| 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 | 48.1 | Very low | 81.2 | Confident | 116 Ų | 116 | 41.2 Ų | 41.2 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | 0 | 122 | 0 | -63.6 | -179.9 | -167.5 | 0 | 0 | 108.3 | S3 R42 L104 N142 | M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3Å; M1-R42 PolarHBondContact O-NE 3.02Å; M1-R42 PolarHBondContact O-NH2 2.84Å; M1-L104 HydrophobicContact CE-CD1 4.37Å; M1-L104 HydrophobicContact SD-CD1 3.52Å; M1-L104 VanDerWaalsContact SD-CD1 3.52Å; M1-N142 HydrophobicContact CE-CB 3.59Å; M1-N142 HydrophobicContact CG-CB 4.25Å; M1-N142 WeakPolarHBondContact CG-OD1 3.15Å; M1-N142 HydrophobicContact SD-CB 3.83Å; M1-N142 PolarHBondContact SD-OD1 3.02Å | |||
| 2 | G | 51.2 | Low | 82.4 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 45% | 0.454 | 24% | 0.239 | S | C | . | . | trans | -90.3 | 34.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S4 | G2-S4 PolarHBondContact O-N 3.18Š| ||
| 3 | S | 58.3 | Low | 83.6 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | trans | -74.9 | 127.2 | -174.6 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | M1 K5 | M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3Å; S3-K5 PolarHBondContact O-N 2.73Å; S3-K5 PolarHBondContact OG-NZ 2.74Å | ||
| 4 | S | 80.6 | Confident | 84.5 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -67.7 | 20.8 | 179.8 | -51.4 | 0 | 0 | 0 | 0 | 114.9 | G2 A7 Q8 | G2-S4 PolarHBondContact O-N 3.18Å; S4-A7 PolarHBondContact O-N 3.37Å; S4-Q8 WeakPolarHBondContact O-CG 3.28Å; S4-Q8 PolarHBondContact O-N 2.83Å |
| 5 | K | 89.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -59.5 | -171.8 | -48.7 | -168.3 | -47.8 | -73.2 | 0 | 111.7 | S3 A7 Q8 A9 E76 F102 G103 L104 I129 | S3-K5 PolarHBondContact O-N 2.73Å; S3-K5 PolarHBondContact OG-NZ 2.74Å; K5-A7 PolarHBondContact O-N 3Å; K5-Q8 PolarHBondContact O-N 3.14Å; K5-A9 PolarHBondContact O-N 2.77Å; K5-E76 VanDerWaalsContact CE-OE2 3.27Å; K5-E76 WeakPolarHBondContact CE-OE2 3.43Å; K5-E76 IonicContact NZ-OE1 3.91Å; K5-E76 PolarHBondContact NZ-OE1 2.79Å; K5-E76 IonicContact NZ-OE2 2.72Å; K5-E76 PolarHBondContact NZ-OE2 2.69Å; K5-E76 VanDerWaalsContact NZ-OE2 3.1Å; K5-F102 HydrophobicContact CB-CB 4.38Å; K5-G103 WeakPolarHBondContact CD-O 3.49Å; K5-L104 HydrophobicContact CD-CD2 3.92Å; K5-L104 HydrophobicContact CD-CG 4.38Å; K5-I129 HydrophobicContact CB-CD1 4.47Å; K5-I129 HydrophobicContact CG-CD1 4.27Å |
| 6 | S | 91.3 | Very high | 86.2 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -33.8 | 178.5 | -46.3 | 0 | 0 | 0 | 0 | 111.9 | L10 D75 | S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 WeakPolarHBondContact O-CG 3.44Å; S6-L10 PolarHBondContact O-N 3.27Å; S6-D75 VanDerWaalsContact CB-OD2 3.24Å; S6-D75 WeakPolarHBondContact CB-OD2 3.45Å; S6-D75 PolarHBondContact OG-OD2 3.25Å |
| 7 | A | 91.9 | Very high | 86.8 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S4 K5 L10 M11 V43 | S4-A7 PolarHBondContact O-N 3.37Å; K5-A7 PolarHBondContact O-N 3Å; A7-L10 PolarHBondContact O-N 2.79Å; A7-M11 HydrophobicContact CB-CE 4.49Å; A7-M11 WeakPolarHBondContact O-CB 3.16Å; A7-M11 WeakPolarHBondContact O-CG 3.09Å; A7-M11 PolarHBondContact O-N 3.24Å; A7-V43 HydrophobicContact CB-CG2 3.86Å |
| 8 | Q | 94.6 | Very high | 87.3 | Confident | 81 Ų | 81 | 55.3 Ų | 55.3 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 177 | -76 | -163 | -7.1 | 0 | 0 | 112.6 | S4 K5 L10 M11 T12 F102 I129 | S4-Q8 WeakPolarHBondContact O-CG 3.28Å; S4-Q8 PolarHBondContact O-N 2.83Å; K5-Q8 PolarHBondContact O-N 3.14Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-L10 PolarHBondContact O-N 3.28Å; Q8-M11 PolarHBondContact O-N 3.46Å; Q8-T12 WeakPolarHBondContact O-CB 3.18Å; Q8-T12 PolarHBondContact O-N 2.95Å; Q8-T12 PolarHBondContact O-OG1 2.95Å; Q8-F102 HydrophobicContact CB-CD1 4.18Å; Q8-F102 HydrophobicContact CB-CE1 3.7Å; Q8-I129 HydrophobicContact CB-CD1 4.44Å; Q8-I129 VanDerWaalsContact OE1-CG1 3.23Å |
| 9 | A | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K5 T12 K13 I73 D75 F102 | K5-A9 PolarHBondContact O-N 2.77Å; A9-T12 PolarHBondContact O-N 2.9Å; A9-K13 PolarHBondContact O-N 3.21Å; A9-I73 HydrophobicContact CB-CG2 4.01Å; A9-D75 HydrophobicContact CB-CB 4.41Å; A9-F102 HydrophobicContact CB-CB 4.39Å; A9-F102 HydrophobicContact CB-CD1 4.4Å; A9-F102 HydrophobicContact CB-CD2 3.63Å; A9-F102 HydrophobicContact CB-CE2 3.97Å; A9-F102 HydrophobicContact CB-CG 3.88Å; A9-F102 HydrophobicContact CB-CZ 4.49Å |
| 10 | L | 96.5 | Very high | 88.2 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.5 | -38 | 178.5 | -68.2 | 174.8 | 0 | 0 | 0 | 113.1 | S6 A7 Q8 K13 F14 L25 V39 L45 A47 | S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 WeakPolarHBondContact O-CG 3.44Å; S6-L10 PolarHBondContact O-N 3.27Å; A7-L10 PolarHBondContact O-N 2.79Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-L10 PolarHBondContact O-N 3.28Å; L10-K13 WeakPolarHBondContact O-CB 2.99Å; L10-K13 PolarHBondContact O-N 2.81Å; L10-F14 WeakPolarHBondContact O-CB 3.34Å; L10-F14 PolarHBondContact O-N 2.64Å; L10-L25 HydrophobicContact CD2-CD2 4.03Å; L10-V39 HydrophobicContact CD1-CG1 4.14Å; L10-V39 HydrophobicContact CD2-CB 4.3Å; L10-V39 HydrophobicContact CD2-CG1 4.11Å; L10-V39 HydrophobicContact CG-CG1 4.02Å; L10-L45 HydrophobicContact CB-CB 4.23Å; L10-L45 HydrophobicContact CB-CD1 4.38Å; L10-L45 HydrophobicContact CD1-CB 3.71Å; L10-L45 VanDerWaalsContact CD1-O 3.3Å; L10-L45 WeakPolarHBondContact CD1-O 3.48Å; L10-A47 HydrophobicContact CD2-CB 3.45Å; L10-A47 VanDerWaalsContact CD2-CB 3.45Å |
| 11 | M | 95.3 | Very high | 88.7 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.9 | -72.9 | 168.7 | -178.7 | 0 | 0 | 111.2 | A7 Q8 F14 N15 V43 L45 | A7-M11 HydrophobicContact CB-CE 4.49Å; A7-M11 WeakPolarHBondContact O-CB 3.16Å; A7-M11 WeakPolarHBondContact O-CG 3.09Å; A7-M11 PolarHBondContact O-N 3.24Å; Q8-M11 PolarHBondContact O-N 3.46Å; M11-F14 PolarHBondContact O-N 2.92Å; M11-N15 PolarHBondContact O-N 3.38Å; M11-N15 PolarHBondContact O-ND2 3.44Å; M11-N15 PolarHBondContact O-OD1 3.01Å; M11-V43 HydrophobicContact CE-CG2 4.47Å; M11-L45 HydrophobicContact CE-CD1 4.02Å; M11-L45 HydrophobicContact CG-CD1 3.88Å |
| 12 | T | 96.5 | Very high | 91 | Very high | 33 Ų | 33 | 65.8 Ų | 65.8 | 20% | 0.202 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | Q8 A9 F14 N15 Y16 I73 L100 | Q8-T12 WeakPolarHBondContact O-CB 3.18Å; Q8-T12 PolarHBondContact O-N 2.95Å; Q8-T12 PolarHBondContact O-OG1 2.95Å; A9-T12 PolarHBondContact O-N 2.9Å; T12-F14 VanDerWaalsContact C-N 3.33Å; T12-F14 PolarHBondContact O-N 2.77Å; T12-N15 PolarHBondContact O-N 2.71Å; T12-Y16 HydrophobicContact CG2-CD2 4.11Å; T12-Y16 HydrophobicContact CG2-CE2 4.01Å; T12-Y16 WeakPolarHBondContact O-CD2 3.44Å; T12-Y16 PolarHBondContact O-N 2.86Å; T12-I73 HydrophobicContact CG2-CD1 3.78Å; T12-L100 HydrophobicContact CG2-CD1 3.57Å |
| 13 | K | 97.5 | Very high | 93.2 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 14% | 0.135 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.3 | -51.5 | 173.6 | 174.8 | 178.1 | -173 | -61.9 | 0 | 111.3 | A9 L10 N15 Y16 E17 V23 L25 A47 I73 | A9-K13 PolarHBondContact O-N 3.21Å; L10-K13 WeakPolarHBondContact O-CB 2.99Å; L10-K13 PolarHBondContact O-N 2.81Å; K13-N15 VanDerWaalsContact C-N 3.32Å; K13-N15 PolarHBondContact O-N 2.76Å; K13-Y16 PolarHBondContact O-N 3.35Å; K13-Y16 VanDerWaalsContact O-N 3.15Å; K13-E17 IonicContact NZ-OE1 2.92Å; K13-E17 PolarHBondContact NZ-OE1 3.45Å; K13-E17 IonicContact NZ-OE2 3.63Å; K13-E17 PolarHBondContact NZ-OE2 2.74Å; K13-E17 PolarHBondContact O-N 2.89Å; K13-V23 HydrophobicContact CB-CG1 4.25Å; K13-V23 HydrophobicContact CD-CG1 4.42Å; K13-V23 HydrophobicContact CG-CB 4.1Å; K13-V23 HydrophobicContact CG-CG1 3.9Å; K13-V23 HydrophobicContact CG-CG2 4.16Å; K13-L25 HydrophobicContact CD-CB 4.36Å; K13-L25 HydrophobicContact CD-CD2 4.01Å; K13-A47 HydrophobicContact CD-CB 4Å; K13-I73 HydrophobicContact CB-CD1 3.96Å |
| 14 | F | 96.7 | Very high | 95.1 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 179.6 | -177.4 | -99.2 | 0 | 0 | 0 | 112.1 | L10 M11 T12 Y16 E17 E18 | L10-F14 WeakPolarHBondContact O-CB 3.34Å; L10-F14 PolarHBondContact O-N 2.64Å; M11-F14 PolarHBondContact O-N 2.92Å; T12-F14 VanDerWaalsContact C-N 3.33Å; T12-F14 PolarHBondContact O-N 2.77Å; F14-Y16 VanDerWaalsContact C-N 3.28Å; F14-Y16 PolarHBondContact O-N 2.76Å; F14-E17 PolarHBondContact O-N 3Å; F14-E17 VanDerWaalsContact O-N 3.15Å; F14-E18 HydrophobicContact CD1-CG 3.98Å; F14-E18 HydrophobicContact CE1-CG 3.55Å; F14-E18 WeakPolarHBondContact CE1-OE1 3.36Å; F14-E18 WeakPolarHBondContact CE1-OE2 3.23Å; F14-E18 HydrophobicContact CE2-CG 4.25Å; F14-E18 HydrophobicContact CZ-CG 3.68Å; F14-E18 WeakPolarHBondContact O-CG 3.44Å; F14-E18 PolarHBondContact O-N 3.04Å |
| 15 | N | 97.1 | Very high | 96 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -30.4 | 178.4 | -67.8 | -21.7 | 0 | 0 | 0 | 113.9 | M11 T12 K13 | M11-N15 PolarHBondContact O-N 3.38Å; M11-N15 PolarHBondContact O-ND2 3.44Å; M11-N15 PolarHBondContact O-OD1 3.01Å; T12-N15 PolarHBondContact O-N 2.71Å; K13-N15 VanDerWaalsContact C-N 3.32Å; K13-N15 PolarHBondContact O-N 2.76Å |
| 16 | Y | 98.2 | Very high | 96.3 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.4 | -46.5 | 172.8 | -89.4 | -95 | 0 | 0 | 0 | 110.4 | T12 K13 F14 E18 K19 R21 V23 V71 L100 | T12-Y16 HydrophobicContact CG2-CD2 4.11Å; T12-Y16 HydrophobicContact CG2-CE2 4.01Å; T12-Y16 WeakPolarHBondContact O-CD2 3.44Å; T12-Y16 PolarHBondContact O-N 2.86Å; K13-Y16 PolarHBondContact O-N 3.35Å; K13-Y16 VanDerWaalsContact O-N 3.15Å; F14-Y16 VanDerWaalsContact C-N 3.28Å; F14-Y16 PolarHBondContact O-N 2.76Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 2.77Å; Y16-K19 CarbonylContact O-C 3.51Å; Y16-K19 WeakPolarHBondContact O-CA 3.5Å; Y16-K19 PolarHBondContact O-N 3.48Å; Y16-R21 HydrophobicContact CD1-CB 3.76Å; Y16-R21 HydrophobicContact CD1-CG 4.15Å; Y16-R21 HydrophobicContact CG-CB 4.4Å; Y16-R21 VanDerWaalsContact O-CB 3.28Å; Y16-R21 WeakPolarHBondContact O-CB 3.45Å; Y16-R21 PolarHBondContact O-N 3.33Å; Y16-V23 HydrophobicContact CG-CG2 4.29Å; Y16-V71 HydrophobicContact CD1-CB 4.1Å; Y16-V71 HydrophobicContact CD1-CG1 3.5Å; Y16-V71 VanDerWaalsContact CD1-CG1 3.5Å; Y16-V71 HydrophobicContact CD2-CG1 3.97Å; Y16-V71 HydrophobicContact CE1-CB 3.69Å; Y16-V71 HydrophobicContact CE1-CG1 3.62Å; Y16-V71 HydrophobicContact CE1-CG2 4.25Å; Y16-V71 HydrophobicContact CE2-CB 4.38Å; Y16-V71 HydrophobicContact CE2-CG1 4.08Å; Y16-V71 HydrophobicContact CE2-CG2 4.18Å; Y16-V71 HydrophobicContact CG-CG1 3.68Å; Y16-L100 HydrophobicContact CE2-CD1 4.35Å |
| 17 | E | 96.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 61.2 Ų | 61.2 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -35.7 | -179.2 | -69.2 | -179.5 | 140.6 | 0 | 0 | 113 | K13 F14 K19 D20 V23 | K13-E17 IonicContact NZ-OE1 2.92Å; K13-E17 PolarHBondContact NZ-OE1 3.45Å; K13-E17 IonicContact NZ-OE2 3.63Å; K13-E17 PolarHBondContact NZ-OE2 2.74Å; K13-E17 PolarHBondContact O-N 2.89Å; F14-E17 PolarHBondContact O-N 3Å; F14-E17 VanDerWaalsContact O-N 3.15Å; E17-K19 PolarHBondContact O-N 3.04Å; E17-K19 VanDerWaalsContact O-N 3.12Å; E17-D20 PolarHBondContact O-N 3.25Å; E17-V23 HydrophobicContact CG-CG2 4.18Å |
| 18 | E | 96.6 | Very high | 96.7 | Very high | 126 Ų | 126 | 61 Ų | 61 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.7 | 171.9 | -78.7 | -164.8 | 118.6 | 0 | 0 | 113.5 | F14 Y16 | F14-E18 HydrophobicContact CD1-CG 3.98Å; F14-E18 HydrophobicContact CE1-CG 3.55Å; F14-E18 WeakPolarHBondContact CE1-OE1 3.36Å; F14-E18 WeakPolarHBondContact CE1-OE2 3.23Å; F14-E18 HydrophobicContact CE2-CG 4.25Å; F14-E18 HydrophobicContact CZ-CG 3.68Å; F14-E18 WeakPolarHBondContact O-CG 3.44Å; F14-E18 PolarHBondContact O-N 3.04Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 2.77Å |
| 19 | K | 96.6 | Very high | 96.4 | Very high | 158 Ų | 158 | 59 Ų | 59 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 22.5 | 177.2 | -62.3 | -179.5 | -179.3 | 179.4 | 0 | 112.3 | Y16 E17 R21 | Y16-K19 CarbonylContact O-C 3.51Å; Y16-K19 WeakPolarHBondContact O-CA 3.5Å; Y16-K19 PolarHBondContact O-N 3.48Å; E17-K19 PolarHBondContact O-N 3.04Å; E17-K19 VanDerWaalsContact O-N 3.12Å; K19-R21 HydrophobicContact CB-CG 4.32Å; K19-R21 PolarHBondContact O-N 3.46Å |
| 20 | D | 95.1 | Very high | 95.9 | Very high | 155 Ų | 155 | 62.4 Ų | 62.4 | 83% | 0.829 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.4 | -178.1 | -56.6 | -60.9 | 0 | 0 | 0 | 113.2 | E17 | E17-D20 PolarHBondContact O-N 3.25Š|
| 21 | R | 97.8 | Very high | 95.2 | Very high | 131 Ų | 131 | 62.1 Ų | 62.1 | 49% | 0.494 | 30% | 0.304 | S | S | . | . | trans | -97 | 143.1 | 175 | -58.4 | -65.1 | 178.8 | 166.4 | -1.3 | 110.9 | Y16 K19 D70 | Y16-R21 HydrophobicContact CD1-CB 3.76Å; Y16-R21 HydrophobicContact CD1-CG 4.15Å; Y16-R21 HydrophobicContact CG-CB 4.4Å; Y16-R21 VanDerWaalsContact O-CB 3.28Å; Y16-R21 WeakPolarHBondContact O-CB 3.45Å; Y16-R21 PolarHBondContact O-N 3.33Å; K19-R21 HydrophobicContact CB-CG 4.32Å; K19-R21 PolarHBondContact O-N 3.46Å; R21-D70 WeakPolarHBondContact CA-OD2 3.41Å; R21-D70 HydrophobicContact CB-CB 3.98Å; R21-D70 VanDerWaalsContact CD-CG 3.47Å; R21-D70 VanDerWaalsContact CD-OD1 3.31Å; R21-D70 WeakPolarHBondContact CD-OD1 3.44Å; R21-D70 HydrophobicContact CG-CB 4.46Å; R21-D70 IonicContact CZ-OD1 3.82Å; R21-D70 IonicContact NH1-OD1 2.85Å; R21-D70 PolarHBondContact NH1-OD1 3.4Å | ||
| 22 | T | 97.5 | Very high | 94.3 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | trans | -90.4 | 137 | -179.8 | 56 | 0 | 0 | 0 | 0 | 110.9 | N68 A69 D70 V71 | T22-N68 PolarHBondContact OG1-O 3.1Å; T22-A69 VanDerWaalsContact OG1-CA 3.24Å; T22-A69 WeakPolarHBondContact OG1-CA 3.36Å; T22-D70 PolarHBondContact N-OD2 3.11Å; T22-D70 PolarHBondContact O-N 2.82Å; T22-D70 PolarHBondContact OG1-N 2.71Å; T22-D70 VanDerWaalsContact OG1-N 3.17Å; T22-D70 PolarHBondContact OG1-OD2 2.77Å; T22-V71 PolarHBondContact O-N 2.94Å | ||
| 23 | V | 98.2 | Very high | 93.1 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.5 | -174.2 | -179.6 | 0 | 0 | 0 | 0 | 110 | K13 Y16 E17 V71 I73 | K13-V23 HydrophobicContact CB-CG1 4.25Å; K13-V23 HydrophobicContact CD-CG1 4.42Å; K13-V23 HydrophobicContact CG-CB 4.1Å; K13-V23 HydrophobicContact CG-CG1 3.9Å; K13-V23 HydrophobicContact CG-CG2 4.16Å; Y16-V23 HydrophobicContact CG-CG2 4.29Å; E17-V23 HydrophobicContact CG-CG2 4.18Å; V23-V71 HydrophobicContact CB-CG1 4.19Å; V23-V71 HydrophobicContact CG1-CG1 4.09Å; V23-V71 HydrophobicContact CG2-CG1 3.72Å; V23-I73 HydrophobicContact CG1-CB 4.29Å; V23-I73 HydrophobicContact CG1-CD1 3.71Å; V23-I73 HydrophobicContact CG1-CG1 3.89Å |
| 24 | W | 98.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 6% | 0.064 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 99.8 | 165.4 | -170.9 | 39.6 | 0 | 0 | 0 | 110 | I26 Q50 I52 I58 M61 F62 C66 A69 V71 V72 I73 I91 | W24-I26 HydrophobicContact CD2-CG2 3.52Å; W24-I26 HydrophobicContact CE3-CG2 3.91Å; W24-I26 HydrophobicContact CG-CG2 4.01Å; W24-I26 HydrophobicContact CH2-CG2 4.12Å; W24-I26 HydrophobicContact CZ2-CG2 3.71Å; W24-I26 HydrophobicContact CZ3-CG2 4.18Å; W24-Q50 HydrophobicContact CZ2-CG 4.46Å; W24-I52 HydrophobicContact CZ2-CD1 4.46Å; W24-I58 HydrophobicContact CH2-CG2 3.89Å; W24-I58 WeakPolarHBondContact CH2-O 3.46Å; W24-I58 HydrophobicContact CZ3-CG2 3.92Å; W24-M61 HydrophobicContact CH2-CB 4.19Å; W24-M61 HydrophobicContact CZ2-CB 4.3Å; W24-F62 HydrophobicContact CD2-CD2 4.33Å; W24-F62 HydrophobicContact CE3-CB 4.28Å; W24-F62 AromaticContact CE3-CD2 3.48Å; W24-F62 HydrophobicContact CE3-CD2 3.48Å; W24-F62 VanDerWaalsContact CE3-CD2 3.48Å; W24-F62 HydrophobicContact CE3-CE2 4.32Å; W24-F62 HydrophobicContact CE3-CG 4.33Å; W24-F62 HydrophobicContact CH2-CB 3.89Å; W24-F62 HydrophobicContact CZ3-CB 3.54Å; W24-F62 AromaticContact CZ3-CD2 3.64Å; W24-F62 HydrophobicContact CZ3-CD2 3.64Å; W24-F62 HydrophobicContact CZ3-CG 4.03Å; W24-C66 HydrophobicContact CB-CB 4.28Å; W24-C66 HydrophobicContact CD2-CB 3.86Å; W24-C66 HydrophobicContact CE3-CB 4.38Å; W24-C66 HydrophobicContact CG-CB 3.84Å; W24-C66 PolarHBondContact NE1-SG 3.05Å; W24-A69 HydrophobicContact CB-CB 3.94Å; W24-V71 PolarHBondContact N-O 3.49Å; W24-V72 HydrophobicContact CD2-CG1 4.48Å; W24-V72 HydrophobicContact CE3-CB 4.37Å; W24-V72 HydrophobicContact CE3-CG1 3.7Å; W24-V72 HydrophobicContact CE3-CG2 3.81Å; W24-V72 HydrophobicContact CZ3-CG1 4.29Å; W24-V72 WeakPolarHBondContact O-CA 3.34Å; W24-I73 PolarHBondContact O-N 2.93Å; W24-I91 HydrophobicContact CZ3-CD1 4.08Å |
| 25 | L | 98 | Very high | 90.6 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.9 | 175.6 | -178 | 65.5 | 0 | 0 | 0 | 109.6 | L10 K13 V39 A47 A49 Q50 I73 | L10-L25 HydrophobicContact CD2-CD2 4.03Å; K13-L25 HydrophobicContact CD-CB 4.36Å; K13-L25 HydrophobicContact CD-CD2 4.01Å; L25-V39 HydrophobicContact CD2-CB 4.21Å; L25-V39 HydrophobicContact CD2-CG2 4.15Å; L25-V39 HydrophobicContact CG-CG2 4.48Å; L25-A47 HydrophobicContact CD2-CB 3.98Å; L25-A49 HydrophobicContact CB-CB 4.4Å; L25-A49 HydrophobicContact CD2-CB 3.85Å; L25-A49 HydrophobicContact CG-CB 3.71Å; L25-A49 CarbonylContact O-C 3.55Å; L25-A49 VanDerWaalsContact O-CA 3.28Å; L25-A49 WeakPolarHBondContact O-CA 3.3Å; L25-Q50 PolarHBondContact O-N 2.81Å; L25-I73 CarbonylContact C-O 3.52Å; L25-I73 WeakPolarHBondContact CA-O 3.5Å; L25-I73 HydrophobicContact CD1-CB 3.9Å; L25-I73 HydrophobicContact CD1-CG2 3.64Å |
| 26 | I | 97.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.6 | 179.7 | 70.2 | 174.1 | 0 | 0 | 0 | 111.6 | W24 Q50 I52 I58 V72 I73 S74 D75 F80 L88 | W24-I26 HydrophobicContact CD2-CG2 3.52Å; W24-I26 HydrophobicContact CE3-CG2 3.91Å; W24-I26 HydrophobicContact CG-CG2 4.01Å; W24-I26 HydrophobicContact CH2-CG2 4.12Å; W24-I26 HydrophobicContact CZ2-CG2 3.71Å; W24-I26 HydrophobicContact CZ3-CG2 4.18Å; I26-Q50 WeakPolarHBondContact CA-O 3.48Å; I26-Q50 HydrophobicContact CG2-CB 4.21Å; I26-I52 HydrophobicContact CB-CG1 4.05Å; I26-I52 HydrophobicContact CG2-CG1 4.48Å; I26-I58 HydrophobicContact CD1-CD1 4.38Å; I26-I58 HydrophobicContact CD1-CG2 4.24Å; I26-V72 HydrophobicContact CD1-CG1 4.14Å; I26-V72 HydrophobicContact CG1-CG1 4.39Å; I26-I73 PolarHBondContact N-O 2.61Å; I26-S74 WeakPolarHBondContact O-CA 3.49Å; I26-D75 PolarHBondContact O-N 3.32Å; I26-F80 HydrophobicContact CD1-CE2 4.45Å; I26-F80 HydrophobicContact CD1-CZ 4.25Å; I26-F80 HydrophobicContact CG1-CZ 4.46Å; I26-L88 HydrophobicContact CD1-CD2 3.84Å |
| 27 | K | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.1 | 172.5 | 68.1 | 178.4 | -53.6 | -172.6 | 0 | 110.9 | D31 T38 V39 A49 Q50 A51 I52 | K27-D31 WeakPolarHBondContact CE-O 3.32Å; K27-D31 WeakPolarHBondContact CE-OD2 3.03Å; K27-D31 PolarHBondContact NZ-O 3.31Å; K27-D31 IonicContact NZ-OD2 2.77Å; K27-D31 PolarHBondContact NZ-OD2 2.71Å; K27-T38 PolarHBondContact NZ-O 3.11Å; K27-V39 HydrophobicContact CB-CG2 4.3Å; K27-V39 HydrophobicContact CD-CG2 4.02Å; K27-A49 HydrophobicContact CB-CB 4.5Å; K27-A49 HydrophobicContact CD-CB 4.1Å; K27-A49 HydrophobicContact CG-CB 4.08Å; K27-Q50 PolarHBondContact N-O 2.83Å; K27-A51 CarbonylContact O-C 3.56Å; K27-A51 WeakPolarHBondContact O-CA 3.09Å; K27-I52 PolarHBondContact O-N 3.48Å |
| 28 | P | 94.5 | Very high | 88.9 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140 | 175 | 27.8 | -32.1 | 0 | 0 | 0 | 110.1 | V30 D31 I52 D75 E76 F79 F80 | P28-V30 HydrophobicContact CB-CG2 4.15Å; P28-V30 HydrophobicContact CG-CG2 4.5Å; P28-V30 PolarHBondContact O-N 3.37Å; P28-V30 VanDerWaalsContact O-N 3.14Å; P28-D31 HydrophobicContact CG-CB 4.3Å; P28-D31 WeakPolarHBondContact O-CB 3.45Å; P28-D31 PolarHBondContact O-N 2.98Å; P28-I52 CarbonylContact C-O 3.57Å; P28-I52 WeakPolarHBondContact CA-O 3.48Å; P28-D75 WeakPolarHBondContact CD-O 3.22Å; P28-E76 HydrophobicContact CG-CB 4.34Å; P28-F79 HydrophobicContact CB-CB 4.05Å; P28-F79 HydrophobicContact CG-CB 3.8Å; P28-F79 HydrophobicContact CG-CD2 4.3Å; P28-F80 HydrophobicContact CB-CD1 4.11Å; P28-F80 HydrophobicContact CB-CE1 3.77Å; P28-F80 HydrophobicContact CB-CE2 4.49Å; P28-F80 HydrophobicContact CB-CZ 3.99Å; P28-F80 HydrophobicContact CG-CE2 4.48Å; P28-F80 HydrophobicContact CG-CZ 4.35Å |
| 29 | S | 90.3 | Very high | 88.7 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22 | -177.1 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | D31 T32 I52 S53 | S29-D31 PolarHBondContact O-N 3.11Å; S29-T32 WeakPolarHBondContact O-CG2 3.11Å; S29-I52 PolarHBondContact N-O 3.27Å; S29-S53 WeakPolarHBondContact OG-CA 3.43Å |
