| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.1 | Very low | 68.4 | Low | 225 Ų | 225 | 109.7 Ų | 109.7 | 100% | 1.108 | 55% | 0.549 | S | S | * | . | 0 | 125.3 | 0 | -68.6 | -178.4 | 176.9 | 0 | 0 | 107.4 | H3 | M1-H3 PolarHBondContact O-N 3.24Š| |||
| 2 | P | 40.3 | Very low | 70.1 | Confident | 101 Ų | 101 | 100.6 Ų | 100.6 | 66% | 0.656 | 50% | 0.503 | S | S | * | . | trans | -61.6 | 129.5 | 171.8 | 25.5 | -30 | 0 | 0 | 0 | 108.2 | S4 | P2-S4 PolarHBondContact O-N 3.11Š| ||
| 3 | H | 46.2 | Very low | 71.7 | Confident | 189 Ų | 189 | 100 Ų | 100 | 88% | 0.875 | 50% | 0.502 | S | S | * | . | trans | -55.9 | 107.5 | 179.4 | -77.5 | -81.1 | 0 | 0 | 0 | 109.5 | M1 K5 | M1-H3 PolarHBondContact O-N 3.24Å; H3-K5 PolarHBondContact O-N 3.49Å; H3-K5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | S | 58.7 | Low | 73.2 | Confident | 49 Ų | 49 | 95 Ų | 95 | 34% | 0.343 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 117.9 | 167.9 | 171.8 | 0 | 0 | 0 | 0 | 107.6 | P2 Q6 Q258 | P2-S4 PolarHBondContact O-N 3.11Å; S4-Q6 PolarHBondContact O-N 2.82Å; S4-Q6 VanDerWaalsContact O-N 3.14Å; S4-Q258 PolarHBondContact OG-OE1 2.62Å |
| 5 | K | 66.3 | Low | 74.3 | Confident | 183 Ų | 183 | 89.1 Ų | 89.1 | 80% | 0.796 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 116.5 | 177.3 | -168.1 | 176.6 | -177.9 | 179.9 | 0 | 107.6 | H3 | H3-K5 PolarHBondContact O-N 3.49Å; H3-K5 VanDerWaalsContact O-N 3.16Å |
| 6 | Q | 75.8 | Confident | 75.4 | Confident | 67 Ų | 67 | 85.8 Ų | 85.8 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 130.5 | -178.6 | -169.3 | -175.6 | -2.3 | 0 | 0 | 109.7 | S4 F260 Q262 | S4-Q6 PolarHBondContact O-N 2.82Å; S4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-F260 PolarHBondContact NE2-O 3.31Å; Q6-Q262 HydrophobicContact CB-CG 4.48Å; Q6-Q262 HydrophobicContact CG-CG 4.46Å |
| 7 | P | 80.8 | Confident | 76.3 | Confident | 10 Ų | 10 | 82.6 Ų | 82.6 | 7% | 0.065 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -64 | 143.9 | 175.1 | 22.2 | -29.3 | 0 | 0 | 0 | 110.6 | Q11 S12 L15 Y81 L268 | P7-Q11 HydrophobicContact CB-CB 3.83Å; P7-S12 WeakPolarHBondContact CG-OG 3.45Å; P7-L15 HydrophobicContact CB-CD1 4.46Å; P7-Y81 HydrophobicContact CB-CD2 4.31Å; P7-Y81 HydrophobicContact CB-CE2 3.72Å; P7-Y81 HydrophobicContact CG-CE2 4.05Å; P7-L268 HydrophobicContact CG-CD1 4.16Å |
| 8 | S | 85.8 | Confident | 76.9 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 158.7 | 165.5 | 72.7 | 0 | 0 | 0 | 0 | 110.4 | F10 Q11 S12 | S8-F10 PolarHBondContact O-N 2.62Å; S8-F10 VanDerWaalsContact O-N 3.12Å; S8-Q11 VanDerWaalsContact N-OE1 3.08Å; S8-Q11 PolarHBondContact O-N 2.87Å; S8-Q11 WeakPolarHBondContact OG-CG 3.41Å; S8-Q11 PolarHBondContact OG-N 3.47Å; S8-Q11 VanDerWaalsContact OG-N 3.16Å; S8-S12 PolarHBondContact O-N 3.39Å; S8-S12 PolarHBondContact O-OG 3.05Å |
| 9 | H | 86.3 | Confident | 77.5 | Confident | 153 Ų | 153 | 77.9 Ų | 77.9 | 71% | 0.708 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -53.2 | -36.9 | 175.5 | -69.6 | -68.1 | 0 | 0 | 0 | 112.7 | S12 L13 | H9-S12 PolarHBondContact O-N 3.09Å; H9-L13 PolarHBondContact O-N 3.11Å |
