WeakPolarHBondContact CD-O 3.39Å; W29-Y40 PolarHBondContact N-O 2.8Å; W29-Y40 PolarHBondContact O-N 3.41Å; V31-Y40 HydrophobicContact CB-CE2 4.26Å; V31-Y40 HydrophobicContact CG2-CD2 3.91Å; V31-Y40 HydrophobicContact CG2-CE2 3.53Å; L38-Y40 HydrophobicContact CB-CE2 3.7Å; L38-Y40 WeakPolarHBondContact CD1-OH 3.21Å; Y40-D48 WeakPolarHBondContact CD1-O 3.22Å; Y40-Q51 HydrophobicContact CD1-CB 4.29Å; Y40-Q51 HydrophobicContact CE1-CB 3.73Å; Y40-Q51 HydrophobicContact CE1-CG 4.25Å |
| 41 | K | 83.9 | Confident | 80 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 144.8 | 159.5 | -170.2 | 179 | -162.1 | -151.8 | 0 | 107.6 | E43 D48 | K41-E43 HydrophobicContact CD-CG 4.22Å; K41-E43 WeakPolarHBondContact CE-OE1 3.27Å; K41-E43 VanDerWaalsContact CE-OE2 3.27Å; K41-E43 WeakPolarHBondContact CE-OE2 2.89Å; K41-E43 HydrophobicContact CG-CG 4.08Å; K41-E43 IonicContact NZ-OE1 2.8Å; K41-E43 PolarHBondContact NZ-OE1 3.07Å; K41-E43 IonicContact NZ-OE2 2.66Å; K41-E43 PolarHBondContact NZ-OE2 3.43Å; K41-D48 HydrophobicContact CB-CB 4Å; K41-D48 VanDerWaalsContact O-CB 3.24Å; K41-D48 WeakPolarHBondContact O-CB 3.41Å; K41-D48 PolarHBondContact O-N 3.03Å |
| 42 | Y | 75.3 | Confident | 79.3 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 107.3 | 178 | -160.1 | -77.5 | 0 | 0 | 0 | 107.1 | F14 W29 G45 R47 L260 | F14-Y42 HydrophobicContact CE1-CD1 4.12Å; F14-Y42 HydrophobicContact CE1-CD2 4.02Å; F14-Y42 AromaticContact CE1-CG 3.7Å; F14-Y42 HydrophobicContact CE1-CG 3.7Å; F14-Y42 AromaticContact CZ-CD1 3.65Å; F14-Y42 HydrophobicContact CZ-CD1 3.65Å; F14-Y42 AromaticContact CZ-CD2 3.81Å; F14-Y42 HydrophobicContact CZ-CD2 3.81Å; F14-Y42 AromaticContact CZ-CE1 3.85Å; F14-Y42 HydrophobicContact CZ-CE1 3.85Å; F14-Y42 AromaticContact CZ-CE2 3.99Å; F14-Y42 HydrophobicContact CZ-CE2 3.99Å; F14-Y42 AromaticContact CZ-CG 3.6Å; F14-Y42 HydrophobicContact CZ-CG 3.6Å; F14-Y42 AromaticContact CZ-CZ 3.99Å; W29-Y42 HydrophobicContact CB-CD2 3.72Å; W29-Y42 HydrophobicContact CB-CG 4.48Å; W29-Y42 HydrophobicContact CD2-CD2 4.18Å; W29-Y42 HydrophobicContact CD2-CE2 4.15Å; W29-Y42 HydrophobicContact CE3-CD2 4.21Å; W29-Y42 HydrophobicContact CE3-CE2 4.08Å; W29-Y42 HydrophobicContact CG-CD2 4.04Å; W29-Y42 HydrophobicContact CG-CE2 4.41Å; Y42-G45 PolarHBondContact OH-O 3.1Å; Y42-R47 HydrophobicContact CD2-CB 4.43Å; Y42-R47 HydrophobicContact CD2-CG 3.86Å; Y42-R47 HydrophobicContact CE2-CG 4.04Å; Y42-L260 HydrophobicContact CD1-CD1 4.01Å; Y42-L260 HydrophobicContact CD1-CD2 3.8Å; Y42-L260 HydrophobicContact CD1-CG 4.41Å; Y42-L260 HydrophobicContact CE1-CD1 3.43Å; Y42-L260 VanDerWaalsContact CE1-CD1 3.43Å; Y42-L260 HydrophobicContact CE1-CD2 3.85Å; Y42-L260 HydrophobicContact CE1-CG 4.23Å |
| 43 | E | 68.4 | Low | 78.7 | Confident | 113 Ų | 113 | 59 Ų | 59 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.2 | -176.1 | -82.8 | -172.6 | 162.5 | 0 | 0 | 109.5 | K41 G45 K46 | K41-E43 HydrophobicContact CD-CG 4.22Å; K41-E43 WeakPolarHBondContact CE-OE1 3.27Å; K41-E43 VanDerWaalsContact CE-OE2 3.27Å; K41-E43 WeakPolarHBondContact CE-OE2 2.89Å; K41-E43 HydrophobicContact CG-CG 4.08Å; K41-E43 IonicContact NZ-OE1 2.8Å; K41-E43 PolarHBondContact NZ-OE1 3.07Å; K41-E43 IonicContact NZ-OE2 2.66Å; K41-E43 PolarHBondContact NZ-OE2 3.43Å; E43-G45 VanDerWaalsContact C-N 3.32Å; E43-G45 PolarHBondContact O-N 2.85Å; E43-K46 PolarHBondContact N-O 2.87Å |
| 44 | G | 61.7 | Low | 78.4 | Confident | 32 Ų | 32 | 65 Ų | 65 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 33.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K46 I322 | G44-K46 PolarHBondContact O-N 3.47Å; G44-I322 VanDerWaalsContact C-CD1 3.45Å; G44-I322 WeakPolarHBondContact O-CG1 3.41Å |
| 45 | G | 59.6 | Low | 78.3 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 12.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y42 E43 | Y42-G45 PolarHBondContact OH-O 3.1Å; E43-G45 VanDerWaalsContact C-N 3.32Å; E43-G45 PolarHBondContact O-N 2.85Å |
| 46 | K | 65.3 | Low | 78.1 | Confident | 132 Ų | 132 | 64.3 Ų | 64.3 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.5 | 173.2 | 58.6 | -176.4 | 178.7 | -179.8 | 0 | 110.5 | E43 G44 | E43-K46 PolarHBondContact N-O 2.87Å; G44-K46 PolarHBondContact O-N 3.47Å |
| 47 | R | 69.6 | Low | 78 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 136.4 | 163.5 | -77.7 | -174.8 | -92.9 | -141.6 | -1.9 | 108.7 | E12 W29 Y42 | E12-R47 IonicContact OE1-NH2 3.18Å; E12-R47 PolarHBondContact OE1-NH2 3.22Å; E12-R47 IonicContact OE2-CZ 2.68Å; E12-R47 IonicContact OE2-NH1 2.87Å; E12-R47 PolarHBondContact OE2-NH1 3.14Å; E12-R47 IonicContact OE2-NH2 2.77Å; E12-R47 PolarHBondContact OE2-NH2 3.45Å; W29-R47 HydrophobicContact CB-CG 4.02Å; W29-R47 HydrophobicContact CD2-CG 4.38Å; W29-R47 HydrophobicContact CG-CG 3.65Å; W29-R47 VanDerWaalsContact NE1-CZ 3.34Å; Y42-R47 HydrophobicContact CD2-CB 4.43Å; Y42-R47 HydrophobicContact CD2-CG 3.86Å; Y42-R47 HydrophobicContact CE2-CG 4.04Å |
| 48 | D | 66.2 | Low | 77.6 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 140.4 | 166.8 | -169 | -15.1 | 0 | 0 | 0 | 109.4 | Y40 K41 C50 | Y40-D48 WeakPolarHBondContact CD1-O 3.22Å; K41-D48 HydrophobicContact CB-CB 4Å; K41-D48 VanDerWaalsContact O-CB 3.24Å; K41-D48 WeakPolarHBondContact O-CB 3.41Å; K41-D48 PolarHBondContact O-N 3.03Å; D48-C50 PolarHBondContact O-N 3.29Å; D48-C50 PolarHBondContact OD1-N 3.34Å; D48-C50 VanDerWaalsContact OD1-N 3.07Å |
| 49 | S | 63.2 | Low | 77.2 | Confident | 116 Ų | 116 | 70 Ų | 70 | 81% | 0.811 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -26.6 | 175 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 50 | C | 64.6 | Low | 77.1 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.3 | 179.4 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | D48 R52 | D48-C50 PolarHBondContact O-N 3.29Å; D48-C50 PolarHBondContact OD1-N 3.34Å; D48-C50 VanDerWaalsContact OD1-N 3.07Å; C50-R52 PolarHBondContact O-N 3.47Å |
| 51 | Q | 75.6 | Confident | 77.3 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 127.3 | 168.2 | -179.3 | -168.4 | -20.6 | 0 | 0 | 110.1 | Y40 G53 | Y40-Q51 HydrophobicContact CD1-CB 4.29Å; Y40-Q51 HydrophobicContact CE1-CB 3.73Å; Y40-Q51 HydrophobicContact CE1-CG 4.25Å; Q51-G53 WeakPolarHBondContact CG-O 3.5Å; Q51-G53 PolarHBondContact NE2-O 2.81Å |
| 52 | R | 79.8 | Confident | 77.7 | Confident | 163 Ų | 163 | 70.5 Ų | 70.5 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -31.1 | 180 | -165.3 | 64.8 | 172.7 | 108.6 | -6.3 | 112.3 | Y39 C50 | Y39-R52 HydrophobicContact CD2-CB 3.93Å; Y39-R52 HydrophobicContact CD2-CG 4.46Å; Y39-R52 HydrophobicContact CE2-CB 3.82Å; Y39-R52 HydrophobicContact CE2-CG 3.97Å; Y39-R52 PolarHBondContact O-N 3.3Å; C50-R52 PolarHBondContact O-N 3.47Å |
| 53 | G | 83.9 | Confident | 78.6 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y39 Q51 | Y39-G53 WeakPolarHBondContact CD1-O 3.33Å; Y39-G53 VanDerWaalsContact CZ-CA 3.44Å; Y39-G53 PolarHBondContact N-O 3.43Å; Y39-G53 VanDerWaalsContact N-O 3.08Å; Y39-G53 PolarHBondContact O-N 3.44Å; Q51-G53 WeakPolarHBondContact CG-O 3.5Å; Q51-G53 PolarHBondContact NE2-O 2.81Å |
| 54 | K | 89.1 | Confident | 79.6 | Confident | 130 Ų | 130 | 68.6 Ų | 68.6 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.5 | 177.8 | 46.8 | -175.5 | -176.6 | -176.1 | 0 | 110.6 | L37 L38 | L37-K54 CarbonylContact O-C 3.53Å; L37-K54 WeakPolarHBondContact O-CA 3.47Å; L38-K54 HydrophobicContact CD2-CB 3.79Å |
| 55 | I | 89.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.5 | 167.2 | -47.1 | 179.4 | 0 | 0 | 0 | 105.6 | K36 L37 L78 T80 H86 | K36-I55 CarbonylContact C-O 3.58Å; K36-I55 VanDerWaalsContact CA-O 3.27Å; K36-I55 WeakPolarHBondContact CA-O 3.37Å; K36-I55 WeakPolarHBondContact CB-O 3.46Å; L37-I55 HydrophobicContact CB-CB 4.25Å; L37-I55 HydrophobicContact CD2-CD1 4.24Å; L37-I55 PolarHBondContact N-O 3.14Å; L37-I55 PolarHBondContact O-N 2.94Å; I55-L78 HydrophobicContact CD1-CD1 4.34Å; I55-T80 HydrophobicContact CG2-CG2 3.87Å; I55-H86 HydrophobicContact CD1-CB 3.92Å; I55-H86 WeakPolarHBondContact CD1-ND1 3.35Å; I55-H86 WeakPolarHBondContact CG1-ND1 3.48Å |
| 56 | L | 87.5 | Confident | 81.6 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 131.4 | 175.1 | -66 | 175 | 0 | 0 | 0 | 108.4 | K36 | K36-L56 HydrophobicContact CB-CD2 4.4Å |
| 57 | L | 90.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -83 | -24.5 | -177.7 | -64.4 | -179.7 | 0 | 0 | 0 | 112.1 | L32 D35 L37 D59 C60 I103 A106 L107 L110 | L32-L57 HydrophobicContact CD1-CD1 3.67Å; D35-L57 PolarHBondContact O-N 2.66Å; L37-L57 HydrophobicContact CB-CD2 4.3Å; L57-D59 PolarHBondContact O-N 3.4Å; L57-D59 VanDerWaalsContact O-N 3.11Å; L57-C60 WeakPolarHBondContact O-CB 3.29Å; L57-C60 PolarHBondContact O-N 3.04Å; L57-I103 HydrophobicContact CD2-CG2 4.09Å; L57-A106 HydrophobicContact CD1-CB 3.89Å; L57-L107 HydrophobicContact CB-CD2 3.77Å; L57-L107 WeakPolarHBondContact O-CD2 3.48Å; L57-L110 HydrophobicContact CB-CD1 3.72Å | ||
| 58 | K | 85.1 | Confident | 82.2 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 39% | 0.391 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 122.6 | 178.8 | -176 | 169.7 | -176.9 | 164.4 | 0 | 111.3 | C60 D114 | K58-C60 PolarHBondContact O-N 3.26Å; K58-D114 WeakPolarHBondContact CE-OD2 3.24Å; K58-D114 IonicContact NZ-OD1 3.58Å; K58-D114 IonicContact NZ-OD2 2.63Å; K58-D114 PolarHBondContact NZ-OD2 2.68Å |
| 59 | D | 84.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.3 | -177.1 | -42.6 | -46.5 | 0 | 0 | 0 | 114.3 | L57 K81 | L57-D59 PolarHBondContact O-N 3.4Å; L57-D59 VanDerWaalsContact O-N 3.11Å; D59-K81 HydrophobicContact CB-CB 3.81Å |
| 60 | C | 88.9 | Confident | 81.7 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | trans | -81.5 | 137.6 | 173.9 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | L57 K58 Q79 L107 | L57-C60 WeakPolarHBondContact O-CB 3.29Å; L57-C60 PolarHBondContact O-N 3.04Å; K58-C60 PolarHBondContact O-N 3.26Å; C60-Q79 CarbonylContact C-O 3.47Å; C60-Q79 VanDerWaalsContact CA-O 3.26Å; C60-Q79 WeakPolarHBondContact CA-O 3.29Å; C60-Q79 VanDerWaalsContact SG-C 3.58Å; C60-Q79 PolarHBondContact SG-O 2.83Å; C60-L107 HydrophobicContact CB-CD2 3.8Å; C60-L107 WeakPolarHBondContact O-CD1 3.45Å | ||
| 61 | L | 91.1 | Very high | 81.7 | Confident | 107 Ų | 107 | 75 Ų | 75 | 56% | 0.56 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 139.5 | 171.1 | -58.9 | 175.3 | 0 | 0 | 0 | 109.4 | L78 Q79 | L61-L78 CarbonylContact O-C 3.58Å; L61-L78 WeakPolarHBondContact O-CA 3.35Å; L61-Q79 HydrophobicContact CB-CB 4.32Å; L61-Q79 PolarHBondContact N-O 2.85Å; L61-Q79 PolarHBondContact O-N 2.84Å |
| 62 | I | 93.9 | Very high | 81.8 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 22% | 0.221 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134 | 175.1 | -174.7 | 167.1 | 0 | 0 | 0 | 110 | F76 K77 L78 A100 I103 L107 | I62-F76 HydrophobicContact CD1-CD2 4.34Å; I62-K77 CarbonylContact C-O 3.51Å; I62-K77 WeakPolarHBondContact CA-O 3.42Å; I62-L78 HydrophobicContact CB-CD2 3.79Å; I62-L78 HydrophobicContact CD1-CD2 3.87Å; I62-L78 HydrophobicContact CG1-CD2 3.72Å; I62-A100 HydrophobicContact CD1-CB 3.66Å; I62-I103 HydrophobicContact CD1-CB 4.25Å; I62-I103 HydrophobicContact CD1-CG2 4.18Å; I62-L107 HydrophobicContact CG2-CD1 4.27Å |
| 63 | T | 93.6 | Very high | 81.6 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 110.8 | 171.6 | -47.8 | 0 | 0 | 0 | 0 | 108.1 | F66 F76 K77 | T63-F66 HydrophobicContact CG2-CD2 4.4Å; T63-F76 WeakPolarHBondContact O-CA 3.33Å; T63-K77 PolarHBondContact N-O 3.08Å; T63-K77 PolarHBondContact O-N 3.35Å |
| 64 | C | 88.5 | Confident | 81.6 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 31% | 0.311 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -141.4 | 126 | 178.6 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | F76 A100 | C64-F76 HydrophobicContact CB-CB 4Å; C64-A100 HydrophobicContact CB-CB 3.72Å |
| 65 | P | 82.6 | Confident | 81.5 | Confident | 57 Ų | 57 | 61 Ų | 61 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | S | Bend | cis | -70.4 | 157.1 | -5.5 | 32.8 | -37.3 | 0 | 0 | 0 | 112.5 | L67 | P65-L67 HydrophobicContact CB-CD2 3.91Å; P65-L67 HydrophobicContact CB-CG 3.98Å; P65-L67 HydrophobicContact CG-CD1 4.13Å; P65-L67 HydrophobicContact CG-CD2 4.4Å; P65-L67 HydrophobicContact CG-CG 4.07Å |
| 66 | F | 81.6 | Confident | 81.6 | Confident | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | trans | -108.7 | 101.7 | 167.8 | -177.1 | -98.5 | 0 | 0 | 0 | 109.2 | T63 E68 Y69 A75 K77 F87 | T63-F66 HydrophobicContact CG2-CD2 4.4Å; F66-E68 HydrophobicContact CE1-CB 3.76Å; F66-E68 HydrophobicContact CE1-CG 4.33Å; F66-E68 HydrophobicContact CE2-CB 4.15Å; F66-E68 VanDerWaalsContact CE2-CD 3.41Å; F66-E68 HydrophobicContact CE2-CG 3.8Å; F66-E68 WeakPolarHBondContact CE2-OE1 3.43Å; F66-E68 HydrophobicContact CZ-CB 3.52Å; F66-E68 VanDerWaalsContact CZ-CD 3.4Å; F66-E68 HydrophobicContact CZ-CG 3.68Å; F66-E68 VanDerWaalsContact CZ-OE2 3.31Å; F66-E68 WeakPolarHBondContact CZ-OE2 3.27Å; F66-Y69 AromaticContact CD1-CD2 3.9Å; F66-Y69 HydrophobicContact CD1-CD2 3.9Å; F66-Y69 HydrophobicContact CD1-CE2 4.17Å; F66-Y69 AromaticContact CE1-CD2 3.64Å; F66-Y69 HydrophobicContact CE1-CD2 3.64Å; F66-Y69 AromaticContact CE1-CE2 3.64Å; F66-Y69 HydrophobicContact CE1-CE2 3.64Å; F66-Y69 HydrophobicContact CE1-CG 4.34Å; F66-A75 PolarHBondContact N-O 2.87Å; F66-K77 HydrophobicContact CB-CB 4.3Å; F66-K77 HydrophobicContact CD2-CB 3.92Å; F66-K77 HydrophobicContact CD2-CD 4.16Å; F66-K77 HydrophobicContact CE2-CD 3.95Å; F66-K77 HydrophobicContact CG-CB 4.1Å; F66-F87 AromaticContact CD1-CD1 3.95Å; F66-F87 HydrophobicContact CD1-CD1 3.95Å; F66-F87 HydrophobicContact CD1-CE1 4.2Å; F66-F87 AromaticContact CE1-CD1 3.65Å; F66-F87 HydrophobicContact CE1-CD1 3.65Å; F66-F87 AromaticContact CE1-CE1 3.54Å; F66-F87 HydrophobicContact CE1-CE1 3.54Å; F66-F87 HydrophobicContact CE2-CE1 4.03Å; F66-F87 HydrophobicContact CZ-CD1 4.04Å; F66-F87 AromaticContact CZ-CE1 3.44Å; F66-F87 HydrophobicContact CZ-CE1 3.44Å; F66-F87 VanDerWaalsContact CZ-CE1 3.44Å; F66-F87 HydrophobicContact CZ-CZ 4.46Å | ||
| 67 | L | 74.6 | Confident | 82 | Confident | 111 Ų | 111 | 58.1 Ų | 58.1 | 58% | 0.581 | 30% | 0.301 | S | S | * | . | trans | -101.5 | 7.8 | -168.9 | -60.4 | 179.1 | 0 | 0 | 0 | 114.3 | P65 Y69 | P65-L67 HydrophobicContact CB-CD2 3.91Å; P65-L67 HydrophobicContact CB-CG 3.98Å; P65-L67 HydrophobicContact CG-CD1 4.13Å; P65-L67 HydrophobicContact CG-CD2 4.4Å; P65-L67 HydrophobicContact CG-CG 4.07Å; L67-Y69 PolarHBondContact O-N 3.4Å | ||
| 68 | E | 72.8 | Confident | 82.1 | Confident | 155 Ų | 155 | 58.1 Ų | 58.1 | 72% | 0.724 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -72.2 | -14.7 | 178.9 | -57.7 | 178 | -161.8 | 0 | 0 | 112.9 | F66 | F66-E68 HydrophobicContact CE1-CB 3.76Å; F66-E68 HydrophobicContact CE1-CG 4.33Å; F66-E68 HydrophobicContact CE2-CB 4.15Å; F66-E68 VanDerWaalsContact CE2-CD 3.41Å; F66-E68 HydrophobicContact CE2-CG 3.8Å; F66-E68 WeakPolarHBondContact CE2-OE1 3.43Å; F66-E68 HydrophobicContact CZ-CB 3.52Å; F66-E68 VanDerWaalsContact CZ-CD 3.4Å; F66-E68 HydrophobicContact CZ-CG 3.68Å; F66-E68 VanDerWaalsContact CZ-OE2 3.31Å; F66-E68 WeakPolarHBondContact CZ-OE2 3.27Å |
| 69 | Y | 63.6 | Low | 82.3 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | trans | -94.9 | 102.6 | 169.7 | -67.6 | -51.9 | 0 | 0 | 0 | 110.4 | R18 W25 F66 L67 N71 R72 F87 | R18-Y69 WeakPolarHBondContact CD-OH 3.02Å; R18-Y69 PolarHBondContact NE-OH 3.22Å; R18-Y69 VanDerWaalsContact NE-OH 3.16Å; W25-Y69 HydrophobicContact CH2-CD2 4.15Å; W25-Y69 AromaticContact CH2-CE2 3.97Å; W25-Y69 HydrophobicContact CH2-CE2 3.97Å; W25-Y69 AromaticContact CZ2-CD2 3.87Å; W25-Y69 HydrophobicContact CZ2-CD2 3.87Å; W25-Y69 AromaticContact CZ2-CE2 3.63Å; W25-Y69 HydrophobicContact CZ2-CE2 3.63Å; F66-Y69 AromaticContact CD1-CD2 3.9Å; F66-Y69 HydrophobicContact CD1-CD2 3.9Å; F66-Y69 HydrophobicContact CD1-CE2 4.17Å; F66-Y69 AromaticContact CE1-CD2 3.64Å; F66-Y69 HydrophobicContact CE1-CD2 3.64Å; F66-Y69 AromaticContact CE1-CE2 3.64Å; F66-Y69 HydrophobicContact CE1-CE2 3.64Å; F66-Y69 HydrophobicContact CE1-CG 4.34Å; L67-Y69 PolarHBondContact O-N 3.4Å; Y69-N71 VanDerWaalsContact C-N 3.26Å; Y69-N71 PolarHBondContact O-N 3.12Å; Y69-R72 CarbonylContact O-C 3.58Å; Y69-R72 PolarHBondContact O-N 3.48Å; Y69-F87 HydrophobicContact CE2-CB 4.07Å; Y69-F87 AromaticContact CE2-CD1 3.67Å; Y69-F87 HydrophobicContact CE2-CD1 3.67Å; Y69-F87 HydrophobicContact CE2-CE1 4.24Å; Y69-F87 AromaticContact CE2-CG 3.85Å; Y69-F87 HydrophobicContact CE2-CG 3.85Å | ||
| 70 | E | 56.1 | Low | 82.5 | Confident | 174 Ų | 174 | 53.8 Ų | 53.8 | 81% | 0.813 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -41 | -179.9 | -62.6 | -172.1 | 159.3 | 0 | 0 | 113 | R72 | E70-R72 VanDerWaalsContact C-N 3.34Å; E70-R72 PolarHBondContact O-N 3.48Å |
| 71 | N | 64.1 | Low | 82.2 | Confident | 95 Ų | 95 | 59 Ų | 59 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.3 | -178.6 | -65.1 | -44 | 0 | 0 | 0 | 114.2 | Y69 D291 | Y69-N71 VanDerWaalsContact C-N 3.26Å; Y69-N71 PolarHBondContact O-N 3.12Å; N71-D291 HydrophobicContact CB-CB 4.37Å |
| 72 | R | 77.7 | Confident | 81.4 | Confident | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | trans | -136.3 | 64.1 | 179.8 | -65 | -173.7 | -176 | -95 | -8.8 | 112 | W25 Y69 E70 L74 A75 E89 P288 K290 D291 | W25-R72 VanDerWaalsContact CD2-CZ 3.49Å; W25-R72 VanDerWaalsContact CE2-CD 3.41Å; Y69-R72 CarbonylContact O-C 3.58Å; Y69-R72 PolarHBondContact O-N 3.48Å; E70-R72 VanDerWaalsContact C-N 3.34Å; E70-R72 PolarHBondContact O-N 3.48Å; R72-L74 PolarHBondContact O-N 3.33Å; R72-A75 HydrophobicContact CB-CB 4.39Å; R72-A75 VanDerWaalsContact O-CB 3.27Å; R72-A75 WeakPolarHBondContact O-CB 3.33Å; R72-A75 PolarHBondContact O-N 2.89Å; R72-A75 VanDerWaalsContact O-N 3.12Å; R72-E89 WeakPolarHBondContact CA-OE1 3.37Å; R72-E89 WeakPolarHBondContact CB-OE1 3.1Å; R72-E89 WeakPolarHBondContact CD-OE2 3.44Å; R72-E89 IonicContact CZ-OE2 3.83Å; R72-E89 IonicContact NE-OE2 2.74Å; R72-E89 IonicContact NH1-OE2 3.15Å; R72-E89 PolarHBondContact NH1-OE2 2.9Å; R72-P288 PolarHBondContact NH1-O 2.8Å; R72-P288 PolarHBondContact NH2-O 3.26Å; R72-K290 VanDerWaalsContact NH2-C 3.26Å; R72-K290 PolarHBondContact NH2-O 3.28Å; R72-D291 IonicContact CZ-OD1 3.55Å; R72-D291 VanDerWaalsContact CZ-OD1 3.24Å; R72-D291 IonicContact NE-OD1 3.07Å; R72-D291 PolarHBondContact NE-OD1 2.86Å; R72-D291 IonicContact NH2-OD1 3.86Å; R72-D291 PolarHBondContact NH2-OD1 3.09Å | ||
| 73 | P | 75.6 | Confident | 80.7 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.8 | -175.7 | 29.9 | -37 | 0 | 0 | 0 | 113.8 | A75 R96 | P73-A75 VanDerWaalsContact C-N 3.31Å; P73-R96 PolarHBondContact O-NH1 2.83Å; P73-R96 VanDerWaalsContact O-NH1 3.09Å |
| 74 | L | 84.3 | Confident | 80.2 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 10.9 | 179.1 | -51.6 | 179.5 | 0 | 0 | 0 | 112 | R72 E89 A90 C91 R93 R96 | R72-L74 PolarHBondContact O-N 3.33Å; L74-E89 HydrophobicContact CB-CG 3.96Å; L74-A90 WeakPolarHBondContact CB-O 3.3Å; L74-A90 PolarHBondContact O-N 3.08Å; L74-C91 WeakPolarHBondContact CD1-O 3.32Å; L74-R93 HydrophobicContact CD2-CB 4.23Å; L74-R96 WeakPolarHBondContact O-CD 3.43Å; L74-R96 WeakPolarHBondContact O-CG 3.27Å |
| 75 | A | 86.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 152.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F66 R72 P73 L88 E89 | F66-A75 PolarHBondContact N-O 2.87Å; R72-A75 HydrophobicContact CB-CB 4.39Å; R72-A75 VanDerWaalsContact O-CB 3.27Å; R72-A75 WeakPolarHBondContact O-CB 3.33Å; R72-A75 PolarHBondContact O-N 2.89Å; R72-A75 VanDerWaalsContact O-N 3.12Å; P73-A75 VanDerWaalsContact C-N 3.31Å; A75-L88 CarbonylContact C-O 3.59Å; A75-L88 WeakPolarHBondContact CA-O 3.33Å; A75-E89 HydrophobicContact CB-CB 4.45Å |
| 76 | F | 91.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.3 | 167.1 | 65.9 | -81.3 | 0 | 0 | 0 | 109.3 | L15 I62 T63 C64 L78 L88 R96 W99 I103 | L15-F76 HydrophobicContact CD1-CE1 4.27Å; L15-F76 HydrophobicContact CD1-CZ 3.92Å; L15-F76 HydrophobicContact CD2-CE1 4.31Å; I62-F76 HydrophobicContact CD1-CD2 4.34Å; T63-F76 WeakPolarHBondContact O-CA 3.33Å; C64-F76 HydrophobicContact CB-CB 4Å; F76-L78 HydrophobicContact CD2-CG 4.43Å; F76-L78 HydrophobicContact CE2-CD1 4.39Å; F76-L78 HydrophobicContact CE2-CG 4.28Å; F76-L88 HydrophobicContact CD1-CB 4.11Å; F76-L88 WeakPolarHBondContact CD1-O 3.4Å; F76-L88 HydrophobicContact CD2-CB 4.39Å; F76-L88 HydrophobicContact CE1-CB 3.62Å; F76-L88 HydrophobicContact CE2-CB 3.93Å; F76-L88 HydrophobicContact CE2-CD1 3.65Å; F76-L88 HydrophobicContact CE2-CG 4.35Å; F76-L88 HydrophobicContact CG-CB 4.49Å; F76-L88 HydrophobicContact CZ-CB 3.53Å; F76-L88 HydrophobicContact CZ-CD1 3.64Å; F76-L88 HydrophobicContact CZ-CG 4.22Å; F76-L88 PolarHBondContact N-O 2.9Å; F76-L88 PolarHBondContact O-N 3.44Å; F76-R96 HydrophobicContact CB-CG 4.34Å; F76-R96 HydrophobicContact CD1-CG 3.89Å; F76-R96 HydrophobicContact CG-CG 4.5Å; F76-W99 HydrophobicContact CE1-CB 4.34Å; F76-W99 HydrophobicContact CZ-CB 4.15Å; F76-I103 HydrophobicContact CE2-CD1 3.81Å; F76-I103 HydrophobicContact CZ-CD1 4.28Å |
| 77 | K | 94.8 | Very high | 81.1 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137 | -176.5 | -170.4 | 178 | 85.3 | 160.2 | 0 | 110.8 | I62 T63 F66 D85 H86 F87 | I62-K77 CarbonylContact C-O 3.51Å; I62-K77 WeakPolarHBondContact CA-O 3.42Å; T63-K77 PolarHBondContact N-O 3.08Å; T63-K77 PolarHBondContact O-N 3.35Å; F66-K77 HydrophobicContact CB-CB 4.3Å; F66-K77 HydrophobicContact CD2-CB 3.92Å; F66-K77 HydrophobicContact CD2-CD 4.16Å; F66-K77 HydrophobicContact CE2-CD 3.95Å; F66-K77 HydrophobicContact CG-CB 4.1Å; K77-D85 HydrophobicContact CD-CB 4.19Å; K77-D85 WeakPolarHBondContact CD-OD2 3.1Å; K77-D85 WeakPolarHBondContact CE-OD2 3.31Å; K77-D85 HydrophobicContact CG-CB 4.41Å; K77-D85 IonicContact NZ-OD1 2.84Å; K77-D85 IonicContact NZ-OD2 3.14Å; K77-D85 PolarHBondContact NZ-OD2 2.97Å; K77-H86 CarbonylContact C-O 3.55Å; K77-H86 WeakPolarHBondContact CA-O 3.48Å; K77-F87 HydrophobicContact CB-CD1 4.2Å; K77-F87 HydrophobicContact CB-CE1 4.32Å; K77-F87 HydrophobicContact CD-CD1 4.07Å; K77-F87 HydrophobicContact CD-CE1 3.37Å; K77-F87 HydrophobicContact CD-CZ 3.88Å; K77-F87 HydrophobicContact CG-CD1 3.91Å; K77-F87 HydrophobicContact CG-CE1 3.73Å; K77-F87 HydrophobicContact CG-CZ 4.36Å |
| 78 | L | 92.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.6 | 168.7 | -64.7 | 175.9 | 0 | 0 | 0 | 109.1 | L37 I55 L61 I62 F76 H86 L88 I103 | L37-L78 HydrophobicContact CD2-CD1 3.77Å; I55-L78 HydrophobicContact CD1-CD1 4.34Å; L61-L78 CarbonylContact O-C 3.58Å; L61-L78 WeakPolarHBondContact O-CA 3.35Å; I62-L78 HydrophobicContact CB-CD2 3.79Å; I62-L78 HydrophobicContact CD1-CD2 3.87Å; I62-L78 HydrophobicContact CG1-CD2 3.72Å; F76-L78 HydrophobicContact CD2-CG 4.43Å; F76-L78 HydrophobicContact CE2-CD1 4.39Å; F76-L78 HydrophobicContact CE2-CG 4.28Å; L78-H86 HydrophobicContact CB-CB 4.23Å; L78-H86 PolarHBondContact N-O 3.43Å; L78-H86 WeakPolarHBondContact O-CB 3.36Å; L78-H86 PolarHBondContact O-N 2.84Å; L78-L88 HydrophobicContact CD1-CD1 3.85Å; L78-I103 HydrophobicContact CD1-CD1 4.23Å; L78-I103 HydrophobicContact CD2-CG2 3.94Å |
| 79 | Q | 90.9 | Very high | 83 | Confident | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.1 | 174.4 | 179.7 | 170.6 | 75.2 | 0 | 0 | 109.3 | C60 L61 V84 D85 | C60-Q79 CarbonylContact C-O 3.47Å; C60-Q79 VanDerWaalsContact CA-O 3.26Å; C60-Q79 WeakPolarHBondContact CA-O 3.29Å; C60-Q79 VanDerWaalsContact SG-C 3.58Å; C60-Q79 PolarHBondContact SG-O 2.83Å; L61-Q79 HydrophobicContact CB-CB 4.32Å; L61-Q79 PolarHBondContact N-O 2.85Å; L61-Q79 PolarHBondContact O-N 2.84Å; Q79-V84 WeakPolarHBondContact CA-O 3.3Å; Q79-D85 VanDerWaalsContact CB-OD1 3.31Å; Q79-D85 WeakPolarHBondContact CB-OD1 3.47Å; Q79-D85 WeakPolarHBondContact CG-OD1 3.28Å; Q79-D85 PolarHBondContact NE2-OD1 2.83Å |
| 80 | T | 86.8 | Confident | 84.4 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | trans | -69.3 | 163.5 | 177.8 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | I55 H82 G83 V84 | I55-T80 HydrophobicContact CG2-CG2 3.87Å; T80-H82 PolarHBondContact O-N 3.02Å; T80-G83 PolarHBondContact O-N 2.82Å; T80-V84 PolarHBondContact N-O 2.71Å; T80-V84 WeakPolarHBondContact OG1-CB 3.47Å; T80-V84 PolarHBondContact OG1-N 3.1Å; T80-V84 PolarHBondContact OG1-O 3.42Å | ||