| 30 | V | 83.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 51 Ų | 51 | 42% | 0.424 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.5 | 174.4 | -56 | 0 | 0 | 0 | 0 | 112.4 | P28 T32 F79 | P28-V30 HydrophobicContact CB-CG2 4.15Å; P28-V30 HydrophobicContact CG-CG2 4.5Å; P28-V30 PolarHBondContact O-N 3.37Å; P28-V30 VanDerWaalsContact O-N 3.14Å; V30-T32 PolarHBondContact O-N 3.4Å; V30-F79 HydrophobicContact CG2-CB 3.56Å; V30-F79 HydrophobicContact CG2-CD1 4.48Å; V30-F79 HydrophobicContact CG2-CD2 4.2Å; V30-F79 HydrophobicContact CG2-CG 3.87Å |
| 31 | D | 81 | Confident | 88 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | trans | -85.1 | 85 | 174.2 | -177.5 | 40.7 | 0 | 0 | 0 | 111.9 | K27 P28 S29 R33 | K27-D31 WeakPolarHBondContact CE-O 3.32Å; K27-D31 WeakPolarHBondContact CE-OD2 3.03Å; K27-D31 PolarHBondContact NZ-O 3.31Å; K27-D31 IonicContact NZ-OD2 2.77Å; K27-D31 PolarHBondContact NZ-OD2 2.71Å; P28-D31 HydrophobicContact CG-CB 4.3Å; P28-D31 WeakPolarHBondContact O-CB 3.45Å; P28-D31 PolarHBondContact O-N 2.98Å; S29-D31 PolarHBondContact O-N 3.11Å; D31-R33 WeakPolarHBondContact OD1-CG 3.25Å; D31-R33 IonicContact OD1-CZ 3.55Å; D31-R33 IonicContact OD1-NE 2.66Å; D31-R33 PolarHBondContact OD1-NE 3.46Å; D31-R33 IonicContact OD1-NH2 2.68Å; D31-R33 PolarHBondContact OD1-NH2 2.66Å; D31-R33 IonicContact OD2-CZ 2.68Å; D31-R33 IonicContact OD2-NE 2.71Å; D31-R33 IonicContact OD2-NH2 2.89Å; D31-R33 PolarHBondContact OD2-NH2 2.97Å | ||
| 32 | T | 77.2 | Confident | 87.2 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | trans | -101.7 | 21.4 | 177.2 | 60.2 | 0 | 0 | 0 | 0 | 113 | S29 V30 D34 R171 | S29-T32 WeakPolarHBondContact O-CG2 3.11Å; V30-T32 PolarHBondContact O-N 3.4Å; T32-D34 VanDerWaalsContact C-N 3.31Å; T32-D34 PolarHBondContact O-N 2.88Å; T32-R171 VanDerWaalsContact C-NH1 3.26Å; T32-R171 PolarHBondContact O-NH1 3.44Å; T32-R171 PolarHBondContact O-NH2 2.76Å; T32-R171 PolarHBondContact OG1-NH1 2.88Å | ||
| 33 | R | 70.4 | Confident | 86.6 | Confident | 110 Ų | 110 | 48.6 Ų | 48.6 | 42% | 0.415 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -39.8 | -175.1 | -74.5 | 177 | -59.5 | 162.7 | 23.1 | 113.4 | D31 E76 R171 | D31-R33 WeakPolarHBondContact OD1-CG 3.25Å; D31-R33 IonicContact OD1-CZ 3.55Å; D31-R33 IonicContact OD1-NE 2.66Å; D31-R33 PolarHBondContact OD1-NE 3.46Å; D31-R33 IonicContact OD1-NH2 2.68Å; D31-R33 PolarHBondContact OD1-NH2 2.66Å; D31-R33 IonicContact OD2-CZ 2.68Å; D31-R33 IonicContact OD2-NE 2.71Å; D31-R33 IonicContact OD2-NH2 2.89Å; D31-R33 PolarHBondContact OD2-NH2 2.97Å; R33-E76 IonicContact CZ-OE1 3.12Å; R33-E76 IonicContact NH1-OE1 3.79Å; R33-E76 PolarHBondContact NH1-OE1 3.22Å; R33-E76 IonicContact NH2-OE1 2.59Å; R33-E76 PolarHBondContact NH2-OE1 2.67Å; R33-R171 VanDerWaalsContact CA-NH1 3.27Å |
| 34 | D | 68.5 | Low | 85.9 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 21.5 | -171.2 | -51 | -70.6 | 0 | 0 | 0 | 112.8 | T32 Y40 | T32-D34 VanDerWaalsContact C-N 3.31Å; T32-D34 PolarHBondContact O-N 2.88Å; D34-Y40 HydrophobicContact CB-CG 4.36Å; D34-Y40 VanDerWaalsContact CG-CB 3.47Å |
| 35 | G | 73.9 | Confident | 85.6 | Confident | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | trans | 115.3 | 161.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 36 | A | 80.2 | Confident | 85.4 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -70.4 | -32.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A51 | A36-A51 WeakPolarHBondContact O-CB 3.48Š|
| 37 | D | 87.5 | Confident | 85.2 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -125.8 | 19.2 | -169.6 | 68.3 | -21.4 | 0 | 0 | 0 | 113 | K48 A49 | D37-K48 CarbonylContact O-C 3.5Å; D37-K48 WeakPolarHBondContact O-CA 3.31Å; D37-A49 CarbonylContact C-O 3.52Å; D37-A49 WeakPolarHBondContact CA-O 3.46Å; D37-A49 PolarHBondContact O-N 3.34Å; D37-A49 VanDerWaalsContact O-O 3.07Å |
| 38 | T | 89.5 | Confident | 85.2 | Confident | 33 Ų | 33 | 64 Ų | 64 | 20% | 0.202 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.9 | -175.3 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | K27 | K27-T38 PolarHBondContact NZ-O 3.11Å |
| 39 | V | 91.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124 | 165.3 | 173.5 | 0 | 0 | 0 | 0 | 107.3 | L10 L25 K27 S46 A47 A49 D75 | L10-V39 HydrophobicContact CD1-CG1 4.14Å; L10-V39 HydrophobicContact CD2-CB 4.3Å; L10-V39 HydrophobicContact CD2-CG1 4.11Å; L10-V39 HydrophobicContact CG-CG1 4.02Å; L25-V39 HydrophobicContact CD2-CB 4.21Å; L25-V39 HydrophobicContact CD2-CG2 4.15Å; L25-V39 HydrophobicContact CG-CG2 4.48Å; K27-V39 HydrophobicContact CB-CG2 4.3Å; K27-V39 HydrophobicContact CD-CG2 4.02Å; V39-S46 VanDerWaalsContact O-CA 3.23Å; V39-S46 WeakPolarHBondContact O-CA 3.31Å; V39-A47 PolarHBondContact N-O 3.45Å; V39-A47 PolarHBondContact O-N 2.75Å; V39-A49 HydrophobicContact CG2-CB 3.64Å; V39-D75 HydrophobicContact CG1-CB 4.31Å; V39-D75 VanDerWaalsContact CG1-OD2 3.3Å; V39-D75 WeakPolarHBondContact CG1-OD2 3.37Å; V39-D75 HydrophobicContact CG2-CB 4.09Å |
| 40 | Y | 88.9 | Confident | 85.5 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 43% | 0.427 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.7 | 177.7 | -172.4 | -88.1 | 0 | 0 | 0 | 109.6 | D34 | D34-Y40 HydrophobicContact CB-CG 4.36Å; D34-Y40 VanDerWaalsContact CG-CB 3.47Å |
| 41 | S | 88.4 | Confident | 86 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | trans | -101.1 | 150.1 | 174.6 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | V43 G44 L45 | S41-V43 PolarHBondContact O-N 2.77Å; S41-V43 VanDerWaalsContact O-N 3.08Å; S41-V43 VanDerWaalsContact OG-CG2 3.26Å; S41-V43 WeakPolarHBondContact OG-CG2 3.21Å; S41-G44 PolarHBondContact O-N 3.37Å; S41-L45 PolarHBondContact N-O 3.42Å; S41-L45 WeakPolarHBondContact OG-CA 3.4Å; S41-L45 VanDerWaalsContact OG-CB 3.26Å; S41-L45 WeakPolarHBondContact OG-CB 3.39Å; S41-L45 PolarHBondContact OG-N 3.31Å; S41-L45 PolarHBondContact OG-O 3.08Å; S41-L45 VanDerWaalsContact OG-O 3.07Å | ||
| 42 | R | 80.9 | Confident | 86.8 | Confident | 194 Ų | 194 | 64.2 Ų | 64.2 | 73% | 0.732 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.5 | 175.6 | -66 | -177.7 | 174.7 | -141.4 | -11.6 | 114.3 | M1 G44 | M1-R42 PolarHBondContact O-NE 3.02Å; M1-R42 PolarHBondContact O-NH2 2.84Å; R42-G44 VanDerWaalsContact C-N 3.25Å |
| 43 | V | 84.8 | Confident | 87.6 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 60% | 0.6 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.4 | 175.8 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | A7 M11 S41 L45 | A7-V43 HydrophobicContact CB-CG2 3.86Å; M11-V43 HydrophobicContact CE-CG2 4.47Å; S41-V43 PolarHBondContact O-N 2.77Å; S41-V43 VanDerWaalsContact O-N 3.08Å; S41-V43 VanDerWaalsContact OG-CG2 3.26Å; S41-V43 WeakPolarHBondContact OG-CG2 3.21Å; V43-L45 HydrophobicContact CG2-CD1 4.18Å; V43-L45 HydrophobicContact CG2-CG 4.12Å |
| 44 | G | 84.5 | Confident | 88.4 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 91.7 | 2.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S41 R42 | S41-G44 PolarHBondContact O-N 3.37Å; R42-G44 VanDerWaalsContact C-N 3.25Å |
| 45 | L | 90.9 | Very high | 89.6 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | trans | -77.2 | 143.6 | 170.9 | -52.7 | 172.4 | 0 | 0 | 0 | 109.9 | L10 M11 S41 V43 | L10-L45 HydrophobicContact CB-CB 4.23Å; L10-L45 HydrophobicContact CB-CD1 4.38Å; L10-L45 HydrophobicContact CD1-CB 3.71Å; L10-L45 VanDerWaalsContact CD1-O 3.3Å; L10-L45 WeakPolarHBondContact CD1-O 3.48Å; M11-L45 HydrophobicContact CE-CD1 4.02Å; M11-L45 HydrophobicContact CG-CD1 3.88Å; S41-L45 PolarHBondContact N-O 3.42Å; S41-L45 WeakPolarHBondContact OG-CA 3.4Å; S41-L45 VanDerWaalsContact OG-CB 3.26Å; S41-L45 WeakPolarHBondContact OG-CB 3.39Å; S41-L45 PolarHBondContact OG-N 3.31Å; S41-L45 PolarHBondContact OG-O 3.08Å; S41-L45 VanDerWaalsContact OG-O 3.07Å; V43-L45 HydrophobicContact CG2-CD1 4.18Å; V43-L45 HydrophobicContact CG2-CG 4.12Å | ||
| 46 | S | 93.4 | Very high | 90.7 | Very high | 76 Ų | 76 | 65.7 Ų | 65.7 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.2 | 172.4 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | V39 | V39-S46 VanDerWaalsContact O-CA 3.23Å; V39-S46 WeakPolarHBondContact O-CA 3.31Å |
| 47 | A | 94.6 | Very high | 91.5 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L10 K13 L25 V39 | L10-A47 HydrophobicContact CD2-CB 3.45Å; L10-A47 VanDerWaalsContact CD2-CB 3.45Å; K13-A47 HydrophobicContact CD-CB 4Å; L25-A47 HydrophobicContact CD2-CB 3.98Å; V39-A47 PolarHBondContact N-O 3.45Å; V39-A47 PolarHBondContact O-N 2.75Å |
| 48 | K | 94.9 | Very high | 92.1 | Very high | 164 Ų | 164 | 60.6 Ų | 60.6 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 139.3 | 169.1 | -70.2 | -166.9 | 174.6 | -167.3 | 0 | 110.2 | D37 | D37-K48 CarbonylContact O-C 3.5Å; D37-K48 WeakPolarHBondContact O-CA 3.31Å |
| 49 | A | 95.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | trans | -135.9 | 141 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L25 K27 D37 V39 A51 | L25-A49 HydrophobicContact CB-CB 4.4Å; L25-A49 HydrophobicContact CD2-CB 3.85Å; L25-A49 HydrophobicContact CG-CB 3.71Å; L25-A49 CarbonylContact O-C 3.55Å; L25-A49 VanDerWaalsContact O-CA 3.28Å; L25-A49 WeakPolarHBondContact O-CA 3.3Å; K27-A49 HydrophobicContact CB-CB 4.5Å; K27-A49 HydrophobicContact CD-CB 4.1Å; K27-A49 HydrophobicContact CG-CB 4.08Å; D37-A49 CarbonylContact C-O 3.52Å; D37-A49 WeakPolarHBondContact CA-O 3.46Å; D37-A49 PolarHBondContact O-N 3.34Å; D37-A49 VanDerWaalsContact O-O 3.07Å; V39-A49 HydrophobicContact CG2-CB 3.64Å; A49-A51 PolarHBondContact O-N 2.68Å | ||
| 50 | Q | 95.8 | Very high | 92.8 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 117.9 | 173 | 178.2 | 62.8 | 62.3 | 0 | 0 | 109 | W24 L25 I26 K27 I52 M61 | W24-Q50 HydrophobicContact CZ2-CG 4.46Å; L25-Q50 PolarHBondContact O-N 2.81Å; I26-Q50 WeakPolarHBondContact CA-O 3.48Å; I26-Q50 HydrophobicContact CG2-CB 4.21Å; K27-Q50 PolarHBondContact N-O 2.83Å; Q50-I52 HydrophobicContact CG-CD1 3.76Å; Q50-M61 HydrophobicContact CG-CE 3.89Å |
| 51 | A | 95.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K27 A36 A49 | K27-A51 CarbonylContact O-C 3.56Å; K27-A51 WeakPolarHBondContact O-CA 3.09Å; A36-A51 WeakPolarHBondContact O-CB 3.48Å; A49-A51 PolarHBondContact O-N 2.68Å |
| 52 | I | 95.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 115.2 | -178.4 | -57.7 | -62.2 | 0 | 0 | 0 | 108.2 | W24 I26 K27 P28 S29 Q50 D56 I58 M61 F80 | W24-I52 HydrophobicContact CZ2-CD1 4.46Å; I26-I52 HydrophobicContact CB-CG1 4.05Å; I26-I52 HydrophobicContact CG2-CG1 4.48Å; K27-I52 PolarHBondContact O-N 3.48Å; P28-I52 CarbonylContact C-O 3.57Å; P28-I52 WeakPolarHBondContact CA-O 3.48Å; S29-I52 PolarHBondContact N-O 3.27Å; Q50-I52 HydrophobicContact CG-CD1 3.76Å; I52-D56 HydrophobicContact CG2-CB 4.04Å; I52-I58 HydrophobicContact CG2-CD1 3.95Å; I52-I58 HydrophobicContact CG2-CG1 3.63Å; I52-M61 HydrophobicContact CD1-CE 3.66Å; I52-M61 HydrophobicContact CD1-SD 3.74Å; I52-F80 HydrophobicContact CB-CE1 3.7Å; I52-F80 HydrophobicContact CB-CZ 4.17Å; I52-F80 HydrophobicContact CG1-CE1 4.34Å; I52-F80 HydrophobicContact CG1-CZ 4.38Å; I52-F80 HydrophobicContact CG2-CD1 4.45Å; I52-F80 HydrophobicContact CG2-CE1 3.68Å; I52-F80 HydrophobicContact CG2-CZ 4.49Å |
| 53 | S | 94.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | trans | -77.1 | 159.2 | 176.3 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | S29 Q55 D56 Q84 | S29-S53 WeakPolarHBondContact OG-CA 3.43Å; S53-Q55 PolarHBondContact O-N 3.48Å; S53-Q55 VanDerWaalsContact O-N 3.13Å; S53-Q55 WeakPolarHBondContact OG-CG 3.31Å; S53-Q55 PolarHBondContact OG-NE2 3.07Å; S53-Q55 VanDerWaalsContact OG-NE2 3.09Å; S53-Q55 PolarHBondContact OG-OE1 3.42Å; S53-D56 WeakPolarHBondContact CA-OD2 3.3Å; S53-D56 VanDerWaalsContact CB-OD2 3.3Å; S53-D56 WeakPolarHBondContact CB-OD2 3.4Å; S53-D56 PolarHBondContact N-OD2 2.92Å; S53-D56 PolarHBondContact O-N 3.35Å; S53-D56 PolarHBondContact OG-OD1 3.09Å; S53-D56 VanDerWaalsContact OG-OD1 3.1Å; S53-D56 PolarHBondContact OG-OD2 2.91Å; S53-Q84 PolarHBondContact O-NE2 3.41Å | ||
| 54 | P | 88.4 | Confident | 94.7 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 49% | 0.494 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.3 | -179.9 | -26.5 | 36 | 0 | 0 | 0 | 114.7 | ||
| 55 | Q | 93.2 | Very high | 94.9 | Very high | 157 Ų | 157 | 61.8 Ų | 61.8 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -10.6 | 178.2 | 66.2 | -88.2 | 15.4 | 0 | 0 | 114.2 | S53 | S53-Q55 PolarHBondContact O-N 3.48Å; S53-Q55 VanDerWaalsContact O-N 3.13Å; S53-Q55 WeakPolarHBondContact OG-CG 3.31Å; S53-Q55 PolarHBondContact OG-NE2 3.07Å; S53-Q55 VanDerWaalsContact OG-NE2 3.09Å; S53-Q55 PolarHBondContact OG-OE1 3.42Å |
| 56 | D | 96.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | trans | -74.8 | 137.8 | -180 | -68.1 | -29.6 | 0 | 0 | 0 | 110.6 | I52 S53 M61 Q84 | I52-D56 HydrophobicContact CG2-CB 4.04Å; S53-D56 WeakPolarHBondContact CA-OD2 3.3Å; S53-D56 VanDerWaalsContact CB-OD2 3.3Å; S53-D56 WeakPolarHBondContact CB-OD2 3.4Å; S53-D56 PolarHBondContact N-OD2 2.92Å; S53-D56 PolarHBondContact O-N 3.35Å; S53-D56 PolarHBondContact OG-OD1 3.09Å; S53-D56 VanDerWaalsContact OG-OD1 3.1Å; S53-D56 PolarHBondContact OG-OD2 2.91Å; D56-M61 HydrophobicContact CB-SD 3.74Å; D56-Q84 PolarHBondContact O-NE2 3Å | ||
| 57 | D | 98.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | trans | -87.9 | 110.5 | 167.7 | -169.8 | -57.9 | 0 | 0 | 0 | 109.8 | Y59 E60 M61 Q87 | D57-Y59 VanDerWaalsContact C-N 3.29Å; D57-Y59 PolarHBondContact O-N 3.27Å; D57-Y59 WeakPolarHBondContact OD1-CA 3.38Å; D57-Y59 WeakPolarHBondContact OD1-CB 3.49Å; D57-Y59 PolarHBondContact OD1-N 3.41Å; D57-E60 HydrophobicContact CB-CB 4.09Å; D57-E60 HydrophobicContact CB-CG 4.08Å; D57-E60 PolarHBondContact OD1-N 3.43Å; D57-M61 WeakPolarHBondContact O-CB 3.4Å; D57-M61 VanDerWaalsContact O-CG 3.26Å; D57-M61 WeakPolarHBondContact O-CG 3.48Å; D57-M61 PolarHBondContact O-N 2.95Å; D57-M61 VanDerWaalsContact O-N 3.08Å; D57-Q87 PolarHBondContact OD2-NE2 2.83Å | ||
| 58 | I | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -35.9 | -176.8 | -64 | 177.7 | 0 | 0 | 0 | 111.2 | W24 I26 I52 F62 F80 Q84 Q87 L88 I91 | W24-I58 HydrophobicContact CH2-CG2 3.89Å; W24-I58 WeakPolarHBondContact CH2-O 3.46Å; W24-I58 HydrophobicContact CZ3-CG2 3.92Å; I26-I58 HydrophobicContact CD1-CD1 4.38Å; I26-I58 HydrophobicContact CD1-CG2 4.24Å; I52-I58 HydrophobicContact CG2-CD1 3.95Å; I52-I58 HydrophobicContact CG2-CG1 3.63Å; I58-F62 WeakPolarHBondContact O-CB 3.46Å; I58-F62 PolarHBondContact O-N 3.02Å; I58-F80 HydrophobicContact CD1-CD1 4.12Å; I58-F80 HydrophobicContact CD1-CE1 4.03Å; I58-F80 HydrophobicContact CD1-CZ 4.42Å; I58-Q84 HydrophobicContact CD1-CB 3.69Å; I58-Q84 HydrophobicContact CD1-CG 3.9Å; I58-Q84 HydrophobicContact CG1-CB 4.44Å; I58-Q84 HydrophobicContact CG1-CG 4.17Å; I58-Q87 HydrophobicContact CB-CB 4.14Å; I58-L88 HydrophobicContact CD1-CD1 4.41Å; I58-L88 HydrophobicContact CD1-CD2 4.47Å; I58-L88 HydrophobicContact CD1-CG 4.14Å; I58-L88 HydrophobicContact CG2-CD2 3.68Å; I58-L88 HydrophobicContact CG2-CG 4.19Å; I58-I91 HydrophobicContact CG2-CD1 4.11Å |
| 59 | Y | 98.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 14% | 0.137 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.4 | -44.3 | -176.8 | 176.7 | -87.3 | 0 | 0 | 0 | 110.9 | D57 F62 C63 R90 I91 E94 | D57-Y59 VanDerWaalsContact C-N 3.29Å; D57-Y59 PolarHBondContact O-N 3.27Å; D57-Y59 WeakPolarHBondContact OD1-CA 3.38Å; D57-Y59 WeakPolarHBondContact OD1-CB 3.49Å; D57-Y59 PolarHBondContact OD1-N 3.41Å; Y59-F62 WeakPolarHBondContact O-CB 3.48Å; Y59-F62 PolarHBondContact O-N 3.4Å; Y59-C63 VanDerWaalsContact CE1-SG 3.51Å; Y59-C63 PolarHBondContact O-N 3.08Å; Y59-C63 PolarHBondContact O-SG 3.44Å; Y59-R90 HydrophobicContact CD2-CB 3.62Å; Y59-R90 VanDerWaalsContact CE1-NH2 3.32Å; Y59-R90 HydrophobicContact CE2-CB 3.95Å; Y59-R90 HydrophobicContact CG-CB 4.4Å; Y59-I91 HydrophobicContact CD2-CG1 3.88Å; Y59-E94 HydrophobicContact CE2-CB 4.3Å; Y59-E94 VanDerWaalsContact CZ-OE2 3.29Å; Y59-E94 PolarHBondContact OH-OE2 2.75Å |
| 60 | E | 97.6 | Very high | 94.5 | Very high | 120 Ų | 120 | 63.5 Ų | 63.5 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.5 | -47.1 | 174.9 | -67.9 | -177.3 | 169.8 | 0 | 0 | 110.9 | D57 F62 C63 E64 | D57-E60 HydrophobicContact CB-CB 4.09Å; D57-E60 HydrophobicContact CB-CG 4.08Å; D57-E60 PolarHBondContact OD1-N 3.43Å; E60-F62 VanDerWaalsContact C-N 3.28Å; E60-F62 PolarHBondContact O-N 2.98Å; E60-C63 PolarHBondContact O-N 3.29Å; E60-C63 VanDerWaalsContact O-N 3.17Å; E60-E64 WeakPolarHBondContact O-CG 3.49Å; E60-E64 PolarHBondContact O-N 3.4Å |
| 61 | M | 97.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.6 | -41 | 175.8 | -73.6 | -176.9 | 70.3 | 0 | 0 | 112.6 | W24 Q50 I52 D56 D57 K65 | W24-M61 HydrophobicContact CH2-CB 4.19Å; W24-M61 HydrophobicContact CZ2-CB 4.3Å; Q50-M61 HydrophobicContact CG-CE 3.89Å; I52-M61 HydrophobicContact CD1-CE 3.66Å; I52-M61 HydrophobicContact CD1-SD 3.74Å; D56-M61 HydrophobicContact CB-SD 3.74Å; D57-M61 WeakPolarHBondContact O-CB 3.4Å; D57-M61 VanDerWaalsContact O-CG 3.26Å; D57-M61 WeakPolarHBondContact O-CG 3.48Å; D57-M61 PolarHBondContact O-N 2.95Å; D57-M61 VanDerWaalsContact O-N 3.08Å; M61-K65 PolarHBondContact O-N 3.34Å; M61-K65 VanDerWaalsContact O-N 3.14Å |
| 62 | F | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | 175.8 | 178.6 | -105.5 | 0 | 0 | 0 | 111.3 | W24 I58 Y59 E60 E64 K65 C66 R67 A69 V72 I91 C95 I97 | W24-F62 HydrophobicContact CD2-CD2 4.33Å; W24-F62 HydrophobicContact CE3-CB 4.28Å; W24-F62 AromaticContact CE3-CD2 3.48Å; W24-F62 HydrophobicContact CE3-CD2 3.48Å; W24-F62 VanDerWaalsContact CE3-CD2 3.48Å; W24-F62 HydrophobicContact CE3-CE2 4.32Å; W24-F62 HydrophobicContact CE3-CG 4.33Å; W24-F62 HydrophobicContact CH2-CB 3.89Å; W24-F62 HydrophobicContact CZ3-CB 3.54Å; W24-F62 AromaticContact CZ3-CD2 3.64Å; W24-F62 HydrophobicContact CZ3-CD2 3.64Å; W24-F62 HydrophobicContact CZ3-CG 4.03Å; I58-F62 WeakPolarHBondContact O-CB 3.46Å; I58-F62 PolarHBondContact O-N 3.02Å; Y59-F62 WeakPolarHBondContact O-CB 3.48Å; Y59-F62 PolarHBondContact O-N 3.4Å; E60-F62 VanDerWaalsContact C-N 3.28Å; E60-F62 PolarHBondContact O-N 2.98Å; F62-E64 VanDerWaalsContact C-N 3.31Å; F62-E64 PolarHBondContact O-N 2.84Å; F62-K65 PolarHBondContact O-N 3.05Å; F62-C66 HydrophobicContact CD2-CB 4Å; F62-C66 HydrophobicContact CE2-CB 4.39Å; F62-C66 WeakPolarHBondContact CE2-O 3.2Å; F62-C66 CarbonylContact O-C 3.47Å; F62-C66 VanDerWaalsContact O-C 3.27Å; F62-C66 WeakPolarHBondContact O-CA 3.47Å; F62-C66 PolarHBondContact O-N 2.82Å; F62-R67 PolarHBondContact O-N 3.32Å; F62-A69 HydrophobicContact CE2-CB 4.2Å; F62-V72 HydrophobicContact CD2-CG2 4.17Å; F62-V72 HydrophobicContact CE2-CG2 3.96Å; F62-I91 HydrophobicContact CB-CD1 3.63Å; F62-I91 HydrophobicContact CB-CG1 4.17Å; F62-I91 HydrophobicContact CD1-CD1 4.1Å; F62-I91 HydrophobicContact CD1-CG1 3.89Å; F62-I91 HydrophobicContact CD1-CG2 3.96Å; F62-I91 HydrophobicContact CD2-CD1 4.13Å; F62-I91 HydrophobicContact CD2-CG2 4.47Å; F62-I91 HydrophobicContact CE1-CG2 3.79Å; F62-I91 HydrophobicContact CE2-CG2 4.29Å; F62-I91 HydrophobicContact CG-CD1 3.67Å; F62-I91 HydrophobicContact CG-CG1 4Å; F62-I91 HydrophobicContact CG-CG2 4.31Å; F62-I91 HydrophobicContact CZ-CG2 3.97Å; F62-C95 HydrophobicContact CE1-CB 3.98Å; F62-I97 HydrophobicContact CZ-CB 4.35Å; F62-I97 HydrophobicContact CZ-CG1 3.98Å; F62-I97 HydrophobicContact CZ-CG2 4.3Å |
| 63 | C | 95.6 | Very high | 95 | Very high | 42 Ų | 42 | 58 Ų | 58 | 28% | 0.284 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | -176.9 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | Y59 E60 | Y59-C63 VanDerWaalsContact CE1-SG 3.51Å; Y59-C63 PolarHBondContact O-N 3.08Å; Y59-C63 PolarHBondContact O-SG 3.44Å; E60-C63 PolarHBondContact O-N 3.29Å; E60-C63 VanDerWaalsContact O-N 3.17Å |
| 64 | E | 93.2 | Very high | 95.1 | Very high | 145 Ų | 145 | 57.2 Ų | 57.2 | 68% | 0.678 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.6 | -43.3 | -178.5 | -72.3 | -175.7 | 168.9 | 0 | 0 | 113.4 | E60 F62 | E60-E64 WeakPolarHBondContact O-CG 3.49Å; E60-E64 PolarHBondContact O-N 3.4Å; F62-E64 VanDerWaalsContact C-N 3.31Å; F62-E64 PolarHBondContact O-N 2.84Å |