| 10 | F | 88.2 | Confident | 78.2 | Confident | 109 Ų | 109 | 77.8 Ų | 77.8 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 175.1 | -179.5 | -102.3 | 0 | 0 | 0 | 112 | S8 S12 L13 M14 H77 | S8-F10 PolarHBondContact O-N 2.62Å; S8-F10 VanDerWaalsContact O-N 3.12Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.3Å; F10-L13 WeakPolarHBondContact O-CB 3.47Å; F10-L13 PolarHBondContact O-N 3.26Å; F10-M14 HydrophobicContact CD1-CG 4.39Å; F10-M14 HydrophobicContact CD2-CE 4.37Å; F10-M14 HydrophobicContact CE1-CG 4.04Å; F10-M14 HydrophobicContact CE2-CE 3.89Å; F10-M14 HydrophobicContact CE2-SD 4.41Å; F10-M14 HydrophobicContact CZ-CE 4.17Å; F10-M14 HydrophobicContact CZ-CG 4.15Å; F10-M14 HydrophobicContact CZ-SD 4.08Å; F10-M14 WeakPolarHBondContact O-CG 3.38Å; F10-M14 PolarHBondContact O-N 2.78Å; F10-H77 AromaticContact CE1-CD2 3.9Å; F10-H77 AromaticContact CE1-CE1 3.74Å; F10-H77 AromaticContact CE1-NE2 3.54Å; F10-H77 AromaticContact CZ-NE2 3.89Å |
| 11 | Q | 87.9 | Confident | 78.9 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 175.8 | -74 | 176.2 | -51.9 | 0 | 0 | 111.8 | P7 S8 L13 M14 L15 | P7-Q11 HydrophobicContact CB-CB 3.83Å; S8-Q11 VanDerWaalsContact N-OE1 3.08Å; S8-Q11 PolarHBondContact O-N 2.87Å; S8-Q11 WeakPolarHBondContact OG-CG 3.41Å; S8-Q11 PolarHBondContact OG-N 3.47Å; S8-Q11 VanDerWaalsContact OG-N 3.16Å; Q11-L13 VanDerWaalsContact C-N 3.32Å; Q11-L13 PolarHBondContact O-N 3.03Å; Q11-M14 WeakPolarHBondContact O-CB 3.19Å; Q11-M14 PolarHBondContact O-N 3.34Å; Q11-M14 VanDerWaalsContact O-N 3.13Å; Q11-L15 WeakPolarHBondContact O-CG 3.48Å; Q11-L15 PolarHBondContact O-N 3.03Å |
| 12 | S | 88.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | P7 S8 H9 F10 M14 L15 L16 L268 | P7-S12 WeakPolarHBondContact CG-OG 3.45Å; S8-S12 PolarHBondContact O-N 3.39Å; S8-S12 PolarHBondContact O-OG 3.05Å; H9-S12 PolarHBondContact O-N 3.09Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.3Å; S12-M14 VanDerWaalsContact C-N 3.33Å; S12-M14 PolarHBondContact O-N 3.08Å; S12-L15 PolarHBondContact O-N 2.86Å; S12-L16 WeakPolarHBondContact O-CB 3.16Å; S12-L16 VanDerWaalsContact O-CG 3.27Å; S12-L16 WeakPolarHBondContact O-CG 3.33Å; S12-L16 PolarHBondContact O-N 3.01Å; S12-L268 WeakPolarHBondContact OG-CD1 3.34Å |
| 13 | L | 90.3 | Very high | 84.1 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.6 | -177.1 | 66.3 | 0 | 0 | 0 | 111.7 | H9 F10 Q11 L16 Q17 L20 | H9-L13 PolarHBondContact O-N 3.11Å; F10-L13 WeakPolarHBondContact O-CB 3.47Å; F10-L13 PolarHBondContact O-N 3.26Å; Q11-L13 VanDerWaalsContact C-N 3.32Å; Q11-L13 PolarHBondContact O-N 3.03Å; L13-L16 CarbonylContact O-C 3.42Å; L13-L16 PolarHBondContact O-N 2.77Å; L13-Q17 PolarHBondContact O-N 3.46Å; L13-L20 HydrophobicContact CD1-CD1 3.69Å |