| 81 | K | 82.3 | Confident | 85.9 | Confident | 112 Ų | 112 | 37.3 Ų | 37.3 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -22.5 | 176.6 | 78.4 | -179 | -174.2 | 172.5 | 0 | 115.8 | D59 G83 | D59-K81 HydrophobicContact CB-CB 3.81Å; K81-G83 VanDerWaalsContact C-N 3.32Å |
| 82 | H | 76.3 | Confident | 86.9 | Confident | 151 Ų | 151 | 33.5 Ų | 33.5 | 70% | 0.699 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.8 | 178.4 | -61.4 | -64.2 | 0 | 0 | 0 | 112.8 | T80 V84 | T80-H82 PolarHBondContact O-N 3.02Å; H82-V84 VanDerWaalsContact C-N 3.3Å; H82-V84 PolarHBondContact O-N 3.11Å |
| 83 | G | 78.9 | Confident | 87.1 | Confident | 46 Ų | 46 | 39.6 Ų | 39.6 | 47% | 0.474 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 77.8 | 8.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T80 K81 D85 | T80-G83 PolarHBondContact O-N 2.82Å; K81-G83 VanDerWaalsContact C-N 3.32Å; G83-D85 PolarHBondContact O-N 3.5Å |
| 84 | V | 81.9 | Confident | 87.8 | Confident | 64 Ų | 64 | 41.2 Ų | 41.2 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | trans | -80.3 | 121.6 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | Q79 T80 H82 | Q79-V84 WeakPolarHBondContact CA-O 3.3Å; T80-V84 PolarHBondContact N-O 2.71Å; T80-V84 WeakPolarHBondContact OG1-CB 3.47Å; T80-V84 PolarHBondContact OG1-N 3.1Å; T80-V84 PolarHBondContact OG1-O 3.42Å; H82-V84 VanDerWaalsContact C-N 3.3Å; H82-V84 PolarHBondContact O-N 3.11Å | ||
| 85 | D | 88.3 | Confident | 88.1 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.4 | -179.5 | -77.4 | 1 | 0 | 0 | 0 | 112.5 | H20 K77 Q79 G83 F87 | H20-D85 PolarHBondContact CE1-O 3.48Å; H20-D85 PolarHBondContact ND1-O 3.11Å; K77-D85 HydrophobicContact CD-CB 4.19Å; K77-D85 WeakPolarHBondContact CD-OD2 3.1Å; K77-D85 WeakPolarHBondContact CE-OD2 3.31Å; K77-D85 HydrophobicContact CG-CB 4.41Å; K77-D85 IonicContact NZ-OD1 2.84Å; K77-D85 IonicContact NZ-OD2 3.14Å; K77-D85 PolarHBondContact NZ-OD2 2.97Å; Q79-D85 VanDerWaalsContact CB-OD1 3.31Å; Q79-D85 WeakPolarHBondContact CB-OD1 3.47Å; Q79-D85 WeakPolarHBondContact CG-OD1 3.28Å; Q79-D85 PolarHBondContact NE2-OD1 2.83Å; G83-D85 PolarHBondContact O-N 3.5Å; D85-F87 HydrophobicContact CB-CE2 3.84Å; D85-F87 HydrophobicContact CB-CZ 3.85Å |
| 86 | H | 90.5 | Very high | 88.4 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.2 | 174.8 | -68 | -117.8 | 0 | 0 | 0 | 109.8 | H20 I55 K77 L78 | H20-H86 AromaticContact CE1-CD2 3.68Å; H20-H86 AromaticContact CE1-CE1 3.66Å; H20-H86 AromaticContact CE1-CG 3.7Å; H20-H86 AromaticContact CE1-ND1 3.69Å; H20-H86 AromaticContact CE1-NE2 3.62Å; H20-H86 AromaticContact NE2-CD2 3.86Å; H20-H86 AromaticContact NE2-CE1 3.04Å; H20-H86 PolarHBondContact NE2-CE1 3.44Å; H20-H86 AromaticContact NE2-CG 3.76Å; H20-H86 AromaticContact NE2-ND1 3.26Å; H20-H86 PolarHBondContact NE2-ND1 2.99Å; H20-H86 AromaticContact NE2-NE2 3.4Å; H20-H86 PolarHBondContact NE2-NE2 2.94Å; I55-H86 HydrophobicContact CD1-CB 3.92Å; I55-H86 WeakPolarHBondContact CD1-ND1 3.35Å; I55-H86 WeakPolarHBondContact CG1-ND1 3.48Å; K77-H86 CarbonylContact C-O 3.55Å; K77-H86 WeakPolarHBondContact CA-O 3.48Å; L78-H86 HydrophobicContact CB-CB 4.23Å; L78-H86 PolarHBondContact N-O 3.43Å; L78-H86 WeakPolarHBondContact O-CB 3.36Å; L78-H86 PolarHBondContact O-N 2.84Å |
| 87 | F | 93.6 | Very high | 88.4 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.2 | 176.9 | -52 | -87.2 | 0 | 0 | 0 | 110.6 | R18 W25 F66 Y69 K77 D85 | R18-F87 HydrophobicContact CB-CB 3.99Å; R18-F87 HydrophobicContact CB-CD2 4.43Å; R18-F87 PolarHBondContact N-O 2.96Å; R18-F87 VanDerWaalsContact N-O 3.1Å; W25-F87 HydrophobicContact CH2-CB 3.77Å; W25-F87 HydrophobicContact CZ2-CB 4.48Å; W25-F87 HydrophobicContact CZ3-CB 4.37Å; F66-F87 AromaticContact CD1-CD1 3.95Å; F66-F87 HydrophobicContact CD1-CD1 3.95Å; F66-F87 HydrophobicContact CD1-CE1 4.2Å; F66-F87 AromaticContact CE1-CD1 3.65Å; F66-F87 HydrophobicContact CE1-CD1 3.65Å; F66-F87 AromaticContact CE1-CE1 3.54Å; F66-F87 HydrophobicContact CE1-CE1 3.54Å; F66-F87 HydrophobicContact CE2-CE1 4.03Å; F66-F87 HydrophobicContact CZ-CD1 4.04Å; F66-F87 AromaticContact CZ-CE1 3.44Å; F66-F87 HydrophobicContact CZ-CE1 3.44Å; F66-F87 VanDerWaalsContact CZ-CE1 3.44Å; F66-F87 HydrophobicContact CZ-CZ 4.46Å; Y69-F87 HydrophobicContact CE2-CB 4.07Å; Y69-F87 AromaticContact CE2-CD1 3.67Å; Y69-F87 HydrophobicContact CE2-CD1 3.67Å; Y69-F87 HydrophobicContact CE2-CE1 4.24Å; Y69-F87 AromaticContact CE2-CG 3.85Å; Y69-F87 HydrophobicContact CE2-CG 3.85Å; K77-F87 HydrophobicContact CB-CD1 4.2Å; K77-F87 HydrophobicContact CB-CE1 4.32Å; K77-F87 HydrophobicContact CD-CD1 4.07Å; K77-F87 HydrophobicContact CD-CE1 3.37Å; K77-F87 HydrophobicContact CD-CZ 3.88Å; K77-F87 HydrophobicContact CG-CD1 3.91Å; K77-F87 HydrophobicContact CG-CE1 3.73Å; K77-F87 HydrophobicContact CG-CZ 4.36Å; D85-F87 HydrophobicContact CB-CE2 3.84Å; D85-F87 HydrophobicContact CB-CZ 3.85Å |
| 88 | L | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.2 | -176.6 | -60.5 | 175.8 | 0 | 0 | 0 | 109.4 | L15 V16 K17 F30 L37 A75 F76 L78 | L15-L88 HydrophobicContact CD1-CB 4.46Å; L15-L88 HydrophobicContact CD1-CD1 4.28Å; V16-L88 CarbonylContact O-C 3.54Å; V16-L88 VanDerWaalsContact O-CA 3.31Å; V16-L88 WeakPolarHBondContact O-CA 3.39Å; K17-L88 HydrophobicContact CB-CD2 3.73Å; K17-L88 HydrophobicContact CD-CD2 4.37Å; K17-L88 HydrophobicContact CG-CD2 3.85Å; F30-L88 HydrophobicContact CE1-CD1 4.32Å; F30-L88 HydrophobicContact CE1-CD2 3.82Å; F30-L88 HydrophobicContact CE2-CD2 4.07Å; F30-L88 HydrophobicContact CZ-CD2 3.35Å; L37-L88 HydrophobicContact CD2-CD1 3.9Å; A75-L88 CarbonylContact C-O 3.59Å; A75-L88 WeakPolarHBondContact CA-O 3.33Å; F76-L88 HydrophobicContact CD1-CB 4.11Å; F76-L88 WeakPolarHBondContact CD1-O 3.4Å; F76-L88 HydrophobicContact CD2-CB 4.39Å; F76-L88 HydrophobicContact CE1-CB 3.62Å; F76-L88 HydrophobicContact CE2-CB 3.93Å; F76-L88 HydrophobicContact CE2-CD1 3.65Å; F76-L88 HydrophobicContact CE2-CG 4.35Å; F76-L88 HydrophobicContact CG-CB 4.49Å; F76-L88 HydrophobicContact CZ-CB 3.53Å; F76-L88 HydrophobicContact CZ-CD1 3.64Å; F76-L88 HydrophobicContact CZ-CG 4.22Å; F76-L88 PolarHBondContact N-O 2.9Å; F76-L88 PolarHBondContact O-N 3.44Å; L78-L88 HydrophobicContact CD1-CD1 3.85Å |
| 89 | E | 91.4 | Very high | 88.7 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.9 | 177.7 | -177 | -178.8 | -147.4 | 0 | 0 | 110.7 | L15 V16 W25 R72 L74 A75 | L15-E89 WeakPolarHBondContact CA-O 3.17Å; L15-E89 WeakPolarHBondContact CD2-O 3.4Å; V16-E89 HydrophobicContact CB-CB 4.29Å; V16-E89 PolarHBondContact N-O 3.35Å; V16-E89 PolarHBondContact O-N 3.42Å; W25-E89 HydrophobicContact CZ3-CB 4.23Å; R72-E89 WeakPolarHBondContact CA-OE1 3.37Å; R72-E89 WeakPolarHBondContact CB-OE1 3.1Å; R72-E89 WeakPolarHBondContact CD-OE2 3.44Å; R72-E89 IonicContact CZ-OE2 3.83Å; R72-E89 IonicContact NE-OE2 2.74Å; R72-E89 IonicContact NH1-OE2 3.15Å; R72-E89 PolarHBondContact NH1-OE2 2.9Å; L74-E89 HydrophobicContact CB-CG 3.96Å; A75-E89 HydrophobicContact CB-CB 4.45Å |
| 90 | A | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -98.1 | 167.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L15 L74 S92 E95 R96 Y258 | L15-A90 HydrophobicContact CD2-CB 3.76Å; L74-A90 WeakPolarHBondContact CB-O 3.3Å; L74-A90 PolarHBondContact O-N 3.08Å; A90-S92 VanDerWaalsContact C-N 3.28Å; A90-S92 PolarHBondContact O-N 3.47Å; A90-E95 HydrophobicContact CB-CB 4.14Å; A90-E95 HydrophobicContact CB-CG 4.37Å; A90-R96 HydrophobicContact CB-CB 3.87Å; A90-Y258 PolarHBondContact O-OH 2.9Å | ||
| 91 | C | 88 | Confident | 89.4 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -77.3 | -19.4 | -178.8 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | L74 E95 R256 G257 Y258 L273 | L74-C91 WeakPolarHBondContact CD1-O 3.32Å; C91-E95 PolarHBondContact N-OE2 3.34Å; C91-E95 PolarHBondContact SG-OE2 3.34Å; C91-R256 WeakPolarHBondContact O-CD 3.4Å; C91-R256 WeakPolarHBondContact O-CG 3.44Å; C91-R256 PolarHBondContact O-NE 2.56Å; C91-G257 VanDerWaalsContact SG-CA 3.58Å; C91-Y258 HydrophobicContact CB-CD1 4.42Å; C91-Y258 HydrophobicContact CB-CD2 3.73Å; C91-Y258 HydrophobicContact CB-CE1 4.24Å; C91-Y258 HydrophobicContact CB-CE2 3.56Å; C91-Y258 HydrophobicContact CB-CG 4.16Å; C91-Y258 VanDerWaalsContact N-CE2 3.35Å; C91-L273 HydrophobicContact CB-CD1 3.7Å |
| 92 | S | 85.4 | Confident | 90.1 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -143.5 | 165.7 | -177.8 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | A90 E94 E95 R96 R256 | A90-S92 VanDerWaalsContact C-N 3.28Å; A90-S92 PolarHBondContact O-N 3.47Å; S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 VanDerWaalsContact CB-OE2 3.29Å; S92-E94 WeakPolarHBondContact CB-OE2 3.48Å; S92-E94 PolarHBondContact OG-OE2 2.88Å; S92-E95 VanDerWaalsContact OG-CB 3.23Å; S92-E95 WeakPolarHBondContact OG-CB 3.48Å; S92-E95 PolarHBondContact OG-N 3.16Å; S92-R96 WeakPolarHBondContact O-CB 3.4Å; S92-R96 PolarHBondContact O-N 3.46Å; S92-R256 VanDerWaalsContact CB-CZ 3.47Å |
| 93 | R | 82.9 | Confident | 91 | Very high | 132 Ų | 132 | 37.2 Ų | 37.2 | 50% | 0.498 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 176 | -171 | -168.4 | -149.4 | -83.6 | 8 | 109.6 | L74 R96 D97 | L74-R93 HydrophobicContact CD2-CB 4.23Å; R93-R96 WeakPolarHBondContact O-CB 3.2Å; R93-R96 PolarHBondContact O-N 2.79Å; R93-D97 IonicContact NH1-OD2 3.41Å; R93-D97 PolarHBondContact NH1-OD2 2.73Å; R93-D97 WeakPolarHBondContact O-CB 3.23Å; R93-D97 PolarHBondContact O-N 3.06Å |
| 94 | E | 89.3 | Confident | 91.8 | Very high | 104 Ų | 104 | 37.4 Ų | 37.4 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.2 | -51.7 | 179.4 | -58.4 | 67.5 | -142.5 | 0 | 0 | 109.6 | S92 R96 D97 E98 R256 | S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 VanDerWaalsContact CB-OE2 3.29Å; S92-E94 WeakPolarHBondContact CB-OE2 3.48Å; S92-E94 PolarHBondContact OG-OE2 2.88Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 3.23Å; E94-D97 PolarHBondContact O-N 3.37Å; E94-E98 WeakPolarHBondContact O-CB 3.35Å; E94-E98 VanDerWaalsContact O-CG 3.31Å; E94-E98 WeakPolarHBondContact O-CG 3.14Å; E94-E98 PolarHBondContact O-N 2.87Å; E94-R256 IonicContact OE2-NH2 2.88Å; E94-R256 PolarHBondContact OE2-NH2 3.31Å; E94-R256 VanDerWaalsContact OE2-NH2 3.07Å |
| 95 | E | 90.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 179 | -161.6 | -160.9 | -178 | 0 | 0 | 111.5 | A90 C91 S92 E98 W99 | A90-E95 HydrophobicContact CB-CB 4.14Å; A90-E95 HydrophobicContact CB-CG 4.37Å; C91-E95 PolarHBondContact N-OE2 3.34Å; C91-E95 PolarHBondContact SG-OE2 3.34Å; S92-E95 VanDerWaalsContact OG-CB 3.23Å; S92-E95 WeakPolarHBondContact OG-CB 3.48Å; S92-E95 PolarHBondContact OG-N 3.16Å; E95-E98 PolarHBondContact O-N 3.01Å; E95-W99 WeakPolarHBondContact O-CB 3.37Å; E95-W99 PolarHBondContact O-N 3.38Å; E95-W99 PolarHBondContact OE1-NE1 3.14Å |
| 96 | R | 92.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -51.4 | 174.1 | -179.6 | -160.5 | 66.4 | -159.7 | -0.1 | 111.1 | P73 L74 F76 A90 S92 R93 E94 E98 W99 A100 | P73-R96 PolarHBondContact O-NH1 2.83Å; P73-R96 VanDerWaalsContact O-NH1 3.09Å; L74-R96 WeakPolarHBondContact O-CD 3.43Å; L74-R96 WeakPolarHBondContact O-CG 3.27Å; F76-R96 HydrophobicContact CB-CG 4.34Å; F76-R96 HydrophobicContact CD1-CG 3.89Å; F76-R96 HydrophobicContact CG-CG 4.5Å; A90-R96 HydrophobicContact CB-CB 3.87Å; S92-R96 WeakPolarHBondContact O-CB 3.4Å; S92-R96 PolarHBondContact O-N 3.46Å; R93-R96 WeakPolarHBondContact O-CB 3.2Å; R93-R96 PolarHBondContact O-N 2.79Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 3.23Å; R96-E98 VanDerWaalsContact C-N 3.28Å; R96-E98 PolarHBondContact O-N 3.21Å; R96-W99 PolarHBondContact O-N 2.86Å; R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.24Å |
| 97 | D | 92 | Very high | 92.8 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.3 | -37.2 | -175.7 | -67.7 | -14.1 | 0 | 0 | 0 | 110.3 | R93 E94 A100 A101 | R93-D97 IonicContact NH1-OD2 3.41Å; R93-D97 PolarHBondContact NH1-OD2 2.73Å; R93-D97 WeakPolarHBondContact O-CB 3.23Å; R93-D97 PolarHBondContact O-N 3.06Å; E94-D97 PolarHBondContact O-N 3.37Å; D97-A100 PolarHBondContact O-N 2.88Å; D97-A101 WeakPolarHBondContact O-CB 3.49Å; D97-A101 PolarHBondContact O-N 2.77Å |
| 98 | E | 95.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.2 | -47.1 | 172 | -75.3 | 179.4 | -163.3 | 0 | 0 | 113.8 | R11 E94 E95 R96 A100 A101 D102 | R11-E98 IonicContact CZ-OE2 3.45Å; R11-E98 IonicContact NH1-OE2 3.35Å; R11-E98 PolarHBondContact NH1-OE2 3.19Å; R11-E98 IonicContact NH2-OE2 2.66Å; R11-E98 PolarHBondContact NH2-OE2 2.99Å; E94-E98 WeakPolarHBondContact O-CB 3.35Å; E94-E98 VanDerWaalsContact O-CG 3.31Å; E94-E98 WeakPolarHBondContact O-CG 3.14Å; E94-E98 PolarHBondContact O-N 2.87Å; E95-E98 PolarHBondContact O-N 3.01Å; R96-E98 VanDerWaalsContact C-N 3.28Å; R96-E98 PolarHBondContact O-N 3.21Å; E98-A100 VanDerWaalsContact C-N 3.27Å; E98-A100 PolarHBondContact O-N 3.33Å; E98-A101 PolarHBondContact O-N 2.75Å; E98-D102 PolarHBondContact O-N 2.89Å |
| 99 | W | 97 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 174.4 | -89.5 | 104.7 | 0 | 0 | 0 | 110.9 | R11 L15 F30 L32 L37 F76 E95 R96 I103 | R11-W99 HydrophobicContact CB-CH2 4.35Å; R11-W99 HydrophobicContact CB-CZ3 4.23Å; R11-W99 VanDerWaalsContact CD-CE3 3.44Å; R11-W99 HydrophobicContact CG-CD2 4.22Å; R11-W99 HydrophobicContact CG-CE3 4.14Å; R11-W99 HydrophobicContact CG-CH2 3.67Å; R11-W99 HydrophobicContact CG-CZ2 3.77Å; R11-W99 HydrophobicContact CG-CZ3 3.87Å; L15-W99 HydrophobicContact CD1-CD2 3.86Å; L15-W99 HydrophobicContact CD1-CE3 4.11Å; L15-W99 HydrophobicContact CD1-CG 4.29Å; L15-W99 HydrophobicContact CD1-CH2 4.48Å; L15-W99 HydrophobicContact CD1-CZ2 4.23Å; L15-W99 HydrophobicContact CD1-CZ3 4.42Å; L15-W99 HydrophobicContact CD2-CD2 4.4Å; L15-W99 HydrophobicContact CD2-CG 4.21Å; L15-W99 HydrophobicContact CG-CD2 4.38Å; L15-W99 HydrophobicContact CG-CZ2 4.26Å; F30-W99 HydrophobicContact CB-CH2 3.7Å; F30-W99 HydrophobicContact CB-CZ2 4.31Å; F30-W99 HydrophobicContact CB-CZ3 4.24Å; L32-W99 HydrophobicContact CB-CZ3 4.15Å; L37-W99 HydrophobicContact CD1-CZ3 4Å; F76-W99 HydrophobicContact CE1-CB 4.34Å; F76-W99 HydrophobicContact CZ-CB 4.15Å; E95-W99 WeakPolarHBondContact O-CB 3.37Å; E95-W99 PolarHBondContact O-N 3.38Å; E95-W99 PolarHBondContact OE1-NE1 3.14Å; R96-W99 PolarHBondContact O-N 2.86Å; W99-I103 HydrophobicContact CE3-CD1 4.4Å; W99-I103 WeakPolarHBondContact O-CB 3.26Å; W99-I103 WeakPolarHBondContact O-CD1 3.13Å; W99-I103 WeakPolarHBondContact O-CG1 3.46Å; W99-I103 PolarHBondContact O-N 3.04Å |
| 100 | A | 95.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I62 C64 R96 D97 E98 T104 | I62-A100 HydrophobicContact CD1-CB 3.66Å; C64-A100 HydrophobicContact CB-CB 3.72Å; R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.24Å; D97-A100 PolarHBondContact O-N 2.88Å; E98-A100 VanDerWaalsContact C-N 3.27Å; E98-A100 PolarHBondContact O-N 3.33Å; A100-T104 VanDerWaalsContact O-CB 3.31Å; A100-T104 WeakPolarHBondContact O-CB 3.43Å; A100-T104 PolarHBondContact O-N 3.32Å; A100-T104 PolarHBondContact O-OG1 3.36Å |
| 101 | A | 96.3 | Very high | 92 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D97 E98 I103 T104 A105 | D97-A101 WeakPolarHBondContact O-CB 3.49Å; D97-A101 PolarHBondContact O-N 2.77Å; E98-A101 PolarHBondContact O-N 2.75Å; A101-I103 PolarHBondContact O-N 3.2Å; A101-T104 PolarHBondContact O-N 2.85Å; A101-A105 WeakPolarHBondContact O-CB 3.49Å; A101-A105 PolarHBondContact O-N 3.04Å |
| 102 | D | 96.8 | Very high | 91.7 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | -179.7 | -74.8 | -20.2 | 0 | 0 | 0 | 112.4 | R11 L32 E98 A105 A106 | R11-D102 IonicContact CZ-OD2 2.69Å; R11-D102 IonicContact NE-OD2 3.11Å; R11-D102 PolarHBondContact NE-OD2 2.99Å; R11-D102 IonicContact NH2-OD2 2.97Å; R11-D102 PolarHBondContact NH2-OD2 3.37Å; L32-D102 HydrophobicContact CD2-CB 3.73Å; E98-D102 PolarHBondContact O-N 2.89Å; D102-A105 PolarHBondContact O-N 3.31Å; D102-A106 PolarHBondContact O-N 2.77Å |
| 103 | I | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 173.8 | -68 | 163.8 | 0 | 0 | 0 | 110.1 | L32 L37 L57 I62 F76 L78 W99 A101 A105 A106 L107 | L32-I103 HydrophobicContact CD1-CG1 3.98Å; L32-I103 HydrophobicContact CD2-CG1 4.07Å; L37-I103 HydrophobicContact CD2-CD1 4.19Å; L57-I103 HydrophobicContact CD2-CG2 4.09Å; I62-I103 HydrophobicContact CD1-CB 4.25Å; I62-I103 HydrophobicContact CD1-CG2 4.18Å; F76-I103 HydrophobicContact CE2-CD1 3.81Å; F76-I103 HydrophobicContact CZ-CD1 4.28Å; L78-I103 HydrophobicContact CD1-CD1 4.23Å; L78-I103 HydrophobicContact CD2-CG2 3.94Å; W99-I103 HydrophobicContact CE3-CD1 4.4Å; W99-I103 WeakPolarHBondContact O-CB 3.26Å; W99-I103 WeakPolarHBondContact O-CD1 3.13Å; W99-I103 WeakPolarHBondContact O-CG1 3.46Å; W99-I103 PolarHBondContact O-N 3.04Å; A101-I103 PolarHBondContact O-N 3.2Å; I103-A105 VanDerWaalsContact C-N 3.32Å; I103-A105 PolarHBondContact O-N 2.87Å; I103-A106 WeakPolarHBondContact O-CB 3.31Å; I103-A106 PolarHBondContact O-N 3.16Å; I103-A106 VanDerWaalsContact O-N 3.14Å; I103-L107 HydrophobicContact CG2-CD1 4.06Å; I103-L107 HydrophobicContact CG2-CG 4.32Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.3Å; I103-L107 PolarHBondContact O-N 3.03Å |
| 104 | T | 95.4 | Very high | 90.2 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | A100 A101 A106 L107 N108 | A100-T104 VanDerWaalsContact O-CB 3.31Å; A100-T104 WeakPolarHBondContact O-CB 3.43Å; A100-T104 PolarHBondContact O-N 3.32Å; A100-T104 PolarHBondContact O-OG1 3.36Å; A101-T104 PolarHBondContact O-N 2.85Å; T104-A106 VanDerWaalsContact C-N 3.32Å; T104-A106 PolarHBondContact O-N 3.38Å; T104-L107 WeakPolarHBondContact O-CB 2.8Å; T104-L107 PolarHBondContact O-N 3.11Å; T104-N108 VanDerWaalsContact O-CG 3.3Å; T104-N108 PolarHBondContact O-N 2.95Å; T104-N108 PolarHBondContact O-ND2 3.45Å |
| 105 | A | 94.8 | Very high | 88.4 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A101 D102 I103 K109 | A101-A105 WeakPolarHBondContact O-CB 3.49Å; A101-A105 PolarHBondContact O-N 3.04Å; D102-A105 PolarHBondContact O-N 3.31Å; I103-A105 VanDerWaalsContact C-N 3.32Å; I103-A105 PolarHBondContact O-N 2.87Å; A105-K109 WeakPolarHBondContact O-CG 3.21Å; A105-K109 PolarHBondContact O-N 2.97Å |
| 106 | A | 93.8 | Very high | 85.8 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L10 L57 D102 I103 T104 N108 K109 L110 | L10-A106 HydrophobicContact CD1-CB 4.06Å; L57-A106 HydrophobicContact CD1-CB 3.89Å; D102-A106 PolarHBondContact O-N 2.77Å; I103-A106 WeakPolarHBondContact O-CB 3.31Å; I103-A106 PolarHBondContact O-N 3.16Å; I103-A106 VanDerWaalsContact O-N 3.14Å; T104-A106 VanDerWaalsContact C-N 3.32Å; T104-A106 PolarHBondContact O-N 3.38Å; A106-N108 PolarHBondContact O-N 3.21Å; A106-K109 PolarHBondContact O-N 3.28Å; A106-L110 WeakPolarHBondContact O-CG 3.5Å; A106-L110 PolarHBondContact O-N 2.98Å; A106-L110 VanDerWaalsContact O-N 3.14Å |
| 107 | L | 92.9 | Very high | 82.9 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.3 | -48 | 176.5 | -67.9 | 171.5 | 0 | 0 | 0 | 112.3 | L57 C60 I62 I103 T104 K109 L110 Q111 | L57-L107 HydrophobicContact CB-CD2 3.77Å; L57-L107 WeakPolarHBondContact O-CD2 3.48Å; C60-L107 HydrophobicContact CB-CD2 3.8Å; C60-L107 WeakPolarHBondContact O-CD1 3.45Å; I62-L107 HydrophobicContact CG2-CD1 4.27Å; I103-L107 HydrophobicContact CG2-CD1 4.06Å; I103-L107 HydrophobicContact CG2-CG 4.32Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.3Å; I103-L107 PolarHBondContact O-N 3.03Å; T104-L107 WeakPolarHBondContact O-CB 2.8Å; T104-L107 PolarHBondContact O-N 3.11Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 2.81Å; L107-L110 WeakPolarHBondContact O-CB 3.43Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-L110 VanDerWaalsContact O-N 3.15Å; L107-Q111 PolarHBondContact O-N 2.85Å |
| 108 | N | 92 | Very high | 80.4 | Confident | 90 Ų | 90 | 70.3 Ų | 70.3 | 48% | 0.481 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | -179.5 | -69 | -17.1 | 0 | 0 | 0 | 112 | T104 A106 L110 Q111 A112 | T104-N108 VanDerWaalsContact O-CG 3.3Å; T104-N108 PolarHBondContact O-N 2.95Å; T104-N108 PolarHBondContact O-ND2 3.45Å; A106-N108 PolarHBondContact O-N 3.21Å; N108-L110 VanDerWaalsContact C-N 3.34Å; N108-L110 PolarHBondContact O-N 2.88Å; N108-Q111 PolarHBondContact O-N 2.82Å; N108-A112 PolarHBondContact O-N 3.12Å |
| 109 | K | 91.4 | Very high | 77.1 | Confident | 143 Ų | 143 | 74.9 Ų | 74.9 | 62% | 0.622 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | 175.3 | -73.6 | 174.4 | -178.4 | 178.9 | 0 | 112 | A105 A106 L107 A112 T113 | A105-K109 WeakPolarHBondContact O-CG 3.21Å; A105-K109 PolarHBondContact O-N 2.97Å; A106-K109 PolarHBondContact O-N 3.28Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 2.81Å; K109-A112 PolarHBondContact O-N 2.89Å; K109-T113 PolarHBondContact O-N 3.16Å; K109-T113 PolarHBondContact O-OG1 2.83Å |
| 110 | L | 88.4 | Confident | 73.9 | Confident | 41 Ų | 41 | 79.8 Ų | 79.8 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 176.6 | -67.5 | 171.4 | 0 | 0 | 0 | 112.5 | P34 L57 A106 L107 N108 T113 D114 | P34-L110 WeakPolarHBondContact O-CD1 3.49Å; L57-L110 HydrophobicContact CB-CD1 3.72Å; A106-L110 WeakPolarHBondContact O-CG 3.5Å; A106-L110 PolarHBondContact O-N 2.98Å; A106-L110 VanDerWaalsContact O-N 3.14Å; L107-L110 WeakPolarHBondContact O-CB 3.43Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-L110 VanDerWaalsContact O-N 3.15Å; N108-L110 VanDerWaalsContact C-N 3.34Å; N108-L110 PolarHBondContact O-N 2.88Å; L110-T113 WeakPolarHBondContact CA-OG1 3.34Å; L110-T113 PolarHBondContact O-N 2.82Å; L110-T113 PolarHBondContact O-OG1 3.1Å; L110-D114 PolarHBondContact O-N 2.74Å |
| 111 | Q | 84.8 | Confident | 71 | Confident | 109 Ų | 109 | 87.9 Ų | 87.9 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.3 | -39.7 | 175.7 | -70.9 | -179.6 | -1.3 | 0 | 0 | 112 | L107 N108 T113 D114 G115 | L107-Q111 PolarHBondContact O-N 2.85Å; N108-Q111 PolarHBondContact O-N 2.82Å; Q111-T113 PolarHBondContact O-N 2.83Å; Q111-D114 PolarHBondContact O-N 3.25Å; Q111-D114 VanDerWaalsContact O-N 3.09Å; Q111-G115 PolarHBondContact O-N 3.2Å |
| 112 | A | 81.1 | Confident | 67.7 | Low | 80 Ų | 80 | 94.3 Ų | 94.3 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -29.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N108 K109 | N108-A112 PolarHBondContact O-N 3.12Å; K109-A112 PolarHBondContact O-N 2.89Å |
| 113 | T | 73.8 | Confident | 64.3 | Low | 115 Ų | 115 | 98.2 Ų | 98.2 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -77.5 | -17.4 | 175.8 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | K109 L110 Q111 | K109-T113 PolarHBondContact O-N 3.16Å; K109-T113 PolarHBondContact O-OG1 2.83Å; L110-T113 WeakPolarHBondContact CA-OG1 3.34Å; L110-T113 PolarHBondContact O-N 2.82Å; L110-T113 PolarHBondContact O-OG1 3.1Å; Q111-T113 PolarHBondContact O-N 2.83Å |
| 114 | D | 63.6 | Low | 61.1 | Low | 94 Ų | 94 | 103.5 Ų | 103.5 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | 6.8 | -176.7 | -123.2 | 12.4 | 0 | 0 | 0 | 112.8 | K58 L110 Q111 G116 | K58-D114 WeakPolarHBondContact CE-OD2 3.24Å; K58-D114 IonicContact NZ-OD1 3.58Å; K58-D114 IonicContact NZ-OD2 2.63Å; K58-D114 PolarHBondContact NZ-OD2 2.68Å; L110-D114 PolarHBondContact O-N 2.74Å; Q111-D114 PolarHBondContact O-N 3.25Å; Q111-D114 VanDerWaalsContact O-N 3.09Å; D114-G116 PolarHBondContact O-N 2.82Å |
| 115 | G | 51.7 | Low | 58.2 | Low | 76 Ų | 76 | 105.7 Ų | 105.7 | 78% | 0.784 | 62% | 0.619 | S | S | * | * | trans | -70.2 | 76.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q111 | Q111-G115 PolarHBondContact O-N 3.2Š| ||
| 116 | G | 36.5 | Very low | 55.2 | Low | 67 Ų | 67 | 113.3 Ų | 113.3 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -138 | 95.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D114 | D114-G116 PolarHBondContact O-N 2.82Š|
| 117 | K | 31.5 | Very low | 52.3 | Low | 207 Ų | 207 | 116.1 Ų | 116.1 | 90% | 0.9 | 67% | 0.666 | S | S | * | * | trans | 84.8 | 120.2 | 172.2 | -70.9 | -176.7 | 177.3 | 178.2 | 0 | 119.1 | ||||
| 118 | P | 38.9 | Very low | 50 | Low | 131 Ų | 131 | 127.7 Ų | 127.7 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | trans | -89.4 | 148.8 | 164.3 | 35.6 | -28.2 | 0 | 0 | 0 | 110.8 | ||||
| 119 | M | 27.1 | Very low | 47.5 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 95% | 0.951 | 73% | 0.726 | S | S | * | * | trans | -133.2 | 141.9 | 161.7 | -159.3 | 145.1 | 65.4 | 0 | 0 | 111.5 | ||||
| 120 | S | 28.7 | Very low | 45.2 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -74.7 | 158.4 | -159.2 | 171.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 121 | Q | 36.4 | Very low | 43.2 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -34.3 | 151.1 | 164.7 | -63.3 | 170.6 | -24.9 | 0 | 0 | 116.5 | ||||