| 65 | K | 87.6 | Confident | 95.5 | Very high | 137 Ų | 137 | 53.7 Ų | 53.7 | 60% | 0.596 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -120.3 | -19.9 | -162.5 | -64.1 | 176 | -172.7 | 168.2 | 0 | 114.4 | M61 F62 | M61-K65 PolarHBondContact O-N 3.34Å; M61-K65 VanDerWaalsContact O-N 3.14Å; F62-K65 PolarHBondContact O-N 3.05Å |
| 66 | C | 89.5 | Confident | 95.5 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | 15.7 | -165.5 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | W24 F62 N68 A69 | W24-C66 HydrophobicContact CB-CB 4.28Å; W24-C66 HydrophobicContact CD2-CB 3.86Å; W24-C66 HydrophobicContact CE3-CB 4.38Å; W24-C66 HydrophobicContact CG-CB 3.84Å; W24-C66 PolarHBondContact NE1-SG 3.05Å; F62-C66 HydrophobicContact CD2-CB 4Å; F62-C66 HydrophobicContact CE2-CB 4.39Å; F62-C66 WeakPolarHBondContact CE2-O 3.2Å; F62-C66 CarbonylContact O-C 3.47Å; F62-C66 VanDerWaalsContact O-C 3.27Å; F62-C66 WeakPolarHBondContact O-CA 3.47Å; F62-C66 PolarHBondContact O-N 2.82Å; C66-N68 PolarHBondContact O-N 3.35Å; C66-N68 VanDerWaalsContact O-N 3.07Å; C66-A69 WeakPolarHBondContact O-CB 3.49Å; C66-A69 PolarHBondContact O-N 2.9Å |
| 67 | R | 86.2 | Confident | 95.5 | Very high | 178 Ų | 178 | 43.9 Ų | 43.9 | 67% | 0.672 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.9 | -178.6 | -166.8 | 171.8 | -171.3 | -90.5 | -3.7 | 114.1 | F62 A69 | F62-R67 PolarHBondContact O-N 3.32Å; R67-A69 VanDerWaalsContact C-N 3.33Å |
| 68 | N | 92 | Very high | 95.4 | Very high | 122 Ų | 122 | 42.1 Ų | 42.1 | 65% | 0.652 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.3 | 174.3 | 67.6 | -43.4 | 0 | 0 | 0 | 113.6 | T22 C66 | T22-N68 PolarHBondContact OG1-O 3.1Å; C66-N68 PolarHBondContact O-N 3.35Å; C66-N68 VanDerWaalsContact O-N 3.07Å |
| 69 | A | 96.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | trans | -66.2 | 136.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | T22 W24 F62 C66 R67 I97 | T22-A69 VanDerWaalsContact OG1-CA 3.24Å; T22-A69 WeakPolarHBondContact OG1-CA 3.36Å; W24-A69 HydrophobicContact CB-CB 3.94Å; F62-A69 HydrophobicContact CE2-CB 4.2Å; C66-A69 WeakPolarHBondContact O-CB 3.49Å; C66-A69 PolarHBondContact O-N 2.9Å; R67-A69 VanDerWaalsContact C-N 3.33Å; A69-I97 WeakPolarHBondContact O-CD1 3.3Å | ||
| 70 | D | 98 | Very high | 95.2 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -82 | -17.5 | 175.3 | -62.8 | -94.1 | 0 | 0 | 0 | 112.6 | R21 T22 P98 | R21-D70 WeakPolarHBondContact CA-OD2 3.41Å; R21-D70 HydrophobicContact CB-CB 3.98Å; R21-D70 VanDerWaalsContact CD-CG 3.47Å; R21-D70 VanDerWaalsContact CD-OD1 3.31Å; R21-D70 WeakPolarHBondContact CD-OD1 3.44Å; R21-D70 HydrophobicContact CG-CB 4.46Å; R21-D70 IonicContact CZ-OD1 3.82Å; R21-D70 IonicContact NH1-OD1 2.85Å; R21-D70 PolarHBondContact NH1-OD1 3.4Å; T22-D70 PolarHBondContact N-OD2 3.11Å; T22-D70 PolarHBondContact O-N 2.82Å; T22-D70 PolarHBondContact OG1-N 2.71Å; T22-D70 VanDerWaalsContact OG1-N 3.17Å; T22-D70 PolarHBondContact OG1-OD2 2.77Å; D70-P98 WeakPolarHBondContact O-CD 3.43Å; D70-P98 WeakPolarHBondContact O-CG 3.28Å |
| 71 | V | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 145.6 | 178.9 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | Y16 T22 V23 W24 I73 P98 L100 | Y16-V71 HydrophobicContact CD1-CB 4.1Å; Y16-V71 HydrophobicContact CD1-CG1 3.5Å; Y16-V71 VanDerWaalsContact CD1-CG1 3.5Å; Y16-V71 HydrophobicContact CD2-CG1 3.97Å; Y16-V71 HydrophobicContact CE1-CB 3.69Å; Y16-V71 HydrophobicContact CE1-CG1 3.62Å; Y16-V71 HydrophobicContact CE1-CG2 4.25Å; Y16-V71 HydrophobicContact CE2-CB 4.38Å; Y16-V71 HydrophobicContact CE2-CG1 4.08Å; Y16-V71 HydrophobicContact CE2-CG2 4.18Å; Y16-V71 HydrophobicContact CG-CG1 3.68Å; T22-V71 PolarHBondContact O-N 2.94Å; V23-V71 HydrophobicContact CB-CG1 4.19Å; V23-V71 HydrophobicContact CG1-CG1 4.09Å; V23-V71 HydrophobicContact CG2-CG1 3.72Å; W24-V71 PolarHBondContact N-O 3.49Å; V71-I73 HydrophobicContact CG1-CG1 4.46Å; V71-I73 HydrophobicContact CG2-CG1 4.13Å; V71-P98 HydrophobicContact CB-CG 4.07Å; V71-P98 HydrophobicContact CG2-CB 4.38Å; V71-P98 HydrophobicContact CG2-CG 4.02Å; V71-P98 WeakPolarHBondContact CG2-O 3.35Å; V71-L100 HydrophobicContact CG2-CD1 4.12Å; V71-L100 HydrophobicContact CG2-CG 4.21Å |
| 72 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.8 | 167 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | W24 I26 F62 L88 I91 I97 P98 V99 L100 | W24-V72 HydrophobicContact CD2-CG1 4.48Å; W24-V72 HydrophobicContact CE3-CB 4.37Å; W24-V72 HydrophobicContact CE3-CG1 3.7Å; W24-V72 HydrophobicContact CE3-CG2 3.81Å; W24-V72 HydrophobicContact CZ3-CG1 4.29Å; W24-V72 WeakPolarHBondContact O-CA 3.34Å; I26-V72 HydrophobicContact CD1-CG1 4.14Å; I26-V72 HydrophobicContact CG1-CG1 4.39Å; F62-V72 HydrophobicContact CD2-CG2 4.17Å; F62-V72 HydrophobicContact CE2-CG2 3.96Å; V72-L88 HydrophobicContact CG1-CD2 4.21Å; V72-I91 HydrophobicContact CG2-CD1 4.48Å; V72-I91 HydrophobicContact CG2-CG2 4.13Å; V72-I97 HydrophobicContact CG2-CG2 4.09Å; V72-P98 PolarHBondContact N-O 3.25Å; V72-V99 HydrophobicContact CB-CB 4.49Å; V72-V99 HydrophobicContact CB-CG1 4.39Å; V72-V99 HydrophobicContact CB-CG2 4.02Å; V72-V99 HydrophobicContact CG2-CG2 4.26Å; V72-V99 CarbonylContact O-C 3.6Å; V72-V99 WeakPolarHBondContact O-CA 3.35Å; V72-L100 PolarHBondContact O-N 3.17Å |
| 73 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.2 | 174.3 | -60.3 | -176.9 | 0 | 0 | 0 | 108.2 | A9 T12 K13 V23 W24 L25 I26 V71 L100 F102 | A9-I73 HydrophobicContact CB-CG2 4.01Å; T12-I73 HydrophobicContact CG2-CD1 3.78Å; K13-I73 HydrophobicContact CB-CD1 3.96Å; V23-I73 HydrophobicContact CG1-CB 4.29Å; V23-I73 HydrophobicContact CG1-CD1 3.71Å; V23-I73 HydrophobicContact CG1-CG1 3.89Å; W24-I73 PolarHBondContact O-N 2.93Å; L25-I73 CarbonylContact C-O 3.52Å; L25-I73 WeakPolarHBondContact CA-O 3.5Å; L25-I73 HydrophobicContact CD1-CB 3.9Å; L25-I73 HydrophobicContact CD1-CG2 3.64Å; I26-I73 PolarHBondContact N-O 2.61Å; V71-I73 HydrophobicContact CG1-CG1 4.46Å; V71-I73 HydrophobicContact CG2-CG1 4.13Å; I73-L100 WeakPolarHBondContact CA-O 3.47Å; I73-L100 HydrophobicContact CG1-CB 4.46Å; I73-F102 HydrophobicContact CG2-CD2 4.06Å; I73-F102 HydrophobicContact CG2-CE2 3.89Å |
| 74 | S | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.2 | -176.3 | 171.9 | 0 | 0 | 0 | 0 | 109.3 | I26 S77 F80 L100 F102 | I26-S74 WeakPolarHBondContact O-CA 3.49Å; S74-S77 WeakPolarHBondContact CB-OG 3.49Å; S74-S77 PolarHBondContact O-OG 2.91Å; S74-S77 VanDerWaalsContact O-OG 3.09Å; S74-S77 PolarHBondContact OG-OG 3.02Å; S74-F80 WeakPolarHBondContact OG-CE2 3.28Å; S74-L100 PolarHBondContact N-O 3.4Å; S74-F102 PolarHBondContact O-N 3.32Å |
| 75 | D | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 149.4 | 173.4 | -165.3 | 30.1 | 0 | 0 | 0 | 111.7 | S6 A9 I26 P28 V39 S77 F102 | S6-D75 VanDerWaalsContact CB-OD2 3.24Å; S6-D75 WeakPolarHBondContact CB-OD2 3.45Å; S6-D75 PolarHBondContact OG-OD2 3.25Å; A9-D75 HydrophobicContact CB-CB 4.41Å; I26-D75 PolarHBondContact O-N 3.32Å; P28-D75 WeakPolarHBondContact CD-O 3.22Å; V39-D75 HydrophobicContact CG1-CB 4.31Å; V39-D75 VanDerWaalsContact CG1-OD2 3.3Å; V39-D75 WeakPolarHBondContact CG1-OD2 3.37Å; V39-D75 HydrophobicContact CG2-CB 4.09Å; D75-S77 PolarHBondContact O-N 3.49Å; D75-F102 CarbonylContact C-O 3.27Å |
| 76 | E | 94 | Very high | 96.1 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 48.9 | 41.2 | -171.8 | -57.4 | -65.1 | 172.1 | 0 | 0 | 114.3 | K5 P28 R33 Q78 F79 F102 | K5-E76 VanDerWaalsContact CE-OE2 3.27Å; K5-E76 WeakPolarHBondContact CE-OE2 3.43Å; K5-E76 IonicContact NZ-OE1 3.91Å; K5-E76 PolarHBondContact NZ-OE1 2.79Å; K5-E76 IonicContact NZ-OE2 2.72Å; K5-E76 PolarHBondContact NZ-OE2 2.69Å; K5-E76 VanDerWaalsContact NZ-OE2 3.1Å; P28-E76 HydrophobicContact CG-CB 4.34Å; R33-E76 IonicContact CZ-OE1 3.12Å; R33-E76 IonicContact NH1-OE1 3.79Å; R33-E76 PolarHBondContact NH1-OE1 3.22Å; R33-E76 IonicContact NH2-OE1 2.59Å; R33-E76 PolarHBondContact NH2-OE1 2.67Å; E76-Q78 VanDerWaalsContact C-OE1 3.26Å; E76-Q78 PolarHBondContact O-N 2.63Å; E76-Q78 PolarHBondContact O-OE1 3.46Å; E76-Q78 PolarHBondContact OE2-NE2 2.81Å; E76-Q78 PolarHBondContact OE2-OE1 3.44Å; E76-F79 HydrophobicContact CB-CD2 4.03Å; E76-F79 HydrophobicContact CB-CE2 4.34Å; E76-F79 PolarHBondContact O-N 2.99Å; E76-F79 VanDerWaalsContact O-N 3.16Å; E76-F102 VanDerWaalsContact CA-O 3.32Å; E76-F102 WeakPolarHBondContact CA-O 3.05Å; E76-F102 PolarHBondContact N-O 2.67Å |
| 77 | S | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -59.8 | -15 | -172.5 | -41 | 0 | 0 | 0 | 0 | 114.6 | S74 D75 F79 F80 C101 F102 | S74-S77 WeakPolarHBondContact CB-OG 3.49Å; S74-S77 PolarHBondContact O-OG 2.91Å; S74-S77 VanDerWaalsContact O-OG 3.09Å; S74-S77 PolarHBondContact OG-OG 3.02Å; D75-S77 PolarHBondContact O-N 3.49Å; S77-F79 PolarHBondContact O-N 3.22Å; S77-F79 VanDerWaalsContact O-N 3.15Å; S77-F80 PolarHBondContact O-N 3.38Å; S77-F80 VanDerWaalsContact O-N 3.16Å; S77-C101 WeakPolarHBondContact OG-CB 3.47Å; S77-F102 PolarHBondContact N-O 3.03Å; S77-F102 PolarHBondContact OG-N 2.79Å; S77-F102 PolarHBondContact OG-O 2.77Å |
| 78 | Q | 95.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -61.4 | -20.7 | 176.6 | 74.2 | -85.1 | -3.8 | 0 | 0 | 114 | E76 L104 F113 S116 | E76-Q78 VanDerWaalsContact C-OE1 3.26Å; E76-Q78 PolarHBondContact O-N 2.63Å; E76-Q78 PolarHBondContact O-OE1 3.46Å; E76-Q78 PolarHBondContact OE2-NE2 2.81Å; E76-Q78 PolarHBondContact OE2-OE1 3.44Å; Q78-L104 WeakPolarHBondContact CB-O 3.43Å; Q78-L104 HydrophobicContact CG-CB 4.24Å; Q78-F113 HydrophobicContact CB-CB 3.85Å; Q78-F113 HydrophobicContact CB-CD2 3.75Å; Q78-F113 HydrophobicContact CB-CE2 4.42Å; Q78-F113 HydrophobicContact CB-CG 3.8Å; Q78-F113 HydrophobicContact CG-CB 4.45Å; Q78-F113 HydrophobicContact CG-CD1 4.22Å; Q78-F113 HydrophobicContact CG-CD2 3.82Å; Q78-F113 HydrophobicContact CG-CE1 4.43Å; Q78-F113 HydrophobicContact CG-CE2 4.03Å; Q78-F113 HydrophobicContact CG-CG 3.92Å; Q78-F113 HydrophobicContact CG-CZ 4.34Å; Q78-F113 WeakPolarHBondContact O-CB 3.39Å; Q78-S116 WeakPolarHBondContact CA-OG 3.37Å; Q78-S116 WeakPolarHBondContact CB-OG 3.3Å |
| 79 | F | 95.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 23.3 Ų | 23.3 | 39% | 0.39 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -92.5 | -0.4 | -179.7 | -59.3 | -56.9 | 0 | 0 | 0 | 113.8 | P28 V30 E76 S77 F113 | P28-F79 HydrophobicContact CB-CB 4.05Å; P28-F79 HydrophobicContact CG-CB 3.8Å; P28-F79 HydrophobicContact CG-CD2 4.3Å; V30-F79 HydrophobicContact CG2-CB 3.56Å; V30-F79 HydrophobicContact CG2-CD1 4.48Å; V30-F79 HydrophobicContact CG2-CD2 4.2Å; V30-F79 HydrophobicContact CG2-CG 3.87Å; E76-F79 HydrophobicContact CB-CD2 4.03Å; E76-F79 HydrophobicContact CB-CE2 4.34Å; E76-F79 PolarHBondContact O-N 2.99Å; E76-F79 VanDerWaalsContact O-N 3.16Å; S77-F79 PolarHBondContact O-N 3.22Å; S77-F79 VanDerWaalsContact O-N 3.15Å; F79-F113 HydrophobicContact CE1-CD1 4.38Å; F79-F113 AromaticContact CE1-CE1 3.96Å; F79-F113 HydrophobicContact CE1-CE1 3.96Å |
| 80 | F | 97.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -71.7 | 152.7 | 169.1 | -74.8 | -54.7 | 0 | 0 | 0 | 111.6 | I26 P28 I52 I58 S74 S77 Q84 I85 G115 | I26-F80 HydrophobicContact CD1-CE2 4.45Å; I26-F80 HydrophobicContact CD1-CZ 4.25Å; I26-F80 HydrophobicContact CG1-CZ 4.46Å; P28-F80 HydrophobicContact CB-CD1 4.11Å; P28-F80 HydrophobicContact CB-CE1 3.77Å; P28-F80 HydrophobicContact CB-CE2 4.49Å; P28-F80 HydrophobicContact CB-CZ 3.99Å; P28-F80 HydrophobicContact CG-CE2 4.48Å; P28-F80 HydrophobicContact CG-CZ 4.35Å; I52-F80 HydrophobicContact CB-CE1 3.7Å; I52-F80 HydrophobicContact CB-CZ 4.17Å; I52-F80 HydrophobicContact CG1-CE1 4.34Å; I52-F80 HydrophobicContact CG1-CZ 4.38Å; I52-F80 HydrophobicContact CG2-CD1 4.45Å; I52-F80 HydrophobicContact CG2-CE1 3.68Å; I52-F80 HydrophobicContact CG2-CZ 4.49Å; I58-F80 HydrophobicContact CD1-CD1 4.12Å; I58-F80 HydrophobicContact CD1-CE1 4.03Å; I58-F80 HydrophobicContact CD1-CZ 4.42Å; S74-F80 WeakPolarHBondContact OG-CE2 3.28Å; S77-F80 PolarHBondContact O-N 3.38Å; S77-F80 VanDerWaalsContact O-N 3.16Å; F80-Q84 HydrophobicContact CB-CB 4.07Å; F80-Q84 HydrophobicContact CD1-CB 4.21Å; F80-Q84 HydrophobicContact CG-CB 4.4Å; F80-I85 HydrophobicContact CB-CD1 3.75Å; F80-I85 HydrophobicContact CB-CG1 4.31Å; F80-I85 HydrophobicContact CD2-CD1 4.44Å; F80-I85 HydrophobicContact CG-CD1 4.48Å; F80-G115 WeakPolarHBondContact O-CA 3.4Å; F80-G115 PolarHBondContact O-N 2.97Å |
| 81 | T | 96.5 | Very high | 97.6 | Very high | 53 Ų | 53 | 25.3 Ų | 25.3 | 33% | 0.325 | 13% | 0.125 | S | C | . | . | trans | -72.4 | 159.8 | 171 | 69.7 | 0 | 0 | 0 | 0 | 110.3 | A83 Q84 I85 | T81-A83 VanDerWaalsContact C-N 3.25Å; T81-A83 PolarHBondContact O-N 3.15Å; T81-Q84 VanDerWaalsContact N-OE1 3.16Å; T81-Q84 WeakPolarHBondContact O-CB 3.48Å; T81-Q84 PolarHBondContact O-N 3.49Å; T81-Q84 VanDerWaalsContact O-N 3.11Å; T81-Q84 WeakPolarHBondContact OG1-CB 3.24Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.22Å; T81-Q84 PolarHBondContact OG1-N 2.82Å; T81-Q84 VanDerWaalsContact OG1-N 3.15Å; T81-Q84 PolarHBondContact OG1-OE1 2.74Å; T81-I85 WeakPolarHBondContact O-CG1 3.3Å; T81-I85 PolarHBondContact O-N 2.96Å | ||
| 82 | E | 97.7 | Very high | 97.5 | Very high | 64 Ų | 64 | 27.1 Ų | 27.1 | 30% | 0.299 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 176.9 | -57.8 | -172.1 | 148.3 | 0 | 0 | 111.4 | Q84 I85 D86 P114 R117 R118 | E82-Q84 VanDerWaalsContact C-N 3.31Å; E82-Q84 PolarHBondContact O-N 3.47Å; E82-I85 WeakPolarHBondContact O-CB 3.41Å; E82-I85 PolarHBondContact O-N 2.74Å; E82-I85 VanDerWaalsContact O-N 3.12Å; E82-D86 PolarHBondContact O-N 2.9Å; E82-P114 HydrophobicContact CG-CB 4.33Å; E82-R117 IonicContact OE1-CZ 3.19Å; E82-R117 IonicContact OE1-NE 3.89Å; E82-R117 PolarHBondContact OE1-NE 3.33Å; E82-R117 IonicContact OE1-NH2 2.67Å; E82-R117 PolarHBondContact OE1-NH2 2.91Å; E82-R117 IonicContact OE2-NH2 2.77Å; E82-R118 HydrophobicContact CB-CB 4.07Å; E82-R118 HydrophobicContact CB-CG 4.12Å; E82-R118 HydrophobicContact CG-CB 4.01Å |
| 83 | A | 98.3 | Very high | 97.5 | Very high | 57 Ų | 57 | 31.7 Ų | 31.7 | 47% | 0.471 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T81 I85 D86 Q87 | T81-A83 VanDerWaalsContact C-N 3.25Å; T81-A83 PolarHBondContact O-N 3.15Å; A83-I85 VanDerWaalsContact C-N 3.33Å; A83-D86 WeakPolarHBondContact O-CB 3.11Å; A83-D86 PolarHBondContact O-N 3.17Å; A83-Q87 WeakPolarHBondContact O-CG 3.05Å; A83-Q87 PolarHBondContact O-N 2.76Å |
| 84 | Q | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.9 | -33 | 175.6 | -79.4 | 173.2 | -32.6 | 0 | 0 | 112.8 | S53 D56 I58 F80 T81 E82 Q87 L88 | S53-Q84 PolarHBondContact O-NE2 3.41Å; D56-Q84 PolarHBondContact O-NE2 3Å; I58-Q84 HydrophobicContact CD1-CB 3.69Å; I58-Q84 HydrophobicContact CD1-CG 3.9Å; I58-Q84 HydrophobicContact CG1-CB 4.44Å; I58-Q84 HydrophobicContact CG1-CG 4.17Å; F80-Q84 HydrophobicContact CB-CB 4.07Å; F80-Q84 HydrophobicContact CD1-CB 4.21Å; F80-Q84 HydrophobicContact CG-CB 4.4Å; T81-Q84 VanDerWaalsContact N-OE1 3.16Å; T81-Q84 WeakPolarHBondContact O-CB 3.48Å; T81-Q84 PolarHBondContact O-N 3.49Å; T81-Q84 VanDerWaalsContact O-N 3.11Å; T81-Q84 WeakPolarHBondContact OG1-CB 3.24Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.22Å; T81-Q84 PolarHBondContact OG1-N 2.82Å; T81-Q84 VanDerWaalsContact OG1-N 3.15Å; T81-Q84 PolarHBondContact OG1-OE1 2.74Å; E82-Q84 VanDerWaalsContact C-N 3.31Å; E82-Q84 PolarHBondContact O-N 3.47Å; Q84-Q87 PolarHBondContact O-N 3.22Å; Q84-L88 WeakPolarHBondContact O-CG 3.5Å; Q84-L88 PolarHBondContact O-N 2.83Å |
| 85 | I | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -38.7 | 171.2 | -60.3 | -51.2 | 0 | 0 | 0 | 111.1 | F80 T81 E82 A83 L88 R89 R118 L119 I122 | F80-I85 HydrophobicContact CB-CD1 3.75Å; F80-I85 HydrophobicContact CB-CG1 4.31Å; F80-I85 HydrophobicContact CD2-CD1 4.44Å; F80-I85 HydrophobicContact CG-CD1 4.48Å; T81-I85 WeakPolarHBondContact O-CG1 3.3Å; T81-I85 PolarHBondContact O-N 2.96Å; E82-I85 WeakPolarHBondContact O-CB 3.41Å; E82-I85 PolarHBondContact O-N 2.74Å; E82-I85 VanDerWaalsContact O-N 3.12Å; A83-I85 VanDerWaalsContact C-N 3.33Å; I85-L88 HydrophobicContact CD1-CD1 4.11Å; I85-L88 WeakPolarHBondContact O-CB 3.46Å; I85-L88 PolarHBondContact O-N 2.82Å; I85-R89 PolarHBondContact O-N 3Å; I85-R118 HydrophobicContact CB-CB 4.01Å; I85-R118 HydrophobicContact CB-CG 3.71Å; I85-R118 HydrophobicContact CG1-CB 4.24Å; I85-R118 HydrophobicContact CG1-CG 4.47Å; I85-R118 HydrophobicContact CG2-CB 3.95Å; I85-R118 HydrophobicContact CG2-CG 3.56Å; I85-L119 HydrophobicContact CD1-CD1 3.95Å; I85-L119 HydrophobicContact CD1-CD2 3.94Å; I85-L119 HydrophobicContact CD1-CG 3.72Å; I85-L119 HydrophobicContact CG1-CG 4.1Å; I85-L119 HydrophobicContact CG2-CD2 3.76Å; I85-L119 HydrophobicContact CG2-CG 3.88Å; I85-I122 HydrophobicContact CG2-CD1 3.63Å; I85-I122 HydrophobicContact CG2-CG1 4.29Å |
| 86 | D | 98.7 | Very high | 97.3 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 173.1 | -69.7 | -35.7 | 0 | 0 | 0 | 112.3 | E82 A83 L88 R89 R90 R118 | E82-D86 PolarHBondContact O-N 2.9Å; A83-D86 WeakPolarHBondContact O-CB 3.11Å; A83-D86 PolarHBondContact O-N 3.17Å; D86-L88 VanDerWaalsContact C-N 3.35Å; D86-L88 PolarHBondContact O-N 3.18Å; D86-R89 WeakPolarHBondContact O-CB 3.36Å; D86-R89 PolarHBondContact O-N 3.03Å; D86-R90 WeakPolarHBondContact O-CG 3.38Å; D86-R90 PolarHBondContact O-N 2.79Å; D86-R118 IonicContact OD1-CZ 3.69Å; D86-R118 IonicContact OD1-NE 2.79Å; D86-R118 PolarHBondContact OD1-NE 3.03Å; D86-R118 IonicContact OD1-NH2 3.97Å; D86-R118 PolarHBondContact OD1-NH2 2.67Å; D86-R118 IonicContact OD2-NE 2.63Å; D86-R118 IonicContact OD2-NH2 2.67Å |
| 87 | Q | 98.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 173 | -71.6 | 160.5 | -1.4 | 0 | 0 | 111.8 | D57 I58 A83 Q84 R89 R90 I91 | D57-Q87 PolarHBondContact OD2-NE2 2.83Å; I58-Q87 HydrophobicContact CB-CB 4.14Å; A83-Q87 WeakPolarHBondContact O-CG 3.05Å; A83-Q87 PolarHBondContact O-N 2.76Å; Q84-Q87 PolarHBondContact O-N 3.22Å; Q87-R89 VanDerWaalsContact C-N 3.34Å; Q87-R90 WeakPolarHBondContact O-CB 3.32Å; Q87-R90 PolarHBondContact O-N 3.09Å; Q87-I91 PolarHBondContact O-N 3.44Å |
| 88 | L | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.4 | -76.4 | 172.8 | 0 | 0 | 0 | 111.7 | I26 I58 V72 Q84 I85 D86 R90 I91 V92 V99 | I26-L88 HydrophobicContact CD1-CD2 3.84Å; I58-L88 HydrophobicContact CD1-CD1 4.41Å; I58-L88 HydrophobicContact CD1-CD2 4.47Å; I58-L88 HydrophobicContact CD1-CG 4.14Å; I58-L88 HydrophobicContact CG2-CD2 3.68Å; I58-L88 HydrophobicContact CG2-CG 4.19Å; V72-L88 HydrophobicContact CG1-CD2 4.21Å; Q84-L88 WeakPolarHBondContact O-CG 3.5Å; Q84-L88 PolarHBondContact O-N 2.83Å; I85-L88 HydrophobicContact CD1-CD1 4.11Å; I85-L88 WeakPolarHBondContact O-CB 3.46Å; I85-L88 PolarHBondContact O-N 2.82Å; D86-L88 VanDerWaalsContact C-N 3.35Å; D86-L88 PolarHBondContact O-N 3.18Å; L88-R90 VanDerWaalsContact C-N 3.31Å; L88-R90 PolarHBondContact O-N 3.35Å; L88-I91 HydrophobicContact CD2-CD1 4.38Å; L88-I91 WeakPolarHBondContact O-CB 3.31Å; L88-I91 PolarHBondContact O-N 2.65Å; L88-V92 PolarHBondContact O-N 3.05Å; L88-V99 HydrophobicContact CB-CG1 4.21Å; L88-V99 HydrophobicContact CD2-CG1 3.92Å; L88-V99 HydrophobicContact CG-CG1 4.45Å |
| 89 | R | 98.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 28% | 0.275 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 174.9 | 174.6 | 63.3 | -171.7 | -143 | 17.7 | 112.2 | I85 D86 Q87 I91 V92 D93 I122 D124 | I85-R89 PolarHBondContact O-N 3Å; D86-R89 WeakPolarHBondContact O-CB 3.36Å; D86-R89 PolarHBondContact O-N 3.03Å; Q87-R89 VanDerWaalsContact C-N 3.34Å; R89-I91 VanDerWaalsContact C-N 3.26Å; R89-I91 PolarHBondContact O-N 3.31Å; R89-V92 WeakPolarHBondContact O-CA 3.42Å; R89-V92 WeakPolarHBondContact O-CB 3.16Å; R89-V92 PolarHBondContact O-N 2.77Å; R89-D93 WeakPolarHBondContact CG-OD2 3.38Å; R89-D93 IonicContact CZ-OD1 3.05Å; R89-D93 IonicContact CZ-OD2 2.81Å; R89-D93 VanDerWaalsContact NE-CG 3.28Å; R89-D93 IonicContact NE-OD1 3.25Å; R89-D93 PolarHBondContact NE-OD1 2.87Å; R89-D93 IonicContact NE-OD2 2.86Å; R89-D93 PolarHBondContact NE-OD2 3.49Å; R89-D93 IonicContact NH2-OD1 3.66Å; R89-D93 PolarHBondContact NH2-OD1 2.88Å; R89-D93 IonicContact NH2-OD2 3.36Å; R89-D93 PolarHBondContact O-N 3.34Å; R89-I122 HydrophobicContact CB-CD1 3.74Å; R89-I122 HydrophobicContact CG-CD1 4.14Å; R89-I122 PolarHBondContact NH1-O 3.1Å; R89-I122 VanDerWaalsContact NH1-O 3.13Å; R89-D124 IonicContact NH1-OD1 3.57Å; R89-D124 PolarHBondContact NH1-OD1 3.4Å; R89-D124 IonicContact NH1-OD2 3.9Å |