| 14 | M | 92.5 | Very high | 86.4 | Confident | 30 Ų | 30 | 60 Ų | 60 | 15% | 0.148 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.2 | -65.7 | -53.8 | 100.3 | 0 | 0 | 111.6 | F10 Q11 S12 L16 Q17 V74 H77 | F10-M14 HydrophobicContact CD1-CG 4.39Å; F10-M14 HydrophobicContact CD2-CE 4.37Å; F10-M14 HydrophobicContact CE1-CG 4.04Å; F10-M14 HydrophobicContact CE2-CE 3.89Å; F10-M14 HydrophobicContact CE2-SD 4.41Å; F10-M14 HydrophobicContact CZ-CE 4.17Å; F10-M14 HydrophobicContact CZ-CG 4.15Å; F10-M14 HydrophobicContact CZ-SD 4.08Å; F10-M14 WeakPolarHBondContact O-CG 3.38Å; F10-M14 PolarHBondContact O-N 2.78Å; Q11-M14 WeakPolarHBondContact O-CB 3.19Å; Q11-M14 PolarHBondContact O-N 3.34Å; Q11-M14 VanDerWaalsContact O-N 3.13Å; S12-M14 VanDerWaalsContact C-N 3.33Å; S12-M14 PolarHBondContact O-N 3.08Å; M14-L16 VanDerWaalsContact C-N 3.31Å; M14-L16 PolarHBondContact O-N 2.86Å; M14-Q17 WeakPolarHBondContact O-CB 3.39Å; M14-Q17 PolarHBondContact O-N 3.02Å; M14-Q17 VanDerWaalsContact O-N 3.16Å; M14-V74 HydrophobicContact CB-CG2 3.93Å; M14-V74 HydrophobicContact CG-CG2 4.28Å; M14-V74 HydrophobicContact SD-CB 3.84Å; M14-V74 HydrophobicContact SD-CG2 3.59Å; M14-V74 VanDerWaalsContact SD-CG2 3.59Å; M14-H77 HydrophobicContact CB-CB 4Å; M14-H77 HydrophobicContact CG-CB 3.91Å |
| 15 | L | 90.9 | Very high | 88.2 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 175.8 | -67.3 | 166.5 | 0 | 0 | 0 | 112.3 | P7 Q11 S12 Q17 I78 Y81 F82 P269 | P7-L15 HydrophobicContact CB-CD1 4.46Å; Q11-L15 WeakPolarHBondContact O-CG 3.48Å; Q11-L15 PolarHBondContact O-N 3.03Å; S12-L15 PolarHBondContact O-N 2.86Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3.32Å; L15-I78 HydrophobicContact CD2-CG1 4.29Å; L15-Y81 HydrophobicContact CD1-CD1 3.74Å; L15-Y81 HydrophobicContact CD1-CD2 3.83Å; L15-Y81 HydrophobicContact CD1-CE1 3.58Å; L15-Y81 HydrophobicContact CD1-CE2 3.68Å; L15-Y81 HydrophobicContact CD1-CG 3.82Å; L15-Y81 HydrophobicContact CD2-CD1 3.4Å; L15-Y81 HydrophobicContact CD2-CE1 3.89Å; L15-Y81 HydrophobicContact CD2-CG 3.77Å; L15-Y81 HydrophobicContact CG-CD1 4.16Å; L15-Y81 HydrophobicContact CG-CE1 4.39Å; L15-Y81 HydrophobicContact CG-CG 4.24Å; L15-F82 HydrophobicContact CD2-CD2 4.37Å; L15-F82 HydrophobicContact CD2-CE2 3.69Å; L15-F82 HydrophobicContact CD2-CZ 4.18Å; L15-P269 HydrophobicContact CD1-CG 4.21Å; L15-P269 HydrophobicContact CD2-CG 4.17Å |
| 16 | L | 90.6 | Very high | 89.5 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 0.8 | 177.2 | -66.9 | 174.5 | 0 | 0 | 0 | 113.2 | S12 L13 M14 W18 P19 L20 F260 L268 | S12-L16 WeakPolarHBondContact O-CB 3.16Å; S12-L16 VanDerWaalsContact O-CG 3.27Å; S12-L16 WeakPolarHBondContact O-CG 3.33Å; S12-L16 PolarHBondContact O-N 3.01Å; L13-L16 CarbonylContact O-C 3.42Å; L13-L16 PolarHBondContact O-N 2.77Å; M14-L16 VanDerWaalsContact C-N 3.31Å; M14-L16 PolarHBondContact O-N 2.86Å; L16-W18 PolarHBondContact O-N 2.94Å; L16-P19 HydrophobicContact CB-CG 4.28Å; L16-P19 HydrophobicContact CD2-CG 3.91Å; L16-P19 WeakPolarHBondContact O-CD 3.3Å; L16-P19 VanDerWaalsContact O-CG 3.27Å; L16-P19 WeakPolarHBondContact O-CG 3.41Å; L16-L20 HydrophobicContact CB-CD1 3.71Å; L16-L20 HydrophobicContact CB-CG 4.01Å; L16-L20 WeakPolarHBondContact O-CB 3.24Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.37Å; L16-F260 HydrophobicContact CD1-CZ 3.98Å; L16-L268 HydrophobicContact CD1-CD2 3.86Å; L16-L268 HydrophobicContact CD2-CD2 3.98Å; L16-L268 HydrophobicContact CG-CD2 3.69Å |