| 122 | K | 26.3 | Very low | 41.8 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | -171 | 125.8 | 123.8 | -104.4 | 176.6 | -179.4 | -175 | 0 | 115 | |||||
| 123 | D | 25.6 | Very low | 41 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | 47.7 | 114.7 | 134 | -61.2 | -29.5 | 0 | 0 | 0 | 124.4 | ||||
| 124 | S | 29.5 | Very low | 40.5 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | 62.8 | 134.9 | 116 | 90.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 125 | A | 32.9 | Very low | 40.1 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 81.3 | 73.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 126 | Q | 31.8 | Very low | 40.7 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 95% | 0.949 | 71% | 0.71 | S | S | * | * | trans | -165.1 | 125.4 | 149.8 | -107.6 | 166.1 | -12.4 | 0 | 0 | 104.8 | ||||
| 127 | S | 33.8 | Very low | 42.2 | Very low | 62 Ų | 62 | 130.9 Ų | 130.9 | 43% | 0.434 | 68% | 0.678 | S | S | . | * | cis | -158.3 | 124.3 | 34.7 | 162.1 | 0 | 0 | 0 | 0 | 107.8 | L129 | S127-L129 PolarHBondContact O-N 3.18Å; S127-L129 VanDerWaalsContact O-N 3.12Å | ||
| 128 | R | 43.6 | Very low | 44 | Very low | 255 Ų | 255 | 122 Ų | 122 | 96% | 0.962 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 21.1 | -175.4 | -133.5 | 177.7 | -157.1 | 168.4 | 4.4 | 113.9 | ||
| 129 | L | 40.3 | Very low | 45 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 13.9 | 179 | -71.7 | 168.1 | 0 | 0 | 0 | 113.8 | S127 | S127-L129 PolarHBondContact O-N 3.18Å; S127-L129 VanDerWaalsContact O-N 3.12Å |
| 130 | Q | 42.8 | Very low | 47.1 | Very low | 164 Ų | 164 | 113.4 Ų | 113.4 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -110.9 | 8.6 | 177.3 | -72.7 | -174.8 | -12.7 | 0 | 0 | 114.9 | ||
| 131 | N | 46.6 | Very low | 49.2 | Very low | 156 Ų | 156 | 108.5 Ų | 108.5 | 83% | 0.834 | 56% | 0.56 | S | S | * | * | trans | -119.9 | 25.1 | -168.2 | -94.5 | -9 | 0 | 0 | 0 | 115.2 | N133 | N131-N133 PolarHBondContact O-N 2.81Š| ||
| 132 | I | 55 | Low | 50.5 | Low | 90 Ų | 90 | 105.4 Ų | 105.4 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | trans | -85.7 | 100.8 | 166.4 | -57.5 | 178.9 | 0 | 0 | 0 | 107.4 | L134 V137 L188 | I132-L134 PolarHBondContact O-N 2.95Å; I132-L134 VanDerWaalsContact O-N 3.11Å; I132-V137 HydrophobicContact CG2-CG2 3.57Å; I132-L188 HydrophobicContact CD1-CD2 4.48Å; I132-L188 HydrophobicContact CG2-CD1 3.89Å; I132-L188 HydrophobicContact CG2-CD2 4.25Å | ||
| 133 | N | 63.9 | Low | 52.3 | Low | 83 Ų | 83 | 99.4 Ų | 99.4 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | trans | -70.2 | 104.6 | 173.3 | -177.8 | -30 | 0 | 0 | 0 | 108.6 | N131 S135 K136 V137 | N131-N133 PolarHBondContact O-N 2.81Å; N133-S135 PolarHBondContact O-N 3.22Å; N133-S135 VanDerWaalsContact O-N 3.14Å; N133-S135 WeakPolarHBondContact OD1-CB 3.3Å; N133-S135 PolarHBondContact OD1-N 3.43Å; N133-S135 PolarHBondContact OD1-OG 2.87Å; N133-K136 HydrophobicContact CB-CB 4.33Å; N133-K136 HydrophobicContact CB-CD 4.19Å; N133-K136 HydrophobicContact CB-CG 4.08Å; N133-K136 WeakPolarHBondContact O-CB 3.4Å; N133-K136 PolarHBondContact O-N 2.9Å; N133-K136 PolarHBondContact OD1-N 3.24Å; N133-V137 PolarHBondContact O-N 2.74Å | ||
| 134 | L | 62.9 | Low | 53.8 | Low | 39 Ų | 39 | 99.1 Ų | 99.1 | 20% | 0.204 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -55.7 | -29 | -178.3 | -63.5 | 178.8 | 0 | 0 | 0 | 113.1 | I132 V137 L138 L188 A191 L192 E195 F197 | I132-L134 PolarHBondContact O-N 2.95Å; I132-L134 VanDerWaalsContact O-N 3.11Å; L134-V137 PolarHBondContact O-N 3.28Å; L134-L138 PolarHBondContact O-N 3.45Å; L134-L188 HydrophobicContact CD2-CD1 3.27Å; L134-A191 HydrophobicContact CD1-CB 4.18Å; L134-A191 HydrophobicContact CD2-CB 4.38Å; L134-L192 HydrophobicContact CB-CD2 4.05Å; L134-L192 HydrophobicContact CD2-CD2 4.14Å; L134-L192 HydrophobicContact CD2-CG 4.43Å; L134-E195 HydrophobicContact CD1-CG 4.01Å; L134-F197 HydrophobicContact CB-CE2 4.1Å |
| 135 | S | 57 | Low | 54.9 | Low | 50 Ų | 50 | 102.4 Ų | 102.4 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.9 | -38 | 176.6 | 83 | 0 | 0 | 0 | 0 | 111.8 | N133 V137 L138 D139 | N133-S135 PolarHBondContact O-N 3.22Å; N133-S135 VanDerWaalsContact O-N 3.14Å; N133-S135 WeakPolarHBondContact OD1-CB 3.3Å; N133-S135 PolarHBondContact OD1-N 3.43Å; N133-S135 PolarHBondContact OD1-OG 2.87Å; S135-V137 VanDerWaalsContact C-N 3.28Å; S135-V137 PolarHBondContact O-N 2.79Å; S135-L138 WeakPolarHBondContact O-CB 3.24Å; S135-L138 PolarHBondContact O-N 2.69Å; S135-D139 PolarHBondContact O-N 2.8Å |
| 136 | K | 63.3 | Low | 56.5 | Low | 139 Ų | 139 | 100.1 Ų | 100.1 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -32.6 | 174 | -68 | -172 | 177.6 | -176 | 0 | 112.4 | N133 S140 | N133-K136 HydrophobicContact CB-CB 4.33Å; N133-K136 HydrophobicContact CB-CD 4.19Å; N133-K136 HydrophobicContact CB-CG 4.08Å; N133-K136 WeakPolarHBondContact O-CB 3.4Å; N133-K136 PolarHBondContact O-N 2.9Å; N133-K136 PolarHBondContact OD1-N 3.24Å; K136-S140 WeakPolarHBondContact O-CB 3.36Å; K136-S140 PolarHBondContact O-N 2.91Å; K136-S140 VanDerWaalsContact O-N 3.12Å; K136-S140 PolarHBondContact O-OG 2.83Å |
| 137 | V | 68 | Low | 58.6 | Low | 3 Ų | 3 | 91 Ų | 91 | 2% | 0.018 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.1 | -47 | 172.8 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | I132 N133 L134 S135 S140 M141 W172 L173 L178 L188 L192 | I132-V137 HydrophobicContact CG2-CG2 3.57Å; N133-V137 PolarHBondContact O-N 2.74Å; L134-V137 PolarHBondContact O-N 3.28Å; S135-V137 VanDerWaalsContact C-N 3.28Å; S135-V137 PolarHBondContact O-N 2.79Å; V137-S140 WeakPolarHBondContact O-CB 3.35Å; V137-S140 PolarHBondContact O-N 3.14Å; V137-M141 HydrophobicContact CG1-SD 4.15Å; V137-M141 VanDerWaalsContact O-CG 3.25Å; V137-M141 WeakPolarHBondContact O-CG 3.29Å; V137-M141 PolarHBondContact O-N 3.43Å; V137-W172 HydrophobicContact CG1-CZ3 4.17Å; V137-L173 HydrophobicContact CG1-CD2 3.73Å; V137-L178 HydrophobicContact CG1-CD1 4.03Å; V137-L178 HydrophobicContact CG2-CD1 4.19Å; V137-L188 HydrophobicContact CG2-CD2 4.48Å; V137-L192 HydrophobicContact CG1-CD1 4.05Å |
| 138 | L | 69.9 | Low | 60.9 | Low | 22 Ų | 22 | 88.9 Ų | 88.9 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 176.6 | -172.8 | 65.7 | 0 | 0 | 0 | 112.9 | L134 S135 S140 M141 Y142 F197 F228 | L134-L138 PolarHBondContact O-N 3.45Å; S135-L138 WeakPolarHBondContact O-CB 3.24Å; S135-L138 PolarHBondContact O-N 2.69Å; L138-S140 PolarHBondContact O-N 2.91Å; L138-M141 HydrophobicContact CD1-SD 4.39Å; L138-M141 WeakPolarHBondContact O-CA 3.44Å; L138-M141 WeakPolarHBondContact O-CB 3.33Å; L138-M141 PolarHBondContact O-N 3.48Å; L138-Y142 HydrophobicContact CD1-CD2 4.1Å; L138-Y142 HydrophobicContact CD1-CE2 3.68Å; L138-Y142 HydrophobicContact CD2-CE2 4.25Å; L138-Y142 HydrophobicContact CG-CD2 3.95Å; L138-Y142 HydrophobicContact CG-CE2 3.74Å; L138-Y142 VanDerWaalsContact O-CD2 3.27Å; L138-Y142 WeakPolarHBondContact O-CD2 3.13Å; L138-Y142 PolarHBondContact O-N 3.14Å; L138-F197 HydrophobicContact CD1-CB 4.19Å; L138-F197 HydrophobicContact CD2-CB 4.02Å; L138-F197 HydrophobicContact CD2-CD1 3.54Å; L138-F197 HydrophobicContact CD2-CE1 4.24Å; L138-F197 HydrophobicContact CD2-CG 3.95Å; L138-F228 HydrophobicContact CD1-CD1 3.67Å; L138-F228 HydrophobicContact CD1-CE1 3.63Å |
| 139 | D | 58.9 | Low | 62.4 | Low | 99 Ų | 99 | 85.9 Ų | 85.9 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 176.9 | -64.1 | -28 | 0 | 0 | 0 | 111.2 | S135 Y142 D143 | S135-D139 PolarHBondContact O-N 2.8Å; D139-Y142 PolarHBondContact O-N 3.31Å; D139-D143 PolarHBondContact O-N 3.11Å |
| 140 | S | 70.9 | Confident | 64.2 | Low | 43 Ų | 43 | 82.2 Ų | 82.2 | 30% | 0.301 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.8 | -33.3 | 175.1 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | K136 V137 L138 Y142 D143 G147 W172 | K136-S140 WeakPolarHBondContact O-CB 3.36Å; K136-S140 PolarHBondContact O-N 2.91Å; K136-S140 VanDerWaalsContact O-N 3.12Å; K136-S140 PolarHBondContact O-OG 2.83Å; V137-S140 WeakPolarHBondContact O-CB 3.35Å; V137-S140 PolarHBondContact O-N 3.14Å; L138-S140 PolarHBondContact O-N 2.91Å; S140-Y142 VanDerWaalsContact C-N 3.26Å; S140-Y142 PolarHBondContact O-N 3.36Å; S140-D143 WeakPolarHBondContact O-CB 3.45Å; S140-D143 PolarHBondContact O-N 3.24Å; S140-G147 VanDerWaalsContact O-CA 3.23Å; S140-G147 WeakPolarHBondContact O-CA 3.01Å; S140-W172 VanDerWaalsContact C-CZ2 3.46Å; S140-W172 VanDerWaalsContact O-CZ2 3.32Å; S140-W172 WeakPolarHBondContact O-CZ2 3.32Å |
| 141 | M | 73.6 | Confident | 65.6 | Low | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.3 | -28.1 | 174 | -68.3 | 167.6 | 82.7 | 0 | 0 | 112.3 | V137 L138 G147 I148 V169 W172 L192 L198 F228 | V137-M141 HydrophobicContact CG1-SD 4.15Å; V137-M141 VanDerWaalsContact O-CG 3.25Å; V137-M141 WeakPolarHBondContact O-CG 3.29Å; V137-M141 PolarHBondContact O-N 3.43Å; L138-M141 HydrophobicContact CD1-SD 4.39Å; L138-M141 WeakPolarHBondContact O-CA 3.44Å; L138-M141 WeakPolarHBondContact O-CB 3.33Å; L138-M141 PolarHBondContact O-N 3.48Å; M141-G147 WeakPolarHBondContact O-CA 3.45Å; M141-I148 HydrophobicContact CB-CD1 4.45Å; M141-I148 HydrophobicContact CB-CG1 4.39Å; M141-I148 HydrophobicContact CE-CD1 3.37Å; M141-I148 HydrophobicContact CE-CG1 4.49Å; M141-I148 HydrophobicContact CG-CD1 4.06Å; M141-I148 HydrophobicContact CG-CG1 4.33Å; M141-I148 PolarHBondContact O-N 3.48Å; M141-V169 HydrophobicContact CE-CG1 4.08Å; M141-W172 HydrophobicContact CB-CH2 4.2Å; M141-W172 HydrophobicContact CB-CZ3 4.4Å; M141-W172 HydrophobicContact CG-CD2 4.48Å; M141-W172 HydrophobicContact CG-CE3 3.82Å; M141-W172 HydrophobicContact CG-CH2 3.43Å; M141-W172 VanDerWaalsContact CG-CH2 3.43Å; M141-W172 HydrophobicContact CG-CZ2 4.13Å; M141-W172 HydrophobicContact CG-CZ3 3.24Å; M141-W172 HydrophobicContact SD-CZ3 4.31Å; M141-L192 HydrophobicContact CE-CD1 4.32Å; M141-L192 HydrophobicContact SD-CD1 3.74Å; M141-L198 HydrophobicContact CE-CD1 4.33Å; M141-L198 HydrophobicContact CE-CD2 4.06Å; M141-F228 HydrophobicContact CB-CE1 3.95Å; M141-F228 HydrophobicContact CB-CZ 3.88Å; M141-F228 HydrophobicContact CE-CE1 4.06Å; M141-F228 HydrophobicContact SD-CE1 4.48Å |
| 142 | Y | 64.8 | Low | 66.9 | Low | 113 Ų | 113 | 74.9 Ų | 74.9 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.5 | 174.6 | -80.3 | -73.5 | 0 | 0 | 0 | 114.3 | L138 D139 S140 V144 F228 | L138-Y142 HydrophobicContact CD1-CD2 4.1Å; L138-Y142 HydrophobicContact CD1-CE2 3.68Å; L138-Y142 HydrophobicContact CD2-CE2 4.25Å; L138-Y142 HydrophobicContact CG-CD2 3.95Å; L138-Y142 HydrophobicContact CG-CE2 3.74Å; L138-Y142 VanDerWaalsContact O-CD2 3.27Å; L138-Y142 WeakPolarHBondContact O-CD2 3.13Å; L138-Y142 PolarHBondContact O-N 3.14Å; D139-Y142 PolarHBondContact O-N 3.31Å; S140-Y142 VanDerWaalsContact C-N 3.26Å; S140-Y142 PolarHBondContact O-N 3.36Å; Y142-V144 PolarHBondContact O-N 3.03Å; Y142-F228 HydrophobicContact CD1-CD2 4.17Å; Y142-F228 AromaticContact CD1-CE2 3.92Å; Y142-F228 HydrophobicContact CD1-CE2 3.92Å; Y142-F228 HydrophobicContact CD1-CZ 4.29Å; Y142-F228 HydrophobicContact CD2-CE1 4.35Å; Y142-F228 HydrophobicContact CD2-CZ 4.42Å; Y142-F228 HydrophobicContact CE1-CB 4.36Å; Y142-F228 HydrophobicContact CE1-CD1 4.34Å; Y142-F228 AromaticContact CE1-CD2 3.4Å; Y142-F228 HydrophobicContact CE1-CD2 3.4Å; Y142-F228 VanDerWaalsContact CE1-CD2 3.4Å; Y142-F228 AromaticContact CE1-CE2 3.64Å; Y142-F228 HydrophobicContact CE1-CE2 3.64Å; Y142-F228 AromaticContact CE1-CG 3.79Å; Y142-F228 HydrophobicContact CE1-CG 3.79Å; Y142-F228 HydrophobicContact CE1-CZ 4.21Å; Y142-F228 AromaticContact CE2-CD1 3.83Å; Y142-F228 HydrophobicContact CE2-CD1 3.83Å; Y142-F228 HydrophobicContact CE2-CD2 4.37Å; Y142-F228 AromaticContact CE2-CE1 4Å; Y142-F228 HydrophobicContact CE2-CE1 4Å; Y142-F228 HydrophobicContact CE2-CG 4.03Å; Y142-F228 HydrophobicContact CE2-CZ 4.33Å; Y142-F228 HydrophobicContact CG-CE2 4.48Å; Y142-F228 HydrophobicContact CG-CZ 4.41Å; Y142-F228 AromaticContact CZ-CD1 3.69Å; Y142-F228 AromaticContact CZ-CD2 3.55Å; Y142-F228 AromaticContact CZ-CE2 3.98Å; Y142-F228 AromaticContact CZ-CG 3.38Å; Y142-F228 WeakPolarHBondContact OH-CB 3.17Å; Y142-F228 WeakPolarHBondContact OH-CG 3.24Å |
| 143 | D | 62.1 | Low | 67.7 | Low | 65 Ų | 65 | 72.9 Ų | 72.9 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | trans | -62.1 | 135.5 | -178 | 179.8 | -105.1 | 0 | 0 | 0 | 112 | D139 S140 H145 S146 G147 | D139-D143 PolarHBondContact O-N 3.11Å; S140-D143 WeakPolarHBondContact O-CB 3.45Å; S140-D143 PolarHBondContact O-N 3.24Å; D143-H145 VanDerWaalsContact C-N 3.28Å; D143-H145 PolarHBondContact O-N 3.5Å; D143-H145 PolarHBondContact OD1-N 3.15Å; D143-S146 VanDerWaalsContact CG-OG 3.32Å; D143-S146 WeakPolarHBondContact OD1-CA 3.43Å; D143-S146 WeakPolarHBondContact OD1-CB 3.19Å; D143-S146 PolarHBondContact OD1-N 3.38Å; D143-S146 PolarHBondContact OD1-OG 3.24Å; D143-G147 WeakPolarHBondContact O-CA 3.25Å; D143-G147 PolarHBondContact O-N 3.02Å | ||
| 144 | V | 57.3 | Low | 67.8 | Low | 131 Ų | 131 | 74 Ų | 74 | 79% | 0.794 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -27 | -171.4 | 176.3 | 0 | 0 | 0 | 0 | 112.7 | Y142 | Y142-V144 PolarHBondContact O-N 3.03Š|
| 145 | H | 53 | Low | 67.9 | Low | 181 Ų | 181 | 73.8 Ų | 73.8 | 84% | 0.838 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -32.8 | -173.6 | -59.4 | 97.1 | 0 | 0 | 0 | 112.9 | D143 | D143-H145 VanDerWaalsContact C-N 3.28Å; D143-H145 PolarHBondContact O-N 3.5Å; D143-H145 PolarHBondContact OD1-N 3.15Å |
| 146 | S | 67.1 | Low | 68.1 | Low | 46 Ų | 46 | 78.6 Ų | 78.6 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -5.5 | -172.5 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | D143 W172 | D143-S146 VanDerWaalsContact CG-OG 3.32Å; D143-S146 WeakPolarHBondContact OD1-CA 3.43Å; D143-S146 WeakPolarHBondContact OD1-CB 3.19Å; D143-S146 PolarHBondContact OD1-N 3.38Å; D143-S146 PolarHBondContact OD1-OG 3.24Å; S146-W172 PolarHBondContact O-NE1 3.02Å |
| 147 | G | 76.4 | Confident | 67.7 | Low | 13 Ų | 13 | 75.5 Ų | 75.5 | 13% | 0.134 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -80.6 | -176.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S140 M141 D143 K149 | S140-G147 VanDerWaalsContact O-CA 3.23Å; S140-G147 WeakPolarHBondContact O-CA 3.01Å; M141-G147 WeakPolarHBondContact O-CA 3.45Å; D143-G147 WeakPolarHBondContact O-CA 3.25Å; D143-G147 PolarHBondContact O-N 3.02Å; G147-K149 PolarHBondContact O-N 3.29Å |
| 148 | I | 81.2 | Confident | 67 | Low | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.087 | 43% | 0.43 | C | S | . | . | trans | -75.5 | 125.5 | -177.8 | -63.7 | -173.6 | 0 | 0 | 0 | 109.8 | M141 L150 F164 V169 W172 | M141-I148 HydrophobicContact CB-CD1 4.45Å; M141-I148 HydrophobicContact CB-CG1 4.39Å; M141-I148 HydrophobicContact CE-CD1 3.37Å; M141-I148 HydrophobicContact CE-CG1 4.49Å; M141-I148 HydrophobicContact CG-CD1 4.06Å; M141-I148 HydrophobicContact CG-CG1 4.33Å; M141-I148 PolarHBondContact O-N 3.48Å; I148-L150 PolarHBondContact O-N 3.48Å; I148-F164 HydrophobicContact CG2-CB 3.73Å; I148-F164 HydrophobicContact CG2-CD1 3.61Å; I148-F164 HydrophobicContact CG2-CD2 4.35Å; I148-F164 HydrophobicContact CG2-CE1 4.29Å; I148-F164 HydrophobicContact CG2-CG 3.64Å; I148-V169 HydrophobicContact CD1-CB 4.21Å; I148-V169 HydrophobicContact CD1-CG1 4.29Å; I148-V169 HydrophobicContact CD1-CG2 3.93Å; I148-W172 HydrophobicContact CD1-CB 4.23Å; I148-W172 HydrophobicContact CD1-CD2 4.13Å; I148-W172 HydrophobicContact CD1-CE3 4.17Å; I148-W172 HydrophobicContact CD1-CG 4.15Å; I148-W172 HydrophobicContact CG1-CB 3.97Å; I148-W172 HydrophobicContact CG1-CD2 3.68Å; I148-W172 HydrophobicContact CG1-CE3 4.18Å; I148-W172 HydrophobicContact CG1-CG 3.54Å | ||
| 149 | K | 74.8 | Confident | 67 | Low | 191 Ų | 191 | 81.7 Ų | 81.7 | 83% | 0.83 | 45% | 0.453 | S | S | * | . | trans | -71.9 | 114.2 | 177.7 | -67.7 | -176.6 | -179.7 | 178 | 0 | 110.5 | G147 | G147-K149 PolarHBondContact O-N 3.29Š| ||
| 150 | L | 78.6 | Confident | 67.6 | Low | 81 Ų | 81 | 78.9 Ų | 78.9 | 42% | 0.424 | 44% | 0.436 | S | S | . | . | trans | -73.9 | 132.7 | 170.6 | -64.8 | 164.1 | 0 | 0 | 0 | 109.7 | I148 N162 F164 F228 | I148-L150 PolarHBondContact O-N 3.48Å; L150-N162 WeakPolarHBondContact CD2-O 3.43Å; L150-F164 HydrophobicContact CD2-CD1 3.64Å; L150-F164 HydrophobicContact CD2-CE1 3.9Å; L150-F228 HydrophobicContact CD1-CE2 4.46Å; L150-F228 HydrophobicContact CD2-CD2 4.17Å; L150-F228 HydrophobicContact CD2-CE2 4.05Å; L150-F228 HydrophobicContact CG-CE2 4.5Å | ||
| 151 | S | 71.6 | Confident | 67.5 | Low | 54 Ų | 54 | 80.5 Ų | 80.5 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 173.1 | 177.6 | 79.5 | 0 | 0 | 0 | 0 | 112.1 | H153 N162 C163 | S151-H153 PolarHBondContact OG-CD2 3.09Å; S151-H153 PolarHBondContact OG-NE2 3.31Å; S151-N162 PolarHBondContact O-N 2.95Å; S151-C163 PolarHBondContact N-O 2.95Å; S151-C163 PolarHBondContact O-N 3.21Å; S151-C163 VanDerWaalsContact O-N 3.17Å |
| 152 | N | 74.3 | Confident | 67.6 | Low | 111 Ų | 111 | 85.3 Ų | 85.3 | 59% | 0.594 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.2 | 176.3 | -63.4 | -26.9 | 0 | 0 | 0 | 109 | Y160 S161 | N152-Y160 CarbonylContact C-O 3.59Å; N152-Y160 VanDerWaalsContact CA-O 3.3Å; N152-Y160 WeakPolarHBondContact CA-O 3.43Å; N152-S161 WeakPolarHBondContact OD1-CA 3.14Å; N152-S161 WeakPolarHBondContact OD1-CB 3.44Å |
| 153 | H | 71.6 | Confident | 68.4 | Low | 49 Ų | 49 | 79.9 Ų | 79.9 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.3 | 178.9 | -67.2 | -104.4 | 0 | 0 | 0 | 110.2 | S151 Y160 C163 L225 | S151-H153 PolarHBondContact OG-CD2 3.09Å; S151-H153 PolarHBondContact OG-NE2 3.31Å; H153-Y160 PolarHBondContact N-O 2.93Å; H153-Y160 PolarHBondContact O-N 3.4Å; H153-C163 VanDerWaalsContact CD2-SG 3.5Å; H153-L225 HydrophobicContact CB-CD1 3.73Å; H153-L225 HydrophobicContact CB-CD2 4.02Å |
| 154 | V | 67.3 | Low | 69.6 | Low | 107 Ų | 107 | 76.9 Ų | 76.9 | 65% | 0.648 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.7 | 176 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | S158 T159 | V154-S158 WeakPolarHBondContact CA-O 3.47Å; V154-T159 HydrophobicContact CG2-CG2 4.28Å |
| 155 | E | 65.2 | Low | 71.2 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 15% | 0.154 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.5 | 179.1 | -174.4 | -176.6 | -163 | 0 | 0 | 109.4 | G157 S158 Y160 | E155-G157 PolarHBondContact O-N 2.94Å; E155-G157 VanDerWaalsContact O-N 3.08Å; E155-S158 PolarHBondContact N-O 2.78Å; E155-S158 PolarHBondContact O-N 2.82Å; E155-Y160 HydrophobicContact CB-CD2 4.37Å; E155-Y160 HydrophobicContact CB-CE2 4Å |
| 156 | Q | 59.8 | Low | 72.8 | Confident | 152 Ų | 152 | 62.6 Ų | 62.6 | 71% | 0.71 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 37.3 | 179.9 | -60.7 | -177.5 | 13 | 0 | 0 | 115.1 | S158 | Q156-S158 VanDerWaalsContact C-N 3.29Å; Q156-S158 PolarHBondContact O-N 3.44Å |
| 157 | G | 54.9 | Low | 73.9 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 76% | 0.763 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | 1.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E155 | E155-G157 PolarHBondContact O-N 2.94Å; E155-G157 VanDerWaalsContact O-N 3.08Å |
| 158 | S | 54.3 | Low | 74.4 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.7 | 170.9 | -63 | 0 | 0 | 0 | 0 | 110.7 | V154 E155 Q156 | V154-S158 WeakPolarHBondContact CA-O 3.47Å; E155-S158 PolarHBondContact N-O 2.78Å; E155-S158 PolarHBondContact O-N 2.82Å; Q156-S158 VanDerWaalsContact C-N 3.29Å; Q156-S158 PolarHBondContact O-N 3.44Å |
| 159 | T | 69.4 | Low | 74.7 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 61% | 0.613 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122 | 176.8 | -54.6 | 0 | 0 | 0 | 0 | 110 | V154 | V154-T159 HydrophobicContact CG2-CG2 4.28Å |
| 160 | Y | 71.3 | Confident | 75.3 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 16% | 0.161 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 116.1 | 175.8 | -60.3 | -83.5 | 0 | 0 | 0 | 108.9 | N152 H153 E155 C163 V201 L225 | N152-Y160 CarbonylContact C-O 3.59Å; N152-Y160 VanDerWaalsContact CA-O 3.3Å; N152-Y160 WeakPolarHBondContact CA-O 3.43Å; H153-Y160 PolarHBondContact N-O 2.93Å; H153-Y160 PolarHBondContact O-N 3.4Å; E155-Y160 HydrophobicContact CB-CD2 4.37Å; E155-Y160 HydrophobicContact CB-CE2 4Å; Y160-C163 PolarHBondContact O-SG 3.17Å; Y160-V201 HydrophobicContact CD1-CG1 3.58Å; Y160-V201 HydrophobicContact CE1-CG1 4.16Å; Y160-V201 VanDerWaalsContact CE1-O 3.3Å; Y160-V201 WeakPolarHBondContact CE1-O 3.47Å; Y160-V201 HydrophobicContact CG-CG1 4.45Å; Y160-L225 HydrophobicContact CD2-CD1 3.8Å; Y160-L225 HydrophobicContact CG-CD1 4.02Å |
| 161 | S | 69.5 | Low | 75.3 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 53% | 0.531 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 150.2 | -177.9 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | N152 | N152-S161 WeakPolarHBondContact OD1-CA 3.14Å; N152-S161 WeakPolarHBondContact OD1-CB 3.44Å |
| 162 | N | 76 | Confident | 76.1 | Confident | 102 Ų | 102 | 51 Ų | 51 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.4 | 44.1 | 179.9 | -55.4 | -38.8 | 0 | 0 | 0 | 113.1 | L150 S151 | L150-N162 WeakPolarHBondContact CD2-O 3.43Å; S151-N162 PolarHBondContact O-N 2.95Å |
| 163 | C | 81.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 172.9 | 178.8 | 63 | 0 | 0 | 0 | 0 | 111.5 | S151 H153 Y160 Y226 | S151-C163 PolarHBondContact N-O 2.95Å; S151-C163 PolarHBondContact O-N 3.21Å; S151-C163 VanDerWaalsContact O-N 3.17Å; H153-C163 VanDerWaalsContact CD2-SG 3.5Å; Y160-C163 PolarHBondContact O-SG 3.17Å; C163-Y226 WeakPolarHBondContact CA-O 3.42Å; C163-Y226 VanDerWaalsContact CB-O 3.24Å; C163-Y226 WeakPolarHBondContact CB-O 3.31Å |
| 164 | F | 87.8 | Confident | 76.8 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.2 | 176.3 | 43.1 | -101.9 | 0 | 0 | 0 | 110.3 | I148 L150 V169 L198 Y226 F228 | I148-F164 HydrophobicContact CG2-CB 3.73Å; I148-F164 HydrophobicContact CG2-CD1 3.61Å; I148-F164 HydrophobicContact CG2-CD2 4.35Å; I148-F164 HydrophobicContact CG2-CE1 4.29Å; I148-F164 HydrophobicContact CG2-CG 3.64Å; L150-F164 HydrophobicContact CD2-CD1 3.64Å; L150-F164 HydrophobicContact CD2-CE1 3.9Å; F164-V169 HydrophobicContact CD2-CG2 3.29Å; F164-V169 HydrophobicContact CE2-CG2 3.33Å; F164-V169 HydrophobicContact CG-CG2 4.4Å; F164-V169 HydrophobicContact CZ-CG2 4.47Å; F164-L198 HydrophobicContact CE2-CD2 4.14Å; F164-L198 HydrophobicContact CZ-CD2 3.67Å; F164-Y226 PolarHBondContact N-O 3.29Å; F164-Y226 PolarHBondContact O-N 3.28Å; F164-F228 HydrophobicContact CE1-CD1 4.39Å; F164-F228 AromaticContact CE1-CD2 3.96Å; F164-F228 HydrophobicContact CE1-CD2 3.96Å; F164-F228 HydrophobicContact CE1-CE1 4.14Å; F164-F228 AromaticContact CE1-CE2 3.69Å; F164-F228 HydrophobicContact CE1-CE2 3.69Å; F164-F228 HydrophobicContact CE1-CG 4.31Å; F164-F228 AromaticContact CE1-CZ 3.78Å; F164-F228 HydrophobicContact CE1-CZ 3.78Å; F164-F228 HydrophobicContact CZ-CD1 4.29Å; F164-F228 HydrophobicContact CZ-CE1 4.1Å; F164-F228 HydrophobicContact CZ-CE2 4.44Å; F164-F228 HydrophobicContact CZ-CZ 4.18Å |
| 165 | S | 90 | Very high | 77.2 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 156.6 | 176.4 | 67.4 | 0 | 0 | 0 | 0 | 112 | S167 A168 V169 S222 A224 | S165-S167 VanDerWaalsContact C-N 3.25Å; S165-S167 PolarHBondContact O-N 3.36Å; S165-S167 PolarHBondContact OG-OG 3.34Å; S165-A168 WeakPolarHBondContact O-CB 3.45Å; S165-A168 PolarHBondContact O-N 3.09Å; S165-A168 VanDerWaalsContact O-N 3.09Å; S165-A168 WeakPolarHBondContact OG-CB 3.44Å; S165-A168 PolarHBondContact OG-N 3.47Å; S165-V169 PolarHBondContact O-N 3.39Å; S165-S222 WeakPolarHBondContact CB-O 3.11Å; S165-A224 CarbonylContact C-O 3.56Å; S165-A224 WeakPolarHBondContact CA-O 3.22Å |
| 166 | G | 86.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A168 V169 V170 M219 D221 A224 | G166-A168 VanDerWaalsContact C-N 3.31Å; G166-A168 PolarHBondContact O-N 3.31Å; G166-V169 PolarHBondContact O-N 3.11Å; G166-V170 PolarHBondContact O-N 2.66Å; G166-V170 VanDerWaalsContact O-N 3.14Å; G166-M219 WeakPolarHBondContact CA-O 3.16Å; G166-D221 PolarHBondContact N-O 2.88Å; G166-A224 PolarHBondContact N-O 3.42Å |