| 90 | R | 98.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 48.7 Ų | 48.7 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -33.4 | 175.4 | -71.4 | 174.9 | 64.3 | -153.6 | -5.2 | 113 | Y59 D86 Q87 L88 V92 D93 E94 | Y59-R90 HydrophobicContact CD2-CB 3.62Å; Y59-R90 VanDerWaalsContact CE1-NH2 3.32Å; Y59-R90 HydrophobicContact CE2-CB 3.95Å; Y59-R90 HydrophobicContact CG-CB 4.4Å; D86-R90 WeakPolarHBondContact O-CG 3.38Å; D86-R90 PolarHBondContact O-N 2.79Å; Q87-R90 WeakPolarHBondContact O-CB 3.32Å; Q87-R90 PolarHBondContact O-N 3.09Å; L88-R90 VanDerWaalsContact C-N 3.31Å; L88-R90 PolarHBondContact O-N 3.35Å; R90-V92 VanDerWaalsContact C-N 3.31Å; R90-V92 PolarHBondContact O-N 3.22Å; R90-D93 PolarHBondContact O-N 3.34Å; R90-E94 IonicContact CZ-OE1 3.88Å; R90-E94 IonicContact NE-OE1 2.96Å; R90-E94 PolarHBondContact NE-OE1 3.35Å; R90-E94 IonicContact NH2-OE1 3.88Å; R90-E94 PolarHBondContact NH2-OE1 2.77Å; R90-E94 IonicContact NH2-OE2 3.65Å; R90-E94 VanDerWaalsContact O-CB 3.24Å; R90-E94 WeakPolarHBondContact O-CB 3.47Å; R90-E94 WeakPolarHBondContact O-CG 3.12Å; R90-E94 PolarHBondContact O-N 2.94Å |
| 91 | I | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 173.2 | -64.2 | 171.5 | 0 | 0 | 0 | 110.4 | W24 I58 Y59 F62 V72 Q87 L88 R89 C95 I97 V99 | W24-I91 HydrophobicContact CZ3-CD1 4.08Å; I58-I91 HydrophobicContact CG2-CD1 4.11Å; Y59-I91 HydrophobicContact CD2-CG1 3.88Å; F62-I91 HydrophobicContact CB-CD1 3.63Å; F62-I91 HydrophobicContact CB-CG1 4.17Å; F62-I91 HydrophobicContact CD1-CD1 4.1Å; F62-I91 HydrophobicContact CD1-CG1 3.89Å; F62-I91 HydrophobicContact CD1-CG2 3.96Å; F62-I91 HydrophobicContact CD2-CD1 4.13Å; F62-I91 HydrophobicContact CD2-CG2 4.47Å; F62-I91 HydrophobicContact CE1-CG2 3.79Å; F62-I91 HydrophobicContact CE2-CG2 4.29Å; F62-I91 HydrophobicContact CG-CD1 3.67Å; F62-I91 HydrophobicContact CG-CG1 4Å; F62-I91 HydrophobicContact CG-CG2 4.31Å; F62-I91 HydrophobicContact CZ-CG2 3.97Å; V72-I91 HydrophobicContact CG2-CD1 4.48Å; V72-I91 HydrophobicContact CG2-CG2 4.13Å; Q87-I91 PolarHBondContact O-N 3.44Å; L88-I91 HydrophobicContact CD2-CD1 4.38Å; L88-I91 WeakPolarHBondContact O-CB 3.31Å; L88-I91 PolarHBondContact O-N 2.65Å; R89-I91 VanDerWaalsContact C-N 3.26Å; R89-I91 PolarHBondContact O-N 3.31Å; I91-C95 WeakPolarHBondContact O-CA 3.49Å; I91-C95 WeakPolarHBondContact O-CB 3.09Å; I91-C95 PolarHBondContact O-N 2.66Å; I91-I97 HydrophobicContact CG2-CB 3.92Å; I91-I97 HydrophobicContact CG2-CG2 4.22Å; I91-V99 HydrophobicContact CB-CG2 4.26Å; I91-V99 HydrophobicContact CG2-CG2 4.19Å |
| 92 | V | 97.9 | Very high | 97.9 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -53.3 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | L88 R89 R90 D96 I97 V99 | L88-V92 PolarHBondContact O-N 3.05Å; R89-V92 WeakPolarHBondContact O-CA 3.42Å; R89-V92 WeakPolarHBondContact O-CB 3.16Å; R89-V92 PolarHBondContact O-N 2.77Å; R90-V92 VanDerWaalsContact C-N 3.31Å; R90-V92 PolarHBondContact O-N 3.22Å; V92-D96 WeakPolarHBondContact O-CA 3.39Å; V92-D96 PolarHBondContact O-N 3.26Å; V92-D96 VanDerWaalsContact O-N 3.14Å; V92-I97 WeakPolarHBondContact CA-O 3.31Å; V92-V99 HydrophobicContact CG2-CB 3.8Å; V92-V99 HydrophobicContact CG2-CG2 3.48Å; V92-V99 VanDerWaalsContact CG2-CG2 3.48Å |
| 93 | D | 97.7 | Very high | 97.8 | Very high | 97 Ų | 97 | 47.8 Ų | 47.8 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.2 | -39 | -171.8 | -66.8 | -31.9 | 0 | 0 | 0 | 113.1 | R89 R90 | R89-D93 WeakPolarHBondContact CG-OD2 3.38Å; R89-D93 IonicContact CZ-OD1 3.05Å; R89-D93 IonicContact CZ-OD2 2.81Å; R89-D93 VanDerWaalsContact NE-CG 3.28Å; R89-D93 IonicContact NE-OD1 3.25Å; R89-D93 PolarHBondContact NE-OD1 2.87Å; R89-D93 IonicContact NE-OD2 2.86Å; R89-D93 PolarHBondContact NE-OD2 3.49Å; R89-D93 IonicContact NH2-OD1 3.66Å; R89-D93 PolarHBondContact NH2-OD1 2.88Å; R89-D93 IonicContact NH2-OD2 3.36Å; R89-D93 PolarHBondContact O-N 3.34Å; R90-D93 PolarHBondContact O-N 3.34Å |
| 94 | E | 96.8 | Very high | 97.5 | Very high | 106 Ų | 106 | 46 Ų | 46 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -97.7 | -26.4 | -172.2 | -58 | -179.2 | -145.1 | 0 | 0 | 113.5 | Y59 R90 | Y59-E94 HydrophobicContact CE2-CB 4.3Å; Y59-E94 VanDerWaalsContact CZ-OE2 3.29Å; Y59-E94 PolarHBondContact OH-OE2 2.75Å; R90-E94 IonicContact CZ-OE1 3.88Å; R90-E94 IonicContact NE-OE1 2.96Å; R90-E94 PolarHBondContact NE-OE1 3.35Å; R90-E94 IonicContact NH2-OE1 3.88Å; R90-E94 PolarHBondContact NH2-OE1 2.77Å; R90-E94 IonicContact NH2-OE2 3.65Å; R90-E94 VanDerWaalsContact O-CB 3.24Å; R90-E94 WeakPolarHBondContact O-CB 3.47Å; R90-E94 WeakPolarHBondContact O-CG 3.12Å; R90-E94 PolarHBondContact O-N 2.94Å |
| 95 | C | 95.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -109.2 | -6.9 | -178.1 | -56.3 | 0 | 0 | 0 | 0 | 113.7 | F62 I91 I97 | F62-C95 HydrophobicContact CE1-CB 3.98Å; I91-C95 WeakPolarHBondContact O-CA 3.49Å; I91-C95 WeakPolarHBondContact O-CB 3.09Å; I91-C95 PolarHBondContact O-N 2.66Å; C95-I97 HydrophobicContact CB-CB 4.5Å; C95-I97 HydrophobicContact CB-CG1 4Å; C95-I97 PolarHBondContact O-N 3.33Å |
| 96 | D | 95.6 | Very high | 96.9 | Very high | 147 Ų | 147 | 52.8 Ų | 52.8 | 79% | 0.786 | 27% | 0.271 | S | S | * | . | trans | 55.6 | 36.1 | -174.8 | -162.7 | 35.4 | 0 | 0 | 0 | 112.5 | V92 | V92-D96 WeakPolarHBondContact O-CA 3.39Å; V92-D96 PolarHBondContact O-N 3.26Å; V92-D96 VanDerWaalsContact O-N 3.14Å | ||
| 97 | I | 97.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | trans | -108.7 | 125.2 | 179.8 | -63.2 | -57.8 | 0 | 0 | 0 | 110 | F62 A69 V72 I91 V92 C95 | F62-I97 HydrophobicContact CZ-CB 4.35Å; F62-I97 HydrophobicContact CZ-CG1 3.98Å; F62-I97 HydrophobicContact CZ-CG2 4.3Å; A69-I97 WeakPolarHBondContact O-CD1 3.3Å; V72-I97 HydrophobicContact CG2-CG2 4.09Å; I91-I97 HydrophobicContact CG2-CB 3.92Å; I91-I97 HydrophobicContact CG2-CG2 4.22Å; V92-I97 WeakPolarHBondContact CA-O 3.31Å; C95-I97 HydrophobicContact CB-CB 4.5Å; C95-I97 HydrophobicContact CB-CG1 4Å; C95-I97 PolarHBondContact O-N 3.33Å | ||
| 98 | P | 98.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 50.3 Ų | 50.3 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | trans | -64.8 | 138.4 | 178.3 | 24.8 | -32.5 | 0 | 0 | 0 | 111.6 | D70 V71 V72 | D70-P98 WeakPolarHBondContact O-CD 3.43Å; D70-P98 WeakPolarHBondContact O-CG 3.28Å; V71-P98 HydrophobicContact CB-CG 4.07Å; V71-P98 HydrophobicContact CG2-CB 4.38Å; V71-P98 HydrophobicContact CG2-CG 4.02Å; V71-P98 WeakPolarHBondContact CG2-O 3.35Å; V72-P98 PolarHBondContact N-O 3.25Å | ||
| 99 | V | 98.7 | Very high | 94.9 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.6 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | V72 L88 I91 V92 | V72-V99 HydrophobicContact CB-CB 4.49Å; V72-V99 HydrophobicContact CB-CG1 4.39Å; V72-V99 HydrophobicContact CB-CG2 4.02Å; V72-V99 HydrophobicContact CG2-CG2 4.26Å; V72-V99 CarbonylContact O-C 3.6Å; V72-V99 WeakPolarHBondContact O-CA 3.35Å; L88-V99 HydrophobicContact CB-CG1 4.21Å; L88-V99 HydrophobicContact CD2-CG1 3.92Å; L88-V99 HydrophobicContact CG-CG1 4.45Å; I91-V99 HydrophobicContact CB-CG2 4.26Å; I91-V99 HydrophobicContact CG2-CG2 4.19Å; V92-V99 HydrophobicContact CG2-CB 3.8Å; V92-V99 HydrophobicContact CG2-CG2 3.48Å; V92-V99 VanDerWaalsContact CG2-CG2 3.48Å |
| 100 | L | 98.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112.6 | -179.6 | -55.5 | 179.4 | 0 | 0 | 0 | 110.2 | T12 Y16 V71 V72 I73 S74 F102 | T12-L100 HydrophobicContact CG2-CD1 3.57Å; Y16-L100 HydrophobicContact CE2-CD1 4.35Å; V71-L100 HydrophobicContact CG2-CD1 4.12Å; V71-L100 HydrophobicContact CG2-CG 4.21Å; V72-L100 PolarHBondContact O-N 3.17Å; I73-L100 WeakPolarHBondContact CA-O 3.47Å; I73-L100 HydrophobicContact CG1-CB 4.46Å; S74-L100 PolarHBondContact N-O 3.4Å; L100-F102 HydrophobicContact CB-CE2 3.99Å |
| 101 | C | 98.4 | Very high | 94 | Very high | 46 Ų | 46 | 54 Ų | 54 | 31% | 0.311 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.7 | -178.1 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | S77 L119 | S77-C101 WeakPolarHBondContact OG-CB 3.47Å; C101-L119 HydrophobicContact CB-CD1 4.09Å; C101-L119 HydrophobicContact CB-CD2 3.92Å |
| 102 | F | 96.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114.9 | 178.3 | -65.9 | -91.9 | 0 | 0 | 0 | 109.2 | K5 Q8 A9 I73 S74 D75 E76 S77 L100 I129 | K5-F102 HydrophobicContact CB-CB 4.38Å; Q8-F102 HydrophobicContact CB-CD1 4.18Å; Q8-F102 HydrophobicContact CB-CE1 3.7Å; A9-F102 HydrophobicContact CB-CB 4.39Å; A9-F102 HydrophobicContact CB-CD1 4.4Å; A9-F102 HydrophobicContact CB-CD2 3.63Å; A9-F102 HydrophobicContact CB-CE2 3.97Å; A9-F102 HydrophobicContact CB-CG 3.88Å; A9-F102 HydrophobicContact CB-CZ 4.49Å; I73-F102 HydrophobicContact CG2-CD2 4.06Å; I73-F102 HydrophobicContact CG2-CE2 3.89Å; S74-F102 PolarHBondContact O-N 3.32Å; D75-F102 CarbonylContact C-O 3.27Å; E76-F102 VanDerWaalsContact CA-O 3.32Å; E76-F102 WeakPolarHBondContact CA-O 3.05Å; E76-F102 PolarHBondContact N-O 2.67Å; S77-F102 PolarHBondContact N-O 3.03Å; S77-F102 PolarHBondContact OG-N 2.79Å; S77-F102 PolarHBondContact OG-O 2.77Å; L100-F102 HydrophobicContact CB-CE2 3.99Å; F102-I129 HydrophobicContact CD1-CD1 3.9Å; F102-I129 HydrophobicContact CE1-CD1 4.34Å |
| 103 | G | 94.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | trans | -160.1 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K5 | K5-G103 WeakPolarHBondContact CD-O 3.49Š| ||
| 104 | L | 93.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | trans | -89.1 | 135.1 | 174.6 | -63.8 | 176.9 | 0 | 0 | 0 | 110.5 | M1 K5 Q78 F113 S116 | M1-L104 HydrophobicContact CE-CD1 4.37Å; M1-L104 HydrophobicContact SD-CD1 3.52Å; M1-L104 VanDerWaalsContact SD-CD1 3.52Å; K5-L104 HydrophobicContact CD-CD2 3.92Å; K5-L104 HydrophobicContact CD-CG 4.38Å; Q78-L104 WeakPolarHBondContact CB-O 3.43Å; Q78-L104 HydrophobicContact CG-CB 4.24Å; L104-F113 HydrophobicContact CB-CD2 4.38Å; L104-F113 HydrophobicContact CB-CE2 3.83Å; L104-S116 WeakPolarHBondContact O-CB 3.41Å; L104-S116 PolarHBondContact O-OG 3.48Å | ||
| 105 | R | 93 | Very high | 93.4 | Very high | 141 Ų | 141 | 50.1 Ų | 50.1 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -67 | -49.1 | 174.9 | -169.9 | 174.5 | 54.9 | 80.8 | 4.6 | 112 | V112 L120 | R105-V112 HydrophobicContact CG-CG2 4.45Å; R105-V112 WeakPolarHBondContact O-CA 3.46Å; R105-L120 HydrophobicContact CG-CD1 4.04Å |
| 106 | T | 91 | Very high | 93.5 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -136.4 | 158.6 | -174.4 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | H111 V112 F113 | T106-H111 CarbonylContact C-O 3.23Å; T106-H111 WeakPolarHBondContact CA-O 3.3Å; T106-H111 WeakPolarHBondContact CB-O 3.41Å; T106-V112 HydrophobicContact CG2-CG2 3.75Å; T106-F113 WeakPolarHBondContact O-CE2 3.44Å |
| 107 | D | 87.6 | Confident | 93.6 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | trans | -73.9 | -168.3 | 168.1 | 78.9 | -11.2 | 0 | 0 | 0 | 111.9 | L109 T110 H111 F113 Q157 | D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 VanDerWaalsContact OD1-C 3.24Å; D107-L109 WeakPolarHBondContact OD1-CA 3.3Å; D107-L109 PolarHBondContact OD1-N 3.37Å; D107-T110 PolarHBondContact O-N 3.3Å; D107-T110 PolarHBondContact OD1-N 2.77Å; D107-H111 PolarHBondContact N-O 3.1Å; D107-H111 PolarHBondContact OD1-N 2.88Å; D107-F113 HydrophobicContact CB-CE1 4.21Å; D107-F113 HydrophobicContact CB-CE2 4.21Å; D107-F113 HydrophobicContact CB-CZ 3.74Å; D107-Q157 VanDerWaalsContact CB-NE2 3.33Å; D107-Q157 VanDerWaalsContact CG-NE2 3.29Å; D107-Q157 PolarHBondContact OD2-NE2 3.36Å | ||
| 108 | F | 83.2 | Confident | 93.7 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.3 | 178.5 | 72.1 | -80.1 | 0 | 0 | 0 | 114.4 | T110 N142 R144 Q157 | F108-T110 VanDerWaalsContact C-N 3.26Å; F108-N142 WeakPolarHBondContact CA-O 3.4Å; F108-N142 WeakPolarHBondContact CB-O 3.12Å; F108-R144 HydrophobicContact CB-CB 4.19Å; F108-R144 HydrophobicContact CD2-CB 3.6Å; F108-R144 HydrophobicContact CE2-CB 4.16Å; F108-R144 HydrophobicContact CG-CB 3.87Å; F108-Q157 HydrophobicContact CE1-CG 4.01Å |
| 109 | L | 83.5 | Confident | 93.7 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6 | 171.3 | -60.1 | 178.6 | 0 | 0 | 0 | 111.7 | D107 H111 T153 | D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 VanDerWaalsContact OD1-C 3.24Å; D107-L109 WeakPolarHBondContact OD1-CA 3.3Å; D107-L109 PolarHBondContact OD1-N 3.37Å; L109-H111 PolarHBondContact O-CD2 2.7Å; L109-H111 PolarHBondContact O-N 3.09Å; L109-T153 VanDerWaalsContact CD2-O 3.31Å; L109-T153 WeakPolarHBondContact CD2-O 3.39Å |
| 110 | T | 88.4 | Confident | 93.7 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 65.4 | 17.9 | -176.8 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | D107 F108 V141 | D107-T110 PolarHBondContact O-N 3.3Å; D107-T110 PolarHBondContact OD1-N 2.77Å; F108-T110 VanDerWaalsContact C-N 3.26Å; T110-V141 HydrophobicContact CG2-CB 4.44Å; T110-V141 HydrophobicContact CG2-CG1 3.76Å |
| 111 | H | 90.1 | Very high | 93.6 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 131.9 | 170.9 | -63.1 | 173.7 | 0 | 0 | 0 | 109.7 | T106 D107 L109 | T106-H111 CarbonylContact C-O 3.23Å; T106-H111 WeakPolarHBondContact CA-O 3.3Å; T106-H111 WeakPolarHBondContact CB-O 3.41Å; D107-H111 PolarHBondContact N-O 3.1Å; D107-H111 PolarHBondContact OD1-N 2.88Å; L109-H111 PolarHBondContact O-CD2 2.7Å; L109-H111 PolarHBondContact O-N 3.09Å |
| 112 | V | 93 | Very high | 93.6 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 137.6 | 174.5 | 155.4 | 0 | 0 | 0 | 0 | 109.6 | R105 T106 R117 L120 | R105-V112 HydrophobicContact CG-CG2 4.45Å; R105-V112 WeakPolarHBondContact O-CA 3.46Å; T106-V112 HydrophobicContact CG2-CG2 3.75Å; V112-R117 HydrophobicContact CG1-CB 3.49Å; V112-R117 VanDerWaalsContact CG1-CB 3.49Å; V112-R117 HydrophobicContact CG1-CG 4.38Å; V112-L120 HydrophobicContact CG2-CD1 4.38Å |
| 113 | F | 94.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 146.9 | 171.1 | -64.1 | -85.9 | 0 | 0 | 0 | 110.7 | Q78 F79 L104 T106 D107 G115 S116 R117 | Q78-F113 HydrophobicContact CB-CB 3.85Å; Q78-F113 HydrophobicContact CB-CD2 3.75Å; Q78-F113 HydrophobicContact CB-CE2 4.42Å; Q78-F113 HydrophobicContact CB-CG 3.8Å; Q78-F113 HydrophobicContact CG-CB 4.45Å; Q78-F113 HydrophobicContact CG-CD1 4.22Å; Q78-F113 HydrophobicContact CG-CD2 3.82Å; Q78-F113 HydrophobicContact CG-CE1 4.43Å; Q78-F113 HydrophobicContact CG-CE2 4.03Å; Q78-F113 HydrophobicContact CG-CG 3.92Å; Q78-F113 HydrophobicContact CG-CZ 4.34Å; Q78-F113 WeakPolarHBondContact O-CB 3.39Å; F79-F113 HydrophobicContact CE1-CD1 4.38Å; F79-F113 AromaticContact CE1-CE1 3.96Å; F79-F113 HydrophobicContact CE1-CE1 3.96Å; L104-F113 HydrophobicContact CB-CD2 4.38Å; L104-F113 HydrophobicContact CB-CE2 3.83Å; T106-F113 WeakPolarHBondContact O-CE2 3.44Å; D107-F113 HydrophobicContact CB-CE1 4.21Å; D107-F113 HydrophobicContact CB-CE2 4.21Å; D107-F113 HydrophobicContact CB-CZ 3.74Å; F113-G115 PolarHBondContact O-N 3.16Å; F113-S116 CarbonylContact O-C 3.14Å; F113-S116 PolarHBondContact O-N 2.8Å; F113-S116 VanDerWaalsContact O-N 3.09Å; F113-R117 PolarHBondContact O-N 3.3Å |
| 114 | P | 93.7 | Very high | 93.8 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.3 | -49.8 | 177.6 | -27.5 | 35.4 | 0 | 0 | 0 | 113.7 | E82 S116 R117 R118 | E82-P114 HydrophobicContact CG-CB 4.33Å; P114-S116 VanDerWaalsContact C-N 3.32Å; P114-S116 PolarHBondContact O-N 2.83Å; P114-R117 WeakPolarHBondContact O-CB 3.36Å; P114-R117 PolarHBondContact O-N 3.14Å; P114-R117 VanDerWaalsContact O-N 3.16Å; P114-R118 PolarHBondContact O-N 3.15Å; P114-R118 VanDerWaalsContact O-N 3.1Å |
| 115 | G | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F80 F113 R118 L119 | F80-G115 WeakPolarHBondContact O-CA 3.4Å; F80-G115 PolarHBondContact O-N 2.97Å; F113-G115 PolarHBondContact O-N 3.16Å; G115-R118 PolarHBondContact O-N 2.93Å; G115-L119 WeakPolarHBondContact O-CG 3.49Å; G115-L119 PolarHBondContact O-N 2.86Å |
| 116 | S | 97.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -35.4 | 175.7 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | Q78 L104 F113 P114 R118 L119 L120 | Q78-S116 WeakPolarHBondContact CA-OG 3.37Å; Q78-S116 WeakPolarHBondContact CB-OG 3.3Å; L104-S116 WeakPolarHBondContact O-CB 3.41Å; L104-S116 PolarHBondContact O-OG 3.48Å; F113-S116 CarbonylContact O-C 3.14Å; F113-S116 PolarHBondContact O-N 2.8Å; F113-S116 VanDerWaalsContact O-N 3.09Å; P114-S116 VanDerWaalsContact C-N 3.32Å; P114-S116 PolarHBondContact O-N 2.83Å; S116-R118 VanDerWaalsContact C-N 3.33Å; S116-L119 PolarHBondContact O-N 3.1Å; S116-L120 WeakPolarHBondContact O-CB 3.38Å; S116-L120 WeakPolarHBondContact O-CG 3.01Å; S116-L120 PolarHBondContact O-N 3.17Å |
| 117 | R | 98.2 | Very high | 94.3 | Very high | 126 Ų | 126 | 66.2 Ų | 66.2 | 48% | 0.475 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.1 | -52.8 | 173.5 | -179.1 | 169.5 | 60.4 | -175.9 | 5.8 | 109.1 | E82 V112 F113 P114 L119 L120 E121 | E82-R117 IonicContact OE1-CZ 3.19Å; E82-R117 IonicContact OE1-NE 3.89Å; E82-R117 PolarHBondContact OE1-NE 3.33Å; E82-R117 IonicContact OE1-NH2 2.67Å; E82-R117 PolarHBondContact OE1-NH2 2.91Å; E82-R117 IonicContact OE2-NH2 2.77Å; V112-R117 HydrophobicContact CG1-CB 3.49Å; V112-R117 VanDerWaalsContact CG1-CB 3.49Å; V112-R117 HydrophobicContact CG1-CG 4.38Å; F113-R117 PolarHBondContact O-N 3.3Å; P114-R117 WeakPolarHBondContact O-CB 3.36Å; P114-R117 PolarHBondContact O-N 3.14Å; P114-R117 VanDerWaalsContact O-N 3.16Å; R117-L119 VanDerWaalsContact C-N 3.34Å; R117-L119 PolarHBondContact O-N 2.9Å; R117-L120 WeakPolarHBondContact O-CB 3.32Å; R117-L120 PolarHBondContact O-N 3.36Å; R117-L120 VanDerWaalsContact O-N 3.13Å; R117-E121 WeakPolarHBondContact CG-OE1 2.99Å; R117-E121 WeakPolarHBondContact O-CG 3.18Å; R117-E121 PolarHBondContact O-N 2.68Å |
| 118 | R | 98.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 71 Ų | 71 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -178.3 | -169.7 | 65.2 | -171.1 | 142.2 | 0.7 | 111.9 | E82 I85 D86 P114 G115 S116 L120 E121 I122 | E82-R118 HydrophobicContact CB-CB 4.07Å; E82-R118 HydrophobicContact CB-CG 4.12Å; E82-R118 HydrophobicContact CG-CB 4.01Å; I85-R118 HydrophobicContact CB-CB 4.01Å; I85-R118 HydrophobicContact CB-CG 3.71Å; I85-R118 HydrophobicContact CG1-CB 4.24Å; I85-R118 HydrophobicContact CG1-CG 4.47Å; I85-R118 HydrophobicContact CG2-CB 3.95Å; I85-R118 HydrophobicContact CG2-CG 3.56Å; D86-R118 IonicContact OD1-CZ 3.69Å; D86-R118 IonicContact OD1-NE 2.79Å; D86-R118 PolarHBondContact OD1-NE 3.03Å; D86-R118 IonicContact OD1-NH2 3.97Å; D86-R118 PolarHBondContact OD1-NH2 2.67Å; D86-R118 IonicContact OD2-NE 2.63Å; D86-R118 IonicContact OD2-NH2 2.67Å; P114-R118 PolarHBondContact O-N 3.15Å; P114-R118 VanDerWaalsContact O-N 3.1Å; G115-R118 PolarHBondContact O-N 2.93Å; S116-R118 VanDerWaalsContact C-N 3.33Å; R118-L120 VanDerWaalsContact C-N 3.34Å; R118-L120 PolarHBondContact O-N 2.89Å; R118-E121 WeakPolarHBondContact CD-OE2 3.44Å; R118-E121 IonicContact CZ-OE2 3.03Å; R118-E121 IonicContact NH1-OE2 3.41Å; R118-E121 PolarHBondContact NH1-OE2 3.08Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.01Å; R118-E121 VanDerWaalsContact O-N 3.15Å; R118-I122 HydrophobicContact CG-CD1 4.46Å; R118-I122 VanDerWaalsContact NH1-CG2 3.3Å; R118-I122 WeakPolarHBondContact O-CG1 3.42Å; R118-I122 PolarHBondContact O-N 2.75Å |
| 119 | L | 98.5 | Very high | 94.8 | Very high | 32 Ų | 32 | 71.7 Ų | 71.7 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 173.7 | -76.4 | 167.6 | 0 | 0 | 0 | 112.3 | I85 C101 G115 S116 R117 E121 I122 A123 | I85-L119 HydrophobicContact CD1-CD1 3.95Å; I85-L119 HydrophobicContact CD1-CD2 3.94Å; I85-L119 HydrophobicContact CD1-CG 3.72Å; I85-L119 HydrophobicContact CG1-CG 4.1Å; I85-L119 HydrophobicContact CG2-CD2 3.76Å; I85-L119 HydrophobicContact CG2-CG 3.88Å; C101-L119 HydrophobicContact CB-CD1 4.09Å; C101-L119 HydrophobicContact CB-CD2 3.92Å; G115-L119 WeakPolarHBondContact O-CG 3.49Å; G115-L119 PolarHBondContact O-N 2.86Å; S116-L119 PolarHBondContact O-N 3.1Å; R117-L119 VanDerWaalsContact C-N 3.34Å; R117-L119 PolarHBondContact O-N 2.9Å; L119-E121 PolarHBondContact O-N 3.07Å; L119-I122 PolarHBondContact O-N 2.79Å; L119-A123 WeakPolarHBondContact O-CB 3.36Å; L119-A123 PolarHBondContact O-N 3.02Å |