| 17 | Q | 91.8 | Very high | 90.5 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 15% | 0.15 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.1 | -41.2 | -176.7 | -174.9 | -82.1 | -16.7 | 0 | 0 | 111.9 | L13 M14 L15 S21 V74 Y149 | L13-Q17 PolarHBondContact O-N 3.46Å; M14-Q17 WeakPolarHBondContact O-CB 3.39Å; M14-Q17 PolarHBondContact O-N 3.02Å; M14-Q17 VanDerWaalsContact O-N 3.16Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3.32Å; Q17-S21 PolarHBondContact NE2-OG 3.31Å; Q17-S21 VanDerWaalsContact O-CB 3.24Å; Q17-S21 WeakPolarHBondContact O-CB 3.36Å; Q17-S21 PolarHBondContact O-N 2.6Å; Q17-S21 PolarHBondContact O-OG 3.02Å; Q17-V74 HydrophobicContact CB-CG2 3.8Å; Q17-V74 HydrophobicContact CG-CG2 3.95Å; Q17-Y149 PolarHBondContact NE2-OH 3.07Å; Q17-Y149 PolarHBondContact OE1-OH 3.4Å |
| 18 | W | 86.3 | Confident | 91.3 | Very high | 25 Ų | 25 | 64 Ų | 64 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -61.2 | 176.2 | -84.8 | -8.5 | 0 | 0 | 0 | 114.3 | L16 L20 S21 Y22 W75 L108 F110 F113 | L16-W18 PolarHBondContact O-N 2.94Å; W18-L20 VanDerWaalsContact C-N 3.26Å; W18-L20 PolarHBondContact O-N 3.25Å; W18-S21 PolarHBondContact O-N 2.91Å; W18-S21 VanDerWaalsContact O-N 3.13Å; W18-Y22 WeakPolarHBondContact O-CD2 3.45Å; W18-Y22 PolarHBondContact O-N 3.48Å; W18-W75 AromaticContact CD1-CZ3 3.93Å; W18-W75 AromaticContact NE1-CH2 3.78Å; W18-W75 AromaticContact NE1-CZ3 3.64Å; W18-L108 HydrophobicContact CZ3-CB 4.32Å; W18-L108 WeakPolarHBondContact CZ3-O 3.25Å; W18-F110 HydrophobicContact CE3-CD1 4.11Å; W18-F110 AromaticContact CE3-CE1 3.71Å; W18-F110 HydrophobicContact CE3-CE1 3.71Å; W18-F110 HydrophobicContact CE3-CZ 4.46Å; W18-F110 HydrophobicContact CH2-CD1 4.47Å; W18-F110 AromaticContact CZ3-CD1 3.65Å; W18-F110 HydrophobicContact CZ3-CD1 3.65Å; W18-F110 AromaticContact CZ3-CE1 3.71Å; W18-F110 HydrophobicContact CZ3-CE1 3.71Å; W18-F110 HydrophobicContact CZ3-CG 4.4Å; W18-F113 AromaticContact CE2-CD1 3.74Å; W18-F113 AromaticContact CE2-CE1 3.56Å; W18-F113 AromaticContact CE2-CZ 3.73Å; W18-F113 HydrophobicContact CH2-CB 3.36Å; W18-F113 AromaticContact CH2-CD1 3.42Å; W18-F113 HydrophobicContact CH2-CD1 3.42Å; W18-F113 VanDerWaalsContact CH2-CD1 3.42Å; W18-F113 AromaticContact CH2-CD2 3.95Å; W18-F113 HydrophobicContact CH2-CD2 3.95Å; W18-F113 HydrophobicContact CH2-CE1 4.13Å; W18-F113 AromaticContact CH2-CG 3.29Å; W18-F113 HydrophobicContact CH2-CG 3.29Å; W18-F113 HydrophobicContact CZ2-CB 3.62Å; W18-F113 AromaticContact CZ2-CD1 3.01Å; W18-F113 HydrophobicContact CZ2-CD1 3.01Å; W18-F113 AromaticContact CZ2-CD2 3.25Å; W18-F113 HydrophobicContact CZ2-CD2 3.25Å; W18-F113 AromaticContact CZ2-CE1 3.29Å; W18-F113 HydrophobicContact CZ2-CE1 3.29Å; W18-F113 AromaticContact CZ2-CE2 3.52Å; W18-F113 HydrophobicContact CZ2-CE2 3.52Å; W18-F113 AromaticContact CZ2-CG 2.97Å; W18-F113 HydrophobicContact CZ2-CG 2.97Å; W18-F113 AromaticContact CZ2-CZ 3.54Å; W18-F113 HydrophobicContact CZ2-CZ 3.54Å; W18-F113 HydrophobicContact CZ3-CD1 4.46Å; W18-F113 AromaticContact NE1-CE1 3.59Å; W18-F113 AromaticContact NE1-CZ 3.45Å |