| 167 | S | 90.1 | Very high | 78.1 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 173.7 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | S165 V169 V170 D171 D220 D221 | S165-S167 VanDerWaalsContact C-N 3.25Å; S165-S167 PolarHBondContact O-N 3.36Å; S165-S167 PolarHBondContact OG-OG 3.34Å; S167-V169 VanDerWaalsContact C-N 3.33Å; S167-V169 PolarHBondContact O-N 2.94Å; S167-V170 PolarHBondContact O-N 3.03Å; S167-D171 WeakPolarHBondContact O-CB 3.46Å; S167-D171 PolarHBondContact O-N 3.11Å; S167-D220 VanDerWaalsContact CA-OD1 3.29Å; S167-D220 WeakPolarHBondContact CA-OD1 3.39Å; S167-D221 PolarHBondContact N-O 3.25Å |
| 168 | A | 86.5 | Confident | 78.9 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S165 G166 W172 | S165-A168 WeakPolarHBondContact O-CB 3.45Å; S165-A168 PolarHBondContact O-N 3.09Å; S165-A168 VanDerWaalsContact O-N 3.09Å; S165-A168 WeakPolarHBondContact OG-CB 3.44Å; S165-A168 PolarHBondContact OG-N 3.47Å; G166-A168 VanDerWaalsContact C-N 3.31Å; G166-A168 PolarHBondContact O-N 3.31Å; A168-W172 WeakPolarHBondContact O-CB 3.43Å; A168-W172 PolarHBondContact O-N 3.38Å |
| 169 | V | 87.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | M141 I148 F164 S165 G166 S167 W172 L173 A189 F218 | M141-V169 HydrophobicContact CE-CG1 4.08Å; I148-V169 HydrophobicContact CD1-CB 4.21Å; I148-V169 HydrophobicContact CD1-CG1 4.29Å; I148-V169 HydrophobicContact CD1-CG2 3.93Å; F164-V169 HydrophobicContact CD2-CG2 3.29Å; F164-V169 HydrophobicContact CE2-CG2 3.33Å; F164-V169 HydrophobicContact CG-CG2 4.4Å; F164-V169 HydrophobicContact CZ-CG2 4.47Å; S165-V169 PolarHBondContact O-N 3.39Å; G166-V169 PolarHBondContact O-N 3.11Å; S167-V169 VanDerWaalsContact C-N 3.33Å; S167-V169 PolarHBondContact O-N 2.94Å; V169-W172 PolarHBondContact O-N 3.07Å; V169-L173 HydrophobicContact CG1-CD1 4.05Å; V169-L173 HydrophobicContact CG1-CG 4.45Å; V169-L173 VanDerWaalsContact O-CG 3.29Å; V169-L173 WeakPolarHBondContact O-CG 3.44Å; V169-L173 PolarHBondContact O-N 3.04Å; V169-A189 HydrophobicContact CG1-CB 4.05Å; V169-F218 HydrophobicContact CB-CZ 3.79Å; V169-F218 HydrophobicContact CG1-CZ 4.02Å; V169-F218 HydrophobicContact CG2-CE2 4.47Å; V169-F218 HydrophobicContact CG2-CZ 4.03Å |
| 170 | V | 87.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -46.1 | -179.9 | 172 | 0 | 0 | 0 | 0 | 111.3 | G166 S167 W172 L173 V174 R182 A185 M186 F218 D220 | G166-V170 PolarHBondContact O-N 2.66Å; G166-V170 VanDerWaalsContact O-N 3.14Å; S167-V170 PolarHBondContact O-N 3.03Å; V170-W172 VanDerWaalsContact C-N 3.27Å; V170-W172 PolarHBondContact O-N 3.39Å; V170-L173 PolarHBondContact O-N 3.48Å; V170-V174 WeakPolarHBondContact O-CG2 3.31Å; V170-V174 PolarHBondContact O-N 3.38Å; V170-V174 VanDerWaalsContact O-N 3.11Å; V170-R182 HydrophobicContact CG1-CB 4.03Å; V170-R182 HydrophobicContact CG1-CG 4.13Å; V170-A185 HydrophobicContact CB-CB 4.48Å; V170-A185 HydrophobicContact CG1-CB 3.91Å; V170-M186 HydrophobicContact CG2-CG 4.04Å; V170-F218 HydrophobicContact CG2-CE1 3.98Å; V170-D220 HydrophobicContact CG2-CB 3.92Å |
| 171 | D | 80 | Confident | 80 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 176.7 | -69 | -15 | 0 | 0 | 0 | 111 | S167 F175 R182 | S167-D171 WeakPolarHBondContact O-CB 3.46Å; S167-D171 PolarHBondContact O-N 3.11Å; D171-F175 VanDerWaalsContact O-CB 3.23Å; D171-F175 WeakPolarHBondContact O-CB 3.47Å; D171-F175 PolarHBondContact O-N 3Å; D171-R182 IonicContact OD1-CZ 3.79Å; D171-R182 IonicContact OD1-NH1 2.85Å; D171-R182 PolarHBondContact OD1-NH1 3.32Å; D171-R182 IonicContact OD1-NH2 2.75Å; D171-R182 PolarHBondContact OD1-NH2 3.15Å; D171-R182 VanDerWaalsContact OD1-NH2 3.11Å |
| 172 | W | 88.1 | Confident | 80.5 | Confident | 21 Ų | 21 | 52 Ų | 52 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 178 | -178.6 | 86.3 | 0 | 0 | 0 | 112.7 | V137 S140 M141 S146 I148 A168 V169 V170 V174 F175 M176 L178 | V137-W172 HydrophobicContact CG1-CZ3 4.17Å; S140-W172 VanDerWaalsContact C-CZ2 3.46Å; S140-W172 VanDerWaalsContact O-CZ2 3.32Å; S140-W172 WeakPolarHBondContact O-CZ2 3.32Å; M141-W172 HydrophobicContact CB-CH2 4.2Å; M141-W172 HydrophobicContact CB-CZ3 4.4Å; M141-W172 HydrophobicContact CG-CD2 4.48Å; M141-W172 HydrophobicContact CG-CE3 3.82Å; M141-W172 HydrophobicContact CG-CH2 3.43Å; M141-W172 VanDerWaalsContact CG-CH2 3.43Å; M141-W172 HydrophobicContact CG-CZ2 4.13Å; M141-W172 HydrophobicContact CG-CZ3 3.24Å; M141-W172 HydrophobicContact SD-CZ3 4.31Å; S146-W172 PolarHBondContact O-NE1 3.02Å; I148-W172 HydrophobicContact CD1-CB 4.23Å; I148-W172 HydrophobicContact CD1-CD2 4.13Å; I148-W172 HydrophobicContact CD1-CE3 4.17Å; I148-W172 HydrophobicContact CD1-CG 4.15Å; I148-W172 HydrophobicContact CG1-CB 3.97Å; I148-W172 HydrophobicContact CG1-CD2 3.68Å; I148-W172 HydrophobicContact CG1-CE3 4.18Å; I148-W172 HydrophobicContact CG1-CG 3.54Å; A168-W172 WeakPolarHBondContact O-CB 3.43Å; A168-W172 PolarHBondContact O-N 3.38Å; V169-W172 PolarHBondContact O-N 3.07Å; V170-W172 VanDerWaalsContact C-N 3.27Å; V170-W172 PolarHBondContact O-N 3.39Å; W172-V174 VanDerWaalsContact C-N 3.31Å; W172-V174 PolarHBondContact O-N 3.17Å; W172-F175 PolarHBondContact O-N 3.45Å; W172-M176 HydrophobicContact CD2-CG 4.01Å; W172-M176 HydrophobicContact CG-CG 4.46Å; W172-M176 HydrophobicContact CH2-CG 4.23Å; W172-M176 HydrophobicContact CZ2-CE 4.49Å; W172-M176 HydrophobicContact CZ2-CG 3.66Å; W172-M176 WeakPolarHBondContact O-CB 3.33Å; W172-M176 WeakPolarHBondContact O-CG 3.47Å; W172-M176 PolarHBondContact O-N 3Å; W172-L178 HydrophobicContact CH2-CD1 3.89Å; W172-L178 HydrophobicContact CZ3-CD1 3.8Å |
| 173 | L | 81 | Confident | 80.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 178.9 | -73.9 | 172.2 | 0 | 0 | 0 | 112.4 | V137 V169 V170 Q177 L178 S179 A185 L188 A189 | V137-L173 HydrophobicContact CG1-CD2 3.73Å; V169-L173 HydrophobicContact CG1-CD1 4.05Å; V169-L173 HydrophobicContact CG1-CG 4.45Å; V169-L173 VanDerWaalsContact O-CG 3.29Å; V169-L173 WeakPolarHBondContact O-CG 3.44Å; V169-L173 PolarHBondContact O-N 3.04Å; V170-L173 PolarHBondContact O-N 3.48Å; L173-Q177 PolarHBondContact O-N 2.84Å; L173-L178 HydrophobicContact CD2-CB 4.24Å; L173-L178 HydrophobicContact CD2-CD1 3.98Å; L173-L178 PolarHBondContact O-N 3.19Å; L173-S179 PolarHBondContact O-N 3.01Å; L173-A185 HydrophobicContact CB-CB 3.88Å; L173-A185 HydrophobicContact CD1-CB 4.13Å; L173-A185 WeakPolarHBondContact CD1-O 3.46Å; L173-L188 HydrophobicContact CD1-CB 4.38Å; L173-L188 HydrophobicContact CD1-CD2 4.3Å; L173-L188 HydrophobicContact CD1-CG 4.35Å; L173-L188 HydrophobicContact CD2-CD2 3.79Å; L173-L188 HydrophobicContact CD2-CG 4.43Å; L173-A189 HydrophobicContact CD1-CB 4.18Å |
| 174 | V | 79 | Confident | 80.3 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.9 | -43.4 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | V170 W172 M176 Q177 A185 | V170-V174 WeakPolarHBondContact O-CG2 3.31Å; V170-V174 PolarHBondContact O-N 3.38Å; V170-V174 VanDerWaalsContact O-N 3.11Å; W172-V174 VanDerWaalsContact C-N 3.31Å; W172-V174 PolarHBondContact O-N 3.17Å; V174-M176 VanDerWaalsContact C-N 3.33Å; V174-M176 PolarHBondContact O-N 2.81Å; V174-Q177 PolarHBondContact O-N 3.41Å; V174-A185 HydrophobicContact CG2-CB 4.04Å |
| 175 | F | 75 | Confident | 79.9 | Confident | 158 Ų | 158 | 53.1 Ų | 53.1 | 69% | 0.693 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 178.7 | 177.1 | -99.5 | 0 | 0 | 0 | 112.5 | D171 W172 Q177 | D171-F175 VanDerWaalsContact O-CB 3.23Å; D171-F175 WeakPolarHBondContact O-CB 3.47Å; D171-F175 PolarHBondContact O-N 3Å; W172-F175 PolarHBondContact O-N 3.45Å; F175-Q177 PolarHBondContact O-N 2.98Å |
| 176 | M | 73.6 | Confident | 79.7 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 30% | 0.296 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 2.9 | 176.6 | -65.6 | -59.9 | -71.4 | 0 | 0 | 113.6 | W172 V174 L178 | W172-M176 HydrophobicContact CD2-CG 4.01Å; W172-M176 HydrophobicContact CG-CG 4.46Å; W172-M176 HydrophobicContact CH2-CG 4.23Å; W172-M176 HydrophobicContact CZ2-CE 4.49Å; W172-M176 HydrophobicContact CZ2-CG 3.66Å; W172-M176 WeakPolarHBondContact O-CB 3.33Å; W172-M176 WeakPolarHBondContact O-CG 3.47Å; W172-M176 PolarHBondContact O-N 3Å; V174-M176 VanDerWaalsContact C-N 3.33Å; V174-M176 PolarHBondContact O-N 2.81Å; M176-L178 HydrophobicContact CB-CD1 4.05Å; M176-L178 HydrophobicContact CB-CG 3.98Å; M176-L178 PolarHBondContact O-N 3.14Å |
| 177 | Q | 70.7 | Confident | 79.4 | Confident | 165 Ų | 165 | 60.6 Ų | 60.6 | 77% | 0.771 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 26.6 | -177 | -55 | -175.9 | 5.1 | 0 | 0 | 113.7 | L173 V174 F175 S179 | L173-Q177 PolarHBondContact O-N 2.84Å; V174-Q177 PolarHBondContact O-N 3.41Å; F175-Q177 PolarHBondContact O-N 2.98Å; Q177-S179 VanDerWaalsContact C-N 3.27Å |
| 178 | L | 71.1 | Confident | 78.7 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -79.9 | -15.3 | 173.8 | -63.9 | 174 | 0 | 0 | 0 | 111.6 | V137 W172 L173 M176 L188 | V137-L178 HydrophobicContact CG1-CD1 4.03Å; V137-L178 HydrophobicContact CG2-CD1 4.19Å; W172-L178 HydrophobicContact CH2-CD1 3.89Å; W172-L178 HydrophobicContact CZ3-CD1 3.8Å; L173-L178 HydrophobicContact CD2-CB 4.24Å; L173-L178 HydrophobicContact CD2-CD1 3.98Å; L173-L178 PolarHBondContact O-N 3.19Å; M176-L178 HydrophobicContact CB-CD1 4.05Å; M176-L178 HydrophobicContact CB-CG 3.98Å; M176-L178 PolarHBondContact O-N 3.14Å; L178-L188 HydrophobicContact CB-CD2 4.4Å |
| 179 | S | 74.9 | Confident | 78.6 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | trans | -147.5 | 142.6 | 172.7 | -60.6 | 0 | 0 | 0 | 0 | 109.1 | L173 Q177 A185 | L173-S179 PolarHBondContact O-N 3.01Å; Q177-S179 VanDerWaalsContact C-N 3.27Å; S179-A185 WeakPolarHBondContact OG-CA 3.46Å | ||
| 180 | L | 66.4 | Low | 78.3 | Confident | 145 Ų | 145 | 59.1 Ų | 59.1 | 76% | 0.759 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -91.5 | -19.2 | -175.9 | -62.5 | 176.3 | 0 | 0 | 0 | 112.2 | E184 | L180-E184 WeakPolarHBondContact CB-OE2 3.45Å; L180-E184 PolarHBondContact N-OE2 3.41Å |
| 181 | T | 78.1 | Confident | 77.8 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -131.5 | 158.1 | 177.5 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | G183 E184 A185 | T181-G183 PolarHBondContact O-N 3.37Å; T181-E184 PolarHBondContact N-OE2 2.59Å; T181-E184 PolarHBondContact O-N 2.83Å; T181-E184 WeakPolarHBondContact OG1-CG 3.44Å; T181-E184 PolarHBondContact OG1-N 2.88Å; T181-A185 PolarHBondContact O-N 3.19Å |
| 182 | R | 80.4 | Confident | 77.7 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 40% | 0.4 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -34.3 | 174.7 | -62.1 | -171.5 | 76.7 | 82.8 | -0.5 | 112.4 | V170 D171 A185 M186 D220 | V170-R182 HydrophobicContact CG1-CB 4.03Å; V170-R182 HydrophobicContact CG1-CG 4.13Å; D171-R182 IonicContact OD1-CZ 3.79Å; D171-R182 IonicContact OD1-NH1 2.85Å; D171-R182 PolarHBondContact OD1-NH1 3.32Å; D171-R182 IonicContact OD1-NH2 2.75Å; D171-R182 PolarHBondContact OD1-NH2 3.15Å; D171-R182 VanDerWaalsContact OD1-NH2 3.11Å; R182-A185 PolarHBondContact O-N 3.38Å; R182-M186 WeakPolarHBondContact O-CB 3.39Å; R182-M186 WeakPolarHBondContact O-CG 3.39Å; R182-M186 PolarHBondContact O-N 3.25Å; R182-D220 IonicContact CZ-OD1 3.87Å; R182-D220 IonicContact CZ-OD2 3.57Å; R182-D220 IonicContact NE-OD2 2.8Å; R182-D220 PolarHBondContact NE-OD2 2.89Å; R182-D220 IonicContact NH2-OD1 3.5Å; R182-D220 PolarHBondContact NH2-OD1 3.01Å; R182-D220 IonicContact NH2-OD2 2.64Å; R182-D220 PolarHBondContact NH2-OD2 3.21Å |
| 183 | G | 77.4 | Confident | 77.3 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T181 T187 | T181-G183 PolarHBondContact O-N 3.37Å; G183-T187 PolarHBondContact O-N 3.41Å; G183-T187 VanDerWaalsContact O-N 3.1Å; G183-T187 PolarHBondContact O-OG1 2.8Å |
| 184 | E | 75.5 | Confident | 77 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 41% | 0.407 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 171.7 | -72.6 | 170.9 | 174.9 | 0 | 0 | 111.5 | L180 T181 M186 T187 L188 | L180-E184 WeakPolarHBondContact CB-OE2 3.45Å; L180-E184 PolarHBondContact N-OE2 3.41Å; T181-E184 PolarHBondContact N-OE2 2.59Å; T181-E184 PolarHBondContact O-N 2.83Å; T181-E184 WeakPolarHBondContact OG1-CG 3.44Å; T181-E184 PolarHBondContact OG1-N 2.88Å; E184-M186 VanDerWaalsContact C-N 3.35Å; E184-M186 PolarHBondContact O-N 3.08Å; E184-T187 WeakPolarHBondContact O-CB 3.36Å; E184-T187 PolarHBondContact O-N 2.89Å; E184-T187 VanDerWaalsContact O-N 3.14Å; E184-L188 PolarHBondContact O-N 2.94Å |
| 185 | A | 77.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V170 L173 V174 S179 T181 R182 T187 L188 A189 | V170-A185 HydrophobicContact CB-CB 4.48Å; V170-A185 HydrophobicContact CG1-CB 3.91Å; L173-A185 HydrophobicContact CB-CB 3.88Å; L173-A185 HydrophobicContact CD1-CB 4.13Å; L173-A185 WeakPolarHBondContact CD1-O 3.46Å; V174-A185 HydrophobicContact CG2-CB 4.04Å; S179-A185 WeakPolarHBondContact OG-CA 3.46Å; T181-A185 PolarHBondContact O-N 3.19Å; R182-A185 PolarHBondContact O-N 3.38Å; A185-T187 VanDerWaalsContact C-N 3.34Å; A185-L188 PolarHBondContact O-N 2.64Å; A185-A189 VanDerWaalsContact O-CB 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.29Å; A185-A189 PolarHBondContact O-N 2.86Å |
| 186 | M | 86.5 | Confident | 75.9 | Confident | 71 Ų | 71 | 59 Ų | 59 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 172.4 | -78.2 | 170 | 38.1 | 0 | 0 | 112.7 | V170 R182 E184 A189 S190 D220 | V170-M186 HydrophobicContact CG2-CG 4.04Å; R182-M186 WeakPolarHBondContact O-CB 3.39Å; R182-M186 WeakPolarHBondContact O-CG 3.39Å; R182-M186 PolarHBondContact O-N 3.25Å; E184-M186 VanDerWaalsContact C-N 3.35Å; E184-M186 PolarHBondContact O-N 3.08Å; M186-A189 PolarHBondContact O-N 2.97Å; M186-S190 WeakPolarHBondContact O-CB 3.33Å; M186-S190 PolarHBondContact O-N 2.89Å; M186-S190 PolarHBondContact O-OG 2.84Å; M186-D220 HydrophobicContact CG-CB 3.79Å; M186-D220 HydrophobicContact SD-CB 3.74Å |
| 187 | T | 80.3 | Confident | 76 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 61% | 0.607 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | G183 E184 A185 S190 A191 | G183-T187 PolarHBondContact O-N 3.41Å; G183-T187 VanDerWaalsContact O-N 3.1Å; G183-T187 PolarHBondContact O-OG1 2.8Å; E184-T187 WeakPolarHBondContact O-CB 3.36Å; E184-T187 PolarHBondContact O-N 2.89Å; E184-T187 VanDerWaalsContact O-N 3.14Å; A185-T187 VanDerWaalsContact C-N 3.34Å; T187-S190 PolarHBondContact O-N 3.49Å; T187-A191 PolarHBondContact O-N 2.8Å; T187-A191 VanDerWaalsContact O-N 3.07Å |
| 188 | L | 76.3 | Confident | 76.5 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 176.2 | -177.7 | 57.3 | 0 | 0 | 0 | 112.3 | I132 L134 V137 L173 L178 E184 A185 A191 L192 | I132-L188 HydrophobicContact CD1-CD2 4.48Å; I132-L188 HydrophobicContact CG2-CD1 3.89Å; I132-L188 HydrophobicContact CG2-CD2 4.25Å; L134-L188 HydrophobicContact CD2-CD1 3.27Å; V137-L188 HydrophobicContact CG2-CD2 4.48Å; L173-L188 HydrophobicContact CD1-CB 4.38Å; L173-L188 HydrophobicContact CD1-CD2 4.3Å; L173-L188 HydrophobicContact CD1-CG 4.35Å; L173-L188 HydrophobicContact CD2-CD2 3.79Å; L173-L188 HydrophobicContact CD2-CG 4.43Å; L178-L188 HydrophobicContact CB-CD2 4.4Å; E184-L188 PolarHBondContact O-N 2.94Å; A185-L188 PolarHBondContact O-N 2.64Å; L188-A191 PolarHBondContact O-N 2.97Å; L188-L192 WeakPolarHBondContact O-CG 3.43Å; L188-L192 PolarHBondContact O-N 2.99Å |
| 189 | A | 82.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V169 L173 A185 M186 L192 L193 F218 | V169-A189 HydrophobicContact CG1-CB 4.05Å; L173-A189 HydrophobicContact CD1-CB 4.18Å; A185-A189 VanDerWaalsContact O-CB 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.29Å; A185-A189 PolarHBondContact O-N 2.86Å; M186-A189 PolarHBondContact O-N 2.97Å; A189-L192 PolarHBondContact O-N 2.82Å; A189-L193 PolarHBondContact O-N 3.04Å; A189-L193 VanDerWaalsContact O-N 3.07Å; A189-F218 HydrophobicContact CB-CD1 3.52Å; A189-F218 HydrophobicContact CB-CD2 3.94Å; A189-F218 HydrophobicContact CB-CE1 3.54Å; A189-F218 HydrophobicContact CB-CE2 3.95Å; A189-F218 HydrophobicContact CB-CG 3.73Å; A189-F218 HydrophobicContact CB-CZ 3.76Å |
| 190 | S | 81.8 | Confident | 77.5 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 171.5 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | M186 T187 L192 L193 E194 F218 | M186-S190 WeakPolarHBondContact O-CB 3.33Å; M186-S190 PolarHBondContact O-N 2.89Å; M186-S190 PolarHBondContact O-OG 2.84Å; T187-S190 PolarHBondContact O-N 3.49Å; S190-L192 VanDerWaalsContact C-N 3.33Å; S190-L192 PolarHBondContact O-N 3.08Å; S190-L193 WeakPolarHBondContact O-CB 3.45Å; S190-L193 PolarHBondContact O-N 2.9Å; S190-L193 VanDerWaalsContact O-N 3.13Å; S190-E194 WeakPolarHBondContact O-CG 3.09Å; S190-E194 PolarHBondContact O-N 2.9Å; S190-F218 WeakPolarHBondContact OG-CB 3.5Å |
| 191 | A | 77.5 | Confident | 78.2 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L134 T187 L188 L193 E194 E195 | L134-A191 HydrophobicContact CD1-CB 4.18Å; L134-A191 HydrophobicContact CD2-CB 4.38Å; T187-A191 PolarHBondContact O-N 2.8Å; T187-A191 VanDerWaalsContact O-N 3.07Å; L188-A191 PolarHBondContact O-N 2.97Å; A191-L193 VanDerWaalsContact C-N 3.29Å; A191-L193 PolarHBondContact O-N 2.8Å; A191-E194 PolarHBondContact O-N 2.89Å; A191-E195 WeakPolarHBondContact O-CB 3.34Å; A191-E195 WeakPolarHBondContact O-CG 3.18Å; A191-E195 PolarHBondContact O-N 3.09Å |
| 192 | L | 77.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -33.4 | 174.4 | -69.8 | 170.9 | 0 | 0 | 0 | 112.8 | L134 V137 M141 L188 A189 S190 F197 L198 | L134-L192 HydrophobicContact CB-CD2 4.05Å; L134-L192 HydrophobicContact CD2-CD2 4.14Å; L134-L192 HydrophobicContact CD2-CG 4.43Å; V137-L192 HydrophobicContact CG1-CD1 4.05Å; M141-L192 HydrophobicContact CE-CD1 4.32Å; M141-L192 HydrophobicContact SD-CD1 3.74Å; L188-L192 WeakPolarHBondContact O-CG 3.43Å; L188-L192 PolarHBondContact O-N 2.99Å; A189-L192 PolarHBondContact O-N 2.82Å; S190-L192 VanDerWaalsContact C-N 3.33Å; S190-L192 PolarHBondContact O-N 3.08Å; L192-F197 HydrophobicContact CD2-CB 4.4Å; L192-F197 HydrophobicContact CD2-CD2 3.85Å; L192-F197 HydrophobicContact CD2-CG 4.48Å; L192-F197 WeakPolarHBondContact O-CB 3.19Å; L192-F197 PolarHBondContact O-N 3.17Å; L192-L198 HydrophobicContact CB-CD1 3.91Å; L192-L198 HydrophobicContact CB-CG 4.05Å; L192-L198 HydrophobicContact CD1-CD1 4.45Å; L192-L198 PolarHBondContact O-N 3.04Å |
| 193 | L | 80.5 | Confident | 77.8 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.5 | -44.4 | 175.9 | -172.2 | 66.8 | 0 | 0 | 0 | 111.6 | A189 S190 A191 G196 L198 T200 Q217 F218 Y226 | A189-L193 PolarHBondContact O-N 3.04Å; A189-L193 VanDerWaalsContact O-N 3.07Å; S190-L193 WeakPolarHBondContact O-CB 3.45Å; S190-L193 PolarHBondContact O-N 2.9Å; S190-L193 VanDerWaalsContact O-N 3.13Å; A191-L193 VanDerWaalsContact C-N 3.29Å; A191-L193 PolarHBondContact O-N 2.8Å; L193-G196 PolarHBondContact O-N 2.84Å; L193-G196 VanDerWaalsContact O-N 3.11Å; L193-L198 HydrophobicContact CD1-CB 3.97Å; L193-L198 WeakPolarHBondContact CD1-O 3.31Å; L193-T200 HydrophobicContact CD1-CG2 4.11Å; L193-T200 HydrophobicContact CD2-CG2 4.19Å; L193-Q217 HydrophobicContact CD2-CB 4.22Å; L193-F218 HydrophobicContact CD2-CB 4.3Å; L193-F218 HydrophobicContact CD2-CD2 4.49Å; L193-Y226 HydrophobicContact CD1-CD1 4.3Å; L193-Y226 HydrophobicContact CD2-CE1 4.25Å |
| 194 | E | 73.8 | Confident | 77.9 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 178.1 | -73.7 | -173 | 148.1 | 0 | 0 | 112.8 | S190 A191 G196 Q217 | S190-E194 WeakPolarHBondContact O-CG 3.09Å; S190-E194 PolarHBondContact O-N 2.9Å; A191-E194 PolarHBondContact O-N 2.89Å; E194-G196 PolarHBondContact O-N 3.12Å; E194-Q217 PolarHBondContact OE1-NE2 3.22Å |
| 195 | E | 66.1 | Low | 78.2 | Confident | 130 Ų | 130 | 45.2 Ų | 45.2 | 61% | 0.607 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | 0.7 | 176.8 | -65.9 | -65.1 | 145 | 0 | 0 | 112.9 | L134 A191 F197 | L134-E195 HydrophobicContact CD1-CG 4.01Å; A191-E195 WeakPolarHBondContact O-CB 3.34Å; A191-E195 WeakPolarHBondContact O-CG 3.18Å; A191-E195 PolarHBondContact O-N 3.09Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 HydrophobicContact CB-CD2 3.67Å; E195-F197 HydrophobicContact CB-CE2 3.5Å; E195-F197 VanDerWaalsContact CB-CE2 3.5Å; E195-F197 HydrophobicContact CB-CZ 4.34Å; E195-F197 HydrophobicContact CG-CE2 4.32Å; E195-F197 PolarHBondContact O-N 2.83Å |
| 196 | G | 65.7 | Low | 78.3 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 14.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | L193 E194 S229 | L193-G196 PolarHBondContact O-N 2.84Å; L193-G196 VanDerWaalsContact O-N 3.11Å; E194-G196 PolarHBondContact O-N 3.12Å; G196-S229 WeakPolarHBondContact O-CB 3.46Å; G196-S229 PolarHBondContact O-OG 3.01Å |
| 197 | F | 74.8 | Confident | 77.8 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -73.7 | -32.8 | 174.6 | -59.9 | -57.6 | 0 | 0 | 0 | 112.1 | L134 L138 L192 E195 S229 | L134-F197 HydrophobicContact CB-CE2 4.1Å; L138-F197 HydrophobicContact CD1-CB 4.19Å; L138-F197 HydrophobicContact CD2-CB 4.02Å; L138-F197 HydrophobicContact CD2-CD1 3.54Å; L138-F197 HydrophobicContact CD2-CE1 4.24Å; L138-F197 HydrophobicContact CD2-CG 3.95Å; L192-F197 HydrophobicContact CD2-CB 4.4Å; L192-F197 HydrophobicContact CD2-CD2 3.85Å; L192-F197 HydrophobicContact CD2-CG 4.48Å; L192-F197 WeakPolarHBondContact O-CB 3.19Å; L192-F197 PolarHBondContact O-N 3.17Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 HydrophobicContact CB-CD2 3.67Å; E195-F197 HydrophobicContact CB-CE2 3.5Å; E195-F197 VanDerWaalsContact CB-CE2 3.5Å; E195-F197 HydrophobicContact CB-CZ 4.34Å; E195-F197 HydrophobicContact CG-CE2 4.32Å; E195-F197 PolarHBondContact O-N 2.83Å; F197-S229 PolarHBondContact O-N 3.14Å; F197-S229 VanDerWaalsContact O-N 3.16Å |
| 198 | L | 81.5 | Confident | 77.5 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 156 | 171.8 | -58.3 | -178.1 | 0 | 0 | 0 | 110.4 | M141 F164 L192 L193 F218 S227 F228 S229 | M141-L198 HydrophobicContact CE-CD1 4.33Å; M141-L198 HydrophobicContact CE-CD2 4.06Å; F164-L198 HydrophobicContact CE2-CD2 4.14Å; F164-L198 HydrophobicContact CZ-CD2 3.67Å; L192-L198 HydrophobicContact CB-CD1 3.91Å; L192-L198 HydrophobicContact CB-CG 4.05Å; L192-L198 HydrophobicContact CD1-CD1 4.45Å; L192-L198 PolarHBondContact O-N 3.04Å; L193-L198 HydrophobicContact CD1-CB 3.97Å; L193-L198 WeakPolarHBondContact CD1-O 3.31Å; L198-F218 HydrophobicContact CD1-CE2 4.24Å; L198-S227 WeakPolarHBondContact CA-O 3.27Å; L198-F228 HydrophobicContact CD2-CD1 3.77Å; L198-F228 HydrophobicContact CD2-CE1 4.07Å; L198-S229 PolarHBondContact O-OG 3.4Å |
| 199 | Q | 84.3 | Confident | 77.4 | Confident | 86 Ų | 86 | 48.2 Ų | 48.2 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.5 | 170.5 | 61.5 | 177.8 | 1.5 | 0 | 0 | 110.9 | V201 Y226 S227 F228 | Q199-V201 HydrophobicContact CG-CG2 4.13Å; Q199-Y226 VanDerWaalsContact O-CA 3.28Å; Q199-Y226 WeakPolarHBondContact O-CA 3.38Å; Q199-S227 VanDerWaalsContact CG-OG 3.3Å; Q199-S227 WeakPolarHBondContact CG-OG 3.15Å; Q199-S227 PolarHBondContact N-O 3.33Å; Q199-S227 PolarHBondContact NE2-OG 3.41Å; Q199-S227 PolarHBondContact O-N 3.48Å; Q199-F228 PolarHBondContact NE2-O 3.43Å |
| 200 | T | 83.1 | Confident | 76.8 | Confident | 28 Ų | 28 | 58 Ų | 58 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 132.9 | 174 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | L193 S205 L209 Y226 | L193-T200 HydrophobicContact CD1-CG2 4.11Å; L193-T200 HydrophobicContact CD2-CG2 4.19Å; T200-S205 WeakPolarHBondContact CG2-O 3.35Å; T200-L209 HydrophobicContact CG2-CB 4.35Å; T200-L209 HydrophobicContact CG2-CD2 4.25Å; T200-Y226 HydrophobicContact CG2-CD1 4.08Å; T200-Y226 HydrophobicContact CG2-CE1 3.81Å |
| 201 | V | 80.5 | Confident | 76.1 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | trans | -126.8 | -38.5 | -174.9 | -178.9 | 0 | 0 | 0 | 0 | 112 | Y160 Q199 S205 L225 S227 | Y160-V201 HydrophobicContact CD1-CG1 3.58Å; Y160-V201 HydrophobicContact CE1-CG1 4.16Å; Y160-V201 VanDerWaalsContact CE1-O 3.3Å; Y160-V201 WeakPolarHBondContact CE1-O 3.47Å; Y160-V201 HydrophobicContact CG-CG1 4.45Å; Q199-V201 HydrophobicContact CG-CG2 4.13Å; V201-S205 PolarHBondContact N-OG 3.04Å; V201-L225 PolarHBondContact N-O 3.24Å; V201-S227 WeakPolarHBondContact CG2-OG 3.23Å | ||
| 202 | G | 75 | Confident | 75.2 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -79 | 156.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R204 S205 V206 L225 | G202-R204 VanDerWaalsContact C-N 3.27Å; G202-R204 PolarHBondContact O-N 2.92Å; G202-S205 PolarHBondContact N-OG 3.46Å; G202-S205 PolarHBondContact O-N 3.14Å; G202-S205 PolarHBondContact O-OG 2.98Å; G202-S205 VanDerWaalsContact O-OG 3.06Å; G202-V206 WeakPolarHBondContact O-CG2 3.46Å; G202-V206 PolarHBondContact O-N 3.41Å; G202-V206 VanDerWaalsContact O-N 3.07Å; G202-L225 PolarHBondContact N-O 2.96Å; G202-L225 VanDerWaalsContact N-O 3.16Å |