| 120 | L | 98 | Very high | 94.9 | Very high | 73 Ų | 73 | 77.7 Ų | 77.7 | 38% | 0.382 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65 | -28.9 | 178 | -70.2 | 170.1 | 0 | 0 | 0 | 112.9 | R105 V112 S116 R117 R118 I126 | R105-L120 HydrophobicContact CG-CD1 4.04Å; V112-L120 HydrophobicContact CG2-CD1 4.38Å; S116-L120 WeakPolarHBondContact O-CB 3.38Å; S116-L120 WeakPolarHBondContact O-CG 3.01Å; S116-L120 PolarHBondContact O-N 3.17Å; R117-L120 WeakPolarHBondContact O-CB 3.32Å; R117-L120 PolarHBondContact O-N 3.36Å; R117-L120 VanDerWaalsContact O-N 3.13Å; R118-L120 VanDerWaalsContact C-N 3.34Å; R118-L120 PolarHBondContact O-N 2.89Å; L120-I126 HydrophobicContact CD2-CD1 3.86Å; L120-I126 HydrophobicContact CD2-CG2 4.42Å |
| 121 | E | 98.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 75.5 Ų | 75.5 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -74.7 | -34.1 | 178.6 | -71.4 | 168.8 | -178.5 | 0 | 0 | 112.8 | R117 R118 L119 | R117-E121 WeakPolarHBondContact CG-OE1 2.99Å; R117-E121 WeakPolarHBondContact O-CG 3.18Å; R117-E121 PolarHBondContact O-N 2.68Å; R118-E121 WeakPolarHBondContact CD-OE2 3.44Å; R118-E121 IonicContact CZ-OE2 3.03Å; R118-E121 IonicContact NH1-OE2 3.41Å; R118-E121 PolarHBondContact NH1-OE2 3.08Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.01Å; R118-E121 VanDerWaalsContact O-N 3.15Å; L119-E121 PolarHBondContact O-N 3.07Å |
| 122 | I | 98.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 76.3 Ų | 76.3 | 16% | 0.159 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -119.9 | -12.2 | -167.5 | 75.5 | 179.2 | 0 | 0 | 0 | 115.6 | I85 R89 R118 L119 D124 | I85-I122 HydrophobicContact CG2-CD1 3.63Å; I85-I122 HydrophobicContact CG2-CG1 4.29Å; R89-I122 HydrophobicContact CB-CD1 3.74Å; R89-I122 HydrophobicContact CG-CD1 4.14Å; R89-I122 PolarHBondContact NH1-O 3.1Å; R89-I122 VanDerWaalsContact NH1-O 3.13Å; R118-I122 HydrophobicContact CG-CD1 4.46Å; R118-I122 VanDerWaalsContact NH1-CG2 3.3Å; R118-I122 WeakPolarHBondContact O-CG1 3.42Å; R118-I122 PolarHBondContact O-N 2.75Å; L119-I122 PolarHBondContact O-N 2.79Å; I122-D124 PolarHBondContact O-N 2.96Å |
| 123 | A | 97.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 76 Ų | 76 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | trans | -67.1 | 128.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L119 S125 I126 | L119-A123 WeakPolarHBondContact O-CB 3.36Å; L119-A123 PolarHBondContact O-N 3.02Å; A123-S125 PolarHBondContact O-N 3.5Å; A123-I126 HydrophobicContact CB-CD1 4.38Å; A123-I126 HydrophobicContact CB-CG1 3.87Å | ||
| 124 | D | 97.3 | Very high | 93.3 | Very high | 131 Ų | 131 | 87.4 Ų | 87.4 | 70% | 0.701 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -68.4 | -25.8 | 178.3 | -50 | -73.1 | 0 | 0 | 0 | 112 | R89 I122 | R89-D124 IonicContact NH1-OD1 3.57Å; R89-D124 PolarHBondContact NH1-OD1 3.4Å; R89-D124 IonicContact NH1-OD2 3.9Å; I122-D124 PolarHBondContact O-N 2.96Å |
| 125 | S | 96.9 | Very high | 92.9 | Very high | 101 Ų | 101 | 88 Ų | 88 | 71% | 0.706 | 45% | 0.447 | S | S | * | . | trans | -144.2 | 142.1 | 173.5 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | A123 | A123-S125 PolarHBondContact O-N 3.5Š| ||
| 126 | I | 96.5 | Very high | 92.3 | Very high | 109 Ų | 109 | 90.8 Ų | 90.8 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | trans | -131.7 | 121 | 179.8 | -59.9 | 161.8 | 0 | 0 | 0 | 108.3 | L120 A123 | L120-I126 HydrophobicContact CD2-CD1 3.86Å; L120-I126 HydrophobicContact CD2-CG2 4.42Å; A123-I126 HydrophobicContact CB-CD1 4.38Å; A123-I126 HydrophobicContact CB-CG1 3.87Å | ||
| 127 | T | 93.9 | Very high | 91.9 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 77% | 0.767 | 51% | 0.509 | S | S | * | . | trans | -120 | 130 | 178.1 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 128 | E | 91.3 | Very high | 91.5 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | trans | -79.4 | 125.9 | 175.1 | -175.1 | -173.9 | -173.1 | 0 | 0 | 111.7 | K130 K138 | E128-K130 PolarHBondContact O-N 3.33Å; E128-K138 VanDerWaalsContact CD-CE 3.49Å; E128-K138 WeakPolarHBondContact OE1-CE 3.23Å; E128-K138 IonicContact OE1-NZ 3.92Å; E128-K138 PolarHBondContact OE1-NZ 2.85Å; E128-K138 WeakPolarHBondContact OE2-CE 3.3Å; E128-K138 IonicContact OE2-NZ 3.12Å; E128-K138 PolarHBondContact OE2-NZ 2.85Å | ||
| 129 | I | 89.6 | Confident | 90.9 | Very high | 40 Ų | 40 | 97.6 Ų | 97.6 | 21% | 0.205 | 51% | 0.51 | C | S | . | . | trans | -82.6 | 97.4 | 171.1 | -55 | 178 | 0 | 0 | 0 | 109.1 | K5 Q8 F102 T131 | K5-I129 HydrophobicContact CB-CD1 4.47Å; K5-I129 HydrophobicContact CG-CD1 4.27Å; Q8-I129 HydrophobicContact CB-CD1 4.44Å; Q8-I129 VanDerWaalsContact OE1-CG1 3.23Å; F102-I129 HydrophobicContact CD1-CD1 3.9Å; F102-I129 HydrophobicContact CE1-CD1 4.34Å; I129-T131 PolarHBondContact O-N 2.83Å; I129-T131 PolarHBondContact O-OG1 3.3Å | ||
| 130 | K | 86.1 | Confident | 90.3 | Very high | 172 Ų | 172 | 100.8 Ų | 100.8 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | trans | -57.6 | 123.2 | -179.2 | -64.8 | 177.7 | -174.9 | 173.2 | 0 | 110.6 | E128 | E128-K130 PolarHBondContact O-N 3.33Š| ||
| 131 | T | 84.7 | Confident | 89.6 | Confident | 38 Ų | 38 | 100.8 Ų | 100.8 | 23% | 0.233 | 53% | 0.533 | C | S | . | . | trans | -125.7 | 149.8 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | I129 A139 | I129-T131 PolarHBondContact O-N 2.83Å; I129-T131 PolarHBondContact O-OG1 3.3Å; T131-A139 HydrophobicContact CG2-CB 4.31Å; T131-A139 WeakPolarHBondContact O-CB 3.27Å; T131-A139 PolarHBondContact O-N 2.8Å | ||
| 132 | I | 85.3 | Confident | 88.9 | Confident | 136 Ų | 136 | 96.9 Ų | 96.9 | 70% | 0.697 | 52% | 0.516 | S | S | * | . | B | Isolated β-bridge | trans | -95.8 | 138.7 | 176.2 | 59.6 | 173.1 | 0 | 0 | 0 | 110.9 | ||
| 133 | C | 83.8 | Confident | 88 | Confident | 55 Ų | 55 | 98 Ų | 98 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | trans | -76.4 | 161.6 | 170.4 | -174 | 0 | 0 | 0 | 0 | 109.6 | C135 G136 R137 A139 | C133-C135 PolarHBondContact O-N 3.03Å; C133-C135 VanDerWaalsContact O-N 3.1Å; C133-G136 PolarHBondContact O-N 3.06Å; C133-R137 VanDerWaalsContact CB-O 3.3Å; C133-R137 WeakPolarHBondContact CB-O 3.24Å; C133-R137 PolarHBondContact N-O 2.72Å; C133-A139 HydrophobicContact CB-CB 4.29Å | ||
| 134 | R | 79.8 | Confident | 87.1 | Confident | 260 Ų | 260 | 100.1 Ų | 100.1 | 98% | 0.981 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26 | 174.5 | -166 | 178.2 | -178.4 | -154.9 | 0.4 | 113 | G136 | R134-G136 PolarHBondContact O-N 3.22Š|
| 135 | C | 84 | Confident | 86.2 | Confident | 90 Ų | 90 | 98.8 Ų | 98.8 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 3.6 | 174.8 | 68.3 | 0 | 0 | 0 | 0 | 114.4 | C133 R137 | C133-C135 PolarHBondContact O-N 3.03Å; C133-C135 VanDerWaalsContact O-N 3.1Å; C135-R137 PolarHBondContact O-N 3.13Å |
| 136 | G | 85 | Confident | 85.1 | Confident | 58 Ų | 58 | 94.9 Ų | 94.9 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 81.8 | -11.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C133 R134 | C133-G136 PolarHBondContact O-N 3.06Å; R134-G136 PolarHBondContact O-N 3.22Å |
| 137 | R | 88.8 | Confident | 83.9 | Confident | 197 Ų | 197 | 99 Ų | 99 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -79.7 | 165.3 | 174.3 | -59.6 | -177.1 | -177.8 | -172.5 | 0 | 111.3 | C133 C135 A139 | C133-R137 VanDerWaalsContact CB-O 3.3Å; C133-R137 WeakPolarHBondContact CB-O 3.24Å; C133-R137 PolarHBondContact N-O 2.72Å; C135-R137 PolarHBondContact O-N 3.13Å; R137-A139 PolarHBondContact O-N 2.78Å |
| 138 | K | 88.4 | Confident | 82.8 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -52.5 | 128.3 | 172.1 | -176.9 | -176.6 | 177.9 | -173.7 | 0 | 110.5 | E128 | E128-K138 VanDerWaalsContact CD-CE 3.49Å; E128-K138 WeakPolarHBondContact OE1-CE 3.23Å; E128-K138 IonicContact OE1-NZ 3.92Å; E128-K138 PolarHBondContact OE1-NZ 2.85Å; E128-K138 WeakPolarHBondContact OE2-CE 3.3Å; E128-K138 IonicContact OE2-NZ 3.12Å; E128-K138 PolarHBondContact OE2-NZ 2.85Å |
| 139 | A | 86.8 | Confident | 81.9 | Confident | 28 Ų | 28 | 97.1 Ų | 97.1 | 23% | 0.231 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -74 | 124 | 170 | 0 | 0 | 0 | 0 | 0 | 109.3 | T131 C133 R137 | T131-A139 HydrophobicContact CG2-CB 4.31Å; T131-A139 WeakPolarHBondContact O-CB 3.27Å; T131-A139 PolarHBondContact O-N 2.8Å; C133-A139 HydrophobicContact CB-CB 4.29Å; R137-A139 PolarHBondContact O-N 2.78Å |
| 140 | T | 85.1 | Confident | 81.3 | Confident | 99 Ų | 99 | 99.8 Ų | 99.8 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | trans | -111.5 | -26.8 | -177.9 | 51.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 141 | V | 85 | Confident | 80.8 | Confident | 73 Ų | 73 | 95.7 Ų | 95.7 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -142.7 | 154.3 | -178.3 | -63 | 0 | 0 | 0 | 0 | 109.9 | T110 | T110-V141 HydrophobicContact CG2-CB 4.44Å; T110-V141 HydrophobicContact CG2-CG1 3.76Å |
| 142 | N | 81.9 | Confident | 80.3 | Confident | 34 Ų | 34 | 95.7 Ų | 95.7 | 18% | 0.182 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 123.4 | 170.7 | -69 | -62.8 | 0 | 0 | 0 | 109.3 | M1 F108 | M1-N142 HydrophobicContact CE-CB 3.59Å; M1-N142 HydrophobicContact CG-CB 4.25Å; M1-N142 WeakPolarHBondContact CG-OD1 3.15Å; M1-N142 HydrophobicContact SD-CB 3.83Å; M1-N142 PolarHBondContact SD-OD1 3.02Å; F108-N142 WeakPolarHBondContact CA-O 3.4Å; F108-N142 WeakPolarHBondContact CB-O 3.12Å |
| 143 | A | 79.2 | Confident | 79.8 | Confident | 55 Ų | 55 | 94.6 Ų | 94.6 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 132.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I145 V151 | A143-I145 HydrophobicContact CB-CD1 3.92Å; A143-V151 HydrophobicContact CB-CG1 4.13Å; A143-V151 HydrophobicContact CB-CG2 4.29Å |
| 144 | R | 79.8 | Confident | 79.1 | Confident | 82 Ų | 82 | 95.9 Ų | 95.9 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126 | 161.3 | -178.8 | 178.8 | -73.5 | -170.4 | -7.6 | 107.7 | F108 V151 V152 S156 Q157 | F108-R144 HydrophobicContact CB-CB 4.19Å; F108-R144 HydrophobicContact CD2-CB 3.6Å; F108-R144 HydrophobicContact CE2-CB 4.16Å; F108-R144 HydrophobicContact CG-CB 3.87Å; R144-V151 WeakPolarHBondContact O-CA 3.3Å; R144-V152 HydrophobicContact CB-CB 4.27Å; R144-V152 HydrophobicContact CG-CB 4.08Å; R144-V152 PolarHBondContact O-N 2.65Å; R144-S156 PolarHBondContact NH1-O 2.84Å; R144-S156 PolarHBondContact NH2-O 3.25Å; R144-S156 VanDerWaalsContact NH2-O 3.09Å; R144-Q157 PolarHBondContact NH2-O 2.94Å |
| 145 | I | 79.2 | Confident | 78.2 | Confident | 102 Ų | 102 | 85.8 Ų | 85.8 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.7 | -179.8 | -53.1 | -57.5 | 0 | 0 | 0 | 108 | A143 Q150 V151 | A143-I145 HydrophobicContact CB-CD1 3.92Å; I145-Q150 WeakPolarHBondContact CA-O 3.45Å; I145-V151 HydrophobicContact CD1-CG2 4.02Å |
| 146 | G | 72.9 | Confident | 77 | Confident | 20 Ų | 20 | 84.7 Ų | 84.7 | 21% | 0.206 | 50% | 0.496 | C | S | . | . | trans | -77.3 | 177.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N148 G149 Q150 | G146-N148 VanDerWaalsContact C-N 3.29Å; G146-N148 PolarHBondContact O-N 3.15Å; G146-G149 PolarHBondContact O-N 3.05Å; G146-Q150 PolarHBondContact N-O 3.34Å | ||
| 147 | E | 72 | Confident | 75.7 | Confident | 196 Ų | 196 | 87 Ų | 87 | 92% | 0.916 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -36.6 | -173.2 | -66.5 | 179.1 | 169.1 | 0 | 0 | 113.8 | G149 | E147-G149 VanDerWaalsContact C-N 3.31Å; E147-G149 PolarHBondContact O-N 3.11Å |
| 148 | N | 70.3 | Confident | 74.3 | Confident | 142 Ų | 142 | 83.9 Ų | 83.9 | 76% | 0.759 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 17.8 | 179.6 | -43 | -37.8 | 0 | 0 | 0 | 113 | G146 Q150 | G146-N148 VanDerWaalsContact C-N 3.29Å; G146-N148 PolarHBondContact O-N 3.15Å; N148-Q150 VanDerWaalsContact C-N 3.28Å; N148-Q150 VanDerWaalsContact CA-OE1 3.25Å; N148-Q150 PolarHBondContact O-N 3.36Å |
| 149 | G | 71.4 | Confident | 72.8 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 80.7 | -0.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | G146 E147 | G146-G149 PolarHBondContact O-N 3.05Å; E147-G149 VanDerWaalsContact C-N 3.31Å; E147-G149 PolarHBondContact O-N 3.11Å |
| 150 | Q | 77.3 | Confident | 71.7 | Confident | 96 Ų | 96 | 86.7 Ų | 86.7 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 148.1 | 175.4 | 72.4 | -84 | 18.6 | 0 | 0 | 112.1 | I145 G146 N148 V152 | I145-Q150 WeakPolarHBondContact CA-O 3.45Å; G146-Q150 PolarHBondContact N-O 3.34Å; N148-Q150 VanDerWaalsContact C-N 3.28Å; N148-Q150 VanDerWaalsContact CA-OE1 3.25Å; N148-Q150 PolarHBondContact O-N 3.36Å; Q150-V152 PolarHBondContact O-N 2.88Å |
| 151 | V | 76.5 | Confident | 70.7 | Confident | 86 Ų | 86 | 83.2 Ų | 83.2 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.8 | 172.6 | 180 | 0 | 0 | 0 | 0 | 108.9 | A143 R144 I145 T153 | A143-V151 HydrophobicContact CB-CG1 4.13Å; A143-V151 HydrophobicContact CB-CG2 4.29Å; R144-V151 WeakPolarHBondContact O-CA 3.3Å; I145-V151 HydrophobicContact CD1-CG2 4.02Å; V151-T153 HydrophobicContact CG1-CG2 4.27Å |
| 152 | V | 74.7 | Confident | 70.3 | Confident | 38 Ų | 38 | 80.1 Ų | 80.1 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.9 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | R144 Q150 S154 | R144-V152 HydrophobicContact CB-CB 4.27Å; R144-V152 HydrophobicContact CG-CB 4.08Å; R144-V152 PolarHBondContact O-N 2.65Å; Q150-V152 PolarHBondContact O-N 2.88Å; V152-S154 WeakPolarHBondContact CG1-O 3.26Å |
| 153 | T | 74.1 | Confident | 70.4 | Confident | 113 Ų | 113 | 80.8 Ų | 80.8 | 69% | 0.693 | 46% | 0.464 | S | S | * | . | trans | -110.5 | 13.9 | -178.9 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | L109 V151 | L109-T153 VanDerWaalsContact CD2-O 3.31Å; L109-T153 WeakPolarHBondContact CD2-O 3.39Å; V151-T153 HydrophobicContact CG1-CG2 4.27Å | ||
| 154 | S | 68.3 | Low | 70.7 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 57% | 0.573 | 45% | 0.447 | S | S | * | . | trans | -143.3 | 165.7 | 178.1 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | V152 | V152-S154 WeakPolarHBondContact CG1-O 3.26Š| ||
| 155 | G | 61 | Low | 71 | Confident | 47 Ų | 47 | 78 Ų | 78 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 101.5 | 165.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 156 | S | 58.8 | Low | 71.1 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | trans | -66.5 | 143 | -174 | -30.5 | 0 | 0 | 0 | 0 | 112.1 | R144 | R144-S156 PolarHBondContact NH1-O 2.84Å; R144-S156 PolarHBondContact NH2-O 3.25Å; R144-S156 VanDerWaalsContact NH2-O 3.09Å | ||
| 157 | Q | 58.1 | Low | 71.3 | Confident | 107 Ų | 107 | 79 Ų | 79 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -61.8 | -48.3 | 172.9 | -76.2 | -178.9 | -14.4 | 0 | 0 | 111.1 | D107 F108 R144 | D107-Q157 VanDerWaalsContact CB-NE2 3.33Å; D107-Q157 VanDerWaalsContact CG-NE2 3.29Å; D107-Q157 PolarHBondContact OD2-NE2 3.36Å; F108-Q157 HydrophobicContact CE1-CG 4.01Å; R144-Q157 PolarHBondContact NH2-O 2.94Å |
| 158 | R | 59 | Low | 71.6 | Confident | 130 Ų | 130 | 75.1 Ų | 75.1 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | trans | -147 | 141.9 | 172.5 | -166.7 | 177.9 | -176.7 | 172.7 | 0.1 | 105.2 | ||||
| 159 | I | 58.6 | Low | 72 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | trans | -86 | 114.4 | 166.4 | -59.1 | 175.2 | 0 | 0 | 0 | 104.3 | G161 G162 P187 | I159-G161 PolarHBondContact O-N 3.16Å; I159-G162 VanDerWaalsContact O-CA 3.31Å; I159-G162 WeakPolarHBondContact O-CA 3.26Å; I159-G162 PolarHBondContact O-N 3.36Å; I159-P187 HydrophobicContact CD1-CB 4.23Å; I159-P187 HydrophobicContact CD1-CG 4.01Å | ||
| 160 | D | 63.4 | Low | 72.1 | Confident | 139 Ų | 139 | 69.1 Ų | 69.1 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 133.1 | 173.1 | -74.9 | -23.4 | 0 | 0 | 0 | 109.1 | G162 | D160-G162 PolarHBondContact O-N 3.09Š|
| 161 | G | 63.2 | Low | 72 | Confident | 25 Ų | 25 | 68 Ų | 68 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 9.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I159 I163 T185 | I159-G161 PolarHBondContact O-N 3.16Å; G161-I163 PolarHBondContact O-N 2.96Å; G161-T185 WeakPolarHBondContact O-CB 3.28Å; G161-T185 PolarHBondContact O-OG1 3.01Å |
| 162 | G | 75.7 | Confident | 71.9 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 8% | 0.082 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -59.3 | -49.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I159 D160 V184 T185 | I159-G162 VanDerWaalsContact O-CA 3.31Å; I159-G162 WeakPolarHBondContact O-CA 3.26Å; I159-G162 PolarHBondContact O-N 3.36Å; D160-G162 PolarHBondContact O-N 3.09Å; G162-V184 CarbonylContact O-C 3.53Å; G162-V184 WeakPolarHBondContact O-CA 3.34Å; G162-V184 WeakPolarHBondContact O-CG1 3.43Å; G162-T185 PolarHBondContact O-N 2.84Å |
| 163 | I | 84.2 | Confident | 71.9 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 124 | 169.7 | -51.8 | 176.3 | 0 | 0 | 0 | 106.1 | G161 T169 L170 T172 V182 T183 V184 | G161-I163 PolarHBondContact O-N 2.96Å; I163-T169 CarbonylContact O-C 3.54Å; I163-T169 VanDerWaalsContact O-CA 3.32Å; I163-T169 WeakPolarHBondContact O-CA 3.46Å; I163-T169 WeakPolarHBondContact O-CG2 3.35Å; I163-L170 HydrophobicContact CB-CB 4.4Å; I163-L170 HydrophobicContact CG2-CB 3.96Å; I163-L170 HydrophobicContact CG2-CD1 4.43Å; I163-L170 PolarHBondContact O-N 3.04Å; I163-T172 HydrophobicContact CD1-CG2 3.79Å; I163-V182 HydrophobicContact CG2-CG1 3.54Å; I163-T183 CarbonylContact C-O 3.46Å; I163-T183 WeakPolarHBondContact CA-O 3.36Å; I163-V184 HydrophobicContact CG1-CG2 4.45Å; I163-V184 HydrophobicContact CG2-CG2 4.43Å |
| 164 | T | 85.8 | Confident | 72 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 9% | 0.092 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.5 | 179.7 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | E168 V182 T183 | T164-E168 CarbonylContact C-O 3.58Å; T164-E168 WeakPolarHBondContact CA-O 3.43Å; T164-E168 WeakPolarHBondContact CB-O 3.46Å; T164-V182 CarbonylContact O-C 3.4Å; T164-V182 VanDerWaalsContact O-CA 3.24Å; T164-V182 WeakPolarHBondContact O-CA 3.15Å; T164-T183 PolarHBondContact N-O 3.5Å; T164-T183 PolarHBondContact O-N 3.24Å |
| 165 | R | 86.3 | Confident | 72.8 | Confident | 65 Ų | 65 | 78 Ų | 78 | 25% | 0.245 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114.8 | 165.8 | 173.3 | -170.6 | 64.3 | -167.6 | -2.9 | 108.4 | G167 E168 L170 D180 V181 | R165-G167 PolarHBondContact O-N 3.1Å; R165-G167 VanDerWaalsContact O-N 3.15Å; R165-E168 IonicContact CZ-OE2 3.46Å; R165-E168 PolarHBondContact N-O 3.37Å; R165-E168 IonicContact NE-OE2 3.78Å; R165-E168 IonicContact NH2-OE2 3.7Å; R165-E168 PolarHBondContact NH2-OE2 3.38Å; R165-E168 WeakPolarHBondContact O-CB 3.32Å; R165-E168 PolarHBondContact O-N 2.77Å; R165-L170 HydrophobicContact CB-CD1 3.66Å; R165-L170 HydrophobicContact CB-CD2 4.25Å; R165-L170 HydrophobicContact CB-CG 4.03Å; R165-D180 VanDerWaalsContact CD-OD2 3.28Å; R165-D180 WeakPolarHBondContact CD-OD2 3.32Å; R165-D180 HydrophobicContact CG-CB 4.26Å; R165-D180 IonicContact CZ-OD2 3.03Å; R165-D180 IonicContact NH1-OD2 3.1Å; R165-D180 PolarHBondContact NH1-OD2 3.43Å; R165-V181 WeakPolarHBondContact CA-O 3.11Å |
| 166 | G | 81.3 | Confident | 74.1 | Confident | 84 Ų | 84 | 80.2 Ų | 80.2 | 87% | 0.866 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 28.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 167 | G | 77.3 | Confident | 75.5 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -15.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R165 T169 | R165-G167 PolarHBondContact O-N 3.1Å; R165-G167 VanDerWaalsContact O-N 3.15Å; G167-T169 PolarHBondContact O-N 3.16Å |
| 168 | E | 78.3 | Confident | 77.1 | Confident | 114 Ų | 114 | 83.3 Ų | 83.3 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.6 | 175 | -174.4 | -170.1 | -172.1 | 0 | 0 | 110.2 | T164 R165 L170 | T164-E168 CarbonylContact C-O 3.58Å; T164-E168 WeakPolarHBondContact CA-O 3.43Å; T164-E168 WeakPolarHBondContact CB-O 3.46Å; R165-E168 IonicContact CZ-OE2 3.46Å; R165-E168 PolarHBondContact N-O 3.37Å; R165-E168 IonicContact NE-OE2 3.78Å; R165-E168 IonicContact NH2-OE2 3.7Å; R165-E168 PolarHBondContact NH2-OE2 3.38Å; R165-E168 WeakPolarHBondContact O-CB 3.32Å; R165-E168 PolarHBondContact O-N 2.77Å; E168-L170 PolarHBondContact O-N 2.84Å |
| 169 | T | 78.4 | Confident | 78.6 | Confident | 49 Ų | 49 | 80.8 Ų | 80.8 | 30% | 0.301 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 121.1 | -178.1 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | I163 G167 | I163-T169 CarbonylContact O-C 3.54Å; I163-T169 VanDerWaalsContact O-CA 3.32Å; I163-T169 WeakPolarHBondContact O-CA 3.46Å; I163-T169 WeakPolarHBondContact O-CG2 3.35Å; G167-T169 PolarHBondContact O-N 3.16Å |