| 19 | P | 88.8 | Confident | 91.8 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 179.8 | 21.4 | -32 | 0 | 0 | 0 | 111.2 | L16 S21 Y22 L23 | L16-P19 HydrophobicContact CB-CG 4.28Å; L16-P19 HydrophobicContact CD2-CG 3.91Å; L16-P19 WeakPolarHBondContact O-CD 3.3Å; L16-P19 VanDerWaalsContact O-CG 3.27Å; L16-P19 WeakPolarHBondContact O-CG 3.41Å; P19-S21 PolarHBondContact O-N 3.3Å; P19-Y22 PolarHBondContact O-N 3.28Å; P19-L23 WeakPolarHBondContact O-CB 3.46Å; P19-L23 VanDerWaalsContact O-CG 3.25Å; P19-L23 WeakPolarHBondContact O-CG 3.43Å; P19-L23 PolarHBondContact O-N 2.95Å |
| 20 | L | 92.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 176.4 | -67.1 | 172.9 | 0 | 0 | 0 | 112.5 | L13 L16 W18 L23 A24 | L13-L20 HydrophobicContact CD1-CD1 3.69Å; L16-L20 HydrophobicContact CB-CD1 3.71Å; L16-L20 HydrophobicContact CB-CG 4.01Å; L16-L20 WeakPolarHBondContact O-CB 3.24Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.37Å; W18-L20 VanDerWaalsContact C-N 3.26Å; W18-L20 PolarHBondContact O-N 3.25Å; L20-L23 PolarHBondContact O-N 3.28Å; L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.25Å |
| 21 | S | 92.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.7 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | Q17 W18 P19 A24 I25 | Q17-S21 PolarHBondContact NE2-OG 3.31Å; Q17-S21 VanDerWaalsContact O-CB 3.24Å; Q17-S21 WeakPolarHBondContact O-CB 3.36Å; Q17-S21 PolarHBondContact O-N 2.6Å; Q17-S21 PolarHBondContact O-OG 3.02Å; W18-S21 PolarHBondContact O-N 2.91Å; W18-S21 VanDerWaalsContact O-N 3.13Å; P19-S21 PolarHBondContact O-N 3.3Å; S21-A24 PolarHBondContact O-N 3.19Å; S21-I25 VanDerWaalsContact O-CG1 3.26Å; S21-I25 WeakPolarHBondContact O-CG1 3.27Å; S21-I25 PolarHBondContact O-N 3.44Å |
| 22 | Y | 91.9 | Very high | 93 | Very high | 69 Ų | 69 | 58 Ų | 58 | 27% | 0.271 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 176 | -68.6 | -60.6 | 0 | 0 | 0 | 111.4 | W18 P19 A24 I25 F26 V146 Y149 L150 | W18-Y22 WeakPolarHBondContact O-CD2 3.45Å; W18-Y22 PolarHBondContact O-N 3.48Å; P19-Y22 PolarHBondContact O-N 3.28Å; Y22-A24 VanDerWaalsContact C-N 3.33Å; Y22-A24 PolarHBondContact O-N 3.44Å; Y22-I25 HydrophobicContact CD1-CD1 4.5Å; Y22-I25 PolarHBondContact O-N 3.06Å; Y22-F26 WeakPolarHBondContact O-CD2 3.3Å; Y22-F26 PolarHBondContact O-N 3.29Å; Y22-V146 HydrophobicContact CD1-CG2 4.45Å; Y22-V146 HydrophobicContact CE1-CG1 4.17Å; Y22-Y149 HydrophobicContact CE1-CD1 4.2Å; Y22-L150 WeakPolarHBondContact OH-CD2 3.49Å |
| 23 | L | 93.2 | Very high | 93.4 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 174.4 | -71.8 | 172.6 | 0 | 0 | 0 | 111.5 | P19 L20 I25 F26 W27 | P19-L23 WeakPolarHBondContact O-CB 3.46Å; P19-L23 VanDerWaalsContact O-CG 3.25Å; P19-L23 WeakPolarHBondContact O-CG 3.43Å; P19-L23 PolarHBondContact O-N 2.95Å; L20-L23 PolarHBondContact O-N 3.28Å; L23-I25 VanDerWaalsContact C-N 3.35Å; L23-I25 PolarHBondContact O-N 3.01Å; L23-F26 PolarHBondContact O-N 3.46Å; L23-W27 VanDerWaalsContact O-CB 3.27Å; L23-W27 WeakPolarHBondContact O-CB 3.41Å; L23-W27 VanDerWaalsContact O-CD1 3.28Å; L23-W27 PolarHBondContact O-N 2.92Å |
| 24 | A | 95.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L20 S21 Y22 I28 L29 | L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.25Å; S21-A24 PolarHBondContact O-N 3.19Å; Y22-A24 VanDerWaalsContact C-N 3.33Å; Y22-A24 PolarHBondContact O-N 3.44Å; A24-I28 HydrophobicContact CB-CD1 4.38Å; A24-I28 WeakPolarHBondContact O-CA 3.29Å; A24-I28 VanDerWaalsContact O-CB 3.24Å; A24-I28 WeakPolarHBondContact O-CB 3.13Å; A24-I28 PolarHBondContact O-N 3.45Å; A24-L29 PolarHBondContact O-N 3.43Å |