| 203 | Q | 75.8 | Confident | 74.2 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | -179.4 | -67.6 | -174.8 | 8.1 | 0 | 0 | 111.6 | V206 E207 | Q203-V206 PolarHBondContact O-N 2.87Å; Q203-E207 WeakPolarHBondContact O-CB 3.32Å; Q203-E207 PolarHBondContact O-N 3.25Å |
| 204 | R | 79.4 | Confident | 72.9 | Confident | 129 Ų | 129 | 72.5 Ų | 72.5 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 177.4 | -76.9 | -101.1 | 168.6 | 153.9 | -8.1 | 113.5 | G202 A208 A224 | G202-R204 VanDerWaalsContact C-N 3.27Å; G202-R204 PolarHBondContact O-N 2.92Å; R204-A208 PolarHBondContact O-N 2.91Å; R204-A208 VanDerWaalsContact O-N 3.11Å; R204-A224 HydrophobicContact CB-CB 4.49Å |
| 205 | S | 81.6 | Confident | 71.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.9 | -33.3 | -179.2 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | T200 V201 G202 L209 L225 | T200-S205 WeakPolarHBondContact CG2-O 3.35Å; V201-S205 PolarHBondContact N-OG 3.04Å; G202-S205 PolarHBondContact N-OG 3.46Å; G202-S205 PolarHBondContact O-N 3.14Å; G202-S205 PolarHBondContact O-OG 2.98Å; G202-S205 VanDerWaalsContact O-OG 3.06Å; S205-L209 PolarHBondContact O-N 3.48Å; S205-L225 WeakPolarHBondContact CB-O 3.45Å; S205-L225 PolarHBondContact OG-O 3.43Å |
| 206 | V | 79.3 | Confident | 71.6 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | G202 Q203 R210 | G202-V206 WeakPolarHBondContact O-CG2 3.46Å; G202-V206 PolarHBondContact O-N 3.41Å; G202-V206 VanDerWaalsContact O-N 3.07Å; Q203-V206 PolarHBondContact O-N 2.87Å; V206-R210 PolarHBondContact O-N 3.01Å |
| 207 | E | 75.8 | Confident | 72 | Confident | 124 Ų | 124 | 72 Ų | 72 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.1 | -45.3 | 176.3 | -172.9 | 168.8 | -164.4 | 0 | 0 | 111.2 | Q203 L209 R210 T211 | Q203-E207 WeakPolarHBondContact O-CB 3.32Å; Q203-E207 PolarHBondContact O-N 3.25Å; E207-L209 VanDerWaalsContact C-N 3.33Å; E207-L209 PolarHBondContact O-N 3.22Å; E207-R210 WeakPolarHBondContact O-CB 3.27Å; E207-R210 PolarHBondContact O-N 3.45Å; E207-T211 PolarHBondContact O-N 3.37Å; E207-T211 PolarHBondContact O-OG1 2.7Å |
| 208 | A | 74.9 | Confident | 72.5 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R204 R210 T211 A212 M219 | R204-A208 PolarHBondContact O-N 2.91Å; R204-A208 VanDerWaalsContact O-N 3.11Å; A208-R210 PolarHBondContact O-N 2.91Å; A208-T211 PolarHBondContact O-N 3.04Å; A208-T211 PolarHBondContact O-OG1 3.24Å; A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 3.42Å; A208-M219 HydrophobicContact CB-CG 3.71Å; A208-M219 HydrophobicContact CB-SD 3.4Å; A208-M219 WeakPolarHBondContact CB-SD 3.38Å |
| 209 | L | 72.7 | Confident | 72.7 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.4 | -28.8 | 176.3 | -175.1 | 65.2 | 0 | 0 | 0 | 112.9 | T200 S205 E207 Q217 | T200-L209 HydrophobicContact CG2-CB 4.35Å; T200-L209 HydrophobicContact CG2-CD2 4.25Å; S205-L209 PolarHBondContact O-N 3.48Å; E207-L209 VanDerWaalsContact C-N 3.33Å; E207-L209 PolarHBondContact O-N 3.22Å; L209-Q217 HydrophobicContact CD1-CB 4.11Å; L209-Q217 HydrophobicContact CD1-CG 4.19Å |
| 210 | R | 71.6 | Confident | 73 | Confident | 207 Ų | 207 | 70.2 Ų | 70.2 | 78% | 0.781 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -82.5 | -26 | 179.6 | -71.2 | 178.6 | 178.7 | 157 | 2.2 | 113.3 | V206 E207 A208 | V206-R210 PolarHBondContact O-N 3.01Å; E207-R210 WeakPolarHBondContact O-CB 3.27Å; E207-R210 PolarHBondContact O-N 3.45Å; A208-R210 PolarHBondContact O-N 2.91Å |
| 211 | T | 66.5 | Low | 73.1 | Confident | 110 Ų | 110 | 71.1 Ų | 71.1 | 68% | 0.675 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -107.6 | -18.5 | -171.2 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | E207 A208 | E207-T211 PolarHBondContact O-N 3.37Å; E207-T211 PolarHBondContact O-OG1 2.7Å; A208-T211 PolarHBondContact O-N 3.04Å; A208-T211 PolarHBondContact O-OG1 3.24Å |
| 212 | A | 59.1 | Low | 73.4 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | trans | -81.4 | 150.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A208 E216 | A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 3.42Å; A212-E216 HydrophobicContact CB-CB 4.22Å; A212-E216 WeakPolarHBondContact CB-O 3.37Å | ||
| 213 | S | 57 | Low | 73.7 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | trans | -73.9 | 159.6 | 165.7 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | S215 E216 | S213-S215 PolarHBondContact O-N 3.02Å; S213-E216 PolarHBondContact O-N 2.9Å | ||
| 214 | L | 52.3 | Low | 74.2 | Confident | 142 Ų | 142 | 71 Ų | 71 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -31.7 | -167.5 | -72.9 | 164.9 | 0 | 0 | 0 | 114.4 | Q217 | L214-Q217 PolarHBondContact O-NE2 2.75Š|
| 215 | S | 51.6 | Low | 74.4 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 67% | 0.671 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 3.7 | -178.6 | 55.4 | 0 | 0 | 0 | 0 | 116.5 | S213 | S213-S215 PolarHBondContact O-N 3.02Š|
| 216 | E | 62.2 | Low | 74.6 | Confident | 130 Ų | 130 | 65.1 Ų | 65.1 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | trans | -128.6 | 23.5 | -172 | -64.5 | -179.4 | 151.8 | 0 | 0 | 113.9 | A212 S213 F218 | A212-E216 HydrophobicContact CB-CB 4.22Å; A212-E216 WeakPolarHBondContact CB-O 3.37Å; S213-E216 PolarHBondContact O-N 2.9Å; E216-F218 PolarHBondContact O-N 3.41Å | ||
| 217 | Q | 72.3 | Confident | 74.8 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | trans | -73.7 | -25.8 | -171.8 | -64.6 | 175.4 | 50.5 | 0 | 0 | 114.3 | L193 E194 L209 L214 | L193-Q217 HydrophobicContact CD2-CB 4.22Å; E194-Q217 PolarHBondContact OE1-NE2 3.22Å; L209-Q217 HydrophobicContact CD1-CB 4.11Å; L209-Q217 HydrophobicContact CD1-CG 4.19Å; L214-Q217 PolarHBondContact O-NE2 2.75Å | ||
| 218 | F | 86.5 | Confident | 75.2 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -99.5 | 132.1 | 178 | -175.9 | -83.7 | 0 | 0 | 0 | 111.6 | V169 V170 A189 S190 L193 L198 E216 Y226 | V169-F218 HydrophobicContact CB-CZ 3.79Å; V169-F218 HydrophobicContact CG1-CZ 4.02Å; V169-F218 HydrophobicContact CG2-CE2 4.47Å; V169-F218 HydrophobicContact CG2-CZ 4.03Å; V170-F218 HydrophobicContact CG2-CE1 3.98Å; A189-F218 HydrophobicContact CB-CD1 3.52Å; A189-F218 HydrophobicContact CB-CD2 3.94Å; A189-F218 HydrophobicContact CB-CE1 3.54Å; A189-F218 HydrophobicContact CB-CE2 3.95Å; A189-F218 HydrophobicContact CB-CG 3.73Å; A189-F218 HydrophobicContact CB-CZ 3.76Å; S190-F218 WeakPolarHBondContact OG-CB 3.5Å; L193-F218 HydrophobicContact CD2-CB 4.3Å; L193-F218 HydrophobicContact CD2-CD2 4.49Å; L198-F218 HydrophobicContact CD1-CE2 4.24Å; E216-F218 PolarHBondContact O-N 3.41Å; F218-Y226 HydrophobicContact CD2-CD1 4.07Å; F218-Y226 AromaticContact CD2-CE1 3.63Å; F218-Y226 HydrophobicContact CD2-CE1 3.63Å; F218-Y226 HydrophobicContact CD2-CE2 4.22Å; F218-Y226 AromaticContact CD2-CZ 3.73Å; F218-Y226 AromaticContact CE2-CD1 3.92Å; F218-Y226 HydrophobicContact CE2-CD1 3.92Å; F218-Y226 AromaticContact CE2-CD2 3.82Å; F218-Y226 HydrophobicContact CE2-CD2 3.82Å; F218-Y226 AromaticContact CE2-CE1 3.82Å; F218-Y226 HydrophobicContact CE2-CE1 3.82Å; F218-Y226 AromaticContact CE2-CE2 3.73Å; F218-Y226 HydrophobicContact CE2-CE2 3.73Å; F218-Y226 AromaticContact CE2-CG 3.93Å; F218-Y226 HydrophobicContact CE2-CG 3.93Å; F218-Y226 AromaticContact CE2-CZ 3.74Å; F218-Y226 HydrophobicContact CG-CE1 4.5Å; F218-Y226 HydrophobicContact CZ-CD2 4.23Å; F218-Y226 HydrophobicContact CZ-CE2 4.02Å |
| 219 | M | 85.8 | Confident | 75 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 32% | 0.315 | 33% | 0.328 | S | S | . | . | trans | -104.6 | 126.9 | 180 | -61.8 | -171.6 | 76.3 | 0 | 0 | 113.1 | G166 A208 D221 A224 Y226 | G166-M219 WeakPolarHBondContact CA-O 3.16Å; A208-M219 HydrophobicContact CB-CG 3.71Å; A208-M219 HydrophobicContact CB-SD 3.4Å; A208-M219 WeakPolarHBondContact CB-SD 3.38Å; M219-D221 VanDerWaalsContact C-N 3.28Å; M219-D221 HydrophobicContact CB-CB 4.36Å; M219-D221 PolarHBondContact O-N 3.31Å; M219-A224 HydrophobicContact CB-CB 3.95Å; M219-Y226 PolarHBondContact N-OH 3.03Å | ||
| 220 | D | 89.5 | Confident | 74.2 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | trans | -78.1 | 71.9 | 165.8 | -175.3 | 13.5 | 0 | 0 | 0 | 110.9 | S167 V170 R182 M186 | S167-D220 VanDerWaalsContact CA-OD1 3.29Å; S167-D220 WeakPolarHBondContact CA-OD1 3.39Å; V170-D220 HydrophobicContact CG2-CB 3.92Å; R182-D220 IonicContact CZ-OD1 3.87Å; R182-D220 IonicContact CZ-OD2 3.57Å; R182-D220 IonicContact NE-OD2 2.8Å; R182-D220 PolarHBondContact NE-OD2 2.89Å; R182-D220 IonicContact NH2-OD1 3.5Å; R182-D220 PolarHBondContact NH2-OD1 3.01Å; R182-D220 IonicContact NH2-OD2 2.64Å; R182-D220 PolarHBondContact NH2-OD2 3.21Å; M186-D220 HydrophobicContact CG-CB 3.79Å; M186-D220 HydrophobicContact SD-CB 3.74Å | ||
| 221 | D | 86.6 | Confident | 72.6 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | trans | -139.4 | 144.4 | -177.1 | -174.1 | -78.4 | 0 | 0 | 0 | 110.8 | G166 S167 M219 T223 A224 | G166-D221 PolarHBondContact N-O 2.88Å; S167-D221 PolarHBondContact N-O 3.25Å; M219-D221 VanDerWaalsContact C-N 3.28Å; M219-D221 HydrophobicContact CB-CB 4.36Å; M219-D221 PolarHBondContact O-N 3.31Å; D221-T223 VanDerWaalsContact C-N 3.29Å; D221-T223 PolarHBondContact O-N 3.12Å; D221-T223 WeakPolarHBondContact OD1-CA 3.11Å; D221-T223 VanDerWaalsContact OD1-CB 3.32Å; D221-T223 WeakPolarHBondContact OD1-CB 3.49Å; D221-T223 PolarHBondContact OD1-N 3.31Å; D221-T223 PolarHBondContact OD1-OG1 2.75Å; D221-A224 HydrophobicContact CB-CB 4.01Å; D221-A224 PolarHBondContact O-N 2.64Å; D221-A224 PolarHBondContact OD1-N 3.41Å | ||
| 222 | S | 85.6 | Confident | 71.2 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -75.3 | -17.6 | -177.1 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | S165 | S165-S222 WeakPolarHBondContact CB-O 3.11Š|
| 223 | T | 82.1 | Confident | 70.2 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -97.8 | -14.2 | 176.3 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | D221 L225 | D221-T223 VanDerWaalsContact C-N 3.29Å; D221-T223 PolarHBondContact O-N 3.12Å; D221-T223 WeakPolarHBondContact OD1-CA 3.11Å; D221-T223 VanDerWaalsContact OD1-CB 3.32Å; D221-T223 WeakPolarHBondContact OD1-CB 3.49Å; D221-T223 PolarHBondContact OD1-N 3.31Å; D221-T223 PolarHBondContact OD1-OG1 2.75Å; T223-L225 PolarHBondContact O-N 2.85Å |
| 224 | A | 86.9 | Confident | 69.1 | Low | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -78.6 | 109.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S165 G166 R204 M219 D221 Y226 | S165-A224 CarbonylContact C-O 3.56Å; S165-A224 WeakPolarHBondContact CA-O 3.22Å; G166-A224 PolarHBondContact N-O 3.42Å; R204-A224 HydrophobicContact CB-CB 4.49Å; M219-A224 HydrophobicContact CB-CB 3.95Å; D221-A224 HydrophobicContact CB-CB 4.01Å; D221-A224 PolarHBondContact O-N 2.64Å; D221-A224 PolarHBondContact OD1-N 3.41Å; A224-Y226 HydrophobicContact CB-CE2 3.77Å; A224-Y226 WeakPolarHBondContact O-CD2 3.35Å; A224-Y226 WeakPolarHBondContact O-CE2 3.44Å | ||
| 225 | L | 82.5 | Confident | 68.2 | Low | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.8 | -175.7 | -56.6 | 176.9 | 0 | 0 | 0 | 112.7 | H153 Y160 V201 G202 S205 T223 | H153-L225 HydrophobicContact CB-CD1 3.73Å; H153-L225 HydrophobicContact CB-CD2 4.02Å; Y160-L225 HydrophobicContact CD2-CD1 3.8Å; Y160-L225 HydrophobicContact CG-CD1 4.02Å; V201-L225 PolarHBondContact N-O 3.24Å; G202-L225 PolarHBondContact N-O 2.96Å; G202-L225 VanDerWaalsContact N-O 3.16Å; S205-L225 WeakPolarHBondContact CB-O 3.45Å; S205-L225 PolarHBondContact OG-O 3.43Å; T223-L225 PolarHBondContact O-N 2.85Å |
| 226 | Y | 85.6 | Confident | 67 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.7 | 179 | -54.5 | -95.2 | 0 | 0 | 0 | 110 | C163 F164 L193 Q199 T200 F218 M219 A224 | C163-Y226 WeakPolarHBondContact CA-O 3.42Å; C163-Y226 VanDerWaalsContact CB-O 3.24Å; C163-Y226 WeakPolarHBondContact CB-O 3.31Å; F164-Y226 PolarHBondContact N-O 3.29Å; F164-Y226 PolarHBondContact O-N 3.28Å; L193-Y226 HydrophobicContact CD1-CD1 4.3Å; L193-Y226 HydrophobicContact CD2-CE1 4.25Å; Q199-Y226 VanDerWaalsContact O-CA 3.28Å; Q199-Y226 WeakPolarHBondContact O-CA 3.38Å; T200-Y226 HydrophobicContact CG2-CD1 4.08Å; T200-Y226 HydrophobicContact CG2-CE1 3.81Å; F218-Y226 HydrophobicContact CD2-CD1 4.07Å; F218-Y226 AromaticContact CD2-CE1 3.63Å; F218-Y226 HydrophobicContact CD2-CE1 3.63Å; F218-Y226 HydrophobicContact CD2-CE2 4.22Å; F218-Y226 AromaticContact CD2-CZ 3.73Å; F218-Y226 AromaticContact CE2-CD1 3.92Å; F218-Y226 HydrophobicContact CE2-CD1 3.92Å; F218-Y226 AromaticContact CE2-CD2 3.82Å; F218-Y226 HydrophobicContact CE2-CD2 3.82Å; F218-Y226 AromaticContact CE2-CE1 3.82Å; F218-Y226 HydrophobicContact CE2-CE1 3.82Å; F218-Y226 AromaticContact CE2-CE2 3.73Å; F218-Y226 HydrophobicContact CE2-CE2 3.73Å; F218-Y226 AromaticContact CE2-CG 3.93Å; F218-Y226 HydrophobicContact CE2-CG 3.93Å; F218-Y226 AromaticContact CE2-CZ 3.74Å; F218-Y226 HydrophobicContact CG-CE1 4.5Å; F218-Y226 HydrophobicContact CZ-CD2 4.23Å; F218-Y226 HydrophobicContact CZ-CE2 4.02Å; M219-Y226 PolarHBondContact N-OH 3.03Å; A224-Y226 HydrophobicContact CB-CE2 3.77Å; A224-Y226 WeakPolarHBondContact O-CD2 3.35Å; A224-Y226 WeakPolarHBondContact O-CE2 3.44Å |
| 227 | S | 84.7 | Confident | 65.3 | Low | 13 Ų | 13 | 76.5 Ų | 76.5 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 168 | 167.8 | 80.1 | 0 | 0 | 0 | 0 | 109.7 | L198 Q199 V201 | L198-S227 WeakPolarHBondContact CA-O 3.27Å; Q199-S227 VanDerWaalsContact CG-OG 3.3Å; Q199-S227 WeakPolarHBondContact CG-OG 3.15Å; Q199-S227 PolarHBondContact N-O 3.33Å; Q199-S227 PolarHBondContact NE2-OG 3.41Å; Q199-S227 PolarHBondContact O-N 3.48Å; V201-S227 WeakPolarHBondContact CG2-OG 3.23Å |
| 228 | F | 83 | Confident | 63.3 | Low | 9 Ų | 9 | 82 Ų | 82 | 4% | 0.039 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 148.9 | 164.6 | -58.1 | -66.8 | 0 | 0 | 0 | 110.8 | L138 M141 Y142 L150 F164 L198 Q199 D230 | L138-F228 HydrophobicContact CD1-CD1 3.67Å; L138-F228 HydrophobicContact CD1-CE1 3.63Å; M141-F228 HydrophobicContact CB-CE1 3.95Å; M141-F228 HydrophobicContact CB-CZ 3.88Å; M141-F228 HydrophobicContact CE-CE1 4.06Å; M141-F228 HydrophobicContact SD-CE1 4.48Å; Y142-F228 HydrophobicContact CD1-CD2 4.17Å; Y142-F228 AromaticContact CD1-CE2 3.92Å; Y142-F228 HydrophobicContact CD1-CE2 3.92Å; Y142-F228 HydrophobicContact CD1-CZ 4.29Å; Y142-F228 HydrophobicContact CD2-CE1 4.35Å; Y142-F228 HydrophobicContact CD2-CZ 4.42Å; Y142-F228 HydrophobicContact CE1-CB 4.36Å; Y142-F228 HydrophobicContact CE1-CD1 4.34Å; Y142-F228 AromaticContact CE1-CD2 3.4Å; Y142-F228 HydrophobicContact CE1-CD2 3.4Å; Y142-F228 VanDerWaalsContact CE1-CD2 3.4Å; Y142-F228 AromaticContact CE1-CE2 3.64Å; Y142-F228 HydrophobicContact CE1-CE2 3.64Å; Y142-F228 AromaticContact CE1-CG 3.79Å; Y142-F228 HydrophobicContact CE1-CG 3.79Å; Y142-F228 HydrophobicContact CE1-CZ 4.21Å; Y142-F228 AromaticContact CE2-CD1 3.83Å; Y142-F228 HydrophobicContact CE2-CD1 3.83Å; Y142-F228 HydrophobicContact CE2-CD2 4.37Å; Y142-F228 AromaticContact CE2-CE1 4Å; Y142-F228 HydrophobicContact CE2-CE1 4Å; Y142-F228 HydrophobicContact CE2-CG 4.03Å; Y142-F228 HydrophobicContact CE2-CZ 4.33Å; Y142-F228 HydrophobicContact CG-CE2 4.48Å; Y142-F228 HydrophobicContact CG-CZ 4.41Å; Y142-F228 AromaticContact CZ-CD1 3.69Å; Y142-F228 AromaticContact CZ-CD2 3.55Å; Y142-F228 AromaticContact CZ-CE2 3.98Å; Y142-F228 AromaticContact CZ-CG 3.38Å; Y142-F228 WeakPolarHBondContact OH-CB 3.17Å; Y142-F228 WeakPolarHBondContact OH-CG 3.24Å; L150-F228 HydrophobicContact CD1-CE2 4.46Å; L150-F228 HydrophobicContact CD2-CD2 4.17Å; L150-F228 HydrophobicContact CD2-CE2 4.05Å; L150-F228 HydrophobicContact CG-CE2 4.5Å; F164-F228 HydrophobicContact CE1-CD1 4.39Å; F164-F228 AromaticContact CE1-CD2 3.96Å; F164-F228 HydrophobicContact CE1-CD2 3.96Å; F164-F228 HydrophobicContact CE1-CE1 4.14Å; F164-F228 AromaticContact CE1-CE2 3.69Å; F164-F228 HydrophobicContact CE1-CE2 3.69Å; F164-F228 HydrophobicContact CE1-CG 4.31Å; F164-F228 AromaticContact CE1-CZ 3.78Å; F164-F228 HydrophobicContact CE1-CZ 3.78Å; F164-F228 HydrophobicContact CZ-CD1 4.29Å; F164-F228 HydrophobicContact CZ-CE1 4.1Å; F164-F228 HydrophobicContact CZ-CE2 4.44Å; F164-F228 HydrophobicContact CZ-CZ 4.18Å; L198-F228 HydrophobicContact CD2-CD1 3.77Å; L198-F228 HydrophobicContact CD2-CE1 4.07Å; Q199-F228 PolarHBondContact NE2-O 3.43Å; F228-D230 PolarHBondContact O-N 2.98Å |
| 229 | S | 71.8 | Confident | 60.6 | Low | 36 Ų | 36 | 89.1 Ų | 89.1 | 25% | 0.252 | 48% | 0.475 | S | S | . | . | trans | -76.5 | 86.7 | 176.2 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | G196 F197 L198 S231 | G196-S229 WeakPolarHBondContact O-CB 3.46Å; G196-S229 PolarHBondContact O-OG 3.01Å; F197-S229 PolarHBondContact O-N 3.14Å; F197-S229 VanDerWaalsContact O-N 3.16Å; L198-S229 PolarHBondContact O-OG 3.4Å; S229-S231 VanDerWaalsContact C-N 3.3Å; S229-S231 PolarHBondContact O-N 3.26Å | ||
| 230 | D | 54.9 | Low | 57.8 | Low | 128 Ų | 128 | 91.6 Ų | 91.6 | 68% | 0.684 | 50% | 0.499 | S | S | * | . | trans | -65.9 | 82.5 | 173.9 | -92.9 | -27 | 0 | 0 | 0 | 111.3 | F228 F232 | F228-D230 PolarHBondContact O-N 2.98Å; D230-F232 PolarHBondContact O-N 2.86Å | ||
| 231 | S | 39.1 | Very low | 55.2 | Low | 106 Ų | 106 | 98 Ų | 98 | 74% | 0.741 | 53% | 0.527 | S | S | * | . | trans | -81.1 | 39.7 | 167.8 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | S229 | S229-S231 VanDerWaalsContact C-N 3.3Å; S229-S231 PolarHBondContact O-N 3.26Å | ||
| 232 | F | 36.6 | Very low | 52.9 | Low | 182 Ų | 182 | 107 Ų | 107 | 80% | 0.798 | 56% | 0.557 | S | S | * | * | trans | -147.8 | 85.1 | 167.3 | -75.8 | -77.5 | 0 | 0 | 0 | 113 | D230 | D230-F232 PolarHBondContact O-N 2.86Š| ||
| 233 | K | 38.1 | Very low | 51 | Low | 181 Ų | 181 | 108.9 Ų | 108.9 | 79% | 0.787 | 57% | 0.571 | S | S | * | * | 152.7 | 123.4 | 124 | -82 | 163.5 | -172.7 | 169.8 | 0 | 111.3 | |||||
| 234 | K | 33.1 | Very low | 49.7 | Very low | 215 Ų | 215 | 108.5 Ų | 108.5 | 94% | 0.935 | 57% | 0.566 | S | S | * | * | -143.3 | 117.4 | 124.5 | -108.3 | 175.5 | -173 | 175.5 | 0 | 109.8 | |||||
| 235 | R | 33 | Very low | 48.4 | Very low | 229 Ų | 229 | 111.2 Ų | 111.2 | 86% | 0.864 | 59% | 0.585 | S | S | * | * | trans | -60.7 | 147.6 | 171.1 | -72.3 | 173.7 | -177.9 | 167.3 | 3.1 | 110.3 | ||||
| 236 | G | 28.1 | Very low | 47.3 | Very low | 79 Ų | 79 | 115 Ų | 115 | 81% | 0.814 | 62% | 0.618 | S | S | * | * | trans | -159.4 | 45.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 237 | S | 26 | Very low | 46.3 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | -169.3 | 109.6 | 153 | -164.5 | 0 | 0 | 0 | 0 | 109.2 | K239 | S237-K239 PolarHBondContact O-N 3.12Š| ||
| 238 | V | 29.2 | Very low | 45.7 | Very low | 146 Ų | 146 | 121.6 Ų | 121.6 | 89% | 0.885 | 65% | 0.653 | S | S | * | * | trans | -68.8 | 98.6 | 167.5 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 239 | K | 29.7 | Very low | 45.3 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | trans | -96.9 | 129.6 | 148.5 | -74 | -179.1 | -179.3 | 168.5 | 0 | 105.7 | S237 E241 | S237-K239 PolarHBondContact O-N 3.12Å; K239-E241 PolarHBondContact O-N 3.07Å | ||
| 240 | S | 28.4 | Very low | 45.2 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | trans | -63.3 | 84.2 | 173 | 65.5 | 0 | 0 | 0 | 0 | 108.9 | R242 | S240-R242 PolarHBondContact O-N 2.91Š| ||
| 241 | E | 34.3 | Very low | 46.1 | Very low | 179 Ų | 179 | 120.1 Ų | 120.1 | 84% | 0.836 | 65% | 0.65 | S | S | * | * | trans | -70.9 | 110.8 | 164.1 | -81.8 | 173.7 | 168.1 | 0 | 0 | 106.1 | K239 S243 | K239-E241 PolarHBondContact O-N 3.07Å; E241-S243 VanDerWaalsContact C-N 3.34Å; E241-S243 PolarHBondContact O-N 3.25Å | ||
| 242 | R | 38.9 | Very low | 48.2 | Very low | 236 Ų | 236 | 122.7 Ų | 122.7 | 89% | 0.891 | 65% | 0.648 | S | S | * | * | trans | -60.3 | 102.6 | 166.2 | -75.9 | 178.7 | 173.8 | 177.2 | -3.4 | 105.9 | S240 L244 | S240-R242 PolarHBondContact O-N 2.91Å; R242-L244 PolarHBondContact O-N 2.96Å | ||
| 243 | S | 45.4 | Very low | 50.6 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | trans | -57 | 114.4 | 169.4 | -171.8 | 0 | 0 | 0 | 0 | 107.1 | E241 | E241-S243 VanDerWaalsContact C-N 3.34Å; E241-S243 PolarHBondContact O-N 3.25Å | ||
| 244 | L | 55 | Low | 53.1 | Low | 46 Ų | 46 | 111.6 Ų | 111.6 | 24% | 0.241 | 61% | 0.61 | C | S | . | * | trans | -63.9 | 140.6 | 172.6 | -68.9 | 164.4 | 0 | 0 | 0 | 108 | R242 E248 P295 | R242-L244 PolarHBondContact O-N 2.96Å; L244-E248 WeakPolarHBondContact CA-OE2 3.37Å; L244-E248 WeakPolarHBondContact CB-OE2 3.43Å; L244-E248 WeakPolarHBondContact CD2-OE2 3.36Å; L244-P295 HydrophobicContact CD1-CB 4.19Å; L244-P295 HydrophobicContact CD1-CG 3.52Å | ||
| 245 | S | 58.6 | Low | 55.9 | Low | 57 Ų | 57 | 104 Ų | 104 | 40% | 0.399 | 58% | 0.577 | S | S | . | * | trans | -79.1 | 150.1 | -174.5 | 78.6 | 0 | 0 | 0 | 0 | 110.8 | V247 E248 | S245-V247 PolarHBondContact O-N 2.98Å; S245-V247 VanDerWaalsContact O-N 3.07Å; S245-E248 PolarHBondContact N-OE2 2.89Å; S245-E248 WeakPolarHBondContact O-CB 3.42Å; S245-E248 PolarHBondContact O-N 3.38Å; S245-E248 WeakPolarHBondContact OG-CG 3.42Å | ||
| 246 | A | 60.4 | Low | 58.8 | Low | 85 Ų | 85 | 97 Ų | 97 | 70% | 0.702 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -55.4 | -28.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L249 S250 | A246-L249 PolarHBondContact O-N 2.95Å; A246-S250 PolarHBondContact O-N 2.87Å |
| 247 | V | 64.4 | Low | 61.8 | Low | 101 Ų | 101 | 93.4 Ų | 93.4 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -36.6 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 112 | S245 L249 S250 P280 | S245-V247 PolarHBondContact O-N 2.98Å; S245-V247 VanDerWaalsContact O-N 3.07Å; V247-L249 PolarHBondContact O-N 3.42Å; V247-S250 PolarHBondContact O-N 2.94Å; V247-S250 PolarHBondContact O-OG 3.46Å; V247-P280 VanDerWaalsContact O-CG 3.28Å; V247-P280 WeakPolarHBondContact O-CG 3.46Å |
| 248 | E | 72.1 | Confident | 65.1 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 23% | 0.229 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.1 | -29.8 | 177.7 | -62.4 | 172.7 | 144.3 | 0 | 0 | 111 | L244 S245 F282 H284 | L244-E248 WeakPolarHBondContact CA-OE2 3.37Å; L244-E248 WeakPolarHBondContact CB-OE2 3.43Å; L244-E248 WeakPolarHBondContact CD2-OE2 3.36Å; S245-E248 PolarHBondContact N-OE2 2.89Å; S245-E248 WeakPolarHBondContact O-CB 3.42Å; S245-E248 PolarHBondContact O-N 3.38Å; S245-E248 WeakPolarHBondContact OG-CG 3.42Å; E248-F282 HydrophobicContact CB-CD1 4.16Å; E248-F282 HydrophobicContact CB-CE1 3.91Å; E248-F282 HydrophobicContact CB-CE2 4.4Å; E248-F282 HydrophobicContact CB-CZ 4.05Å; E248-F282 HydrophobicContact CG-CD1 4.41Å; E248-F282 HydrophobicContact CG-CE1 3.66Å; E248-F282 HydrophobicContact CG-CE2 4.15Å; E248-F282 HydrophobicContact CG-CZ 3.52Å; E248-H284 PolarHBondContact O-CE1 3.14Å |
| 249 | L | 74 | Confident | 68.2 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 29% | 0.293 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -89.3 | -10.4 | -178.3 | -59.7 | 177.5 | 0 | 0 | 0 | 114.1 | A246 V247 G251 R277 P295 | A246-L249 PolarHBondContact O-N 2.95Å; V247-L249 PolarHBondContact O-N 3.42Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 2.93Å; L249-R277 PolarHBondContact O-NH1 3.24Å; L249-P295 HydrophobicContact CD2-CG 4.07Å |
| 250 | S | 70.5 | Confident | 71.3 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 58% | 0.58 | 41% | 0.409 | S | S | * | . | trans | -76.5 | -12.1 | -174.9 | 68.9 | 0 | 0 | 0 | 0 | 114.3 | A246 V247 | A246-S250 PolarHBondContact O-N 2.87Å; V247-S250 PolarHBondContact O-N 2.94Å; V247-S250 PolarHBondContact O-OG 3.46Å | ||
| 251 | G | 73.6 | Confident | 74.4 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -64.7 | 147.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L249 V253 R277 S278 E279 | L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 2.93Å; G251-V253 PolarHBondContact O-N 3.46Å; G251-R277 WeakPolarHBondContact O-CD 3.47Å; G251-R277 PolarHBondContact O-NH1 2.69Å; G251-S278 CarbonylContact C-O 3.43Å; G251-S278 VanDerWaalsContact CA-O 3.23Å; G251-S278 WeakPolarHBondContact CA-O 3.16Å; G251-E279 WeakPolarHBondContact CA-O 3.18Å |