| 170 | L | 74.8 | Confident | 80 | Confident | 16 Ų | 16 | 80.3 Ų | 80.3 | 8% | 0.084 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 166 | 178.5 | -61.7 | -177.5 | 0 | 0 | 0 | 113.1 | I163 R165 E168 D174 L176 V182 | I163-L170 HydrophobicContact CB-CB 4.4Å; I163-L170 HydrophobicContact CG2-CB 3.96Å; I163-L170 HydrophobicContact CG2-CD1 4.43Å; I163-L170 PolarHBondContact O-N 3.04Å; R165-L170 HydrophobicContact CB-CD1 3.66Å; R165-L170 HydrophobicContact CB-CD2 4.25Å; R165-L170 HydrophobicContact CB-CG 4.03Å; E168-L170 PolarHBondContact O-N 2.84Å; L170-D174 HydrophobicContact CD2-CB 4.34Å; L170-L176 HydrophobicContact CD1-CD2 3.73Å; L170-V182 HydrophobicContact CD1-CG1 4.4Å; L170-V182 HydrophobicContact CD1-CG2 4.09Å |
| 171 | R | 74.3 | Confident | 81.1 | Confident | 74 Ų | 74 | 78.8 Ų | 78.8 | 28% | 0.279 | 47% | 0.47 | S | S | . | . | trans | -107.7 | 160.3 | 164.8 | -56.3 | 172.6 | -62.8 | -167.1 | 2.8 | 109.5 | T32 R33 I173 D174 | T32-R171 VanDerWaalsContact C-NH1 3.26Å; T32-R171 PolarHBondContact O-NH1 3.44Å; T32-R171 PolarHBondContact O-NH2 2.76Å; T32-R171 PolarHBondContact OG1-NH1 2.88Å; R33-R171 VanDerWaalsContact CA-NH1 3.27Å; R171-I173 HydrophobicContact CB-CG1 4.02Å; R171-I173 PolarHBondContact O-N 3.32Å; R171-D174 WeakPolarHBondContact CB-OD2 3.46Å; R171-D174 IonicContact CZ-OD1 3.17Å; R171-D174 VanDerWaalsContact CZ-OD1 3.23Å; R171-D174 PolarHBondContact N-OD2 2.6Å; R171-D174 IonicContact NE-OD1 2.93Å; R171-D174 PolarHBondContact NE-OD1 3.09Å; R171-D174 IonicContact NE-OD2 2.65Å; R171-D174 IonicContact NH2-OD1 2.88Å; R171-D174 PolarHBondContact NH2-OD1 3.02Å; R171-D174 PolarHBondContact O-N 3.28Å | ||
| 172 | T | 74 | Confident | 82.3 | Confident | 130 Ų | 130 | 80.1 Ų | 80.1 | 80% | 0.798 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.9 | 176.1 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | I163 | I163-T172 HydrophobicContact CD1-CG2 3.79Š|
| 173 | I | 75.3 | Confident | 82.8 | Confident | 128 Ų | 128 | 83.2 Ų | 83.2 | 66% | 0.656 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -6.2 | -179.3 | 61.3 | 170.4 | 0 | 0 | 0 | 113.6 | R171 | R171-I173 HydrophobicContact CB-CG1 4.02Å; R171-I173 PolarHBondContact O-N 3.32Å |
| 174 | D | 77.1 | Confident | 82.7 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 25% | 0.246 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -70.4 | 139.7 | -177.5 | -65.6 | -25.8 | 0 | 0 | 0 | 110.1 | L170 R171 | L170-D174 HydrophobicContact CD2-CB 4.34Å; R171-D174 WeakPolarHBondContact CB-OD2 3.46Å; R171-D174 IonicContact CZ-OD1 3.17Å; R171-D174 VanDerWaalsContact CZ-OD1 3.23Å; R171-D174 PolarHBondContact N-OD2 2.6Å; R171-D174 IonicContact NE-OD1 2.93Å; R171-D174 PolarHBondContact NE-OD1 3.09Å; R171-D174 IonicContact NE-OD2 2.65Å; R171-D174 IonicContact NH2-OD1 2.88Å; R171-D174 PolarHBondContact NH2-OD1 3.02Å; R171-D174 PolarHBondContact O-N 3.28Å |
| 175 | R | 84.7 | Confident | 82.2 | Confident | 223 Ų | 223 | 87.6 Ų | 87.6 | 84% | 0.842 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 130.6 | 179.4 | -77.1 | -178.1 | 172.1 | 166.9 | -2 | 110.3 | ||
| 176 | L | 86.9 | Confident | 81.6 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 151.3 | 174.7 | -60.2 | 175.4 | 0 | 0 | 0 | 110.5 | L170 D180 V182 | L170-L176 HydrophobicContact CD1-CD2 3.73Å; L176-D180 WeakPolarHBondContact CA-OD2 3.2Å; L176-D180 HydrophobicContact CD2-CB 4.36Å; L176-V182 HydrophobicContact CD1-CG2 3.76Å; L176-V182 HydrophobicContact CD2-CG2 3.66Å; L176-V182 HydrophobicContact CG-CG2 4.37Å |
| 177 | H | 88.5 | Confident | 81 | Confident | 130 Ų | 130 | 88 Ų | 88 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | trans | -109.7 | 156 | 171.6 | -55.1 | 93.2 | 0 | 0 | 0 | 110.5 | G179 D180 | H177-G179 PolarHBondContact O-N 2.91Å; H177-D180 PolarHBondContact N-OD2 2.87Å; H177-D180 IonicContact ND1-OD2 3.57Å; H177-D180 VanDerWaalsContact O-CB 3.3Å; H177-D180 WeakPolarHBondContact O-CB 3.39Å; H177-D180 PolarHBondContact O-N 3.03Å | ||
| 178 | A | 92 | Very high | 80.6 | Confident | 111 Ų | 111 | 90.2 Ų | 90.2 | 92% | 0.917 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 127.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 179 | G | 89.8 | Confident | 80.2 | Confident | 77 Ų | 77 | 87.4 Ų | 87.4 | 79% | 0.794 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -11.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H177 V181 | H177-G179 PolarHBondContact O-N 2.91Å; G179-V181 PolarHBondContact O-N 3.41Å |
| 180 | D | 88.1 | Confident | 79.7 | Confident | 51 Ų | 51 | 90 Ų | 90 | 27% | 0.273 | 53% | 0.529 | S | S | . | . | trans | -63.1 | 125.9 | 172.7 | -75.8 | -7.1 | 0 | 0 | 0 | 110.2 | R165 L176 H177 | R165-D180 VanDerWaalsContact CD-OD2 3.28Å; R165-D180 WeakPolarHBondContact CD-OD2 3.32Å; R165-D180 HydrophobicContact CG-CB 4.26Å; R165-D180 IonicContact CZ-OD2 3.03Å; R165-D180 IonicContact NH1-OD2 3.1Å; R165-D180 PolarHBondContact NH1-OD2 3.43Å; L176-D180 WeakPolarHBondContact CA-OD2 3.2Å; L176-D180 HydrophobicContact CD2-CB 4.36Å; H177-D180 PolarHBondContact N-OD2 2.87Å; H177-D180 IonicContact ND1-OD2 3.57Å; H177-D180 VanDerWaalsContact O-CB 3.3Å; H177-D180 WeakPolarHBondContact O-CB 3.39Å; H177-D180 PolarHBondContact O-N 3.03Å | ||
| 181 | V | 88 | Confident | 79.3 | Confident | 108 Ų | 108 | 94.5 Ų | 94.5 | 66% | 0.655 | 55% | 0.549 | S | S | * | . | trans | -95.3 | 109.5 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | R165 G179 | R165-V181 WeakPolarHBondContact CA-O 3.11Å; G179-V181 PolarHBondContact O-N 3.41Å | ||
| 182 | V | 88.2 | Confident | 79.1 | Confident | 53 Ų | 53 | 95.7 Ų | 95.7 | 32% | 0.321 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.6 | 177 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | I163 T164 L170 L176 V184 | I163-V182 HydrophobicContact CG2-CG1 3.54Å; T164-V182 CarbonylContact O-C 3.4Å; T164-V182 VanDerWaalsContact O-CA 3.24Å; T164-V182 WeakPolarHBondContact O-CA 3.15Å; L170-V182 HydrophobicContact CD1-CG1 4.4Å; L170-V182 HydrophobicContact CD1-CG2 4.09Å; L176-V182 HydrophobicContact CD1-CG2 3.76Å; L176-V182 HydrophobicContact CD2-CG2 3.66Å; L176-V182 HydrophobicContact CG-CG2 4.37Å; V182-V184 HydrophobicContact CG1-CG2 4.42Å |
| 183 | T | 85.3 | Confident | 79.6 | Confident | 72 Ų | 72 | 90.6 Ų | 90.6 | 44% | 0.442 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.5 | 173.6 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | I163 T164 | I163-T183 CarbonylContact C-O 3.46Å; I163-T183 WeakPolarHBondContact CA-O 3.36Å; T164-T183 PolarHBondContact N-O 3.5Å; T164-T183 PolarHBondContact O-N 3.24Å |
| 184 | V | 81.7 | Confident | 80.1 | Confident | 89 Ų | 89 | 91.5 Ų | 91.5 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.3 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | G162 I163 V182 L186 | G162-V184 CarbonylContact O-C 3.53Å; G162-V184 WeakPolarHBondContact O-CA 3.34Å; G162-V184 WeakPolarHBondContact O-CG1 3.43Å; I163-V184 HydrophobicContact CG1-CG2 4.45Å; I163-V184 HydrophobicContact CG2-CG2 4.43Å; V182-V184 HydrophobicContact CG1-CG2 4.42Å; V184-L186 HydrophobicContact CG1-CD2 4.3Å |
| 185 | T | 76.7 | Confident | 80.7 | Confident | 66 Ų | 66 | 90.7 Ų | 90.7 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | trans | -88.2 | 113.4 | 174.4 | -53.9 | 0 | 0 | 0 | 0 | 108.9 | G161 G162 | G161-T185 WeakPolarHBondContact O-CB 3.28Å; G161-T185 PolarHBondContact O-OG1 3.01Å; G162-T185 PolarHBondContact O-N 2.84Å | ||
| 186 | L | 72.4 | Confident | 80.9 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 139.4 | 170.3 | -59.3 | -179.3 | 0 | 0 | 0 | 108.9 | V184 A188 N267 | V184-L186 HydrophobicContact CG1-CD2 4.3Å; L186-A188 PolarHBondContact O-N 2.92Å; L186-N267 HydrophobicContact CD1-CB 4.35Å |
| 187 | P | 69.3 | Low | 81 | Confident | 65 Ų | 65 | 85.6 Ų | 85.6 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 138.6 | 179.1 | 26.3 | -31.5 | 0 | 0 | 0 | 109.9 | I159 | I159-P187 HydrophobicContact CD1-CB 4.23Å; I159-P187 HydrophobicContact CD1-CG 4.01Å |
| 188 | A | 69.7 | Low | 81 | Confident | 106 Ų | 106 | 81.7 Ų | 81.7 | 88% | 0.876 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 143.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L186 | L186-A188 PolarHBondContact O-N 2.92Š|
| 189 | E | 69.6 | Low | 80.9 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 26% | 0.257 | 50% | 0.501 | S | S | . | . | trans | -113.4 | 138.1 | -178.6 | -56.7 | -168 | 91.6 | 0 | 0 | 109.9 | E191 V247 R249 R268 | E189-E191 PolarHBondContact O-N 3.39Å; E189-V247 HydrophobicContact CB-CG2 3.67Å; E189-R249 IonicContact OE1-CZ 3.88Å; E189-R249 IonicContact OE1-NH2 2.75Å; E189-R249 PolarHBondContact OE1-NH2 3.22Å; E189-R249 IonicContact OE2-CZ 2.74Å; E189-R249 IonicContact OE2-NH1 3.04Å; E189-R249 PolarHBondContact OE2-NH1 3.03Å; E189-R249 IonicContact OE2-NH2 2.75Å; E189-R249 PolarHBondContact OE2-NH2 3.08Å; E189-R268 IonicContact OE1-CZ 2.83Å; E189-R268 IonicContact OE1-NE 3.17Å; E189-R268 PolarHBondContact OE1-NE 2.93Å; E189-R268 IonicContact OE1-NH2 3.96Å; E189-R268 PolarHBondContact OE1-NH2 2.68Å | ||
| 190 | S | 66.9 | Low | 81 | Confident | 102 Ų | 102 | 81.1 Ų | 81.1 | 71% | 0.713 | 47% | 0.468 | S | S | * | . | trans | -68.6 | 130.5 | 172.9 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | V247 | S190-V247 WeakPolarHBondContact O-CG2 3.42Š| ||
| 191 | E | 66.4 | Low | 81.4 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | trans | -55.9 | 138.9 | 172.1 | -66.2 | 176.9 | -169.2 | 0 | 0 | 110.8 | E189 S245 | E189-E191 PolarHBondContact O-N 3.39Å; E191-S245 VanDerWaalsContact CG-OG 3.3Å; E191-S245 WeakPolarHBondContact CG-OG 3.45Å; E191-S245 WeakPolarHBondContact OE1-CB 3.41Å; E191-S245 PolarHBondContact OE1-OG 2.78Å | ||
| 192 | T | 70.2 | Confident | 81.8 | Confident | 99 Ų | 99 | 80 Ų | 80 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | trans | -107.9 | -13.4 | -179.2 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | V247 | T192-V247 HydrophobicContact CG2-CG1 4.27Š| ||
| 193 | V | 84.4 | Confident | 82.2 | Confident | 24 Ų | 24 | 81.9 Ų | 81.9 | 15% | 0.145 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -139.5 | 134.4 | -170 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | P195 P222 A232 N233 | V193-P195 WeakPolarHBondContact O-CD 3.49Å; V193-P222 HydrophobicContact CG1-CG 3.77Å; V193-P222 HydrophobicContact CG2-CG 4.02Å; V193-A232 HydrophobicContact CG1-CB 4.23Å; V193-A232 HydrophobicContact CG2-CB 4.26Å; V193-N233 HydrophobicContact CG1-CB 4.28Å; V193-N233 WeakPolarHBondContact CG1-ND2 3.41Å |
| 194 | E | 86.4 | Confident | 82.7 | Confident | 147 Ų | 147 | 84.2 Ų | 84.2 | 69% | 0.687 | 47% | 0.469 | S | S | * | . | trans | -64.6 | 127.5 | 176.4 | -173.3 | 175 | -170.2 | 0 | 0 | 110.9 | I196 N233 | E194-I196 PolarHBondContact O-N 2.96Å; E194-N233 PolarHBondContact O-ND2 3.22Å | ||
| 195 | P | 89.4 | Confident | 83.4 | Confident | 29 Ų | 29 | 82.1 Ų | 82.1 | 19% | 0.188 | 45% | 0.453 | C | S | . | . | trans | -64.7 | 126.3 | 174.2 | -22.8 | 34.7 | 0 | 0 | 0 | 111.6 | V193 A236 K240 | V193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-A236 HydrophobicContact CB-CB 4.13Å; P195-A236 HydrophobicContact CG-CB 4.16Å; P195-K240 HydrophobicContact CB-CB 4.28Å; P195-K240 HydrophobicContact CB-CD 3.73Å; P195-K240 HydrophobicContact CG-CD 3.79Å | ||
| 196 | I | 90.1 | Very high | 84.2 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | trans | -128.9 | 137.1 | 176.9 | -59.9 | 174.1 | 0 | 0 | 0 | 109 | E194 I198 G228 N233 | E194-I196 PolarHBondContact O-N 2.96Å; I196-I198 VanDerWaalsContact C-N 3.29Å; I196-I198 HydrophobicContact CB-CD1 4.5Å; I196-I198 HydrophobicContact CB-CG1 4.46Å; I196-I198 HydrophobicContact CG2-CD1 4.17Å; I196-I198 HydrophobicContact CG2-CG1 3.88Å; I196-I198 PolarHBondContact O-N 3.12Å; I196-G228 WeakPolarHBondContact CD1-O 3.47Å; I196-N233 HydrophobicContact CB-CB 4.02Å; I196-N233 HydrophobicContact CD1-CB 3.96Å; I196-N233 HydrophobicContact CG1-CB 4.11Å; I196-N233 PolarHBondContact N-O 2.88Å; I196-N233 VanDerWaalsContact N-O 3.11Å | ||
| 197 | D | 88 | Confident | 84.9 | Confident | 161 Ų | 161 | 81 Ų | 81 | 86% | 0.861 | 46% | 0.458 | S | S | * | . | trans | -73.9 | 81.7 | 179.9 | -169.3 | 14.6 | 0 | 0 | 0 | 110.8 | ||||
| 198 | I | 88.6 | Confident | 85.8 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | trans | -116.5 | 117.9 | 172.5 | -58 | 170.3 | 0 | 0 | 0 | 106.3 | I196 I200 A234 | I196-I198 VanDerWaalsContact C-N 3.29Å; I196-I198 HydrophobicContact CB-CD1 4.5Å; I196-I198 HydrophobicContact CB-CG1 4.46Å; I196-I198 HydrophobicContact CG2-CD1 4.17Å; I196-I198 HydrophobicContact CG2-CG1 3.88Å; I196-I198 PolarHBondContact O-N 3.12Å; I198-I200 PolarHBondContact O-N 2.99Å; I198-A234 HydrophobicContact CB-CB 3.64Å; I198-A234 HydrophobicContact CD1-CB 4.26Å; I198-A234 HydrophobicContact CG1-CB 4.46Å; I198-A234 HydrophobicContact CG2-CB 4Å | ||
| 199 | N | 90.3 | Very high | 86.9 | Confident | 157 Ų | 157 | 78.3 Ų | 78.3 | 84% | 0.84 | 43% | 0.425 | S | S | * | . | trans | -64.4 | 129.2 | -179.9 | -161.9 | 12.7 | 0 | 0 | 0 | 110.7 | ||||
| 200 | I | 92.4 | Very high | 88.1 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | trans | -120 | 140.9 | 179.9 | 50.7 | 173.2 | 0 | 0 | 0 | 110.1 | I198 V202 V212 L231 A234 V235 H238 | I198-I200 PolarHBondContact O-N 2.99Å; I200-V202 HydrophobicContact CD1-CG2 4.05Å; I200-V202 HydrophobicContact CG1-CG2 3.97Å; I200-V202 PolarHBondContact O-N 2.88Å; I200-V202 VanDerWaalsContact O-N 3.14Å; I200-V212 HydrophobicContact CD1-CG1 3.93Å; I200-L231 HydrophobicContact CG2-CD1 3.99Å; I200-A234 HydrophobicContact CG2-CB 3.5Å; I200-V235 HydrophobicContact CD1-CG2 3.95Å; I200-H238 HydrophobicContact CD1-CB 3.65Å; I200-H238 HydrophobicContact CG1-CB 4.2Å | ||
| 201 | D | 95.9 | Very high | 89.4 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 92.9 | 175.2 | 178.4 | 17.7 | 0 | 0 | 0 | 109 | V212 N213 | D201-V212 CarbonylContact O-C 3.49Å; D201-V212 VanDerWaalsContact O-CA 3.28Å; D201-V212 WeakPolarHBondContact O-CA 3.37Å; D201-N213 HydrophobicContact CB-CB 3.91Å; D201-N213 PolarHBondContact O-N 3.4Å; D201-N213 WeakPolarHBondContact OD2-CB 3.38Å; D201-N213 PolarHBondContact OD2-ND2 3.4Å |
| 202 | V | 96.4 | Very high | 90.8 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 117.4 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | I200 E205 L210 V212 | I200-V202 HydrophobicContact CD1-CG2 4.05Å; I200-V202 HydrophobicContact CG1-CG2 3.97Å; I200-V202 PolarHBondContact O-N 2.88Å; I200-V202 VanDerWaalsContact O-N 3.14Å; V202-E205 HydrophobicContact CG1-CB 4.16Å; V202-L210 HydrophobicContact CB-CD1 4.44Å; V202-L210 HydrophobicContact CG1-CD1 3.56Å; V202-L210 HydrophobicContact CG2-CD1 4.09Å; V202-V212 HydrophobicContact CG2-CG1 4.25Å |
| 203 | I | 96.4 | Very high | 92 | Very high | 92 Ų | 92 | 64.4 Ų | 64.4 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -36.8 | 177.9 | -57.6 | 162.1 | 0 | 0 | 0 | 110.5 | A211 N213 V261 | I203-A211 PolarHBondContact N-O 2.77Å; I203-N213 HydrophobicContact CD1-CB 3.73Å; I203-N213 HydrophobicContact CG1-CB 4.02Å; I203-V261 HydrophobicContact CD1-CB 4.25Å; I203-V261 HydrophobicContact CD1-CG1 3.94Å; I203-V261 HydrophobicContact CD1-CG2 3.59Å |
| 204 | Y | 95.9 | Very high | 92.5 | Very high | 120 Ų | 120 | 63.3 Ų | 63.3 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 139.8 | -176.7 | 178.3 | -91.6 | 0 | 0 | 0 | 110.5 | D206 L209 L210 A211 | Y204-D206 HydrophobicContact CE1-CB 4.05Å; Y204-D206 VanDerWaalsContact CE1-OD2 3.23Å; Y204-D206 WeakPolarHBondContact CE1-OD2 3.45Å; Y204-D206 PolarHBondContact OH-OD2 3.33Å; Y204-L209 HydrophobicContact CE1-CB 4.42Å; Y204-L210 CarbonylContact O-C 3.49Å; Y204-L210 WeakPolarHBondContact O-CA 3.37Å; Y204-A211 PolarHBondContact N-O 2.82Å; Y204-A211 PolarHBondContact O-N 3.13Å |
| 205 | E | 95.3 | Very high | 92.7 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 135 | 172 | -172.6 | 174.8 | 167.9 | 0 | 0 | 111.1 | V202 L209 L210 H238 E242 K244 | V202-E205 HydrophobicContact CG1-CB 4.16Å; E205-L209 WeakPolarHBondContact CA-O 3.48Å; E205-L210 HydrophobicContact CB-CD1 3.87Å; E205-L210 HydrophobicContact CG-CD1 3.95Å; E205-H238 IonicContact OE2-CD2 3.23Å; E205-H238 IonicContact OE2-CE1 3.81Å; E205-H238 IonicContact OE2-NE2 2.76Å; E205-H238 PolarHBondContact OE2-NE2 2.9Å; E205-E242 VanDerWaalsContact OE1-OE2 3.1Å; E205-K244 IonicContact OE1-NZ 3.45Å; E205-K244 PolarHBondContact OE1-NZ 3.06Å |
| 206 | D | 94 | Very high | 92.8 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | trans | -137.1 | -163.2 | 167.3 | 67.1 | 27 | 0 | 0 | 0 | 111.1 | Y204 D208 L209 L266 | Y204-D206 HydrophobicContact CE1-CB 4.05Å; Y204-D206 VanDerWaalsContact CE1-OD2 3.23Å; Y204-D206 WeakPolarHBondContact CE1-OD2 3.45Å; Y204-D206 PolarHBondContact OH-OD2 3.33Å; D206-D208 PolarHBondContact O-N 3.42Å; D206-D208 WeakPolarHBondContact OD1-CA 3.47Å; D206-D208 PolarHBondContact OD1-N 3.42Å; D206-L209 PolarHBondContact N-O 3.15Å; D206-L209 PolarHBondContact OD1-N 3.21Å; D206-L266 VanDerWaalsContact O-CD1 3.3Å; D206-L266 WeakPolarHBondContact O-CD1 3.18Å | ||
| 207 | A | 87.2 | Confident | 92.8 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 71% | 0.711 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -69.1 | -20.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 208 | D | 88.9 | Confident | 92.9 | Very high | 73 Ų | 73 | 59.8 Ų | 59.8 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -113.8 | -30.4 | -171.9 | -72 | -52.6 | 0 | 0 | 0 | 112.8 | D206 L266 N267 A270 | D206-D208 PolarHBondContact O-N 3.42Å; D206-D208 WeakPolarHBondContact OD1-CA 3.47Å; D206-D208 PolarHBondContact OD1-N 3.42Å; D208-L266 WeakPolarHBondContact O-CB 3.43Å; D208-L266 PolarHBondContact O-N 3.42Å; D208-N267 PolarHBondContact OD1-ND2 3.32Å; D208-A270 HydrophobicContact CB-CB 4.12Å |
| 209 | L | 92.2 | Very high | 93 | Very high | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.8 | -166.4 | -59.6 | -179.8 | 0 | 0 | 0 | 112.8 | Y204 E205 D206 V263 C264 A270 L274 | Y204-L209 HydrophobicContact CE1-CB 4.42Å; E205-L209 WeakPolarHBondContact CA-O 3.48Å; D206-L209 PolarHBondContact N-O 3.15Å; D206-L209 PolarHBondContact OD1-N 3.21Å; L209-V263 HydrophobicContact CD2-CG1 4.49Å; L209-C264 WeakPolarHBondContact CA-O 3.18Å; L209-A270 HydrophobicContact CD2-CB 4.03Å; L209-L274 HydrophobicContact CD1-CD1 4.25Å; L209-L274 HydrophobicContact CD2-CD1 3.22Å; L209-L274 HydrophobicContact CD2-CG 4.35Å; L209-L274 HydrophobicContact CG-CD1 4.39Å |
| 210 | L | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 116.6 | 170.7 | 173 | 66.4 | 0 | 0 | 0 | 108.8 | V202 Y204 E205 V212 V235 C264 L266 | V202-L210 HydrophobicContact CB-CD1 4.44Å; V202-L210 HydrophobicContact CG1-CD1 3.56Å; V202-L210 HydrophobicContact CG2-CD1 4.09Å; Y204-L210 CarbonylContact O-C 3.49Å; Y204-L210 WeakPolarHBondContact O-CA 3.37Å; E205-L210 HydrophobicContact CB-CD1 3.87Å; E205-L210 HydrophobicContact CG-CD1 3.95Å; L210-V212 HydrophobicContact CD1-CG1 4.06Å; L210-V212 HydrophobicContact CD2-CG1 4.16Å; L210-V212 HydrophobicContact CG-CG1 3.87Å; L210-V235 HydrophobicContact CD2-CB 4.33Å; L210-V235 HydrophobicContact CD2-CG1 3.61Å; L210-V235 HydrophobicContact CD2-CG2 3.9Å; L210-C264 HydrophobicContact CB-CB 4.36Å; L210-C264 PolarHBondContact N-O 2.89Å; L210-C264 WeakPolarHBondContact O-CA 3.38Å; L210-C264 PolarHBondContact O-N 3.07Å; L210-L266 HydrophobicContact CB-CD2 3.98Å; L210-L266 HydrophobicContact CB-CG 4.4Å |
| 211 | A | 94.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | I203 Y204 V261 V262 V263 | I203-A211 PolarHBondContact N-O 2.77Å; Y204-A211 PolarHBondContact N-O 2.82Å; Y204-A211 PolarHBondContact O-N 3.13Å; A211-V261 HydrophobicContact CB-CG1 4.44Å; A211-V262 WeakPolarHBondContact CA-O 3.16Å; A211-V263 HydrophobicContact CB-CG2 4.34Å |
| 212 | V | 95.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.8 | -176.7 | -65.5 | 0 | 0 | 0 | 0 | 110 | I200 D201 V202 L210 K214 L231 V261 V262 | I200-V212 HydrophobicContact CD1-CG1 3.93Å; D201-V212 CarbonylContact O-C 3.49Å; D201-V212 VanDerWaalsContact O-CA 3.28Å; D201-V212 WeakPolarHBondContact O-CA 3.37Å; V202-V212 HydrophobicContact CG2-CG1 4.25Å; L210-V212 HydrophobicContact CD1-CG1 4.06Å; L210-V212 HydrophobicContact CD2-CG1 4.16Å; L210-V212 HydrophobicContact CG-CG1 3.87Å; V212-K214 PolarHBondContact O-N 2.89Å; V212-L231 HydrophobicContact CG2-CD1 4.02Å; V212-L231 HydrophobicContact CG2-CD2 3.97Å; V212-L231 HydrophobicContact CG2-CG 4.48Å; V212-V261 CarbonylContact O-C 3.56Å; V212-V261 WeakPolarHBondContact O-CA 3.43Å; V212-V262 HydrophobicContact CG2-CB 4.06Å; V212-V262 WeakPolarHBondContact CG2-O 2.84Å; V212-V262 PolarHBondContact N-O 2.88Å; V212-V262 PolarHBondContact O-N 2.84Å |