| 25 | I | 95.5 | Very high | 93.9 | Very high | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -61.3 | -50.8 | 176.3 | -70.6 | 162.2 | 0 | 0 | 0 | 111 | S21 Y22 L23 L29 Q30 F145 V146 Y149 | S21-I25 VanDerWaalsContact O-CG1 3.26Å; S21-I25 WeakPolarHBondContact O-CG1 3.27Å; S21-I25 PolarHBondContact O-N 3.44Å; Y22-I25 HydrophobicContact CD1-CD1 4.5Å; Y22-I25 PolarHBondContact O-N 3.06Å; L23-I25 VanDerWaalsContact C-N 3.35Å; L23-I25 PolarHBondContact O-N 3.01Å; I25-L29 HydrophobicContact CG1-CD1 3.99Å; I25-L29 PolarHBondContact O-N 2.89Å; I25-Q30 HydrophobicContact CG2-CG 4.4Å; I25-Q30 WeakPolarHBondContact O-CB 3.42Å; I25-Q30 WeakPolarHBondContact O-CG 3.27Å; I25-Q30 PolarHBondContact O-N 3.21Å; I25-F145 HydrophobicContact CG1-CB 4.26Å; I25-F145 HydrophobicContact CG2-CB 3.88Å; I25-V146 HydrophobicContact CD1-CG2 4.44Å; I25-V146 HydrophobicContact CG2-CG2 3.75Å; I25-Y149 HydrophobicContact CD1-CD1 4.39Å |
| 26 | F | 94.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 36% | 0.36 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -75.6 | -36.1 | -174.2 | -75.6 | -67.1 | 0 | 0 | 0 | 113.9 | Y22 L23 P31 I143 V146 | Y22-F26 WeakPolarHBondContact O-CD2 3.3Å; Y22-F26 PolarHBondContact O-N 3.29Å; L23-F26 PolarHBondContact O-N 3.46Å; F26-P31 VanDerWaalsContact O-CD 3.24Å; F26-P31 WeakPolarHBondContact O-CD 3.32Å; F26-I143 HydrophobicContact CE1-CD1 4.23Å; F26-I143 HydrophobicContact CE1-CG2 3.95Å; F26-I143 HydrophobicContact CZ-CD1 4.06Å; F26-I143 HydrophobicContact CZ-CG2 4.26Å; F26-V146 HydrophobicContact CE2-CG2 4.24Å; F26-V146 HydrophobicContact CZ-CG2 3.96Å |
| 27 | W | 96.1 | Very high | 94.6 | Very high | 194 Ų | 194 | 67.6 Ų | 67.6 | 74% | 0.735 | 33% | 0.332 | S | S | * | . | I | π-helix | trans | -102 | -16.3 | -172.6 | -63.1 | 110.8 | 0 | 0 | 0 | 114.3 | L23 | L23-W27 VanDerWaalsContact O-CB 3.27Å; L23-W27 WeakPolarHBondContact O-CB 3.41Å; L23-W27 VanDerWaalsContact O-CD1 3.28Å; L23-W27 PolarHBondContact O-N 2.92Å |
| 28 | I | 96.4 | Very high | 94.9 | Very high | 106 Ų | 106 | 74.3 Ų | 74.3 | 54% | 0.544 | 36% | 0.361 | S | S | . | . | I | π-helix | trans | -118.6 | -61.8 | -179.3 | -52.1 | 175.7 | 0 | 0 | 0 | 109.8 | A24 L32 | A24-I28 HydrophobicContact CB-CD1 4.38Å; A24-I28 WeakPolarHBondContact O-CA 3.29Å; A24-I28 VanDerWaalsContact O-CB 3.24Å; A24-I28 WeakPolarHBondContact O-CB 3.13Å; A24-I28 PolarHBondContact O-N 3.45Å; I28-L32 WeakPolarHBondContact O-CB 3.44Å; I28-L32 PolarHBondContact O-N 3.29Å |
| 29 | L | 96.5 | Very high | 95.4 | Very high | 74 Ų | 74 | 74.8 Ų | 74.8 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | I | π-helix | trans | -68.5 | -43.7 | -170.7 | -60.1 | -179.4 | 0 | 0 | 0 | 112.7 | A24 I25 F33 F145 | A24-L29 PolarHBondContact O-N 3.43Å; I25-L29 HydrophobicContact CG1-CD1 3.99Å; I25-L29 PolarHBondContact O-N 2.89Å; L29-F33 WeakPolarHBondContact O-CB 3.49Å; L29-F33 PolarHBondContact O-N 3.18Å; L29-F145 HydrophobicContact CB-CD2 4.25Å; L29-F145 HydrophobicContact CB-CE2 4.4Å |