| 252 | K | 83.9 | Confident | 77.1 | Confident | 161 Ų | 161 | 61.6 Ų | 61.6 | 70% | 0.7 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 129.4 | 178.8 | -179.1 | -176.2 | 176.4 | -173.4 | 0 | 109.6 | V254 R277 S278 | K252-V254 PolarHBondContact O-N 3.39Å; K252-R277 CarbonylContact O-C 3.5Å; K252-R277 WeakPolarHBondContact O-CA 3.28Å; K252-S278 PolarHBondContact N-O 2.89Å; K252-S278 PolarHBondContact O-N 3.46Å |
| 253 | V | 86.9 | Confident | 79.5 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 119.4 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | G251 V275 R277 | G251-V253 PolarHBondContact O-N 3.46Å; V253-V275 HydrophobicContact CB-CG1 4.37Å; V253-V275 HydrophobicContact CG1-CG1 3.8Å; V253-V275 HydrophobicContact CG2-CG1 3.77Å; V253-R277 HydrophobicContact CG2-CG 4.41Å |
| 254 | V | 90.4 | Very high | 81.2 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 40% | 0.4 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -46.9 | 177.4 | 179 | 0 | 0 | 0 | 0 | 110.4 | K252 L276 S278 | K252-V254 PolarHBondContact O-N 3.39Å; V254-L276 HydrophobicContact CB-CD2 4.21Å; V254-L276 HydrophobicContact CB-CG 4.12Å; V254-L276 HydrophobicContact CG1-CD2 4.19Å; V254-L276 PolarHBondContact N-O 2.98Å; V254-S278 WeakPolarHBondContact CG2-OG 3.43Å |
| 255 | K | 91.8 | Very high | 82.4 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 24% | 0.239 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 144.8 | -178.4 | -166.5 | 176.6 | 177.5 | 76.4 | 0 | 110.8 | L276 W350 A353 | K255-L276 HydrophobicContact CB-CB 4.16Å; K255-L276 HydrophobicContact CB-CD2 4.21Å; K255-L276 PolarHBondContact N-O 3.24Å; K255-L276 PolarHBondContact O-N 2.79Å; K255-W350 HydrophobicContact CB-CH2 4.23Å; K255-W350 HydrophobicContact CB-CZ3 4.32Å; K255-W350 HydrophobicContact CD-CD2 3.83Å; K255-W350 HydrophobicContact CD-CE3 3.98Å; K255-W350 HydrophobicContact CD-CG 4.35Å; K255-W350 HydrophobicContact CD-CH2 4.34Å; K255-W350 HydrophobicContact CD-CZ2 4.18Å; K255-W350 HydrophobicContact CD-CZ3 4.25Å; K255-W350 HydrophobicContact CG-CH2 4.01Å; K255-W350 HydrophobicContact CG-CZ2 3.96Å; K255-W350 HydrophobicContact CG-CZ3 4.29Å; K255-A353 HydrophobicContact CD-CB 4.01Å |
| 256 | R | 93.3 | Very high | 83.4 | Confident | 81 Ų | 81 | 65.4 Ų | 65.4 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 152.5 | 172.7 | 62.3 | -167 | 166.9 | 164.4 | -6 | 110.5 | C91 S92 E94 L273 F274 V275 | C91-R256 WeakPolarHBondContact O-CD 3.4Å; C91-R256 WeakPolarHBondContact O-CG 3.44Å; C91-R256 PolarHBondContact O-NE 2.56Å; S92-R256 VanDerWaalsContact CB-CZ 3.47Å; E94-R256 IonicContact OE2-NH2 2.88Å; E94-R256 PolarHBondContact OE2-NH2 3.31Å; E94-R256 VanDerWaalsContact OE2-NH2 3.07Å; R256-L273 HydrophobicContact CB-CD1 4.44Å; R256-F274 WeakPolarHBondContact CA-O 3.44Å; R256-V275 HydrophobicContact CB-CG2 4.36Å |
| 257 | G | 92.2 | Very high | 84.6 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | 152.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C91 F274 | C91-G257 VanDerWaalsContact SG-CA 3.58Å; G257-F274 PolarHBondContact N-O 2.66Å; G257-F274 VanDerWaalsContact N-O 3.11Å; G257-F274 PolarHBondContact O-N 2.84Å |
| 258 | Y | 94.9 | Very high | 85.7 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.4 | 173 | -64.3 | -54.6 | 0 | 0 | 0 | 110.5 | F14 V16 A90 C91 V271 R272 L273 P288 | F14-Y258 HydrophobicContact CB-CD2 3.69Å; F14-Y258 HydrophobicContact CB-CG 4Å; F14-Y258 WeakPolarHBondContact O-CD2 3.42Å; V16-Y258 HydrophobicContact CG2-CE1 4.01Å; V16-Y258 HydrophobicContact CG2-CE2 4.32Å; V16-Y258 VanDerWaalsContact CG2-OH 3.32Å; V16-Y258 WeakPolarHBondContact CG2-OH 3.37Å; A90-Y258 PolarHBondContact O-OH 2.9Å; C91-Y258 HydrophobicContact CB-CD1 4.42Å; C91-Y258 HydrophobicContact CB-CD2 3.73Å; C91-Y258 HydrophobicContact CB-CE1 4.24Å; C91-Y258 HydrophobicContact CB-CE2 3.56Å; C91-Y258 HydrophobicContact CB-CG 4.16Å; C91-Y258 VanDerWaalsContact N-CE2 3.35Å; Y258-V271 HydrophobicContact CD1-CG1 4.32Å; Y258-V271 HydrophobicContact CG-CG1 4.39Å; Y258-R272 WeakPolarHBondContact CA-O 3.19Å; Y258-L273 HydrophobicContact CD1-CB 4.05Å; Y258-L273 HydrophobicContact CD1-CD1 4.15Å; Y258-L273 HydrophobicContact CE1-CB 3.9Å; Y258-L273 HydrophobicContact CE1-CD1 3.96Å; Y258-L273 HydrophobicContact CE1-CG 4.43Å; Y258-P288 HydrophobicContact CD1-CB 4.3Å; Y258-P288 HydrophobicContact CD1-CG 4.4Å; Y258-P288 HydrophobicContact CE1-CB 3.65Å; Y258-P288 HydrophobicContact CE1-CG 4.22Å |
| 259 | L | 94.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.3 | 177 | -54.1 | 172.8 | 0 | 0 | 0 | 110 | V271 R272 F274 F327 I339 A341 W350 | L259-V271 WeakPolarHBondContact O-CA 3.46Å; L259-R272 PolarHBondContact N-O 3.25Å; L259-R272 PolarHBondContact O-N 2.92Å; L259-F274 HydrophobicContact CB-CD2 3.66Å; L259-F274 HydrophobicContact CB-CE2 3.82Å; L259-F274 HydrophobicContact CD1-CB 4.13Å; L259-F274 HydrophobicContact CD1-CD2 3.85Å; L259-F274 HydrophobicContact CD1-CE2 4.39Å; L259-F274 HydrophobicContact CD1-CG 3.98Å; L259-F274 HydrophobicContact CG-CD2 4.04Å; L259-F327 HydrophobicContact CD1-CZ 4.13Å; L259-I339 HydrophobicContact CB-CG2 3.72Å; L259-I339 HydrophobicContact CD1-CG2 3.7Å; L259-I339 HydrophobicContact CG-CG2 4.28Å; L259-A341 HydrophobicContact CD2-CB 3.91Å; L259-W350 HydrophobicContact CD1-CD2 3.88Å; L259-W350 HydrophobicContact CD1-CE3 4.44Å; L259-W350 HydrophobicContact CD1-CG 4.09Å; L259-W350 HydrophobicContact CD1-CZ2 4.19Å |
| 260 | L | 93.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.5 | 168.1 | -64.5 | 101.2 | 0 | 0 | 0 | 110.6 | F14 Y42 W269 K270 V271 I339 Q340 | F14-L260 HydrophobicContact CE2-CD1 4.1Å; F14-L260 HydrophobicContact CZ-CD1 3.95Å; Y42-L260 HydrophobicContact CD1-CD1 4.01Å; Y42-L260 HydrophobicContact CD1-CD2 3.8Å; Y42-L260 HydrophobicContact CD1-CG 4.41Å; Y42-L260 HydrophobicContact CE1-CD1 3.43Å; Y42-L260 VanDerWaalsContact CE1-CD1 3.43Å; Y42-L260 HydrophobicContact CE1-CD2 3.85Å; Y42-L260 HydrophobicContact CE1-CG 4.23Å; L260-W269 HydrophobicContact CB-CE3 3.86Å; L260-W269 HydrophobicContact CB-CZ3 4.37Å; L260-W269 HydrophobicContact CD2-CB 4.37Å; L260-K270 WeakPolarHBondContact CA-O 3.13Å; L260-V271 HydrophobicContact CG-CG2 4.35Å; L260-I339 CarbonylContact O-C 3.56Å; L260-I339 VanDerWaalsContact O-CA 3.24Å; L260-I339 WeakPolarHBondContact O-CA 3.36Å; L260-I339 WeakPolarHBondContact O-CG2 3.37Å; L260-Q340 HydrophobicContact CB-CB 4.12Å; L260-Q340 HydrophobicContact CD1-CB 4.4Å; L260-Q340 PolarHBondContact N-O 3.45Å; L260-Q340 PolarHBondContact O-N 3.48Å |
| 261 | K | 93.2 | Very high | 88.3 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.7 | 177.2 | -173.5 | -168.3 | -173.2 | -57.4 | 0 | 110.9 | H264 W269 K270 R272 F274 Y285 Y337 | K261-H264 PolarHBondContact NZ-NE2 3Å; K261-W269 WeakPolarHBondContact O-CA 3.35Å; K261-K270 PolarHBondContact N-O 3.43Å; K261-K270 PolarHBondContact O-N 2.99Å; K261-K270 VanDerWaalsContact O-N 3.08Å; K261-R272 HydrophobicContact CB-CG 4.11Å; K261-R272 HydrophobicContact CD-CG 4.44Å; K261-F274 HydrophobicContact CB-CE2 4.07Å; K261-F274 HydrophobicContact CB-CZ 3.91Å; K261-F274 HydrophobicContact CD-CZ 3.97Å; K261-F274 HydrophobicContact CG-CZ 4Å; K261-Y285 HydrophobicContact CD-CD1 4.34Å; K261-Y285 HydrophobicContact CD-CD2 4.12Å; K261-Y285 HydrophobicContact CD-CE1 4.34Å; K261-Y285 HydrophobicContact CD-CE2 4.14Å; K261-Y285 HydrophobicContact CD-CG 4.24Å; K261-Y337 VanDerWaalsContact CE-CD1 3.44Å |
| 262 | Q | 92.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 129 | 167 | -164.7 | 170.9 | -101.6 | 0 | 0 | 111.6 | K267 W269 G317 F338 | Q262-K267 HydrophobicContact CG-CB 4.29Å; Q262-K267 HydrophobicContact CG-CD 4.17Å; Q262-W269 HydrophobicContact CB-CD2 4.04Å; Q262-W269 HydrophobicContact CB-CE3 4.26Å; Q262-W269 HydrophobicContact CB-CH2 3.94Å; Q262-W269 HydrophobicContact CB-CZ2 3.62Å; Q262-W269 HydrophobicContact CB-CZ3 4.23Å; Q262-W269 HydrophobicContact CG-CD2 4.48Å; Q262-W269 HydrophobicContact CG-CZ2 4.05Å; Q262-G317 PolarHBondContact NE2-O 3.34Å; Q262-F338 HydrophobicContact CB-CB 3.95Å; Q262-F338 PolarHBondContact N-O 2.9Å |
| 263 | G | 88.1 | Confident | 89.7 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | trans | -68.8 | 140.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K267 N268 | G263-K267 WeakPolarHBondContact O-CA 3.24Å; G263-K267 WeakPolarHBondContact O-CD 3.5Å; G263-K267 PolarHBondContact O-N 3.15Å; G263-K267 VanDerWaalsContact O-N 3.15Å; G263-N268 PolarHBondContact N-O 3.5Å | ||
| 264 | H | 81.6 | Confident | 90.2 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -40.5 | -175.4 | -67.1 | -78.3 | 0 | 0 | 0 | 113.8 | K261 K267 H336 Y337 | K261-H264 PolarHBondContact NZ-NE2 3Å; H264-K267 WeakPolarHBondContact O-CE 3.26Å; H264-K267 PolarHBondContact O-NZ 2.95Å; H264-H336 PolarHBondContact CE1-O 3.04Å; H264-H336 VanDerWaalsContact CE1-O 3.26Å; H264-Y337 AromaticContact CE1-CD1 3.75Å; H264-Y337 AromaticContact CE1-CE1 3.62Å; H264-Y337 AromaticContact CE1-CZ 3.76Å; H264-Y337 AromaticContact NE2-CD1 3.52Å; H264-Y337 AromaticContact NE2-CE1 3.11Å; H264-Y337 WeakPolarHBondContact NE2-CE1 3.22Å; H264-Y337 AromaticContact NE2-CZ 3.53Å |
| 265 | R | 79.7 | Confident | 90.3 | Very high | 228 Ų | 228 | 51 Ų | 51 | 86% | 0.86 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -60.1 | -177 | -64.3 | -172.8 | -179.8 | -166.5 | 0.7 | 113 | ||
| 266 | R | 80.6 | Confident | 90.3 | Very high | 222 Ų | 222 | 48.4 Ų | 48.4 | 84% | 0.838 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5.1 | -174.9 | -65 | -172.2 | -179.6 | -177 | 0.4 | 114 | N268 | R266-N268 PolarHBondContact O-N 3.03Š|
| 267 | K | 85.9 | Confident | 90.1 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | trans | 52.6 | 25 | 177.8 | -54 | -73.5 | 177.8 | -177 | 0 | 114.5 | Q262 G263 H264 K319 | Q262-K267 HydrophobicContact CG-CB 4.29Å; Q262-K267 HydrophobicContact CG-CD 4.17Å; G263-K267 WeakPolarHBondContact O-CA 3.24Å; G263-K267 WeakPolarHBondContact O-CD 3.5Å; G263-K267 PolarHBondContact O-N 3.15Å; G263-K267 VanDerWaalsContact O-N 3.15Å; H264-K267 WeakPolarHBondContact O-CE 3.26Å; H264-K267 PolarHBondContact O-NZ 2.95Å; K267-K319 HydrophobicContact CB-CB 3.87Å; K267-K319 HydrophobicContact CB-CG 3.99Å; K267-K319 HydrophobicContact CG-CG 4.16Å | ||
| 268 | N | 86.3 | Confident | 90 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | trans | -80.6 | 149.9 | 172 | 59.9 | -21.7 | 0 | 0 | 0 | 110.5 | G263 R266 K270 | G263-N268 PolarHBondContact N-O 3.5Å; R266-N268 PolarHBondContact O-N 3.03Å; N268-K270 WeakPolarHBondContact ND2-CE 3.41Å | ||
| 269 | W | 89.6 | Confident | 89.5 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.4 | 178.3 | -70.2 | 84.2 | 0 | 0 | 0 | 110.4 | L260 K261 Q262 V318 K319 I322 L326 F338 Q340 | L260-W269 HydrophobicContact CB-CE3 3.86Å; L260-W269 HydrophobicContact CB-CZ3 4.37Å; L260-W269 HydrophobicContact CD2-CB 4.37Å; K261-W269 WeakPolarHBondContact O-CA 3.35Å; Q262-W269 HydrophobicContact CB-CD2 4.04Å; Q262-W269 HydrophobicContact CB-CE3 4.26Å; Q262-W269 HydrophobicContact CB-CH2 3.94Å; Q262-W269 HydrophobicContact CB-CZ2 3.62Å; Q262-W269 HydrophobicContact CB-CZ3 4.23Å; Q262-W269 HydrophobicContact CG-CD2 4.48Å; Q262-W269 HydrophobicContact CG-CZ2 4.05Å; W269-V318 HydrophobicContact CZ2-CG1 3.82Å; W269-V318 HydrophobicContact CZ2-CG2 4.47Å; W269-K319 PolarHBondContact NE1-O 2.99Å; W269-I322 HydrophobicContact CB-CD1 3.89Å; W269-I322 HydrophobicContact CD2-CD1 3.36Å; W269-I322 VanDerWaalsContact CE2-CD1 3.47Å; W269-I322 HydrophobicContact CE3-CD1 4.09Å; W269-I322 HydrophobicContact CG-CD1 3.22Å; W269-I322 HydrophobicContact CZ2-CD1 4.25Å; W269-L326 HydrophobicContact CH2-CD2 3.62Å; W269-L326 HydrophobicContact CZ2-CD2 4.45Å; W269-L326 HydrophobicContact CZ3-CD2 4.17Å; W269-F338 HydrophobicContact CH2-CB 3.83Å; W269-F338 HydrophobicContact CZ2-CB 4.25Å; W269-Q340 HydrophobicContact CZ3-CB 4.14Å |
| 270 | K | 90.1 | Very high | 89 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.6 | 178.5 | -67.2 | -169.6 | 175.3 | -170.6 | 0 | 110.1 | L260 K261 N268 R272 | L260-K270 WeakPolarHBondContact CA-O 3.13Å; K261-K270 PolarHBondContact N-O 3.43Å; K261-K270 PolarHBondContact O-N 2.99Å; K261-K270 VanDerWaalsContact O-N 3.08Å; N268-K270 WeakPolarHBondContact ND2-CE 3.41Å; K270-R272 PolarHBondContact O-N 3.5Å |
| 271 | V | 92.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 132.2 | 166 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | F14 A27 Y258 L259 L260 | F14-V271 HydrophobicContact CD1-CG1 4.41Å; F14-V271 HydrophobicContact CD1-CG2 4.13Å; F14-V271 HydrophobicContact CE1-CG2 3.69Å; F14-V271 HydrophobicContact CZ-CG2 4.06Å; A27-V271 HydrophobicContact CB-CB 3.87Å; A27-V271 HydrophobicContact CB-CG1 3.91Å; A27-V271 HydrophobicContact CB-CG2 4.22Å; Y258-V271 HydrophobicContact CD1-CG1 4.32Å; Y258-V271 HydrophobicContact CG-CG1 4.39Å; L259-V271 WeakPolarHBondContact O-CA 3.46Å; L260-V271 HydrophobicContact CG-CG2 4.35Å |
| 272 | R | 94.2 | Very high | 88.7 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.6 | 177 | -65.5 | -66.4 | 176.5 | -130.3 | 30 | 108.6 | Y258 L259 K261 K270 F274 Y285 Y286 D287 | Y258-R272 WeakPolarHBondContact CA-O 3.19Å; L259-R272 PolarHBondContact N-O 3.25Å; L259-R272 PolarHBondContact O-N 2.92Å; K261-R272 HydrophobicContact CB-CG 4.11Å; K261-R272 HydrophobicContact CD-CG 4.44Å; K270-R272 PolarHBondContact O-N 3.5Å; R272-F274 HydrophobicContact CB-CD2 4.03Å; R272-F274 HydrophobicContact CB-CE2 3.72Å; R272-F274 PolarHBondContact O-N 3.12Å; R272-Y285 HydrophobicContact CG-CD2 4.44Å; R272-Y286 WeakPolarHBondContact CA-O 3.41Å; R272-Y286 WeakPolarHBondContact CD-O 3.16Å; R272-D287 IonicContact CZ-OD2 2.66Å; R272-D287 VanDerWaalsContact CZ-OD2 3.23Å; R272-D287 IonicContact NH1-OD1 2.79Å; R272-D287 PolarHBondContact NH1-OD1 3.35Å; R272-D287 IonicContact NH1-OD2 3.24Å; R272-D287 PolarHBondContact NH1-OD2 2.79Å; R272-D287 IonicContact NH2-OD2 2.79Å; R272-D287 PolarHBondContact NH2-OD2 3.27Å |
| 273 | L | 93 | Very high | 88.8 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 112.2 | 166 | 175.1 | 63.1 | 0 | 0 | 0 | 106.9 | C91 R256 Y258 V275 Y285 Y286 P288 | C91-L273 HydrophobicContact CB-CD1 3.7Å; R256-L273 HydrophobicContact CB-CD1 4.44Å; Y258-L273 HydrophobicContact CD1-CB 4.05Å; Y258-L273 HydrophobicContact CD1-CD1 4.15Å; Y258-L273 HydrophobicContact CE1-CB 3.9Å; Y258-L273 HydrophobicContact CE1-CD1 3.96Å; Y258-L273 HydrophobicContact CE1-CG 4.43Å; L273-V275 HydrophobicContact CD2-CG2 4.44Å; L273-V275 HydrophobicContact CG-CG2 4.15Å; L273-Y285 CarbonylContact O-C 3.48Å; L273-Y285 VanDerWaalsContact O-CA 3.22Å; L273-Y285 WeakPolarHBondContact O-CA 3.5Å; L273-Y286 PolarHBondContact N-O 2.87Å; L273-Y286 PolarHBondContact O-N 2.8Å; L273-P288 HydrophobicContact CB-CB 4.38Å |
| 274 | F | 95.6 | Very high | 89 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140.4 | 171.2 | -79 | -99.9 | 0 | 0 | 0 | 109.6 | R256 G257 L259 K261 R272 L283 H284 Y285 I339 W350 | R256-F274 WeakPolarHBondContact CA-O 3.44Å; G257-F274 PolarHBondContact N-O 2.66Å; G257-F274 VanDerWaalsContact N-O 3.11Å; G257-F274 PolarHBondContact O-N 2.84Å; L259-F274 HydrophobicContact CB-CD2 3.66Å; L259-F274 HydrophobicContact CB-CE2 3.82Å; L259-F274 HydrophobicContact CD1-CB 4.13Å; L259-F274 HydrophobicContact CD1-CD2 3.85Å; L259-F274 HydrophobicContact CD1-CE2 4.39Å; L259-F274 HydrophobicContact CD1-CG 3.98Å; L259-F274 HydrophobicContact CG-CD2 4.04Å; K261-F274 HydrophobicContact CB-CE2 4.07Å; K261-F274 HydrophobicContact CB-CZ 3.91Å; K261-F274 HydrophobicContact CD-CZ 3.97Å; K261-F274 HydrophobicContact CG-CZ 4Å; R272-F274 HydrophobicContact CB-CD2 4.03Å; R272-F274 HydrophobicContact CB-CE2 3.72Å; R272-F274 PolarHBondContact O-N 3.12Å; F274-L283 HydrophobicContact CB-CD1 4.41Å; F274-L283 HydrophobicContact CD1-CD1 4.05Å; F274-L283 HydrophobicContact CD1-CD2 4.04Å; F274-L283 HydrophobicContact CD1-CG 3.97Å; F274-L283 HydrophobicContact CE1-CD2 4.34Å; F274-H284 CarbonylContact C-O 3.52Å; F274-H284 WeakPolarHBondContact CA-O 3.23Å; F274-Y285 HydrophobicContact CE1-CD1 4.1Å; F274-Y285 HydrophobicContact CE1-CG 4.29Å; F274-Y285 HydrophobicContact CZ-CG 4.47Å; F274-I339 HydrophobicContact CE1-CD1 3.68Å; F274-I339 HydrophobicContact CE1-CG1 4.45Å; F274-I339 HydrophobicContact CE2-CG2 4.4Å; F274-I339 HydrophobicContact CZ-CD1 3.79Å; F274-I339 HydrophobicContact CZ-CG1 4.07Å; F274-I339 HydrophobicContact CZ-CG2 4.37Å; F274-W350 HydrophobicContact CB-CH2 3.8Å; F274-W350 HydrophobicContact CB-CZ2 4.24Å; F274-W350 HydrophobicContact CB-CZ3 4.32Å |
| 275 | V | 92.7 | Very high | 89.5 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 109.1 | 177.1 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | V253 R256 L273 R277 H284 Y286 | V253-V275 HydrophobicContact CB-CG1 4.37Å; V253-V275 HydrophobicContact CG1-CG1 3.8Å; V253-V275 HydrophobicContact CG2-CG1 3.77Å; R256-V275 HydrophobicContact CB-CG2 4.36Å; L273-V275 HydrophobicContact CD2-CG2 4.44Å; L273-V275 HydrophobicContact CG-CG2 4.15Å; V275-R277 HydrophobicContact CG1-CG 4.19Å; V275-H284 PolarHBondContact N-O 3.36Å; V275-H284 PolarHBondContact O-N 2.95Å; V275-Y286 HydrophobicContact CB-CE2 3.98Å; V275-Y286 HydrophobicContact CG2-CD2 3.91Å; V275-Y286 HydrophobicContact CG2-CE2 3.57Å |
| 276 | L | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.8 | 171.4 | 175 | 62.6 | 0 | 0 | 0 | 108.8 | V254 K255 L283 L301 W350 A353 I354 | V254-L276 HydrophobicContact CB-CD2 4.21Å; V254-L276 HydrophobicContact CB-CG 4.12Å; V254-L276 HydrophobicContact CG1-CD2 4.19Å; V254-L276 PolarHBondContact N-O 2.98Å; K255-L276 HydrophobicContact CB-CB 4.16Å; K255-L276 HydrophobicContact CB-CD2 4.21Å; K255-L276 PolarHBondContact N-O 3.24Å; K255-L276 PolarHBondContact O-N 2.79Å; L276-L283 HydrophobicContact CB-CD1 4.1Å; L276-L301 HydrophobicContact CD1-CD1 3.18Å; L276-W350 HydrophobicContact CB-CZ3 3.97Å; L276-A353 HydrophobicContact CD2-CB 3.81Å; L276-I354 HydrophobicContact CD1-CG1 4.47Å; L276-I354 HydrophobicContact CD2-CG1 4.44Å |
| 277 | R | 89.2 | Confident | 90.5 | Very high | 41 Ų | 41 | 37 Ų | 37 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.3 | 177 | -62.7 | 177.4 | -175.6 | -85.9 | -0.5 | 110.1 | L249 G251 K252 V253 V275 D281 F282 | L249-R277 PolarHBondContact O-NH1 3.24Å; G251-R277 WeakPolarHBondContact O-CD 3.47Å; G251-R277 PolarHBondContact O-NH1 2.69Å; K252-R277 CarbonylContact O-C 3.5Å; K252-R277 WeakPolarHBondContact O-CA 3.28Å; V253-R277 HydrophobicContact CG2-CG 4.41Å; V275-R277 HydrophobicContact CG1-CG 4.19Å; R277-D281 VanDerWaalsContact O-CA 3.32Å; R277-D281 WeakPolarHBondContact O-CA 3.39Å; R277-F282 PolarHBondContact N-O 3.26Å; R277-F282 PolarHBondContact O-N 2.62Å |
| 278 | S | 89.4 | Confident | 90.6 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 12% | 0.119 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.2 | 167.9 | 63.9 | 0 | 0 | 0 | 0 | 110 | G251 K252 V254 P280 H357 | G251-S278 CarbonylContact C-O 3.43Å; G251-S278 VanDerWaalsContact CA-O 3.23Å; G251-S278 WeakPolarHBondContact CA-O 3.16Å; K252-S278 PolarHBondContact N-O 2.89Å; K252-S278 PolarHBondContact O-N 3.46Å; V254-S278 WeakPolarHBondContact CG2-OG 3.43Å; S278-P280 CarbonylContact C-O 3.43Å; S278-H357 VanDerWaalsContact CB-CE1 3.46Å; S278-H357 WeakPolarHBondContact CB-CE1 3.23Å |
| 279 | E | 83.6 | Confident | 90.6 | Very high | 168 Ų | 168 | 32.5 Ų | 32.5 | 79% | 0.785 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 68.5 | 172.2 | -60.4 | 179 | -172.9 | 0 | 0 | 114.5 | G251 | G251-E279 WeakPolarHBondContact CA-O 3.18Š|
| 280 | P | 85.2 | Confident | 90.3 | Very high | 37 Ų | 37 | 37 Ų | 37 | 24% | 0.24 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.8 | 151.5 | 5.9 | 33.8 | -35.4 | 0 | 0 | 0 | 113.6 | V247 S278 F282 | V247-P280 VanDerWaalsContact O-CG 3.28Å; V247-P280 WeakPolarHBondContact O-CG 3.46Å; S278-P280 CarbonylContact C-O 3.43Å; P280-F282 HydrophobicContact CB-CD2 3.83Å; P280-F282 HydrophobicContact CB-CE2 3.9Å; P280-F282 HydrophobicContact CG-CD2 3.86Å; P280-F282 HydrophobicContact CG-CE2 4.05Å; P280-F282 PolarHBondContact O-N 2.73Å; P280-F282 VanDerWaalsContact O-N 3.08Å |
| 281 | D | 89.4 | Confident | 89.2 | Confident | 42 Ų | 42 | 36.6 Ų | 36.6 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 100.9 | -178.5 | -54.1 | -63.8 | 0 | 0 | 0 | 111.9 | R277 S300 L301 H357 | R277-D281 VanDerWaalsContact O-CA 3.32Å; R277-D281 WeakPolarHBondContact O-CA 3.39Å; D281-S300 WeakPolarHBondContact O-CA 3.2Å; D281-S300 PolarHBondContact O-OG 2.94Å; D281-L301 HydrophobicContact CB-CB 4.3Å; D281-L301 PolarHBondContact O-N 3.38Å; D281-H357 HydrophobicContact CB-CB 4.05Å; D281-H357 IonicContact OD1-CE1 3.71Å; D281-H357 IonicContact OD1-CG 3.56Å; D281-H357 IonicContact OD1-ND1 2.77Å; D281-H357 PolarHBondContact OD1-ND1 3.29Å |
| 282 | F | 91.4 | Very high | 88.1 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 10% | 0.101 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.2 | -177.2 | -87.1 | -101.8 | 0 | 0 | 0 | 111.7 | E248 R277 P280 H284 F299 | E248-F282 HydrophobicContact CB-CD1 4.16Å; E248-F282 HydrophobicContact CB-CE1 3.91Å; E248-F282 HydrophobicContact CB-CE2 4.4Å; E248-F282 HydrophobicContact CB-CZ 4.05Å; E248-F282 HydrophobicContact CG-CD1 4.41Å; E248-F282 HydrophobicContact CG-CE1 3.66Å; E248-F282 HydrophobicContact CG-CE2 4.15Å; E248-F282 HydrophobicContact CG-CZ 3.52Å; R277-F282 PolarHBondContact N-O 3.26Å; R277-F282 PolarHBondContact O-N 2.62Å; P280-F282 HydrophobicContact CB-CD2 3.83Å; P280-F282 HydrophobicContact CB-CE2 3.9Å; P280-F282 HydrophobicContact CG-CD2 3.86Å; P280-F282 HydrophobicContact CG-CE2 4.05Å; P280-F282 PolarHBondContact O-N 2.73Å; P280-F282 VanDerWaalsContact O-N 3.08Å; F282-H284 WeakPolarHBondContact CB-CE1 3.41Å; F282-H284 AromaticContact CD1-CE1 3.87Å; F282-H284 AromaticContact CD1-NE2 3.96Å; F282-H284 AromaticContact CG-CE1 3.88Å; F282-F299 WeakPolarHBondContact CA-O 3.27Å; F282-F299 VanDerWaalsContact CD1-C 3.45Å |
| 283 | L | 93.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.3 | 168.8 | -172.6 | 62.1 | 0 | 0 | 0 | 109.5 | F274 L276 G298 F299 L301 I329 W350 I354 | F274-L283 HydrophobicContact CB-CD1 4.41Å; F274-L283 HydrophobicContact CD1-CD1 4.05Å; F274-L283 HydrophobicContact CD1-CD2 4.04Å; F274-L283 HydrophobicContact CD1-CG 3.97Å; F274-L283 HydrophobicContact CE1-CD2 4.34Å; L276-L283 HydrophobicContact CB-CD1 4.1Å; L283-G298 CarbonylContact O-C 3.53Å; L283-G298 WeakPolarHBondContact O-CA 3.48Å; L283-F299 HydrophobicContact CB-CE2 4.22Å; L283-F299 HydrophobicContact CB-CZ 4.23Å; L283-F299 HydrophobicContact CD2-CE2 4.3Å; L283-F299 HydrophobicContact CD2-CZ 3.8Å; L283-F299 HydrophobicContact CG-CZ 4.4Å; L283-F299 PolarHBondContact N-O 3.25Å; L283-F299 PolarHBondContact O-N 2.94Å; L283-L301 HydrophobicContact CB-CD1 4.34Å; L283-L301 HydrophobicContact CB-CD2 3.9Å; L283-L301 HydrophobicContact CB-CG 4.18Å; L283-I329 HydrophobicContact CD2-CD1 3.71Å; L283-W350 HydrophobicContact CD1-CZ3 4.07Å; L283-I354 HydrophobicContact CD2-CD1 3.99Å |
| 284 | H | 92.5 | Very high | 86 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 152.6 | 176.3 | -66 | 95.5 | 0 | 0 | 0 | 110.8 | E248 F274 V275 F282 Y286 P295 | E248-H284 PolarHBondContact O-CE1 3.14Å; F274-H284 CarbonylContact C-O 3.52Å; F274-H284 WeakPolarHBondContact CA-O 3.23Å; V275-H284 PolarHBondContact N-O 3.36Å; V275-H284 PolarHBondContact O-N 2.95Å; F282-H284 WeakPolarHBondContact CB-CE1 3.41Å; F282-H284 AromaticContact CD1-CE1 3.87Å; F282-H284 AromaticContact CD1-NE2 3.96Å; F282-H284 AromaticContact CG-CE1 3.88Å; H284-Y286 HydrophobicContact CB-CE2 3.72Å; H284-P295 HydrophobicContact CB-CB 4.32Å |
| 285 | Y | 92.3 | Very high | 85.4 | Confident | 25 Ų | 25 | 47.6 Ų | 47.6 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.4 | 171.6 | 59.3 | -94.5 | 0 | 0 | 0 | 112.4 | K261 R272 L273 F274 V296 G297 Y337 | K261-Y285 HydrophobicContact CD-CD1 4.34Å; K261-Y285 HydrophobicContact CD-CD2 4.12Å; K261-Y285 HydrophobicContact CD-CE1 4.34Å; K261-Y285 HydrophobicContact CD-CE2 4.14Å; K261-Y285 HydrophobicContact CD-CG 4.24Å; R272-Y285 HydrophobicContact CG-CD2 4.44Å; L273-Y285 CarbonylContact O-C 3.48Å; L273-Y285 VanDerWaalsContact O-CA 3.22Å; L273-Y285 WeakPolarHBondContact O-CA 3.5Å; F274-Y285 HydrophobicContact CE1-CD1 4.1Å; F274-Y285 HydrophobicContact CE1-CG 4.29Å; F274-Y285 HydrophobicContact CZ-CG 4.47Å; Y285-V296 HydrophobicContact CD2-CB 4Å; Y285-V296 HydrophobicContact CD2-CG1 4.44Å; Y285-V296 HydrophobicContact CE2-CB 3.87Å; Y285-V296 HydrophobicContact CE2-CG1 3.92Å; Y285-V296 PolarHBondContact O-N 2.91Å; Y285-G297 WeakPolarHBondContact CD1-O 3.46Å; Y285-G297 PolarHBondContact N-O 2.92Å; Y285-G297 PolarHBondContact O-N 2.86Å; Y285-Y337 AromaticContact CE1-CE1 3.93Å; Y285-Y337 HydrophobicContact CE1-CE1 3.93Å |