| 213 | N | 95.7 | Very high | 91.6 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 97.5 | 167.2 | -166.2 | 8.4 | 0 | 0 | 0 | 108.4 | D201 I203 S215 G260 | D201-N213 HydrophobicContact CB-CB 3.91Å; D201-N213 PolarHBondContact O-N 3.4Å; D201-N213 WeakPolarHBondContact OD2-CB 3.38Å; D201-N213 PolarHBondContact OD2-ND2 3.4Å; I203-N213 HydrophobicContact CD1-CB 3.73Å; I203-N213 HydrophobicContact CG1-CB 4.02Å; N213-S215 PolarHBondContact O-N 2.81Å; N213-G260 WeakPolarHBondContact OD1-CA 3.42Å |
| 214 | K | 93.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 122.8 | -178.4 | -166.4 | -168.7 | 74.3 | 64.6 | 0 | 109.8 | V212 L218 M220 L231 D255 K256 T258 S259 G260 V262 | V212-K214 PolarHBondContact O-N 2.89Å; K214-L218 HydrophobicContact CG-CB 4.42Å; K214-L218 HydrophobicContact CG-CD2 4.24Å; K214-L218 PolarHBondContact NZ-O 2.68Å; K214-M220 HydrophobicContact CD-SD 3.54Å; K214-M220 VanDerWaalsContact CD-SD 3.54Å; K214-L231 HydrophobicContact CB-CD2 4.41Å; K214-L231 HydrophobicContact CD-CD2 4.05Å; K214-L231 HydrophobicContact CG-CD1 4.44Å; K214-L231 HydrophobicContact CG-CD2 4.04Å; K214-D255 PolarHBondContact NZ-O 2.59Å; K214-K256 PolarHBondContact NZ-O 2.95Å; K214-T258 WeakPolarHBondContact CE-O 3.21Å; K214-T258 PolarHBondContact NZ-O 3.18Å; K214-S259 CarbonylContact O-C 3.57Å; K214-S259 WeakPolarHBondContact O-CA 3.45Å; K214-S259 WeakPolarHBondContact O-CB 3.33Å; K214-G260 WeakPolarHBondContact CB-O 3.26Å; K214-G260 PolarHBondContact N-O 3.38Å; K214-G260 PolarHBondContact O-N 3.36Å; K214-V262 HydrophobicContact CB-CG2 3.88Å; K214-V262 HydrophobicContact CD-CG2 4.28Å |
| 215 | S | 92 | Very high | 89.6 | Confident | 70 Ų | 70 | 56 Ų | 56 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 153.3 | 169.2 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | N213 | N213-S215 PolarHBondContact O-N 2.81Š|
| 216 | P | 91.8 | Very high | 88.4 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 157.7 | 170.6 | 31.3 | -32.9 | 0 | 0 | 0 | 110.2 | L218 | P216-L218 PolarHBondContact O-N 3.43Š|
| 217 | F | 89.4 | Confident | 87.2 | Confident | 156 Ų | 156 | 60.3 Ų | 60.3 | 68% | 0.684 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | -4.5 | -177.9 | -46 | -68.6 | 0 | 0 | 0 | 116.9 | K256 | F217-K256 CarbonylContact C-O 3.44Å; F217-K256 WeakPolarHBondContact CA-O 3.41Å; F217-K256 PolarHBondContact N-O 2.96Å; F217-K256 WeakPolarHBondContact O-CE 3.45Å; F217-K256 WeakPolarHBondContact O-CG 3.49Å |
| 218 | L | 89.6 | Confident | 86.7 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | trans | -83.9 | 121.7 | 170.8 | -169.4 | 69 | 0 | 0 | 0 | 110.6 | K214 P216 D229 L231 | K214-L218 HydrophobicContact CG-CB 4.42Å; K214-L218 HydrophobicContact CG-CD2 4.24Å; K214-L218 PolarHBondContact NZ-O 2.68Å; P216-L218 PolarHBondContact O-N 3.43Å; L218-D229 WeakPolarHBondContact CD1-O 3.4Å; L218-L231 HydrophobicContact CD2-CB 3.94Å; L218-L231 HydrophobicContact CD2-CD1 3.82Å; L218-L231 HydrophobicContact CD2-CG 4.5Å; L218-L231 HydrophobicContact CG-CB 4.35Å | ||
| 219 | A | 90.4 | Very high | 86.5 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 153.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H226 T230 L231 K256 | A219-H226 HydrophobicContact CB-CB 4.43Å; A219-T230 HydrophobicContact CB-CG2 4.08Å; A219-T230 CarbonylContact O-C 3.38Å; A219-T230 VanDerWaalsContact O-CA 3.22Å; A219-T230 WeakPolarHBondContact O-CA 3.49Å; A219-T230 WeakPolarHBondContact O-CB 3.43Å; A219-L231 PolarHBondContact O-N 3.17Å; A219-K256 HydrophobicContact CB-CG 4.42Å |
| 220 | M | 91 | Very high | 86.5 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -75.9 | -47.1 | -177.7 | -69.7 | -65.8 | -66.4 | 0 | 0 | 113.3 | K214 L231 A232 F248 C250 R253 L254 V262 | K214-M220 HydrophobicContact CD-SD 3.54Å; K214-M220 VanDerWaalsContact CD-SD 3.54Å; M220-L231 HydrophobicContact CE-CD2 4.03Å; M220-L231 HydrophobicContact SD-CD2 3.82Å; M220-A232 WeakPolarHBondContact O-CB 3.19Å; M220-A232 PolarHBondContact O-N 3.31Å; M220-A232 VanDerWaalsContact O-N 3.08Å; M220-F248 HydrophobicContact CE-CZ 4.25Å; M220-C250 HydrophobicContact CE-CB 3.4Å; M220-R253 HydrophobicContact CE-CG 4.26Å; M220-R253 HydrophobicContact CG-CB 4.37Å; M220-R253 HydrophobicContact CG-CG 4.45Å; M220-L254 WeakPolarHBondContact CG-O 3.46Å; M220-V262 HydrophobicContact CE-CG1 3.54Å; M220-V262 HydrophobicContact CE-CG2 4.23Å; M220-V262 HydrophobicContact SD-CG1 4.46Å; M220-V262 HydrophobicContact SD-CG2 4.18Å |
| 221 | H | 90.2 | Very high | 86.4 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -129.3 | 153.3 | -174.4 | -70.1 | -80.7 | 0 | 0 | 0 | 110.7 | T223 T230 F248 C250 | H221-T223 PolarHBondContact O-N 3.41Å; H221-T230 WeakPolarHBondContact O-CG2 3.48Å; H221-F248 AromaticContact CE1-CD1 3.46Å; H221-F248 VanDerWaalsContact CE1-CD1 3.46Å; H221-F248 WeakPolarHBondContact CE1-CD1 3.39Å; H221-F248 AromaticContact CE1-CE1 3.46Å; H221-F248 VanDerWaalsContact CE1-CE1 3.46Å; H221-F248 WeakPolarHBondContact CE1-CE1 3.49Å; H221-F248 AromaticContact ND1-CD1 3.68Å; H221-F248 AromaticContact ND1-CE1 3.78Å; H221-F248 AromaticContact NE2-CE1 3.95Å; H221-C250 PolarHBondContact NE2-SG 3.12Å |
| 222 | P | 84.7 | Confident | 86.3 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 25% | 0.253 | 29% | 0.287 | S | S | . | . | trans | -56.2 | 135.1 | 173 | -24 | 34.3 | 0 | 0 | 0 | 111.3 | V193 H226 T230 | V193-P222 HydrophobicContact CG1-CG 3.77Å; V193-P222 HydrophobicContact CG2-CG 4.02Å; P222-H226 WeakPolarHBondContact CA-O 3.44Å; P222-T230 WeakPolarHBondContact CD-OG1 3.38Å | ||
| 223 | T | 81.2 | Confident | 86.1 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -133.9 | 172.7 | 172.3 | 62.9 | 0 | 0 | 0 | 0 | 108.7 | H221 N225 H226 Q227 | H221-T223 PolarHBondContact O-N 3.41Å; T223-N225 PolarHBondContact O-N 3.3Å; T223-N225 VanDerWaalsContact O-N 3.07Å; T223-H226 PolarHBondContact N-O 2.84Å; T223-H226 VanDerWaalsContact N-O 3.09Å; T223-H226 CarbonylContact O-C 3.53Å; T223-H226 VanDerWaalsContact O-C 3.23Å; T223-H226 PolarHBondContact O-N 2.96Å; T223-Q227 PolarHBondContact O-NE2 3.4Å |
| 224 | H | 75.4 | Confident | 86 | Confident | 170 Ų | 170 | 51.6 Ų | 51.6 | 79% | 0.787 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -38.6 | 178.4 | -179.1 | -83.4 | 0 | 0 | 0 | 113.2 | ||
| 225 | N | 73.8 | Confident | 86 | Confident | 129 Ų | 129 | 51.6 Ų | 51.6 | 69% | 0.69 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3.4 | -179 | -65.1 | -7.6 | 0 | 0 | 0 | 113.8 | T223 | T223-N225 PolarHBondContact O-N 3.3Å; T223-N225 VanDerWaalsContact O-N 3.07Å |
| 226 | H | 70 | Confident | 86 | Confident | 35 Ų | 35 | 49 Ų | 49 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -136.8 | 67.7 | -174.3 | -71.7 | -57.3 | 0 | 0 | 0 | 109.7 | A219 P222 T223 D229 T230 K256 | A219-H226 HydrophobicContact CB-CB 4.43Å; P222-H226 WeakPolarHBondContact CA-O 3.44Å; T223-H226 PolarHBondContact N-O 2.84Å; T223-H226 VanDerWaalsContact N-O 3.09Å; T223-H226 CarbonylContact O-C 3.53Å; T223-H226 VanDerWaalsContact O-C 3.23Å; T223-H226 PolarHBondContact O-N 2.96Å; H226-D229 WeakPolarHBondContact CA-OD1 3.48Å; H226-D229 WeakPolarHBondContact CB-OD1 3.35Å; H226-D229 IonicContact CE1-OD2 2.74Å; H226-D229 PolarHBondContact CE1-OD2 3.49Å; H226-D229 IonicContact CG-OD1 3.31Å; H226-D229 IonicContact CG-OD2 2.65Å; H226-D229 VanDerWaalsContact ND1-CG 3.26Å; H226-D229 IonicContact ND1-OD1 3.87Å; H226-D229 PolarHBondContact ND1-OD1 3.35Å; H226-D229 IonicContact ND1-OD2 2.9Å; H226-D229 PolarHBondContact ND1-OD2 2.97Å; H226-T230 HydrophobicContact CB-CG2 3.91Å; H226-T230 WeakPolarHBondContact O-CG2 3.48Å; H226-K256 PolarHBondContact CE1-NZ 3.18Å; H226-K256 PolarHBondContact NE2-NZ 3.22Å |
| 227 | Q | 69.9 | Low | 86 | Confident | 151 Ų | 151 | 47 Ų | 47 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -95 | 94.9 | 173.3 | -65.9 | -69.7 | -5.7 | 0 | 0 | 107.1 | T223 | T223-Q227 PolarHBondContact O-NE2 3.4Š|
| 228 | G | 75.8 | Confident | 86.2 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 107.1 | 3.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | I196 N233 | I196-G228 WeakPolarHBondContact CD1-O 3.47Å; G228-N233 WeakPolarHBondContact CA-OD1 3.37Å |
| 229 | D | 84 | Confident | 86.2 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | trans | -120.8 | 44.1 | 177.9 | 65.2 | -26.6 | 0 | 0 | 0 | 111.3 | L218 H226 | L218-D229 WeakPolarHBondContact CD1-O 3.4Å; H226-D229 WeakPolarHBondContact CA-OD1 3.48Å; H226-D229 WeakPolarHBondContact CB-OD1 3.35Å; H226-D229 IonicContact CE1-OD2 2.74Å; H226-D229 PolarHBondContact CE1-OD2 3.49Å; H226-D229 IonicContact CG-OD1 3.31Å; H226-D229 IonicContact CG-OD2 2.65Å; H226-D229 VanDerWaalsContact ND1-CG 3.26Å; H226-D229 IonicContact ND1-OD1 3.87Å; H226-D229 PolarHBondContact ND1-OD1 3.35Å; H226-D229 IonicContact ND1-OD2 2.9Å; H226-D229 PolarHBondContact ND1-OD2 2.97Å | ||
| 230 | T | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -124.4 | 156.1 | -174.5 | 80.4 | 0 | 0 | 0 | 0 | 112.5 | A219 H221 P222 H226 A232 N233 A234 | A219-T230 HydrophobicContact CB-CG2 4.08Å; A219-T230 CarbonylContact O-C 3.38Å; A219-T230 VanDerWaalsContact O-CA 3.22Å; A219-T230 WeakPolarHBondContact O-CA 3.49Å; A219-T230 WeakPolarHBondContact O-CB 3.43Å; H221-T230 WeakPolarHBondContact O-CG2 3.48Å; P222-T230 WeakPolarHBondContact CD-OG1 3.38Å; H226-T230 HydrophobicContact CB-CG2 3.91Å; H226-T230 WeakPolarHBondContact O-CG2 3.48Å; T230-A232 PolarHBondContact O-N 3.33Å; T230-N233 WeakPolarHBondContact O-CB 3.03Å; T230-N233 PolarHBondContact O-N 3.38Å; T230-N233 PolarHBondContact OG1-N 2.91Å; T230-N233 PolarHBondContact OG1-OD1 3.5Å; T230-A234 PolarHBondContact O-N 2.98Å |
| 231 | L | 93.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -34 | 176 | -173.9 | 63.6 | 0 | 0 | 0 | 111.3 | I200 V212 K214 L218 A219 M220 A234 V235 F248 V262 | I200-L231 HydrophobicContact CG2-CD1 3.99Å; V212-L231 HydrophobicContact CG2-CD1 4.02Å; V212-L231 HydrophobicContact CG2-CD2 3.97Å; V212-L231 HydrophobicContact CG2-CG 4.48Å; K214-L231 HydrophobicContact CB-CD2 4.41Å; K214-L231 HydrophobicContact CD-CD2 4.05Å; K214-L231 HydrophobicContact CG-CD1 4.44Å; K214-L231 HydrophobicContact CG-CD2 4.04Å; L218-L231 HydrophobicContact CD2-CB 3.94Å; L218-L231 HydrophobicContact CD2-CD1 3.82Å; L218-L231 HydrophobicContact CD2-CG 4.5Å; L218-L231 HydrophobicContact CG-CB 4.35Å; A219-L231 PolarHBondContact O-N 3.17Å; M220-L231 HydrophobicContact CE-CD2 4.03Å; M220-L231 HydrophobicContact SD-CD2 3.82Å; L231-A234 PolarHBondContact O-N 3.14Å; L231-V235 HydrophobicContact CD1-CG2 4.2Å; L231-V235 HydrophobicContact CG-CG2 4.23Å; L231-V235 WeakPolarHBondContact O-CB 3.42Å; L231-V235 WeakPolarHBondContact O-CG2 3.41Å; L231-V235 PolarHBondContact O-N 2.97Å; L231-F248 HydrophobicContact CB-CZ 4.36Å; L231-F248 HydrophobicContact CD2-CE2 4.41Å; L231-F248 HydrophobicContact CD2-CZ 4.18Å; L231-F248 HydrophobicContact CG-CE2 4.13Å; L231-F248 HydrophobicContact CG-CZ 4.15Å; L231-V262 HydrophobicContact CD2-CB 4.16Å; L231-V262 HydrophobicContact CD2-CG1 4.01Å; L231-V262 HydrophobicContact CD2-CG2 4.32Å |
| 232 | A | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | V193 M220 T230 A236 F248 | V193-A232 HydrophobicContact CG1-CB 4.23Å; V193-A232 HydrophobicContact CG2-CB 4.26Å; M220-A232 WeakPolarHBondContact O-CB 3.19Å; M220-A232 PolarHBondContact O-N 3.31Å; M220-A232 VanDerWaalsContact O-N 3.08Å; T230-A232 PolarHBondContact O-N 3.33Å; A232-A236 VanDerWaalsContact O-CB 3.31Å; A232-A236 WeakPolarHBondContact O-CB 3.39Å; A232-A236 PolarHBondContact O-N 3.28Å; A232-F248 HydrophobicContact CB-CB 3.98Å; A232-F248 HydrophobicContact CB-CD1 3.39Å; A232-F248 HydrophobicContact CB-CD2 4.14Å; A232-F248 HydrophobicContact CB-CE1 3.79Å; A232-F248 HydrophobicContact CB-CE2 4.47Å; A232-F248 HydrophobicContact CB-CG 3.56Å; A232-F248 HydrophobicContact CB-CZ 4.31Å |
| 233 | N | 91.9 | Very high | 86.1 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 176 | -63.1 | 104.5 | 0 | 0 | 0 | 111.2 | V193 E194 I196 G228 T230 A236 G237 | V193-N233 HydrophobicContact CG1-CB 4.28Å; V193-N233 WeakPolarHBondContact CG1-ND2 3.41Å; E194-N233 PolarHBondContact O-ND2 3.22Å; I196-N233 HydrophobicContact CB-CB 4.02Å; I196-N233 HydrophobicContact CD1-CB 3.96Å; I196-N233 HydrophobicContact CG1-CB 4.11Å; I196-N233 PolarHBondContact N-O 2.88Å; I196-N233 VanDerWaalsContact N-O 3.11Å; G228-N233 WeakPolarHBondContact CA-OD1 3.37Å; T230-N233 WeakPolarHBondContact O-CB 3.03Å; T230-N233 PolarHBondContact O-N 3.38Å; T230-N233 PolarHBondContact OG1-N 2.91Å; T230-N233 PolarHBondContact OG1-OD1 3.5Å; N233-A236 PolarHBondContact O-N 2.9Å; N233-G237 PolarHBondContact O-N 2.93Å |
| 234 | A | 93.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I198 I200 T230 L231 A236 G237 H238 | I198-A234 HydrophobicContact CB-CB 3.64Å; I198-A234 HydrophobicContact CD1-CB 4.26Å; I198-A234 HydrophobicContact CG1-CB 4.46Å; I198-A234 HydrophobicContact CG2-CB 4Å; I200-A234 HydrophobicContact CG2-CB 3.5Å; T230-A234 PolarHBondContact O-N 2.98Å; L231-A234 PolarHBondContact O-N 3.14Å; A234-A236 VanDerWaalsContact C-N 3.35Å; A234-G237 PolarHBondContact O-N 3.2Å; A234-H238 PolarHBondContact O-N 3.49Å |
| 235 | V | 93.4 | Very high | 86.6 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.9 | 167.7 | 0 | 0 | 0 | 0 | 111 | I200 L210 L231 G237 H238 L239 F248 | I200-V235 HydrophobicContact CD1-CG2 3.95Å; L210-V235 HydrophobicContact CD2-CB 4.33Å; L210-V235 HydrophobicContact CD2-CG1 3.61Å; L210-V235 HydrophobicContact CD2-CG2 3.9Å; L231-V235 HydrophobicContact CD1-CG2 4.2Å; L231-V235 HydrophobicContact CG-CG2 4.23Å; L231-V235 WeakPolarHBondContact O-CB 3.42Å; L231-V235 WeakPolarHBondContact O-CG2 3.41Å; L231-V235 PolarHBondContact O-N 2.97Å; V235-G237 VanDerWaalsContact C-N 3.32Å; V235-G237 PolarHBondContact O-N 2.97Å; V235-H238 PolarHBondContact O-N 3.32Å; V235-L239 HydrophobicContact CG1-CD1 3.93Å; V235-L239 HydrophobicContact CG1-CG 4.32Å; V235-L239 WeakPolarHBondContact O-CB 3.42Å; V235-L239 VanDerWaalsContact O-CG 3.3Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 3.07Å; V235-F248 HydrophobicContact CB-CD2 3.82Å; V235-F248 HydrophobicContact CB-CE2 4.09Å; V235-F248 HydrophobicContact CG1-CD2 3.92Å; V235-F248 HydrophobicContact CG1-CE2 4.46Å; V235-F248 HydrophobicContact CG2-CD2 4.13Å; V235-F248 HydrophobicContact CG2-CE2 3.88Å |
| 236 | A | 91.8 | Very high | 86.9 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P195 A232 N233 A234 K240 | P195-A236 HydrophobicContact CB-CB 4.13Å; P195-A236 HydrophobicContact CG-CB 4.16Å; A232-A236 VanDerWaalsContact O-CB 3.31Å; A232-A236 WeakPolarHBondContact O-CB 3.39Å; A232-A236 PolarHBondContact O-N 3.28Å; N233-A236 PolarHBondContact O-N 2.9Å; A234-A236 VanDerWaalsContact C-N 3.35Å; A236-K240 VanDerWaalsContact O-CB 3.28Å; A236-K240 WeakPolarHBondContact O-CB 3.46Å; A236-K240 PolarHBondContact O-N 3.44Å |
| 237 | G | 92 | Very high | 87.6 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -49.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | N233 A234 V235 K240 G241 | N233-G237 PolarHBondContact O-N 2.93Å; A234-G237 PolarHBondContact O-N 3.2Å; V235-G237 VanDerWaalsContact C-N 3.32Å; V235-G237 PolarHBondContact O-N 2.97Å; G237-K240 PolarHBondContact O-N 3.25Å; G237-G241 PolarHBondContact O-N 3.28Å |
| 238 | H | 93.6 | Very high | 88.4 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.7 | -53.3 | 176.7 | 176.5 | 74.7 | 0 | 0 | 0 | 111.9 | I200 E205 A234 V235 K240 G241 E242 | I200-H238 HydrophobicContact CD1-CB 3.65Å; I200-H238 HydrophobicContact CG1-CB 4.2Å; E205-H238 IonicContact OE2-CD2 3.23Å; E205-H238 IonicContact OE2-CE1 3.81Å; E205-H238 IonicContact OE2-NE2 2.76Å; E205-H238 PolarHBondContact OE2-NE2 2.9Å; A234-H238 PolarHBondContact O-N 3.49Å; V235-H238 PolarHBondContact O-N 3.32Å; H238-K240 VanDerWaalsContact C-N 3.33Å; H238-K240 PolarHBondContact O-N 2.92Å; H238-G241 PolarHBondContact O-N 3.2Å; H238-G241 VanDerWaalsContact O-N 3.11Å; H238-E242 IonicContact CE1-OE1 3.14Å; H238-E242 IonicContact NE2-OE1 3.34Å; H238-E242 PolarHBondContact O-N 2.72Å |
| 239 | L | 91.3 | Very high | 89 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 180 | -68.2 | 174.6 | 0 | 0 | 0 | 111.9 | V235 G241 E242 G243 K244 A246 L266 | V235-L239 HydrophobicContact CG1-CD1 3.93Å; V235-L239 HydrophobicContact CG1-CG 4.32Å; V235-L239 WeakPolarHBondContact O-CB 3.42Å; V235-L239 VanDerWaalsContact O-CG 3.3Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 3.07Å; L239-G241 VanDerWaalsContact C-N 3.29Å; L239-G241 PolarHBondContact O-N 2.97Å; L239-E242 CarbonylContact O-C 3.55Å; L239-E242 PolarHBondContact O-N 2.94Å; L239-E242 VanDerWaalsContact O-N 3.08Å; L239-G243 PolarHBondContact O-N 2.92Å; L239-K244 CarbonylContact C-O 3.55Å; L239-K244 HydrophobicContact CB-CB 4.13Å; L239-K244 HydrophobicContact CD2-CB 4.23Å; L239-K244 HydrophobicContact CD2-CD 4.08Å; L239-K244 CarbonylContact O-C 3.56Å; L239-K244 WeakPolarHBondContact O-CA 3.18Å; L239-K244 WeakPolarHBondContact O-CB 3.16Å; L239-K244 PolarHBondContact O-N 3.34Å; L239-A246 HydrophobicContact CD1-CB 3.63Å; L239-L266 HydrophobicContact CD1-CD2 3.86Å; L239-L266 HydrophobicContact CD2-CD2 4.02Å |
| 240 | K | 90.4 | Very high | 89.3 | Confident | 137 Ų | 137 | 36.6 Ų | 36.6 | 60% | 0.596 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.2 | -37.3 | 176.7 | -178.1 | 173.5 | 177.6 | -179.7 | 0 | 112.2 | P195 A236 G237 H238 E242 G243 K244 | P195-K240 HydrophobicContact CB-CB 4.28Å; P195-K240 HydrophobicContact CB-CD 3.73Å; P195-K240 HydrophobicContact CG-CD 3.79Å; A236-K240 VanDerWaalsContact O-CB 3.28Å; A236-K240 WeakPolarHBondContact O-CB 3.46Å; A236-K240 PolarHBondContact O-N 3.44Å; G237-K240 PolarHBondContact O-N 3.25Å; H238-K240 VanDerWaalsContact C-N 3.33Å; H238-K240 PolarHBondContact O-N 2.92Å; K240-E242 PolarHBondContact O-N 2.9Å; K240-G243 PolarHBondContact O-N 2.84Å; K240-K244 WeakPolarHBondContact CA-O 3.47Å; K240-K244 PolarHBondContact N-O 3.38Å |
| 241 | G | 88.8 | Confident | 89 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 76% | 0.763 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60 | -30 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G237 H238 L239 G243 | G237-G241 PolarHBondContact O-N 3.28Å; H238-G241 PolarHBondContact O-N 3.2Å; H238-G241 VanDerWaalsContact O-N 3.11Å; L239-G241 VanDerWaalsContact C-N 3.29Å; L239-G241 PolarHBondContact O-N 2.97Å; G241-G243 VanDerWaalsContact C-N 3.35Å |
| 242 | E | 87.6 | Confident | 88.6 | Confident | 94 Ų | 94 | 39.5 Ų | 39.5 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.2 | 175.5 | -58.9 | -168.6 | 150.1 | 0 | 0 | 113.8 | E205 H238 L239 K240 K244 | E205-E242 VanDerWaalsContact OE1-OE2 3.1Å; H238-E242 IonicContact CE1-OE1 3.14Å; H238-E242 IonicContact NE2-OE1 3.34Å; H238-E242 PolarHBondContact O-N 2.72Å; L239-E242 CarbonylContact O-C 3.55Å; L239-E242 PolarHBondContact O-N 2.94Å; L239-E242 VanDerWaalsContact O-N 3.08Å; K240-E242 PolarHBondContact O-N 2.9Å; E242-K244 HydrophobicContact CB-CD 4.22Å; E242-K244 HydrophobicContact CB-CG 4.27Å; E242-K244 PolarHBondContact O-N 3.42Å; E242-K244 WeakPolarHBondContact OE2-CD 3.37Å; E242-K244 VanDerWaalsContact OE2-CE 3.31Å; E242-K244 WeakPolarHBondContact OE2-CE 3.4Å; E242-K244 IonicContact OE2-NZ 3.62Å; E242-K244 PolarHBondContact OE2-NZ 3.15Å |
| 243 | G | 85.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 47.2 Ų | 47.2 | 76% | 0.763 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 15.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L239 K240 G241 | L239-G243 PolarHBondContact O-N 2.92Å; K240-G243 PolarHBondContact O-N 2.84Å; G241-G243 VanDerWaalsContact C-N 3.35Å |
| 244 | K | 85.4 | Confident | 88.3 | Confident | 93 Ų | 93 | 48.8 Ų | 48.8 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | trans | -97.3 | 158.7 | 174.7 | -61.2 | 171.3 | -177 | 161.8 | 0 | 110.1 | E205 L239 K240 E242 | E205-K244 IonicContact OE1-NZ 3.45Å; E205-K244 PolarHBondContact OE1-NZ 3.06Å; L239-K244 CarbonylContact C-O 3.55Å; L239-K244 HydrophobicContact CB-CB 4.13Å; L239-K244 HydrophobicContact CD2-CB 4.23Å; L239-K244 HydrophobicContact CD2-CD 4.08Å; L239-K244 CarbonylContact O-C 3.56Å; L239-K244 WeakPolarHBondContact O-CA 3.18Å; L239-K244 WeakPolarHBondContact O-CB 3.16Å; L239-K244 PolarHBondContact O-N 3.34Å; K240-K244 WeakPolarHBondContact CA-O 3.47Å; K240-K244 PolarHBondContact N-O 3.38Å; E242-K244 HydrophobicContact CB-CD 4.22Å; E242-K244 HydrophobicContact CB-CG 4.27Å; E242-K244 PolarHBondContact O-N 3.42Å; E242-K244 WeakPolarHBondContact OE2-CD 3.37Å; E242-K244 VanDerWaalsContact OE2-CE 3.31Å; E242-K244 WeakPolarHBondContact OE2-CE 3.4Å; E242-K244 IonicContact OE2-NZ 3.62Å; E242-K244 PolarHBondContact OE2-NZ 3.15Å | ||