| 30 | Q | 95.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 77.7 Ų | 77.7 | 19% | 0.192 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.7 | -48.5 | 179.4 | -76.4 | 178 | 15 | 0 | 0 | 113.2 | I25 L32 F33 I34 F145 | I25-Q30 HydrophobicContact CG2-CG 4.4Å; I25-Q30 WeakPolarHBondContact O-CB 3.42Å; I25-Q30 WeakPolarHBondContact O-CG 3.27Å; I25-Q30 PolarHBondContact O-N 3.21Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.03Å; Q30-F33 WeakPolarHBondContact O-CB 3.32Å; Q30-F33 PolarHBondContact O-N 3.27Å; Q30-I34 WeakPolarHBondContact O-CG1 3.43Å; Q30-I34 PolarHBondContact O-N 3.36Å; Q30-F145 HydrophobicContact CG-CD2 4.26Å |
| 31 | P | 97.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 78.4 Ų | 78.4 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175 | -26.7 | 37.1 | 0 | 0 | 0 | 112.3 | F26 I34 Y35 | F26-P31 VanDerWaalsContact O-CD 3.24Å; F26-P31 WeakPolarHBondContact O-CD 3.32Å; P31-I34 PolarHBondContact O-N 2.9Å; P31-Y35 VanDerWaalsContact O-CB 3.28Å; P31-Y35 WeakPolarHBondContact O-CB 3.46Å; P31-Y35 PolarHBondContact O-N 2.86Å |
| 32 | L | 96.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 83.9 Ų | 83.9 | 44% | 0.44 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 174.6 | 178.2 | 61.5 | 0 | 0 | 0 | 111 | I28 Q30 I34 Y35 L36 | I28-L32 WeakPolarHBondContact O-CB 3.44Å; I28-L32 PolarHBondContact O-N 3.29Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.03Å; L32-I34 VanDerWaalsContact C-N 3.33Å; L32-I34 PolarHBondContact O-N 3.32Å; L32-Y35 HydrophobicContact CD1-CD1 4.49Å; L32-Y35 PolarHBondContact O-N 3.28Å; L32-L36 HydrophobicContact CD1-CD1 4.28Å; L32-L36 HydrophobicContact CD1-CD2 4.42Å; L32-L36 HydrophobicContact CD1-CG 4.1Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 HydrophobicContact CG-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.36Å |
| 33 | F | 96.4 | Very high | 96.7 | Very high | 26 Ų | 26 | 83.1 Ų | 83.1 | 11% | 0.114 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 177.7 | 179.4 | -92.2 | 0 | 0 | 0 | 112.2 | L29 Q30 L36 L37 P45 Y48 L49 F145 | L29-F33 WeakPolarHBondContact O-CB 3.49Å; L29-F33 PolarHBondContact O-N 3.18Å; Q30-F33 WeakPolarHBondContact O-CB 3.32Å; Q30-F33 PolarHBondContact O-N 3.27Å; F33-L36 PolarHBondContact O-N 3.41Å; F33-L37 HydrophobicContact CE1-CD1 4.49Å; F33-L37 PolarHBondContact O-N 3.18Å; F33-P45 HydrophobicContact CD1-CB 4.38Å; F33-P45 HydrophobicContact CD2-CB 3.66Å; F33-P45 HydrophobicContact CE1-CB 4.03Å; F33-P45 VanDerWaalsContact CE2-CA 3.42Å; F33-P45 HydrophobicContact CE2-CB 3.29Å; F33-P45 HydrophobicContact CG-CB 4.21Å; F33-P45 HydrophobicContact CZ-CB 3.48Å; F33-P45 VanDerWaalsContact CZ-CB 3.48Å; F33-Y48 AromaticContact CE2-CD1 3.42Å; F33-Y48 HydrophobicContact CE2-CD1 3.42Å; F33-Y48 VanDerWaalsContact CE2-CD1 3.42Å; F33-Y48 HydrophobicContact CE2-CE1 4.17Å; F33-Y48 HydrophobicContact CE2-CG 4.08Å; F33-Y48 AromaticContact CZ-CD1 3.6Å; F33-Y48 HydrophobicContact CZ-CD1 3.6Å; F33-Y48 HydrophobicContact CZ-CE1 4.26Å; F33-L49 HydrophobicContact CE1-CD2 4.1Å; F33-L49 HydrophobicContact CE1-CG 4.29Å; F33-L49 HydrophobicContact CZ-CD1 4.45Å; F33-L49 HydrophobicContact CZ-CD2 3.9Å; F33-L49 HydrophobicContact CZ-CG 3.86Å; F33-F145 HydrophobicContact CB-CE2 3.99Å; F33-F145 HydrophobicContact CB-CZ 4.19Å; F33-F145 HydrophobicContact CD2-CE2 4.06Å; F33-F145 AromaticContact CD2-CZ 3.59Å; F33-F145 HydrophobicContact CD2-CZ 3.59Å; F33-F145 HydrophobicContact CE2-CZ 4.18Å; F33-F145 HydrophobicContact CG-CE2 4.05Å; F33-F145 HydrophobicContact CG-CZ 4.06Å |