| 286 | Y | 89.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 157.5 | -172.6 | -57.3 | -102.2 | 0 | 0 | 0 | 110.6 | R272 L273 V275 H284 P288 I293 S294 P295 | R272-Y286 WeakPolarHBondContact CA-O 3.41Å; R272-Y286 WeakPolarHBondContact CD-O 3.16Å; L273-Y286 PolarHBondContact N-O 2.87Å; L273-Y286 PolarHBondContact O-N 2.8Å; V275-Y286 HydrophobicContact CB-CE2 3.98Å; V275-Y286 HydrophobicContact CG2-CD2 3.91Å; V275-Y286 HydrophobicContact CG2-CE2 3.57Å; H284-Y286 HydrophobicContact CB-CE2 3.72Å; Y286-P288 VanDerWaalsContact O-CD 3.22Å; Y286-P288 WeakPolarHBondContact O-CD 3.22Å; Y286-I293 VanDerWaalsContact CE1-O 3.22Å; Y286-I293 WeakPolarHBondContact CE1-O 3.49Å; Y286-S294 WeakPolarHBondContact CD1-O 3.36Å; Y286-P295 VanDerWaalsContact CD1-CA 3.42Å; Y286-P295 HydrophobicContact CD1-CB 4.02Å; Y286-P295 VanDerWaalsContact CE1-CA 3.49Å; Y286-P295 HydrophobicContact CE1-CB 3.64Å; Y286-P295 HydrophobicContact CE1-CG 4.2Å; Y286-P295 VanDerWaalsContact CE1-N 3.33Å; Y286-P295 HydrophobicContact CE2-CB 4.37Å |
| 287 | D | 90.4 | Very high | 85 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | trans | -86.9 | 102.7 | 167.8 | -160 | -40.1 | 0 | 0 | 0 | 108.7 | R272 T289 K290 V296 | R272-D287 IonicContact CZ-OD2 2.66Å; R272-D287 VanDerWaalsContact CZ-OD2 3.23Å; R272-D287 IonicContact NH1-OD1 2.79Å; R272-D287 PolarHBondContact NH1-OD1 3.35Å; R272-D287 IonicContact NH1-OD2 3.24Å; R272-D287 PolarHBondContact NH1-OD2 2.79Å; R272-D287 IonicContact NH2-OD2 2.79Å; R272-D287 PolarHBondContact NH2-OD2 3.27Å; D287-T289 PolarHBondContact O-N 3.39Å; D287-T289 WeakPolarHBondContact OD1-CB 3.28Å; D287-T289 PolarHBondContact OD1-N 2.87Å; D287-T289 PolarHBondContact OD1-OG1 2.87Å; D287-K290 HydrophobicContact CB-CB 4.49Å; D287-K290 HydrophobicContact CB-CG 4.04Å; D287-K290 PolarHBondContact O-N 2.95Å; D287-K290 VanDerWaalsContact O-N 3.08Å; D287-V296 HydrophobicContact CB-CG2 3.73Å; D287-V296 VanDerWaalsContact N-CG2 3.35Å | ||
| 288 | P | 87.6 | Confident | 84.9 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -6.5 | -172.4 | 33.1 | -38.8 | 0 | 0 | 0 | 112.8 | V16 R72 Y258 L273 Y286 | V16-P288 WeakPolarHBondContact CG1-O 3.46Å; V16-P288 HydrophobicContact CG2-CB 3.82Å; R72-P288 PolarHBondContact NH1-O 2.8Å; R72-P288 PolarHBondContact NH2-O 3.26Å; Y258-P288 HydrophobicContact CD1-CB 4.3Å; Y258-P288 HydrophobicContact CD1-CG 4.4Å; Y258-P288 HydrophobicContact CE1-CB 3.65Å; Y258-P288 HydrophobicContact CE1-CG 4.22Å; L273-P288 HydrophobicContact CB-CB 4.38Å; Y286-P288 VanDerWaalsContact O-CD 3.22Å; Y286-P288 WeakPolarHBondContact O-CD 3.22Å |
| 289 | T | 88.1 | Confident | 85 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -5.6 | 177.5 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | W25 D287 | W25-T289 VanDerWaalsContact O-CB 3.23Å; W25-T289 WeakPolarHBondContact O-CB 3.5Å; W25-T289 WeakPolarHBondContact O-CG2 3.36Å; D287-T289 PolarHBondContact O-N 3.39Å; D287-T289 WeakPolarHBondContact OD1-CB 3.28Å; D287-T289 PolarHBondContact OD1-N 2.87Å; D287-T289 PolarHBondContact OD1-OG1 2.87Å |
| 290 | K | 82 | Confident | 85.4 | Confident | 132 Ų | 132 | 43.9 Ų | 43.9 | 57% | 0.574 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -106 | 150.5 | 178.1 | -61.5 | -61.3 | -174.2 | 174.6 | 0 | 109.2 | R72 D287 D292 | R72-K290 VanDerWaalsContact NH2-C 3.26Å; R72-K290 PolarHBondContact NH2-O 3.28Å; D287-K290 HydrophobicContact CB-CB 4.49Å; D287-K290 HydrophobicContact CB-CG 4.04Å; D287-K290 PolarHBondContact O-N 2.95Å; D287-K290 VanDerWaalsContact O-N 3.08Å; K290-D292 HydrophobicContact CB-CB 4.25Å |
| 291 | D | 68.1 | Low | 85.6 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -85.6 | -1.5 | 171.9 | -55.7 | -39.9 | 0 | 0 | 0 | 111.3 | N71 R72 I293 | N71-D291 HydrophobicContact CB-CB 4.37Å; R72-D291 IonicContact CZ-OD1 3.55Å; R72-D291 VanDerWaalsContact CZ-OD1 3.24Å; R72-D291 IonicContact NE-OD1 3.07Å; R72-D291 PolarHBondContact NE-OD1 2.86Å; R72-D291 IonicContact NH2-OD1 3.86Å; R72-D291 PolarHBondContact NH2-OD1 3.09Å; D291-I293 PolarHBondContact O-N 2.86Å |
| 292 | D | 67.8 | Low | 85.6 | Confident | 96 Ų | 96 | 49 Ų | 49 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | trans | -69.8 | 122.5 | 172 | -174.3 | 4.4 | 0 | 0 | 0 | 110.2 | K290 S294 | K290-D292 HydrophobicContact CB-CB 4.25Å; D292-S294 PolarHBondContact O-N 2.91Å; D292-S294 WeakPolarHBondContact OD1-CB 3.22Å; D292-S294 PolarHBondContact OD1-N 3Å; D292-S294 PolarHBondContact OD1-OG 3.45Å; D292-S294 VanDerWaalsContact OD1-OG 3.14Å; D292-S294 PolarHBondContact OD2-OG 3.11Å | ||
| 293 | I | 68.7 | Low | 85.5 | Confident | 132 Ų | 132 | 50 Ų | 50 | 68% | 0.677 | 27% | 0.272 | S | S | * | . | trans | -80.1 | 0.7 | 175.3 | 62.2 | 171.5 | 0 | 0 | 0 | 112.6 | Y286 D291 | Y286-I293 VanDerWaalsContact CE1-O 3.22Å; Y286-I293 WeakPolarHBondContact CE1-O 3.49Å; D291-I293 PolarHBondContact O-N 2.86Å | ||
| 294 | S | 75.9 | Confident | 85.5 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -77.2 | 136.9 | 176.8 | 86.5 | 0 | 0 | 0 | 0 | 111.8 | Y286 D292 | Y286-S294 WeakPolarHBondContact CD1-O 3.36Å; D292-S294 PolarHBondContact O-N 2.91Å; D292-S294 WeakPolarHBondContact OD1-CB 3.22Å; D292-S294 PolarHBondContact OD1-N 3Å; D292-S294 PolarHBondContact OD1-OG 3.45Å; D292-S294 VanDerWaalsContact OD1-OG 3.14Å; D292-S294 PolarHBondContact OD2-OG 3.11Å |
| 295 | P | 83.3 | Confident | 85.6 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | trans | -68.1 | 140 | 174.3 | 28.9 | -36 | 0 | 0 | 0 | 110.9 | L244 L249 H284 Y286 G297 | L244-P295 HydrophobicContact CD1-CB 4.19Å; L244-P295 HydrophobicContact CD1-CG 3.52Å; L249-P295 HydrophobicContact CD2-CG 4.07Å; H284-P295 HydrophobicContact CB-CB 4.32Å; Y286-P295 VanDerWaalsContact CD1-CA 3.42Å; Y286-P295 HydrophobicContact CD1-CB 4.02Å; Y286-P295 VanDerWaalsContact CE1-CA 3.49Å; Y286-P295 HydrophobicContact CE1-CB 3.64Å; Y286-P295 HydrophobicContact CE1-CG 4.2Å; Y286-P295 VanDerWaalsContact CE1-N 3.33Å; Y286-P295 HydrophobicContact CE2-CB 4.37Å; P295-G297 PolarHBondContact O-N 3.03Å | ||
| 296 | V | 88.4 | Confident | 85.8 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -68.6 | -25.1 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | Y285 D287 | Y285-V296 HydrophobicContact CD2-CB 4Å; Y285-V296 HydrophobicContact CD2-CG1 4.44Å; Y285-V296 HydrophobicContact CE2-CB 3.87Å; Y285-V296 HydrophobicContact CE2-CG1 3.92Å; Y285-V296 PolarHBondContact O-N 2.91Å; D287-V296 HydrophobicContact CB-CG2 3.73Å; D287-V296 VanDerWaalsContact N-CG2 3.35Å |
| 297 | G | 87.2 | Confident | 86 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 175 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y285 P295 | Y285-G297 WeakPolarHBondContact CD1-O 3.46Å; Y285-G297 PolarHBondContact N-O 2.92Å; Y285-G297 PolarHBondContact O-N 2.86Å; P295-G297 PolarHBondContact O-N 3.03Å |
| 298 | G | 89 | Confident | 86.1 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 170.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | L283 | L283-G298 CarbonylContact O-C 3.53Å; L283-G298 WeakPolarHBondContact O-CA 3.48Å |
| 299 | F | 90.3 | Very high | 86.2 | Confident | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 149.9 | 175.7 | 52.3 | -89.5 | 0 | 0 | 0 | 110.2 | F282 L283 L301 I329 T331 Y337 | F282-F299 WeakPolarHBondContact CA-O 3.27Å; F282-F299 VanDerWaalsContact CD1-C 3.45Å; L283-F299 HydrophobicContact CB-CE2 4.22Å; L283-F299 HydrophobicContact CB-CZ 4.23Å; L283-F299 HydrophobicContact CD2-CE2 4.3Å; L283-F299 HydrophobicContact CD2-CZ 3.8Å; L283-F299 HydrophobicContact CG-CZ 4.4Å; L283-F299 PolarHBondContact N-O 3.25Å; L283-F299 PolarHBondContact O-N 2.94Å; F299-L301 HydrophobicContact CD2-CD2 4.35Å; F299-L301 HydrophobicContact CE2-CD2 3.88Å; F299-I329 HydrophobicContact CE2-CD1 4.47Å; F299-I329 HydrophobicContact CE2-CG2 3.84Å; F299-I329 HydrophobicContact CZ-CB 4.47Å; F299-I329 HydrophobicContact CZ-CD1 4.08Å; F299-I329 HydrophobicContact CZ-CG2 4.18Å; F299-T331 HydrophobicContact CB-CG2 4.08Å; F299-T331 HydrophobicContact CD1-CG2 4.45Å; F299-T331 HydrophobicContact CD2-CG2 3.62Å; F299-T331 HydrophobicContact CE2-CG2 4.11Å; F299-T331 HydrophobicContact CG-CG2 3.8Å; F299-Y337 HydrophobicContact CD1-CD1 4.34Å; F299-Y337 HydrophobicContact CD1-CD2 4.28Å; F299-Y337 AromaticContact CD1-CE1 3.78Å; F299-Y337 HydrophobicContact CD1-CE1 3.78Å; F299-Y337 AromaticContact CD1-CE2 3.72Å; F299-Y337 HydrophobicContact CD1-CE2 3.72Å; F299-Y337 AromaticContact CD1-CZ 3.45Å; F299-Y337 VanDerWaalsContact CD1-CZ 3.45Å; F299-Y337 AromaticContact CE1-CD1 3.64Å; F299-Y337 HydrophobicContact CE1-CD1 3.64Å; F299-Y337 AromaticContact CE1-CD2 3.84Å; F299-Y337 HydrophobicContact CE1-CD2 3.84Å; F299-Y337 AromaticContact CE1-CE1 3.53Å; F299-Y337 HydrophobicContact CE1-CE1 3.53Å; F299-Y337 AromaticContact CE1-CE2 3.75Å; F299-Y337 HydrophobicContact CE1-CE2 3.75Å; F299-Y337 AromaticContact CE1-CG 3.8Å; F299-Y337 HydrophobicContact CE1-CG 3.8Å; F299-Y337 AromaticContact CE1-CZ 3.6Å; F299-Y337 HydrophobicContact CG-CE2 4.3Å; F299-Y337 HydrophobicContact CZ-CD1 4.35Å; F299-Y337 HydrophobicContact CZ-CD2 4.07Å; F299-Y337 HydrophobicContact CZ-CE2 4.33Å; F299-Y337 HydrophobicContact CZ-CG 4.1Å |
| 300 | S | 91.3 | Very high | 85.7 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.8 | 171.4 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | D281 R302 C304 | D281-S300 WeakPolarHBondContact O-CA 3.2Å; D281-S300 PolarHBondContact O-OG 2.94Å; S300-R302 PolarHBondContact OG-N 3.4Å; S300-C304 PolarHBondContact O-SG 3.03Å |
| 301 | L | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -79.7 | -19.9 | 178.6 | -70.5 | 174.4 | 0 | 0 | 0 | 113.2 | L276 D281 L283 F299 G303 C304 I354 H357 T358 | L276-L301 HydrophobicContact CD1-CD1 3.18Å; D281-L301 HydrophobicContact CB-CB 4.3Å; D281-L301 PolarHBondContact O-N 3.38Å; L283-L301 HydrophobicContact CB-CD1 4.34Å; L283-L301 HydrophobicContact CB-CD2 3.9Å; L283-L301 HydrophobicContact CB-CG 4.18Å; F299-L301 HydrophobicContact CD2-CD2 4.35Å; F299-L301 HydrophobicContact CE2-CD2 3.88Å; L301-G303 PolarHBondContact O-N 2.82Å; L301-G303 VanDerWaalsContact O-N 3.15Å; L301-C304 WeakPolarHBondContact O-CB 3.09Å; L301-C304 PolarHBondContact O-N 3.43Å; L301-C304 PolarHBondContact O-SG 3.3Å; L301-I354 HydrophobicContact CD1-CG2 4.38Å; L301-I354 HydrophobicContact CD2-CG2 3.88Å; L301-H357 HydrophobicContact CB-CB 4.33Å; L301-H357 VanDerWaalsContact CB-O 3.27Å; L301-H357 WeakPolarHBondContact CB-O 3.29Å; L301-H357 HydrophobicContact CD1-CB 3.79Å; L301-T358 HydrophobicContact CB-CG2 4.44Å; L301-T358 WeakPolarHBondContact O-CA 3.39Å | ||
| 302 | R | 89.9 | Confident | 84.9 | Confident | 186 Ų | 186 | 62.8 Ų | 62.8 | 70% | 0.702 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 119.2 | 180 | -174.8 | -179.3 | -67.9 | -179.6 | -1.4 | 111.9 | S300 C304 | S300-R302 PolarHBondContact OG-N 3.4Å; R302-C304 VanDerWaalsContact C-N 3.28Å |
| 303 | G | 89.2 | Confident | 84.9 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 19.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L301 T358 | L301-G303 PolarHBondContact O-N 2.82Å; L301-G303 VanDerWaalsContact O-N 3.15Å; G303-T358 PolarHBondContact N-OXT 3.02Å |
| 304 | C | 93.9 | Very high | 85.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | trans | -81 | 147.8 | 169.2 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | S300 L301 R302 I329 I330 T358 | S300-C304 PolarHBondContact O-SG 3.03Å; L301-C304 WeakPolarHBondContact O-CB 3.09Å; L301-C304 PolarHBondContact O-N 3.43Å; L301-C304 PolarHBondContact O-SG 3.3Å; R302-C304 VanDerWaalsContact C-N 3.28Å; C304-I329 HydrophobicContact CB-CG2 3.92Å; C304-I330 CarbonylContact C-O 3.58Å; C304-I330 WeakPolarHBondContact CA-O 3.44Å; C304-I330 WeakPolarHBondContact CB-O 3.16Å; C304-T358 HydrophobicContact CB-CG2 4Å; C304-T358 WeakPolarHBondContact O-CB 3.38Å | ||
| 305 | L | 94.9 | Very high | 85.3 | Confident | 112 Ų | 112 | 54.6 Ų | 54.6 | 59% | 0.586 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.8 | 171 | -58.9 | 175.8 | 0 | 0 | 0 | 108.9 | I329 I330 | L305-I329 CarbonylContact O-C 3.53Å; L305-I329 WeakPolarHBondContact O-CA 3.48Å; L305-I330 HydrophobicContact CB-CB 4.3Å; L305-I330 PolarHBondContact N-O 2.81Å; L305-I330 PolarHBondContact O-N 2.97Å |
| 306 | I | 95.4 | Very high | 85.1 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.3 | 175.5 | -171.9 | 160.8 | 0 | 0 | 0 | 110.9 | F327 K328 I329 I351 I354 R355 | I306-F327 HydrophobicContact CD1-CD2 4.02Å; I306-F327 HydrophobicContact CD1-CE2 4.28Å; I306-F327 HydrophobicContact CG1-CD2 4.36Å; I306-K328 WeakPolarHBondContact CA-O 3.38Å; I306-I329 HydrophobicContact CD1-CD1 4.48Å; I306-I329 HydrophobicContact CD1-CG1 4.07Å; I306-I329 HydrophobicContact CG1-CG1 4.17Å; I306-I351 HydrophobicContact CD1-CB 4.24Å; I306-I351 HydrophobicContact CD1-CG1 4.01Å; I306-I351 HydrophobicContact CD1-CG2 4.35Å; I306-I351 HydrophobicContact CG1-CG1 4.3Å; I306-I351 HydrophobicContact CG1-CG2 4.44Å; I306-I354 HydrophobicContact CD1-CB 3.78Å; I306-I354 HydrophobicContact CD1-CD1 3.92Å; I306-I354 HydrophobicContact CD1-CG1 4.46Å; I306-I354 HydrophobicContact CD1-CG2 3.72Å; I306-R355 HydrophobicContact CG2-CG 3.52Å |
| 307 | S | 93.8 | Very high | 84.6 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.8 | -179.7 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | F327 K328 | S307-F327 WeakPolarHBondContact O-CA 3.38Å; S307-F327 WeakPolarHBondContact O-CB 3.39Å; S307-K328 PolarHBondContact N-O 2.96Å; S307-K328 PolarHBondContact O-N 3.32Å |
| 308 | S | 93.1 | Very high | 84.4 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 139.9 | 162 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | K347 | S308-K347 WeakPolarHBondContact OG-CE 3.27Å; S308-K347 PolarHBondContact OG-NZ 3.15Å |
| 309 | L | 89.1 | Confident | 84 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | trans | -105.8 | 131.7 | 169.4 | -59.6 | 176.3 | 0 | 0 | 0 | 108.1 | P315 V318 L326 K328 F338 K347 | L309-P315 HydrophobicContact CB-CB 4.31Å; L309-P315 HydrophobicContact CB-CG 3.82Å; L309-P315 HydrophobicContact CD1-CB 3.99Å; L309-P315 HydrophobicContact CD1-CG 4.07Å; L309-P315 HydrophobicContact CD2-CB 4.34Å; L309-P315 HydrophobicContact CG-CB 4.45Å; L309-P315 HydrophobicContact CG-CG 4.43Å; L309-V318 HydrophobicContact CD1-CG2 4.45Å; L309-L326 HydrophobicContact CB-CB 3.94Å; L309-L326 HydrophobicContact CD1-CB 4.19Å; L309-L326 PolarHBondContact N-O 3.12Å; L309-K328 HydrophobicContact CD1-CB 3.87Å; L309-K328 HydrophobicContact CD2-CB 4.11Å; L309-K328 HydrophobicContact CD2-CD 4.39Å; L309-K328 HydrophobicContact CG-CB 4.08Å; L309-F338 HydrophobicContact CD1-CD1 3.85Å; L309-F338 HydrophobicContact CD1-CE1 4.18Å; L309-K347 PolarHBondContact O-NZ 3.46Å | ||
| 310 | D | 77 | Confident | 83.3 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | trans | -77.8 | 157.7 | -177.3 | -57.2 | -32.7 | 0 | 0 | 0 | 111.6 | N312 | D310-N312 PolarHBondContact O-N 2.87Š| ||
| 311 | D | 67.9 | Low | 82.4 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -86.5 | 11.2 | -175.9 | -65.1 | -32.6 | 0 | 0 | 0 | 113.5 | G313 G324 | D311-G313 PolarHBondContact O-N 3.05Å; D311-G324 WeakPolarHBondContact OD1-CA 3.1Å; D311-G324 PolarHBondContact OD1-N 3.19Å |
| 312 | N | 65.9 | Low | 81.8 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 86% | 0.861 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -76.9 | 47.9 | -179.5 | -65.9 | -17.7 | 0 | 0 | 0 | 112.5 | D310 | D310-N312 PolarHBondContact O-N 2.87Š|
| 313 | G | 68.4 | Low | 81 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 105.6 | -164.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D311 P315 | D311-G313 PolarHBondContact O-N 3.05Å; G313-P315 WeakPolarHBondContact O-CD 3.23Å |
| 314 | V | 73.6 | Confident | 80.7 | Confident | 63 Ų | 63 | 63 Ų | 63 | 38% | 0.382 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -86.3 | 116.4 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 109 | V318 Q323 | V314-V318 HydrophobicContact CG1-CB 3.81Å; V314-V318 HydrophobicContact CG1-CG1 3.66Å; V314-V318 WeakPolarHBondContact CG1-O 3.45Å; V314-Q323 HydrophobicContact CG2-CG 4.26Å |
| 315 | P | 79.1 | Confident | 80.6 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 14% | 0.143 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 149.8 | -177.9 | -23.8 | 34.1 | 0 | 0 | 0 | 113 | L309 G313 G317 V318 L326 | L309-P315 HydrophobicContact CB-CB 4.31Å; L309-P315 HydrophobicContact CB-CG 3.82Å; L309-P315 HydrophobicContact CD1-CB 3.99Å; L309-P315 HydrophobicContact CD1-CG 4.07Å; L309-P315 HydrophobicContact CD2-CB 4.34Å; L309-P315 HydrophobicContact CG-CB 4.45Å; L309-P315 HydrophobicContact CG-CG 4.43Å; G313-P315 WeakPolarHBondContact O-CD 3.23Å; P315-G317 PolarHBondContact O-N 3.07Å; P315-V318 HydrophobicContact CB-CG2 4.08Å; P315-V318 HydrophobicContact CG-CG2 4.32Å; P315-V318 WeakPolarHBondContact O-CB 3.31Å; P315-V318 PolarHBondContact O-N 3.19Å; P315-L326 HydrophobicContact CG-CD1 4.13Å |
| 316 | S | 78.1 | Confident | 80.4 | Confident | 122 Ų | 122 | 59 Ų | 59 | 85% | 0.853 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 127.5 | 177.6 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | V318 | S316-V318 VanDerWaalsContact C-N 3.35Š|
| 317 | G | 79.8 | Confident | 80.4 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -11.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q262 P315 | Q262-G317 PolarHBondContact NE2-O 3.34Å; P315-G317 PolarHBondContact O-N 3.07Å |
| 318 | V | 82.4 | Confident | 80.5 | Confident | 10 Ų | 10 | 58 Ų | 58 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | trans | -78.5 | 128.4 | 166.3 | 172.6 | 0 | 0 | 0 | 0 | 108.9 | W269 L309 V314 P315 S316 I322 L326 F338 | W269-V318 HydrophobicContact CZ2-CG1 3.82Å; W269-V318 HydrophobicContact CZ2-CG2 4.47Å; L309-V318 HydrophobicContact CD1-CG2 4.45Å; V314-V318 HydrophobicContact CG1-CB 3.81Å; V314-V318 HydrophobicContact CG1-CG1 3.66Å; V314-V318 WeakPolarHBondContact CG1-O 3.45Å; P315-V318 HydrophobicContact CB-CG2 4.08Å; P315-V318 HydrophobicContact CG-CG2 4.32Å; P315-V318 WeakPolarHBondContact O-CB 3.31Å; P315-V318 PolarHBondContact O-N 3.19Å; S316-V318 VanDerWaalsContact C-N 3.35Å; V318-I322 HydrophobicContact CG1-CB 4.4Å; V318-L326 HydrophobicContact CG1-CD1 4.49Å; V318-L326 HydrophobicContact CG2-CD1 4.44Å; V318-F338 HydrophobicContact CG2-CB 4.33Å; V318-F338 HydrophobicContact CG2-CD1 3.37Å; V318-F338 HydrophobicContact CG2-CE1 3.84Å; V318-F338 HydrophobicContact CG2-CG 4Å | ||
| 319 | K | 80.9 | Confident | 80.6 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | trans | -111.7 | 139.2 | 176.3 | -73.7 | -68.9 | -172.5 | -177.9 | 0 | 109.6 | K267 W269 | K267-K319 HydrophobicContact CB-CB 3.87Å; K267-K319 HydrophobicContact CB-CG 3.99Å; K267-K319 HydrophobicContact CG-CG 4.16Å; W269-K319 PolarHBondContact NE1-O 2.99Å | ||
| 320 | G | 74.6 | Confident | 80.8 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 97.8 | 163.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I322 | G320-I322 PolarHBondContact O-N 3.07Š|
| 321 | N | 73.1 | Confident | 81.6 | Confident | 117 Ų | 117 | 51 Ų | 51 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -81.6 | 58.1 | 178.3 | -166.7 | 19.1 | 0 | 0 | 0 | 110.8 | ||
| 322 | I | 76.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -104 | 125.9 | -178.9 | -54.4 | -151.8 | 0 | 0 | 0 | 108.6 | G44 W269 V318 G320 L326 Q340 | G44-I322 VanDerWaalsContact C-CD1 3.45Å; G44-I322 WeakPolarHBondContact O-CG1 3.41Å; W269-I322 HydrophobicContact CB-CD1 3.89Å; W269-I322 HydrophobicContact CD2-CD1 3.36Å; W269-I322 VanDerWaalsContact CE2-CD1 3.47Å; W269-I322 HydrophobicContact CE3-CD1 4.09Å; W269-I322 HydrophobicContact CG-CD1 3.22Å; W269-I322 HydrophobicContact CZ2-CD1 4.25Å; V318-I322 HydrophobicContact CG1-CB 4.4Å; G320-I322 PolarHBondContact O-N 3.07Å; I322-L326 HydrophobicContact CG2-CD1 4.27Å; I322-L326 HydrophobicContact CG2-CD2 4.08Å; I322-L326 HydrophobicContact CG2-CG 4.45Å; I322-Q340 HydrophobicContact CG2-CG 4.48Å | ||
| 323 | Q | 73.8 | Confident | 83.6 | Confident | 99 Ų | 99 | 51 Ų | 51 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | trans | -142.4 | 159.2 | -179.4 | -65.4 | 179.2 | -17.5 | 0 | 0 | 109 | V314 Q340 | V314-Q323 HydrophobicContact CG2-CG 4.26Å; Q323-Q340 PolarHBondContact O-NE2 2.88Å; Q323-Q340 VanDerWaalsContact O-NE2 3.09Å | ||
| 324 | G | 83.9 | Confident | 84.6 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 19% | 0.186 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 83.6 | 135.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D311 L326 Q340 | D311-G324 WeakPolarHBondContact OD1-CA 3.1Å; D311-G324 PolarHBondContact OD1-N 3.19Å; G324-L326 PolarHBondContact O-N 2.85Å; G324-L326 VanDerWaalsContact O-N 3.12Å; G324-Q340 VanDerWaalsContact O-CG 3.29Å; G324-Q340 WeakPolarHBondContact O-CG 3.32Å; G324-Q340 PolarHBondContact O-NE2 2.77Å |
| 325 | N | 90.3 | Very high | 85.4 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 17% | 0.171 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 57.6 | 29.8 | 167.4 | -52 | -31.1 | 0 | 0 | 0 | 114.9 | Q340 A341 P342 T343 H344 K347 | N325-Q340 HydrophobicContact CB-CG 4.49Å; N325-Q340 WeakPolarHBondContact O-CA 3.3Å; N325-A341 WeakPolarHBondContact CB-O 3.17Å; N325-A341 PolarHBondContact O-N 2.83Å; N325-P342 PolarHBondContact ND2-O 3.3Å; N325-P342 VanDerWaalsContact ND2-O 3.14Å; N325-T343 VanDerWaalsContact CG-C 3.42Å; N325-T343 WeakPolarHBondContact ND2-CA 3.41Å; N325-H344 PolarHBondContact ND2-N 3.45Å; N325-H344 WeakPolarHBondContact OD1-CA 3.2Å; N325-H344 WeakPolarHBondContact OD1-CB 3.33Å; N325-H344 PolarHBondContact OD1-N 3.38Å; N325-H344 VanDerWaalsContact OD1-N 3.15Å; N325-K347 HydrophobicContact CB-CB 4.36Å; N325-K347 HydrophobicContact CB-CD 4.47Å |
| 326 | L | 92.4 | Very high | 86.1 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 144.5 | 178.1 | -73 | 167 | 0 | 0 | 0 | 112.5 | W269 L309 P315 V318 I322 G324 I339 Q340 K347 | W269-L326 HydrophobicContact CH2-CD2 3.62Å; W269-L326 HydrophobicContact CZ2-CD2 4.45Å; W269-L326 HydrophobicContact CZ3-CD2 4.17Å; L309-L326 HydrophobicContact CB-CB 3.94Å; L309-L326 HydrophobicContact CD1-CB 4.19Å; L309-L326 PolarHBondContact N-O 3.12Å; P315-L326 HydrophobicContact CG-CD1 4.13Å; V318-L326 HydrophobicContact CG1-CD1 4.49Å; V318-L326 HydrophobicContact CG2-CD1 4.44Å; I322-L326 HydrophobicContact CG2-CD1 4.27Å; I322-L326 HydrophobicContact CG2-CD2 4.08Å; I322-L326 HydrophobicContact CG2-CG 4.45Å; G324-L326 PolarHBondContact O-N 2.85Å; G324-L326 VanDerWaalsContact O-N 3.12Å; L326-I339 WeakPolarHBondContact CA-O 3.17Å; L326-Q340 HydrophobicContact CD2-CB 3.66Å; L326-Q340 HydrophobicContact CD2-CG 3.84Å; L326-Q340 HydrophobicContact CG-CG 4.18Å; L326-K347 WeakPolarHBondContact O-CE 3.22Å; L326-K347 PolarHBondContact O-NZ 2.83Å |
| 327 | F | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 160.5 | 167.5 | 67.3 | -82.3 | 0 | 0 | 0 | 110.7 | L259 I306 S307 I329 I339 K347 W350 I351 I354 | L259-F327 HydrophobicContact CD1-CZ 4.13Å; I306-F327 HydrophobicContact CD1-CD2 4.02Å; I306-F327 HydrophobicContact CD1-CE2 4.28Å; I306-F327 HydrophobicContact CG1-CD2 4.36Å; S307-F327 WeakPolarHBondContact O-CA 3.38Å; S307-F327 WeakPolarHBondContact O-CB 3.39Å; F327-I329 HydrophobicContact CD2-CG1 4.33Å; F327-I329 HydrophobicContact CE2-CD1 4.13Å; F327-I329 HydrophobicContact CE2-CG1 4.3Å; F327-I339 HydrophobicContact CD1-CB 4.26Å; F327-I339 HydrophobicContact CD1-CG2 4.41Å; F327-I339 HydrophobicContact CD2-CB 4.38Å; F327-I339 HydrophobicContact CE1-CB 3.81Å; F327-I339 HydrophobicContact CE1-CG2 3.54Å; F327-I339 HydrophobicContact CE2-CB 3.94Å; F327-I339 HydrophobicContact CE2-CD1 3.88Å; F327-I339 HydrophobicContact CE2-CG1 4.43Å; F327-I339 HydrophobicContact CE2-CG2 4.19Å; F327-I339 HydrophobicContact CZ-CB 3.64Å; F327-I339 HydrophobicContact CZ-CD1 4.07Å; F327-I339 HydrophobicContact CZ-CG1 4.45Å; F327-I339 HydrophobicContact CZ-CG2 3.41Å; F327-I339 VanDerWaalsContact CZ-CG2 3.41Å; F327-I339 PolarHBondContact N-O 3.06Å; F327-I339 PolarHBondContact O-N 3.44Å; F327-I339 VanDerWaalsContact O-O 3.08Å; F327-K347 HydrophobicContact CD1-CG 4.29Å; F327-W350 HydrophobicContact CE1-CB 4.44Å; F327-W350 HydrophobicContact CZ-CB 4.1Å; F327-I351 HydrophobicContact CB-CD1 3.85Å; F327-I351 HydrophobicContact CB-CG1 4.01Å; F327-I351 HydrophobicContact CD2-CG1 4.22Å; F327-I351 HydrophobicContact CG-CD1 4.4Å; F327-I351 HydrophobicContact CG-CG1 4.09Å; F327-I354 HydrophobicContact CE2-CD1 4.25Å |