| 245 | S | 82.5 | Confident | 88.1 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | trans | -142.3 | 132.6 | 169.2 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | E191 | E191-S245 VanDerWaalsContact CG-OG 3.3Å; E191-S245 WeakPolarHBondContact CG-OG 3.45Å; E191-S245 WeakPolarHBondContact OE1-CB 3.41Å; E191-S245 PolarHBondContact OE1-OG 2.78Å | ||
| 246 | A | 80.8 | Confident | 87.8 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | trans | -146.8 | 144.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L239 F248 L266 | L239-A246 HydrophobicContact CD1-CB 3.63Å; A246-F248 PolarHBondContact O-N 3.37Å; A246-L266 HydrophobicContact CB-CB 4.38Å; A246-L266 HydrophobicContact CB-CD2 4.27Å; A246-L266 WeakPolarHBondContact CB-O 3.41Å | ||
| 247 | V | 84.6 | Confident | 87.8 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 12% | 0.121 | 36% | 0.356 | C | S | . | . | trans | -69.3 | 123.4 | 168.1 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | E189 S190 T192 R249 | E189-V247 HydrophobicContact CB-CG2 3.67Å; S190-V247 WeakPolarHBondContact O-CG2 3.42Å; T192-V247 HydrophobicContact CG2-CG1 4.27Å; V247-R249 WeakPolarHBondContact O-CG 3.46Å; V247-R249 PolarHBondContact O-N 3.42Å | ||
| 248 | F | 85.4 | Confident | 87.8 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | trans | -60.7 | 121.6 | -179.7 | 177.8 | -100.8 | 0 | 0 | 0 | 112.1 | M220 H221 L231 A232 V235 A246 C250 C264 | M220-F248 HydrophobicContact CE-CZ 4.25Å; H221-F248 AromaticContact CE1-CD1 3.46Å; H221-F248 VanDerWaalsContact CE1-CD1 3.46Å; H221-F248 WeakPolarHBondContact CE1-CD1 3.39Å; H221-F248 AromaticContact CE1-CE1 3.46Å; H221-F248 VanDerWaalsContact CE1-CE1 3.46Å; H221-F248 WeakPolarHBondContact CE1-CE1 3.49Å; H221-F248 AromaticContact ND1-CD1 3.68Å; H221-F248 AromaticContact ND1-CE1 3.78Å; H221-F248 AromaticContact NE2-CE1 3.95Å; L231-F248 HydrophobicContact CB-CZ 4.36Å; L231-F248 HydrophobicContact CD2-CE2 4.41Å; L231-F248 HydrophobicContact CD2-CZ 4.18Å; L231-F248 HydrophobicContact CG-CE2 4.13Å; L231-F248 HydrophobicContact CG-CZ 4.15Å; A232-F248 HydrophobicContact CB-CB 3.98Å; A232-F248 HydrophobicContact CB-CD1 3.39Å; A232-F248 HydrophobicContact CB-CD2 4.14Å; A232-F248 HydrophobicContact CB-CE1 3.79Å; A232-F248 HydrophobicContact CB-CE2 4.47Å; A232-F248 HydrophobicContact CB-CG 3.56Å; A232-F248 HydrophobicContact CB-CZ 4.31Å; V235-F248 HydrophobicContact CB-CD2 3.82Å; V235-F248 HydrophobicContact CB-CE2 4.09Å; V235-F248 HydrophobicContact CG1-CD2 3.92Å; V235-F248 HydrophobicContact CG1-CE2 4.46Å; V235-F248 HydrophobicContact CG2-CD2 4.13Å; V235-F248 HydrophobicContact CG2-CE2 3.88Å; A246-F248 PolarHBondContact O-N 3.37Å; F248-C250 HydrophobicContact CE1-CB 4.01Å; F248-C250 HydrophobicContact CZ-CB 3.88Å; F248-C264 WeakPolarHBondContact CE2-SG 3.45Å | ||
| 249 | R | 89.5 | Confident | 87.8 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 17% | 0.166 | 38% | 0.379 | C | S | . | . | trans | -136.2 | 90.1 | 179.5 | -64.4 | 173.2 | 177.8 | 103.6 | 9.4 | 111.5 | E189 V247 V251 C264 A265 A271 | E189-R249 IonicContact OE1-CZ 3.88Å; E189-R249 IonicContact OE1-NH2 2.75Å; E189-R249 PolarHBondContact OE1-NH2 3.22Å; E189-R249 IonicContact OE2-CZ 2.74Å; E189-R249 IonicContact OE2-NH1 3.04Å; E189-R249 PolarHBondContact OE2-NH1 3.03Å; E189-R249 IonicContact OE2-NH2 2.75Å; E189-R249 PolarHBondContact OE2-NH2 3.08Å; V247-R249 WeakPolarHBondContact O-CG 3.46Å; V247-R249 PolarHBondContact O-N 3.42Å; R249-V251 PolarHBondContact O-N 2.87Å; R249-C264 CarbonylContact O-C 3.57Å; R249-C264 VanDerWaalsContact O-CA 3.25Å; R249-C264 WeakPolarHBondContact O-CA 3.43Å; R249-A265 HydrophobicContact CB-CB 4.27Å; R249-A265 WeakPolarHBondContact CB-O 3.36Å; R249-A265 PolarHBondContact O-N 3.49Å; R249-A271 HydrophobicContact CB-CB 4.44Å | ||
| 250 | C | 89.6 | Confident | 88 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.2 | 172.6 | 61 | 0 | 0 | 0 | 0 | 111.3 | M220 H221 F248 G252 V262 V263 | M220-C250 HydrophobicContact CE-CB 3.4Å; H221-C250 PolarHBondContact NE2-SG 3.12Å; F248-C250 HydrophobicContact CE1-CB 4.01Å; F248-C250 HydrophobicContact CZ-CB 3.88Å; C250-G252 VanDerWaalsContact CB-O 3.31Å; C250-G252 WeakPolarHBondContact CB-O 3.24Å; C250-G252 PolarHBondContact O-N 3.15Å; C250-G252 PolarHBondContact SG-O 3.29Å; C250-V262 HydrophobicContact CB-CG1 4.01Å; C250-V263 CarbonylContact C-O 3.55Å; C250-V263 WeakPolarHBondContact CA-O 3.49Å |
| 251 | V | 86.9 | Confident | 88.1 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 91 | 171.9 | -166.5 | 0 | 0 | 0 | 0 | 108.3 | R249 V263 A265 L274 I278 | R249-V251 PolarHBondContact O-N 2.87Å; V251-V263 PolarHBondContact N-O 2.85Å; V251-A265 HydrophobicContact CG2-CB 4.21Å; V251-L274 HydrophobicContact CB-CB 4.34Å; V251-L274 HydrophobicContact CG1-CB 3.81Å; V251-L274 HydrophobicContact CG2-CB 3.87Å; V251-L274 HydrophobicContact CG2-CD1 3.89Å; V251-I278 HydrophobicContact CB-CD1 3.52Å; V251-I278 HydrophobicContact CG1-CD1 3.28Å; V251-I278 HydrophobicContact CG1-CG1 3.86Å; V251-I278 HydrophobicContact CG2-CD1 4.41Å |
| 252 | G | 83.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 89.2 | 160.6 | -166 | 0 | 0 | 0 | 0 | 0 | 112 | C250 | C250-G252 VanDerWaalsContact CB-O 3.31Å; C250-G252 WeakPolarHBondContact CB-O 3.24Å; C250-G252 PolarHBondContact O-N 3.15Å; C250-G252 PolarHBondContact SG-O 3.29Å |
| 253 | R | 87.3 | Confident | 88.6 | Confident | 161 Ų | 161 | 55.9 Ų | 55.9 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | trans | -130.2 | 149.6 | -177.8 | -70.4 | 172.1 | 52.2 | 173 | -3.8 | 110.2 | M220 | M220-R253 HydrophobicContact CE-CG 4.26Å; M220-R253 HydrophobicContact CG-CB 4.37Å; M220-R253 HydrophobicContact CG-CG 4.45Å | ||
| 254 | L | 90.3 | Very high | 89 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 20% | 0.199 | 30% | 0.304 | C | S | . | . | trans | -110 | 146.9 | 163.3 | -65.4 | -179.5 | 0 | 0 | 0 | 108.4 | M220 T258 G260 V262 | M220-L254 WeakPolarHBondContact CG-O 3.46Å; L254-T258 HydrophobicContact CB-CG2 4.47Å; L254-T258 HydrophobicContact CD2-CG2 4.13Å; L254-G260 WeakPolarHBondContact CD1-O 3.42Å; L254-V262 HydrophobicContact CB-CG2 4.43Å; L254-V262 HydrophobicContact CD1-CG2 3.71Å; L254-V262 HydrophobicContact CG-CG2 3.91Å | ||
| 255 | D | 90.9 | Very high | 89.3 | Confident | 121 Ų | 121 | 48 Ų | 48 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | trans | -64.5 | 159.4 | 172.5 | -62.2 | -49.9 | 0 | 0 | 0 | 110.6 | K214 G257 T258 | K214-D255 PolarHBondContact NZ-O 2.59Å; D255-G257 VanDerWaalsContact C-N 3.26Å; D255-G257 PolarHBondContact O-N 2.59Å; D255-T258 PolarHBondContact O-N 3.41Å | ||
| 256 | K | 87.2 | Confident | 89.7 | Confident | 89 Ų | 89 | 45.7 Ų | 45.7 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -47.2 | -179 | -178.1 | -179.6 | 178.2 | -175.4 | 0 | 111.5 | K214 F217 A219 H226 T258 | K214-K256 PolarHBondContact NZ-O 2.95Å; F217-K256 CarbonylContact C-O 3.44Å; F217-K256 WeakPolarHBondContact CA-O 3.41Å; F217-K256 PolarHBondContact N-O 2.96Å; F217-K256 WeakPolarHBondContact O-CE 3.45Å; F217-K256 WeakPolarHBondContact O-CG 3.49Å; A219-K256 HydrophobicContact CB-CG 4.42Å; H226-K256 PolarHBondContact CE1-NZ 3.18Å; H226-K256 PolarHBondContact NE2-NZ 3.22Å; K256-T258 VanDerWaalsContact C-N 3.28Å; K256-T258 PolarHBondContact O-N 2.92Å |
| 257 | G | 90 | Very high | 89.9 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 50% | 0.495 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D255 | D255-G257 VanDerWaalsContact C-N 3.26Å; D255-G257 PolarHBondContact O-N 2.59Å |
| 258 | T | 93.3 | Very high | 89.8 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | trans | -97.3 | 128.6 | -173.4 | -55 | 0 | 0 | 0 | 0 | 110.2 | K214 L254 D255 K256 | K214-T258 WeakPolarHBondContact CE-O 3.21Å; K214-T258 PolarHBondContact NZ-O 3.18Å; L254-T258 HydrophobicContact CB-CG2 4.47Å; L254-T258 HydrophobicContact CD2-CG2 4.13Å; D255-T258 PolarHBondContact O-N 3.41Å; K256-T258 VanDerWaalsContact C-N 3.28Å; K256-T258 PolarHBondContact O-N 2.92Å | ||
| 259 | S | 93.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 58 Ų | 58 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | trans | -92 | 157.6 | 171.4 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | K214 | K214-S259 CarbonylContact O-C 3.57Å; K214-S259 WeakPolarHBondContact O-CA 3.45Å; K214-S259 WeakPolarHBondContact O-CB 3.33Å | ||
| 260 | G | 94.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.1 | -176 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N213 K214 L254 V262 | N213-G260 WeakPolarHBondContact OD1-CA 3.42Å; K214-G260 WeakPolarHBondContact CB-O 3.26Å; K214-G260 PolarHBondContact N-O 3.38Å; K214-G260 PolarHBondContact O-N 3.36Å; L254-G260 WeakPolarHBondContact CD1-O 3.42Å; G260-V262 PolarHBondContact O-N 3.33Å |
| 261 | V | 94 | Very high | 89.6 | Confident | 89 Ų | 89 | 56 Ų | 56 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.6 | -173.1 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | I203 A211 V212 | I203-V261 HydrophobicContact CD1-CB 4.25Å; I203-V261 HydrophobicContact CD1-CG1 3.94Å; I203-V261 HydrophobicContact CD1-CG2 3.59Å; A211-V261 HydrophobicContact CB-CG1 4.44Å; V212-V261 CarbonylContact O-C 3.56Å; V212-V261 WeakPolarHBondContact O-CA 3.43Å |
| 262 | V | 93.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.2 | 169.7 | 177.5 | 0 | 0 | 0 | 0 | 108 | A211 V212 K214 M220 L231 C250 L254 G260 | A211-V262 WeakPolarHBondContact CA-O 3.16Å; V212-V262 HydrophobicContact CG2-CB 4.06Å; V212-V262 WeakPolarHBondContact CG2-O 2.84Å; V212-V262 PolarHBondContact N-O 2.88Å; V212-V262 PolarHBondContact O-N 2.84Å; K214-V262 HydrophobicContact CB-CG2 3.88Å; K214-V262 HydrophobicContact CD-CG2 4.28Å; M220-V262 HydrophobicContact CE-CG1 3.54Å; M220-V262 HydrophobicContact CE-CG2 4.23Å; M220-V262 HydrophobicContact SD-CG1 4.46Å; M220-V262 HydrophobicContact SD-CG2 4.18Å; L231-V262 HydrophobicContact CD2-CB 4.16Å; L231-V262 HydrophobicContact CD2-CG1 4.01Å; L231-V262 HydrophobicContact CD2-CG2 4.32Å; C250-V262 HydrophobicContact CB-CG1 4.01Å; L254-V262 HydrophobicContact CB-CG2 4.43Å; L254-V262 HydrophobicContact CD1-CG2 3.71Å; L254-V262 HydrophobicContact CG-CG2 3.91Å; G260-V262 PolarHBondContact O-N 3.33Å |
| 263 | V | 93.6 | Very high | 89.7 | Confident | 37 Ų | 37 | 64 Ų | 64 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.9 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | L209 A211 C250 V251 L274 I278 | L209-V263 HydrophobicContact CD2-CG1 4.49Å; A211-V263 HydrophobicContact CB-CG2 4.34Å; C250-V263 CarbonylContact C-O 3.55Å; C250-V263 WeakPolarHBondContact CA-O 3.49Å; V251-V263 PolarHBondContact N-O 2.85Å; V263-L274 HydrophobicContact CG1-CD1 4.09Å; V263-I278 HydrophobicContact CB-CD1 4.22Å; V263-I278 HydrophobicContact CG1-CD1 4.4Å |
| 264 | C | 92.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.4 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | L209 L210 F248 R249 | L209-C264 WeakPolarHBondContact CA-O 3.18Å; L210-C264 HydrophobicContact CB-CB 4.36Å; L210-C264 PolarHBondContact N-O 2.89Å; L210-C264 WeakPolarHBondContact O-CA 3.38Å; L210-C264 PolarHBondContact O-N 3.07Å; F248-C264 WeakPolarHBondContact CE2-SG 3.45Å; R249-C264 CarbonylContact O-C 3.57Å; R249-C264 VanDerWaalsContact O-CA 3.25Å; R249-C264 WeakPolarHBondContact O-CA 3.43Å |
| 265 | A | 92.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R249 V251 N267 A270 A271 | R249-A265 HydrophobicContact CB-CB 4.27Å; R249-A265 WeakPolarHBondContact CB-O 3.36Å; R249-A265 PolarHBondContact O-N 3.49Å; V251-A265 HydrophobicContact CG2-CB 4.21Å; A265-N267 VanDerWaalsContact C-N 3.34Å; A265-A270 HydrophobicContact CB-CB 3.96Å; A265-A271 HydrophobicContact CB-CB 3.66Å |
| 266 | L | 90.2 | Very high | 88.5 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.12 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -81.5 | -15.8 | -178.6 | -59.4 | -178.3 | 0 | 0 | 0 | 112.6 | D206 D208 L210 L239 A246 | D206-L266 VanDerWaalsContact O-CD1 3.3Å; D206-L266 WeakPolarHBondContact O-CD1 3.18Å; D208-L266 WeakPolarHBondContact O-CB 3.43Å; D208-L266 PolarHBondContact O-N 3.42Å; L210-L266 HydrophobicContact CB-CD2 3.98Å; L210-L266 HydrophobicContact CB-CG 4.4Å; L239-L266 HydrophobicContact CD1-CD2 3.86Å; L239-L266 HydrophobicContact CD2-CD2 4.02Å; A246-L266 HydrophobicContact CB-CB 4.38Å; A246-L266 HydrophobicContact CB-CD2 4.27Å; A246-L266 WeakPolarHBondContact CB-O 3.41Å |
| 267 | N | 85.6 | Confident | 88.1 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -140.9 | 167.3 | 175.4 | 63.6 | 65.2 | 0 | 0 | 0 | 112.5 | L186 D208 A265 Y269 A270 A271 | L186-N267 HydrophobicContact CD1-CB 4.35Å; D208-N267 PolarHBondContact OD1-ND2 3.32Å; A265-N267 VanDerWaalsContact C-N 3.34Å; N267-Y269 VanDerWaalsContact C-N 3.31Å; N267-Y269 PolarHBondContact O-N 3.46Å; N267-Y269 WeakPolarHBondContact OD1-CB 3.24Å; N267-Y269 PolarHBondContact OD1-N 3.03Å; N267-Y269 VanDerWaalsContact OD1-N 3.1Å; N267-A270 PolarHBondContact OD1-N 3.06Å; N267-A271 WeakPolarHBondContact O-CB 3.36Å; N267-A271 PolarHBondContact O-N 3.44Å; N267-A271 VanDerWaalsContact O-N 3.11Å |
| 268 | R | 83 | Confident | 87.3 | Confident | 161 Ų | 161 | 60.3 Ų | 60.3 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.1 | -34.4 | -179 | -71 | -168.5 | -176.6 | -179.7 | 8.5 | 113.5 | E189 A271 A272 | E189-R268 IonicContact OE1-CZ 2.83Å; E189-R268 IonicContact OE1-NE 3.17Å; E189-R268 PolarHBondContact OE1-NE 2.93Å; E189-R268 IonicContact OE1-NH2 3.96Å; E189-R268 PolarHBondContact OE1-NH2 2.68Å; R268-A271 PolarHBondContact O-N 2.86Å; R268-A272 WeakPolarHBondContact O-CB 3.38Å; R268-A272 PolarHBondContact O-N 3.25Å |
| 269 | Y | 84.5 | Confident | 86.4 | Confident | 135 Ų | 135 | 66 Ų | 66 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.3 | -50.3 | -177.6 | 176.2 | -101.9 | 0 | 0 | 0 | 110.5 | N267 A271 A272 R273 | N267-Y269 VanDerWaalsContact C-N 3.31Å; N267-Y269 PolarHBondContact O-N 3.46Å; N267-Y269 WeakPolarHBondContact OD1-CB 3.24Å; N267-Y269 PolarHBondContact OD1-N 3.03Å; N267-Y269 VanDerWaalsContact OD1-N 3.1Å; Y269-A271 VanDerWaalsContact C-N 3.31Å; Y269-A271 PolarHBondContact O-N 3.05Å; Y269-A272 PolarHBondContact O-N 3.13Å; Y269-R273 HydrophobicContact CD1-CG 4.38Å; Y269-R273 HydrophobicContact CD2-CG 4.46Å; Y269-R273 HydrophobicContact CE1-CG 3.95Å; Y269-R273 HydrophobicContact CE2-CG 4.07Å; Y269-R273 WeakPolarHBondContact O-CB 3.28Å; Y269-R273 WeakPolarHBondContact O-CG 3.45Å; Y269-R273 PolarHBondContact O-N 2.81Å; Y269-R273 PolarHBondContact OH-NE 3.17Å; Y269-R273 PolarHBondContact OH-NH2 2.9Å |
| 270 | A | 87.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.1 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D208 L209 A265 N267 A272 R273 L274 | D208-A270 HydrophobicContact CB-CB 4.12Å; L209-A270 HydrophobicContact CD2-CB 4.03Å; A265-A270 HydrophobicContact CB-CB 3.96Å; N267-A270 PolarHBondContact OD1-N 3.06Å; A270-A272 PolarHBondContact O-N 2.81Å; A270-R273 PolarHBondContact O-N 2.75Å; A270-L274 WeakPolarHBondContact O-CB 3.36Å; A270-L274 WeakPolarHBondContact O-CG 3.31Å; A270-L274 PolarHBondContact O-N 3.17Å |
| 271 | A | 88.1 | Confident | 84.6 | Confident | 21 Ų | 21 | 76 Ų | 76 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R249 A265 N267 R268 Y269 S275 | R249-A271 HydrophobicContact CB-CB 4.44Å; A265-A271 HydrophobicContact CB-CB 3.66Å; N267-A271 WeakPolarHBondContact O-CB 3.36Å; N267-A271 PolarHBondContact O-N 3.44Å; N267-A271 VanDerWaalsContact O-N 3.11Å; R268-A271 PolarHBondContact O-N 2.86Å; Y269-A271 VanDerWaalsContact C-N 3.31Å; Y269-A271 PolarHBondContact O-N 3.05Å; A271-S275 VanDerWaalsContact O-CB 3.3Å; A271-S275 WeakPolarHBondContact O-CB 3.47Å; A271-S275 PolarHBondContact O-N 2.97Å |
| 272 | A | 85.3 | Confident | 84.1 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 60% | 0.603 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.6 | -38.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R268 Y269 A270 | R268-A272 WeakPolarHBondContact O-CB 3.38Å; R268-A272 PolarHBondContact O-N 3.25Å; Y269-A272 PolarHBondContact O-N 3.13Å; A270-A272 PolarHBondContact O-N 2.81Å |
| 273 | R | 85.7 | Confident | 83.6 | Confident | 157 Ų | 157 | 79.2 Ų | 79.2 | 59% | 0.592 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.7 | -38.9 | 178.4 | -75.4 | -68.9 | -126.6 | 139 | 3.7 | 112.9 | Y269 A270 N277 | Y269-R273 HydrophobicContact CD1-CG 4.38Å; Y269-R273 HydrophobicContact CD2-CG 4.46Å; Y269-R273 HydrophobicContact CE1-CG 3.95Å; Y269-R273 HydrophobicContact CE2-CG 4.07Å; Y269-R273 WeakPolarHBondContact O-CB 3.28Å; Y269-R273 WeakPolarHBondContact O-CG 3.45Å; Y269-R273 PolarHBondContact O-N 2.81Å; Y269-R273 PolarHBondContact OH-NE 3.17Å; Y269-R273 PolarHBondContact OH-NH2 2.9Å; A270-R273 PolarHBondContact O-N 2.75Å; R273-N277 PolarHBondContact O-ND2 2.85Å |
| 274 | L | 86.3 | Confident | 83 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 20% | 0.204 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -83.7 | -26.4 | -178.1 | -69.6 | -179.9 | 0 | 0 | 0 | 113.3 | L209 V251 V263 A270 G276 N277 I278 | L209-L274 HydrophobicContact CD1-CD1 4.25Å; L209-L274 HydrophobicContact CD2-CD1 3.22Å; L209-L274 HydrophobicContact CD2-CG 4.35Å; L209-L274 HydrophobicContact CG-CD1 4.39Å; V251-L274 HydrophobicContact CB-CB 4.34Å; V251-L274 HydrophobicContact CG1-CB 3.81Å; V251-L274 HydrophobicContact CG2-CB 3.87Å; V251-L274 HydrophobicContact CG2-CD1 3.89Å; V263-L274 HydrophobicContact CG1-CD1 4.09Å; A270-L274 WeakPolarHBondContact O-CB 3.36Å; A270-L274 WeakPolarHBondContact O-CG 3.31Å; A270-L274 PolarHBondContact O-N 3.17Å; L274-G276 PolarHBondContact O-N 3.05Å; L274-N277 PolarHBondContact O-N 2.97Å; L274-I278 HydrophobicContact CB-CD1 4.21Å; L274-I278 HydrophobicContact CB-CG1 4.25Å; L274-I278 HydrophobicContact CD1-CD1 4.36Å; L274-I278 HydrophobicContact CD2-CD1 4.4Å; L274-I278 HydrophobicContact CD2-CG1 4.25Å |
| 275 | S | 81.1 | Confident | 82.4 | Confident | 87 Ų | 87 | 86.7 Ų | 86.7 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 115.1 | 176.8 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | A271 N277 | A271-S275 VanDerWaalsContact O-CB 3.3Å; A271-S275 WeakPolarHBondContact O-CB 3.47Å; A271-S275 PolarHBondContact O-N 2.97Å; S275-N277 VanDerWaalsContact C-N 3.33Å; S275-N277 PolarHBondContact O-N 3.14Å |
| 276 | G | 76.9 | Confident | 81.8 | Confident | 77 Ų | 77 | 92.4 Ų | 92.4 | 79% | 0.794 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | L274 | L274-G276 PolarHBondContact O-N 3.05Š|
| 277 | N | 78.4 | Confident | 81.1 | Confident | 112 Ų | 112 | 97.4 Ų | 97.4 | 60% | 0.599 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 11.5 | -177.6 | -65.1 | -51.5 | 0 | 0 | 0 | 113.5 | R273 L274 S275 | R273-N277 PolarHBondContact O-ND2 2.85Å; L274-N277 PolarHBondContact O-N 2.97Å; S275-N277 VanDerWaalsContact C-N 3.33Å; S275-N277 PolarHBondContact O-N 3.14Å |
| 278 | I | 74.5 | Confident | 80.8 | Confident | 64 Ų | 64 | 102.9 Ų | 102.9 | 33% | 0.328 | 53% | 0.532 | S | S | . | . | trans | -97.6 | 119.2 | 172.2 | -61.6 | -167 | 0 | 0 | 0 | 109.3 | V251 V263 L274 | V251-I278 HydrophobicContact CB-CD1 3.52Å; V251-I278 HydrophobicContact CG1-CD1 3.28Å; V251-I278 HydrophobicContact CG1-CG1 3.86Å; V251-I278 HydrophobicContact CG2-CD1 4.41Å; V263-I278 HydrophobicContact CB-CD1 4.22Å; V263-I278 HydrophobicContact CG1-CD1 4.4Å; L274-I278 HydrophobicContact CB-CD1 4.21Å; L274-I278 HydrophobicContact CB-CG1 4.25Å; L274-I278 HydrophobicContact CD1-CD1 4.36Å; L274-I278 HydrophobicContact CD2-CD1 4.4Å; L274-I278 HydrophobicContact CD2-CG1 4.25Å | ||
| 279 | H | 74.4 | Confident | 80.6 | Confident | 179 Ų | 179 | 98.1 Ų | 98.1 | 83% | 0.829 | 53% | 0.525 | S | S | * | . | trans | -89.6 | 123.6 | 168.7 | -58.2 | -69.6 | 0 | 0 | 0 | 108.8 | ||||
| 280 | K | 64.5 | Low | 80.3 | Confident | 225 Ų | 225 | 94.7 Ų | 94.7 | 98% | 0.978 | 53% | 0.525 | S | S | * | . | trans | -87.4 | 0 | 175.4 | -69.3 | -175.5 | 175.3 | -172.5 | 0 | 110.8 |
Retrieved 280 of 280 residues in 59.5 ms
(Link to these results)