| 328 | K | 94.9 | Very high | 87.5 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.9 | -175 | 143.2 | -178.1 | 171 | -172.9 | 0 | 110.1 | I306 S307 L309 I330 Y337 F338 | I306-K328 WeakPolarHBondContact CA-O 3.38Å; S307-K328 PolarHBondContact N-O 2.96Å; S307-K328 PolarHBondContact O-N 3.32Å; L309-K328 HydrophobicContact CD1-CB 3.87Å; L309-K328 HydrophobicContact CD2-CB 4.11Å; L309-K328 HydrophobicContact CD2-CD 4.39Å; L309-K328 HydrophobicContact CG-CB 4.08Å; K328-I330 HydrophobicContact CD-CG1 4.31Å; K328-I330 HydrophobicContact CG-CG1 4.15Å; K328-Y337 CarbonylContact C-O 3.49Å; K328-Y337 VanDerWaalsContact CA-O 3.27Å; K328-Y337 WeakPolarHBondContact CA-O 3.14Å; K328-F338 HydrophobicContact CB-CD1 4.37Å; K328-F338 HydrophobicContact CB-CE1 4.49Å; K328-F338 HydrophobicContact CD-CE1 4.35Å |
| 329 | I | 96 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.9 | 170.4 | -52.4 | 169.9 | 0 | 0 | 0 | 108.3 | L283 F299 C304 L305 I306 F327 Y337 I339 I354 | L283-I329 HydrophobicContact CD2-CD1 3.71Å; F299-I329 HydrophobicContact CE2-CD1 4.47Å; F299-I329 HydrophobicContact CE2-CG2 3.84Å; F299-I329 HydrophobicContact CZ-CB 4.47Å; F299-I329 HydrophobicContact CZ-CD1 4.08Å; F299-I329 HydrophobicContact CZ-CG2 4.18Å; C304-I329 HydrophobicContact CB-CG2 3.92Å; L305-I329 CarbonylContact O-C 3.53Å; L305-I329 WeakPolarHBondContact O-CA 3.48Å; I306-I329 HydrophobicContact CD1-CD1 4.48Å; I306-I329 HydrophobicContact CD1-CG1 4.07Å; I306-I329 HydrophobicContact CG1-CG1 4.17Å; F327-I329 HydrophobicContact CD2-CG1 4.33Å; F327-I329 HydrophobicContact CE2-CD1 4.13Å; F327-I329 HydrophobicContact CE2-CG1 4.3Å; I329-Y337 PolarHBondContact N-O 3.23Å; I329-Y337 PolarHBondContact O-N 2.95Å; I329-I339 HydrophobicContact CD1-CD1 3.81Å; I329-I354 HydrophobicContact CD1-CD1 3.83Å |
| 330 | I | 93.8 | Very high | 88.7 | Confident | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.138 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.6 | 171.1 | -46.7 | 178.2 | 0 | 0 | 0 | 107.5 | C304 L305 K328 I335 | C304-I330 CarbonylContact C-O 3.58Å; C304-I330 WeakPolarHBondContact CA-O 3.44Å; C304-I330 WeakPolarHBondContact CB-O 3.16Å; L305-I330 HydrophobicContact CB-CB 4.3Å; L305-I330 PolarHBondContact N-O 2.81Å; L305-I330 PolarHBondContact O-N 2.97Å; K328-I330 HydrophobicContact CD-CG1 4.31Å; K328-I330 HydrophobicContact CG-CG1 4.15Å; I330-I335 WeakPolarHBondContact CA-O 3.34Å |
| 331 | T | 92.7 | Very high | 89.5 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.08 | 22% | 0.216 | C | C | . | . | trans | -76.8 | 163.5 | 174.7 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | F299 S333 D334 I335 Y337 | F299-T331 HydrophobicContact CB-CG2 4.08Å; F299-T331 HydrophobicContact CD1-CG2 4.45Å; F299-T331 HydrophobicContact CD2-CG2 3.62Å; F299-T331 HydrophobicContact CE2-CG2 4.11Å; F299-T331 HydrophobicContact CG-CG2 3.8Å; T331-S333 PolarHBondContact O-N 2.8Å; T331-D334 WeakPolarHBondContact O-CA 3.45Å; T331-D334 PolarHBondContact O-N 3.39Å; T331-I335 HydrophobicContact CG2-CB 4.48Å; T331-I335 PolarHBondContact N-O 3Å; T331-I335 VanDerWaalsContact OG1-CB 3.28Å; T331-I335 WeakPolarHBondContact OG1-CB 3.5Å; T331-I335 PolarHBondContact OG1-N 2.97Å; T331-I335 VanDerWaalsContact OG1-N 3.12Å; T331-I335 PolarHBondContact OG1-O 3.32Å; T331-Y337 HydrophobicContact CG2-CD2 3.95Å; T331-Y337 HydrophobicContact CG2-CE2 3.57Å | ||
| 332 | K | 89.3 | Confident | 90.3 | Very high | 162 Ų | 162 | 36.8 Ų | 36.8 | 70% | 0.704 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -23.2 | 172.8 | 71.4 | -179.9 | -176.4 | -179.1 | 0 | 114.9 | D334 | K332-D334 VanDerWaalsContact C-N 3.29Š|
| 333 | S | 87.6 | Confident | 90.8 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 59% | 0.587 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 19.8 | 177 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | T331 I335 | T331-S333 PolarHBondContact O-N 2.8Å; S333-I335 PolarHBondContact O-N 3.07Å |
| 334 | D | 89.3 | Confident | 91.7 | Very high | 114 Ų | 114 | 39.7 Ų | 39.7 | 61% | 0.61 | 21% | 0.208 | S | C | * | . | trans | 53.6 | 35 | -178.6 | -164.7 | 34.2 | 0 | 0 | 0 | 113.2 | T331 K332 H336 | T331-D334 WeakPolarHBondContact O-CA 3.45Å; T331-D334 PolarHBondContact O-N 3.39Å; K332-D334 VanDerWaalsContact C-N 3.29Å; D334-H336 PolarHBondContact O-CD2 3.01Å; D334-H336 VanDerWaalsContact O-CD2 3.27Å; D334-H336 IonicContact OD1-CD2 2.83Å; D334-H336 IonicContact OD1-CE1 2.98Å; D334-H336 IonicContact OD1-NE2 3.23Å; D334-H336 PolarHBondContact OD1-NE2 3.04Å | ||
| 335 | I | 90.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 36% | 0.359 | 23% | 0.226 | S | C | . | . | trans | -91.3 | 123.2 | 171.2 | -52.5 | 177 | 0 | 0 | 0 | 108.7 | I330 T331 S333 Y337 | I330-I335 WeakPolarHBondContact CA-O 3.34Å; T331-I335 HydrophobicContact CG2-CB 4.48Å; T331-I335 PolarHBondContact N-O 3Å; T331-I335 VanDerWaalsContact OG1-CB 3.28Å; T331-I335 WeakPolarHBondContact OG1-CB 3.5Å; T331-I335 PolarHBondContact OG1-N 2.97Å; T331-I335 VanDerWaalsContact OG1-N 3.12Å; T331-I335 PolarHBondContact OG1-O 3.32Å; S333-I335 PolarHBondContact O-N 3.07Å; I335-Y337 HydrophobicContact CB-CE2 3.95Å; I335-Y337 HydrophobicContact CG2-CD2 4.13Å; I335-Y337 HydrophobicContact CG2-CE2 3.47Å; I335-Y337 VanDerWaalsContact CG2-CE2 3.47Å | ||
| 336 | H | 92.6 | Very high | 92.3 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.2 | -177.4 | -64.5 | -129.4 | 0 | 0 | 0 | 110.7 | H264 D334 F338 | H264-H336 PolarHBondContact CE1-O 3.04Å; H264-H336 VanDerWaalsContact CE1-O 3.26Å; D334-H336 PolarHBondContact O-CD2 3.01Å; D334-H336 VanDerWaalsContact O-CD2 3.27Å; D334-H336 IonicContact OD1-CD2 2.83Å; D334-H336 IonicContact OD1-CE1 2.98Å; D334-H336 IonicContact OD1-NE2 3.23Å; D334-H336 PolarHBondContact OD1-NE2 3.04Å; H336-F338 HydrophobicContact CB-CE2 3.95Å; H336-F338 HydrophobicContact CB-CZ 4.45Å |
| 337 | Y | 94.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.4 | 174.4 | -69.3 | -98.8 | 0 | 0 | 0 | 109 | K261 H264 Y285 F299 K328 I329 T331 I335 | K261-Y337 VanDerWaalsContact CE-CD1 3.44Å; H264-Y337 AromaticContact CE1-CD1 3.75Å; H264-Y337 AromaticContact CE1-CE1 3.62Å; H264-Y337 AromaticContact CE1-CZ 3.76Å; H264-Y337 AromaticContact NE2-CD1 3.52Å; H264-Y337 AromaticContact NE2-CE1 3.11Å; H264-Y337 WeakPolarHBondContact NE2-CE1 3.22Å; H264-Y337 AromaticContact NE2-CZ 3.53Å; Y285-Y337 AromaticContact CE1-CE1 3.93Å; Y285-Y337 HydrophobicContact CE1-CE1 3.93Å; F299-Y337 HydrophobicContact CD1-CD1 4.34Å; F299-Y337 HydrophobicContact CD1-CD2 4.28Å; F299-Y337 AromaticContact CD1-CE1 3.78Å; F299-Y337 HydrophobicContact CD1-CE1 3.78Å; F299-Y337 AromaticContact CD1-CE2 3.72Å; F299-Y337 HydrophobicContact CD1-CE2 3.72Å; F299-Y337 AromaticContact CD1-CZ 3.45Å; F299-Y337 VanDerWaalsContact CD1-CZ 3.45Å; F299-Y337 AromaticContact CE1-CD1 3.64Å; F299-Y337 HydrophobicContact CE1-CD1 3.64Å; F299-Y337 AromaticContact CE1-CD2 3.84Å; F299-Y337 HydrophobicContact CE1-CD2 3.84Å; F299-Y337 AromaticContact CE1-CE1 3.53Å; F299-Y337 HydrophobicContact CE1-CE1 3.53Å; F299-Y337 AromaticContact CE1-CE2 3.75Å; F299-Y337 HydrophobicContact CE1-CE2 3.75Å; F299-Y337 AromaticContact CE1-CG 3.8Å; F299-Y337 HydrophobicContact CE1-CG 3.8Å; F299-Y337 AromaticContact CE1-CZ 3.6Å; F299-Y337 HydrophobicContact CG-CE2 4.3Å; F299-Y337 HydrophobicContact CZ-CD1 4.35Å; F299-Y337 HydrophobicContact CZ-CD2 4.07Å; F299-Y337 HydrophobicContact CZ-CE2 4.33Å; F299-Y337 HydrophobicContact CZ-CG 4.1Å; K328-Y337 CarbonylContact C-O 3.49Å; K328-Y337 VanDerWaalsContact CA-O 3.27Å; K328-Y337 WeakPolarHBondContact CA-O 3.14Å; I329-Y337 PolarHBondContact N-O 3.23Å; I329-Y337 PolarHBondContact O-N 2.95Å; T331-Y337 HydrophobicContact CG2-CD2 3.95Å; T331-Y337 HydrophobicContact CG2-CE2 3.57Å; I335-Y337 HydrophobicContact CB-CE2 3.95Å; I335-Y337 HydrophobicContact CG2-CD2 4.13Å; I335-Y337 HydrophobicContact CG2-CE2 3.47Å; I335-Y337 VanDerWaalsContact CG2-CE2 3.47Å |
| 338 | F | 94.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.2 | 173.1 | -62.4 | -90.8 | 0 | 0 | 0 | 108.8 | Q262 W269 L309 V318 K328 H336 | Q262-F338 HydrophobicContact CB-CB 3.95Å; Q262-F338 PolarHBondContact N-O 2.9Å; W269-F338 HydrophobicContact CH2-CB 3.83Å; W269-F338 HydrophobicContact CZ2-CB 4.25Å; L309-F338 HydrophobicContact CD1-CD1 3.85Å; L309-F338 HydrophobicContact CD1-CE1 4.18Å; V318-F338 HydrophobicContact CG2-CB 4.33Å; V318-F338 HydrophobicContact CG2-CD1 3.37Å; V318-F338 HydrophobicContact CG2-CE1 3.84Å; V318-F338 HydrophobicContact CG2-CG 4Å; K328-F338 HydrophobicContact CB-CD1 4.37Å; K328-F338 HydrophobicContact CB-CE1 4.49Å; K328-F338 HydrophobicContact CD-CE1 4.35Å; H336-F338 HydrophobicContact CB-CE2 3.95Å; H336-F338 HydrophobicContact CB-CZ 4.45Å |
| 339 | I | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.6 | -172.8 | -54.4 | 174.2 | 0 | 0 | 0 | 108.6 | L259 L260 F274 L326 F327 I329 | L259-I339 HydrophobicContact CB-CG2 3.72Å; L259-I339 HydrophobicContact CD1-CG2 3.7Å; L259-I339 HydrophobicContact CG-CG2 4.28Å; L260-I339 CarbonylContact O-C 3.56Å; L260-I339 VanDerWaalsContact O-CA 3.24Å; L260-I339 WeakPolarHBondContact O-CA 3.36Å; L260-I339 WeakPolarHBondContact O-CG2 3.37Å; F274-I339 HydrophobicContact CE1-CD1 3.68Å; F274-I339 HydrophobicContact CE1-CG1 4.45Å; F274-I339 HydrophobicContact CE2-CG2 4.4Å; F274-I339 HydrophobicContact CZ-CD1 3.79Å; F274-I339 HydrophobicContact CZ-CG1 4.07Å; F274-I339 HydrophobicContact CZ-CG2 4.37Å; L326-I339 WeakPolarHBondContact CA-O 3.17Å; F327-I339 HydrophobicContact CD1-CB 4.26Å; F327-I339 HydrophobicContact CD1-CG2 4.41Å; F327-I339 HydrophobicContact CD2-CB 4.38Å; F327-I339 HydrophobicContact CE1-CB 3.81Å; F327-I339 HydrophobicContact CE1-CG2 3.54Å; F327-I339 HydrophobicContact CE2-CB 3.94Å; F327-I339 HydrophobicContact CE2-CD1 3.88Å; F327-I339 HydrophobicContact CE2-CG1 4.43Å; F327-I339 HydrophobicContact CE2-CG2 4.19Å; F327-I339 HydrophobicContact CZ-CB 3.64Å; F327-I339 HydrophobicContact CZ-CD1 4.07Å; F327-I339 HydrophobicContact CZ-CG1 4.45Å; F327-I339 HydrophobicContact CZ-CG2 3.41Å; F327-I339 VanDerWaalsContact CZ-CG2 3.41Å; F327-I339 PolarHBondContact N-O 3.06Å; F327-I339 PolarHBondContact O-N 3.44Å; F327-I339 VanDerWaalsContact O-O 3.08Å; I329-I339 HydrophobicContact CD1-CD1 3.81Å |
| 340 | Q | 92.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128 | 174.3 | -161.5 | -172.7 | 15.1 | 0 | 0 | 109.1 | L260 W269 I322 Q323 G324 N325 L326 | L260-Q340 HydrophobicContact CB-CB 4.12Å; L260-Q340 HydrophobicContact CD1-CB 4.4Å; L260-Q340 PolarHBondContact N-O 3.45Å; L260-Q340 PolarHBondContact O-N 3.48Å; W269-Q340 HydrophobicContact CZ3-CB 4.14Å; I322-Q340 HydrophobicContact CG2-CG 4.48Å; Q323-Q340 PolarHBondContact O-NE2 2.88Å; Q323-Q340 VanDerWaalsContact O-NE2 3.09Å; G324-Q340 VanDerWaalsContact O-CG 3.29Å; G324-Q340 WeakPolarHBondContact O-CG 3.32Å; G324-Q340 PolarHBondContact O-NE2 2.77Å; N325-Q340 HydrophobicContact CB-CG 4.49Å; N325-Q340 WeakPolarHBondContact O-CA 3.3Å; L326-Q340 HydrophobicContact CD2-CB 3.66Å; L326-Q340 HydrophobicContact CD2-CG 3.84Å; L326-Q340 HydrophobicContact CG-CG 4.18Å |
| 341 | A | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -87.3 | 155.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | L259 N325 T343 E346 K347 | L259-A341 HydrophobicContact CD2-CB 3.91Å; N325-A341 WeakPolarHBondContact CB-O 3.17Å; N325-A341 PolarHBondContact O-N 2.83Å; A341-T343 VanDerWaalsContact C-N 3.34Å; A341-E346 HydrophobicContact CB-CB 4.02Å; A341-K347 VanDerWaalsContact CB-CA 3.48Å; A341-K347 HydrophobicContact CB-CB 3.75Å; A341-K347 VanDerWaalsContact CB-N 3.29Å | ||
| 342 | P | 88.3 | Confident | 92.8 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -65.1 | -39.3 | 178.3 | -14.9 | 25.6 | 0 | 0 | 0 | 113.1 | F14 W29 N325 E346 | F14-P342 HydrophobicContact CD2-CB 4.5Å; F14-P342 HydrophobicContact CD2-CG 3.89Å; F14-P342 HydrophobicContact CE2-CB 4.3Å; F14-P342 HydrophobicContact CE2-CG 3.94Å; W29-P342 HydrophobicContact CH2-CB 3.56Å; W29-P342 HydrophobicContact CZ3-CB 3.5Å; W29-P342 VanDerWaalsContact CZ3-CB 3.5Å; W29-P342 HydrophobicContact CZ3-CG 4.17Å; N325-P342 PolarHBondContact ND2-O 3.3Å; N325-P342 VanDerWaalsContact ND2-O 3.14Å; P342-E346 VanDerWaalsContact CB-OE2 3.24Å; P342-E346 WeakPolarHBondContact CB-OE2 3.43Å; P342-E346 VanDerWaalsContact CD-OE2 3.26Å; P342-E346 WeakPolarHBondContact CD-OE2 3.4Å; P342-E346 WeakPolarHBondContact CG-OE2 3.45Å |
| 343 | T | 88.9 | Confident | 93.1 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -123.7 | 161.7 | 179.9 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | N325 A341 Q345 E346 K347 | N325-T343 VanDerWaalsContact CG-C 3.42Å; N325-T343 WeakPolarHBondContact ND2-CA 3.41Å; A341-T343 VanDerWaalsContact C-N 3.34Å; T343-Q345 VanDerWaalsContact C-N 3.29Å; T343-Q345 PolarHBondContact O-N 3.35Å; T343-E346 PolarHBondContact N-OE2 3.38Å; T343-E346 PolarHBondContact O-N 2.93Å; T343-E346 WeakPolarHBondContact OG1-CB 3.47Å; T343-E346 VanDerWaalsContact OG1-CG 3.28Å; T343-E346 WeakPolarHBondContact OG1-CG 3.47Å; T343-E346 PolarHBondContact OG1-N 3.19Å; T343-E346 VanDerWaalsContact OG1-N 3.12Å; T343-E346 PolarHBondContact OG1-OE2 2.86Å; T343-K347 PolarHBondContact O-N 3.07Å |
| 344 | H | 91.1 | Very high | 93.5 | Very high | 106 Ų | 106 | 39.4 Ų | 39.4 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -39.5 | 174.7 | 179.2 | -89.1 | 0 | 0 | 0 | 111.3 | N325 K347 M348 | N325-H344 PolarHBondContact ND2-N 3.45Å; N325-H344 WeakPolarHBondContact OD1-CA 3.2Å; N325-H344 WeakPolarHBondContact OD1-CB 3.33Å; N325-H344 PolarHBondContact OD1-N 3.38Å; N325-H344 VanDerWaalsContact OD1-N 3.15Å; H344-K347 WeakPolarHBondContact O-CB 3.16Å; H344-K347 PolarHBondContact O-N 3.3Å; H344-M348 PolarHBondContact O-N 2.97Å |
| 345 | Q | 93.1 | Very high | 93.8 | Very high | 119 Ų | 119 | 39.8 Ų | 39.8 | 56% | 0.556 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -60.5 | -50.7 | 176.4 | -172.5 | 61.1 | 51.2 | 0 | 0 | 110.9 | T343 K347 M348 D349 | T343-Q345 VanDerWaalsContact C-N 3.29Å; T343-Q345 PolarHBondContact O-N 3.35Å; Q345-K347 VanDerWaalsContact C-N 3.29Å; Q345-K347 PolarHBondContact O-N 3.2Å; Q345-M348 PolarHBondContact O-N 3.08Å; Q345-D349 PolarHBondContact NE2-OD1 2.88Å; Q345-D349 VanDerWaalsContact O-CG 3.22Å; Q345-D349 PolarHBondContact O-N 3.34Å |
| 346 | E | 93.4 | Very high | 93.9 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -37 | 177.7 | -74.3 | 174 | 102.9 | 0 | 0 | 112.4 | A341 P342 T343 M348 D349 W350 | A341-E346 HydrophobicContact CB-CB 4.02Å; P342-E346 VanDerWaalsContact CB-OE2 3.24Å; P342-E346 WeakPolarHBondContact CB-OE2 3.43Å; P342-E346 VanDerWaalsContact CD-OE2 3.26Å; P342-E346 WeakPolarHBondContact CD-OE2 3.4Å; P342-E346 WeakPolarHBondContact CG-OE2 3.45Å; T343-E346 PolarHBondContact N-OE2 3.38Å; T343-E346 PolarHBondContact O-N 2.93Å; T343-E346 WeakPolarHBondContact OG1-CB 3.47Å; T343-E346 VanDerWaalsContact OG1-CG 3.28Å; T343-E346 WeakPolarHBondContact OG1-CG 3.47Å; T343-E346 PolarHBondContact OG1-N 3.19Å; T343-E346 VanDerWaalsContact OG1-N 3.12Å; T343-E346 PolarHBondContact OG1-OE2 2.86Å; E346-M348 VanDerWaalsContact C-N 3.28Å; E346-M348 PolarHBondContact O-N 3.06Å; E346-D349 PolarHBondContact O-N 2.94Å; E346-W350 WeakPolarHBondContact O-CB 3.16Å; E346-W350 PolarHBondContact O-N 2.84Å |
| 347 | K | 94.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.1 | -49.3 | 172.4 | 161.9 | 179 | 167.4 | 178.5 | 0 | 110 | S308 L309 N325 L326 F327 A341 T343 H344 Q345 W350 I351 | S308-K347 WeakPolarHBondContact OG-CE 3.27Å; S308-K347 PolarHBondContact OG-NZ 3.15Å; L309-K347 PolarHBondContact O-NZ 3.46Å; N325-K347 HydrophobicContact CB-CB 4.36Å; N325-K347 HydrophobicContact CB-CD 4.47Å; L326-K347 WeakPolarHBondContact O-CE 3.22Å; L326-K347 PolarHBondContact O-NZ 2.83Å; F327-K347 HydrophobicContact CD1-CG 4.29Å; A341-K347 VanDerWaalsContact CB-CA 3.48Å; A341-K347 HydrophobicContact CB-CB 3.75Å; A341-K347 VanDerWaalsContact CB-N 3.29Å; T343-K347 PolarHBondContact O-N 3.07Å; H344-K347 WeakPolarHBondContact O-CB 3.16Å; H344-K347 PolarHBondContact O-N 3.3Å; Q345-K347 VanDerWaalsContact C-N 3.29Å; Q345-K347 PolarHBondContact O-N 3.2Å; K347-W350 PolarHBondContact O-N 3.42Å; K347-I351 HydrophobicContact CG-CD1 3.82Å; K347-I351 VanDerWaalsContact O-CG1 3.3Å; K347-I351 WeakPolarHBondContact O-CG1 3.48Å; K347-I351 PolarHBondContact O-N 3.22Å |
| 348 | M | 96 | Very high | 92.9 | Very high | 44 Ų | 44 | 45 Ų | 45 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -45.2 | -177.7 | -69.8 | -47.7 | -42.1 | 0 | 0 | 112.2 | H344 Q345 E346 W350 I351 D352 | H344-M348 PolarHBondContact O-N 2.97Å; Q345-M348 PolarHBondContact O-N 3.08Å; E346-M348 VanDerWaalsContact C-N 3.28Å; E346-M348 PolarHBondContact O-N 3.06Å; M348-W350 PolarHBondContact O-N 3.48Å; M348-I351 HydrophobicContact CE-CB 4.29Å; M348-I351 HydrophobicContact CE-CD1 4.28Å; M348-I351 HydrophobicContact CE-CG2 4.3Å; M348-I351 PolarHBondContact O-N 3.16Å; M348-I351 HydrophobicContact SD-CD1 4.09Å; M348-D352 PolarHBondContact O-N 3.39Å |
| 349 | D | 96.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.5 | -38.6 | 176.7 | -62.4 | -10.5 | 0 | 0 | 0 | 112.2 | Q345 E346 A353 | Q345-D349 PolarHBondContact NE2-OD1 2.88Å; Q345-D349 VanDerWaalsContact O-CG 3.22Å; Q345-D349 PolarHBondContact O-N 3.34Å; E346-D349 PolarHBondContact O-N 2.94Å; D349-A353 WeakPolarHBondContact O-CB 3.32Å; D349-A353 PolarHBondContact O-N 2.86Å |
| 350 | W | 97.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.7 | -40.1 | 175.7 | -87.2 | 105.8 | 0 | 0 | 0 | 112.6 | K255 L259 F274 L276 L283 F327 E346 K347 M348 I354 | K255-W350 HydrophobicContact CB-CH2 4.23Å; K255-W350 HydrophobicContact CB-CZ3 4.32Å; K255-W350 HydrophobicContact CD-CD2 3.83Å; K255-W350 HydrophobicContact CD-CE3 3.98Å; K255-W350 HydrophobicContact CD-CG 4.35Å; K255-W350 HydrophobicContact CD-CH2 4.34Å; K255-W350 HydrophobicContact CD-CZ2 4.18Å; K255-W350 HydrophobicContact CD-CZ3 4.25Å; K255-W350 HydrophobicContact CG-CH2 4.01Å; K255-W350 HydrophobicContact CG-CZ2 3.96Å; K255-W350 HydrophobicContact CG-CZ3 4.29Å; L259-W350 HydrophobicContact CD1-CD2 3.88Å; L259-W350 HydrophobicContact CD1-CE3 4.44Å; L259-W350 HydrophobicContact CD1-CG 4.09Å; L259-W350 HydrophobicContact CD1-CZ2 4.19Å; F274-W350 HydrophobicContact CB-CH2 3.8Å; F274-W350 HydrophobicContact CB-CZ2 4.24Å; F274-W350 HydrophobicContact CB-CZ3 4.32Å; L276-W350 HydrophobicContact CB-CZ3 3.97Å; L283-W350 HydrophobicContact CD1-CZ3 4.07Å; F327-W350 HydrophobicContact CE1-CB 4.44Å; F327-W350 HydrophobicContact CZ-CB 4.1Å; E346-W350 WeakPolarHBondContact O-CB 3.16Å; E346-W350 PolarHBondContact O-N 2.84Å; K347-W350 PolarHBondContact O-N 3.42Å; M348-W350 PolarHBondContact O-N 3.48Å; W350-I354 HydrophobicContact CE3-CD1 4.15Å; W350-I354 HydrophobicContact CE3-CG1 4.44Å; W350-I354 WeakPolarHBondContact O-CB 3.46Å; W350-I354 WeakPolarHBondContact O-CD1 3.35Å; W350-I354 WeakPolarHBondContact O-CG1 3.28Å; W350-I354 PolarHBondContact O-N 3.27Å |
| 351 | I | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 177 | -73.1 | 168.8 | 0 | 0 | 0 | 110.2 | I306 F327 K347 M348 I354 R355 | I306-I351 HydrophobicContact CD1-CB 4.24Å; I306-I351 HydrophobicContact CD1-CG1 4.01Å; I306-I351 HydrophobicContact CD1-CG2 4.35Å; I306-I351 HydrophobicContact CG1-CG1 4.3Å; I306-I351 HydrophobicContact CG1-CG2 4.44Å; F327-I351 HydrophobicContact CB-CD1 3.85Å; F327-I351 HydrophobicContact CB-CG1 4.01Å; F327-I351 HydrophobicContact CD2-CG1 4.22Å; F327-I351 HydrophobicContact CG-CD1 4.4Å; F327-I351 HydrophobicContact CG-CG1 4.09Å; K347-I351 HydrophobicContact CG-CD1 3.82Å; K347-I351 VanDerWaalsContact O-CG1 3.3Å; K347-I351 WeakPolarHBondContact O-CG1 3.48Å; K347-I351 PolarHBondContact O-N 3.22Å; M348-I351 HydrophobicContact CE-CB 4.29Å; M348-I351 HydrophobicContact CE-CD1 4.28Å; M348-I351 HydrophobicContact CE-CG2 4.3Å; M348-I351 PolarHBondContact O-N 3.16Å; M348-I351 HydrophobicContact SD-CD1 4.09Å; I351-I354 PolarHBondContact O-N 2.97Å; I351-R355 HydrophobicContact CG2-CG 4.47Å; I351-R355 WeakPolarHBondContact O-CG 3.43Å; I351-R355 PolarHBondContact O-N 3.25Å |
| 352 | D | 96.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.4 | -44.5 | -175.7 | -65.7 | -25.7 | 0 | 0 | 0 | 110.9 | M348 I354 R355 E356 | M348-D352 PolarHBondContact O-N 3.39Å; D352-I354 VanDerWaalsContact C-N 3.3Å; D352-I354 PolarHBondContact O-N 3.41Å; D352-R355 PolarHBondContact O-N 2.94Å; D352-R355 IonicContact OD1-NH1 3.24Å; D352-R355 PolarHBondContact OD1-NH1 3.4Å; D352-E356 PolarHBondContact O-N 2.8Å |
| 353 | A | 95.7 | Very high | 93 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K255 L276 D349 H357 | K255-A353 HydrophobicContact CD-CB 4.01Å; L276-A353 HydrophobicContact CD2-CB 3.81Å; D349-A353 WeakPolarHBondContact O-CB 3.32Å; D349-A353 PolarHBondContact O-N 2.86Å; A353-H357 PolarHBondContact O-CD2 2.88Å |
| 354 | I | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 178.9 | -70.5 | 166.7 | 0 | 0 | 0 | 111.3 | L276 L283 L301 I306 F327 I329 W350 I351 D352 E356 H357 T358 | L276-I354 HydrophobicContact CD1-CG1 4.47Å; L276-I354 HydrophobicContact CD2-CG1 4.44Å; L283-I354 HydrophobicContact CD2-CD1 3.99Å; L301-I354 HydrophobicContact CD1-CG2 4.38Å; L301-I354 HydrophobicContact CD2-CG2 3.88Å; I306-I354 HydrophobicContact CD1-CB 3.78Å; I306-I354 HydrophobicContact CD1-CD1 3.92Å; I306-I354 HydrophobicContact CD1-CG1 4.46Å; I306-I354 HydrophobicContact CD1-CG2 3.72Å; F327-I354 HydrophobicContact CE2-CD1 4.25Å; I329-I354 HydrophobicContact CD1-CD1 3.83Å; W350-I354 HydrophobicContact CE3-CD1 4.15Å; W350-I354 HydrophobicContact CE3-CG1 4.44Å; W350-I354 WeakPolarHBondContact O-CB 3.46Å; W350-I354 WeakPolarHBondContact O-CD1 3.35Å; W350-I354 WeakPolarHBondContact O-CG1 3.28Å; W350-I354 PolarHBondContact O-N 3.27Å; I351-I354 PolarHBondContact O-N 2.97Å; D352-I354 VanDerWaalsContact C-N 3.3Å; D352-I354 PolarHBondContact O-N 3.41Å; I354-E356 PolarHBondContact O-N 3.18Å; I354-H357 PolarHBondContact O-N 3.31Å; I354-T358 HydrophobicContact CG2-CG2 3.78Å; I354-T358 WeakPolarHBondContact O-CG2 3.46Å; I354-T358 PolarHBondContact O-N 2.98Å |
| 355 | R | 94.3 | Very high | 93.4 | Very high | 122 Ų | 122 | 54 Ų | 54 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -30.3 | -179.6 | -79.8 | 172 | 176.9 | 161.1 | -6.4 | 113.5 | I306 I351 D352 H357 T358 | I306-R355 HydrophobicContact CG2-CG 3.52Å; I351-R355 HydrophobicContact CG2-CG 4.47Å; I351-R355 WeakPolarHBondContact O-CG 3.43Å; I351-R355 PolarHBondContact O-N 3.25Å; D352-R355 PolarHBondContact O-N 2.94Å; D352-R355 IonicContact OD1-NH1 3.24Å; D352-R355 PolarHBondContact OD1-NH1 3.4Å; R355-H357 PolarHBondContact O-N 2.77Å; R355-H357 VanDerWaalsContact O-N 3.14Å; R355-T358 PolarHBondContact O-OG1 3.14Å |
| 356 | E | 92.8 | Very high | 93.4 | Very high | 155 Ų | 155 | 49 Ų | 49 | 72% | 0.724 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.6 | 175.5 | -66.6 | 178.2 | -175.1 | 0 | 0 | 112.9 | D352 I354 | D352-E356 PolarHBondContact O-N 2.8Å; I354-E356 PolarHBondContact O-N 3.18Å |
| 357 | H | 88.5 | Confident | 93.4 | Very high | 30 Ų | 30 | 48 Ų | 48 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 4.5 | -171.5 | -62.6 | -69 | 0 | 0 | 0 | 114.5 | S278 D281 L301 A353 I354 R355 | S278-H357 VanDerWaalsContact CB-CE1 3.46Å; S278-H357 WeakPolarHBondContact CB-CE1 3.23Å; D281-H357 HydrophobicContact CB-CB 4.05Å; D281-H357 IonicContact OD1-CE1 3.71Å; D281-H357 IonicContact OD1-CG 3.56Å; D281-H357 IonicContact OD1-ND1 2.77Å; D281-H357 PolarHBondContact OD1-ND1 3.29Å; L301-H357 HydrophobicContact CB-CB 4.33Å; L301-H357 VanDerWaalsContact CB-O 3.27Å; L301-H357 WeakPolarHBondContact CB-O 3.29Å; L301-H357 HydrophobicContact CD1-CB 3.79Å; A353-H357 PolarHBondContact O-CD2 2.88Å; I354-H357 PolarHBondContact O-N 3.31Å; R355-H357 PolarHBondContact O-N 2.77Å; R355-H357 VanDerWaalsContact O-N 3.14Å |
| 358 | T | 77.5 | Confident | 93.3 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | trans | -93.2 | 0 | -176.9 | 49.1 | 0 | 0 | 0 | 0 | 115.1 | L301 G303 C304 I354 R355 | L301-T358 HydrophobicContact CB-CG2 4.44Å; L301-T358 WeakPolarHBondContact O-CA 3.39Å; G303-T358 PolarHBondContact N-OXT 3.02Å; C304-T358 HydrophobicContact CB-CG2 4Å; C304-T358 WeakPolarHBondContact O-CB 3.38Å; I354-T358 HydrophobicContact CG2-CG2 3.78Å; I354-T358 WeakPolarHBondContact O-CG2 3.46Å; I354-T358 PolarHBondContact O-N 2.98Å; R355-T358 PolarHBondContact O-OG1 3.14Å |
Retrieved 358 of 358 residues in 200.5 ms
(Link to these results)