| 34 | I | 96.6 | Very high | 96.9 | Very high | 94 Ų | 94 | 84 Ų | 84 | 48% | 0.482 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 176.6 | -66.1 | 167.3 | 0 | 0 | 0 | 110.4 | Q30 P31 L32 L36 L37 F38 | Q30-I34 WeakPolarHBondContact O-CG1 3.43Å; Q30-I34 PolarHBondContact O-N 3.36Å; P31-I34 PolarHBondContact O-N 2.9Å; L32-I34 VanDerWaalsContact C-N 3.33Å; L32-I34 PolarHBondContact O-N 3.32Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.37Å; I34-L37 WeakPolarHBondContact O-CB 3.46Å; I34-L37 PolarHBondContact O-N 3.43Å; I34-F38 HydrophobicContact CG2-CE2 4.06Å; I34-F38 WeakPolarHBondContact O-CD2 3.35Å; I34-F38 WeakPolarHBondContact O-CE2 3.42Å |
| 35 | Y | 97.8 | Very high | 96.9 | Very high | 150 Ų | 150 | 82.5 Ų | 82.5 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57.9 | -44.7 | 177.7 | 172.7 | -102.6 | 0 | 0 | 0 | 111.8 | P31 L32 L37 F38 T39 | P31-Y35 VanDerWaalsContact O-CB 3.28Å; P31-Y35 WeakPolarHBondContact O-CB 3.46Å; P31-Y35 PolarHBondContact O-N 2.86Å; L32-Y35 HydrophobicContact CD1-CD1 4.49Å; L32-Y35 PolarHBondContact O-N 3.28Å; Y35-L37 PolarHBondContact O-N 3.19Å; Y35-F38 PolarHBondContact O-N 2.7Å; Y35-T39 HydrophobicContact CD1-CG2 4.09Å; Y35-T39 HydrophobicContact CE1-CG2 3.63Å; Y35-T39 HydrophobicContact CE2-CG2 4.37Å |
| 36 | L | 97.8 | Very high | 97 | Very high | 33 Ų | 33 | 83.5 Ų | 83.5 | 17% | 0.173 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.1 | -29.2 | -179.2 | -71.4 | 173.4 | 0 | 0 | 0 | 113.1 | L32 F33 I34 F38 T39 L41 W42 P45 | L32-L36 HydrophobicContact CD1-CD1 4.28Å; L32-L36 HydrophobicContact CD1-CD2 4.42Å; L32-L36 HydrophobicContact CD1-CG 4.1Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 HydrophobicContact CG-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.36Å; F33-L36 PolarHBondContact O-N 3.41Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.37Å; L36-F38 PolarHBondContact O-N 2.86Å; L36-F38 VanDerWaalsContact O-N 3.16Å; L36-T39 PolarHBondContact O-N 2.79Å; L36-T39 VanDerWaalsContact O-N 3.1Å; L36-T39 PolarHBondContact O-OG1 3.05Å; L36-L41 HydrophobicContact CD2-CB 3.93Å; L36-L41 HydrophobicContact CD2-CD1 3.83Å; L36-W42 VanDerWaalsContact O-CA 3.27Å; L36-W42 WeakPolarHBondContact O-CA 3.45Å; L36-W42 PolarHBondContact O-N 2.79Å; L36-W42 VanDerWaalsContact O-N 3.17Å; L36-P45 HydrophobicContact CB-CG 4.07Å |
| 37 | L | 97.3 | Very high | 97.2 | Very high | 63 Ų | 63 | 85.6 Ų | 85.6 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.1 | 173.9 | -71.7 | 165.1 | 0 | 0 | 0 | 112.9 | F33 I34 Y35 W42 P45 L49 | F33-L37 HydrophobicContact CE1-CD1 4.49Å; F33-L37 PolarHBondContact O-N 3.18Å; I34-L37 WeakPolarHBondContact O-CB 3.46Å; I34-L37 PolarHBondContact O-N 3.43Å; Y35-L37 PolarHBondContact O-N 3.19Å; L37-W42 WeakPolarHBondContact O-CB 3.36Å; L37-P45 HydrophobicContact CB-CG 4.48Å; L37-P45 HydrophobicContact CD2-CB 3.72Å; L37-P45 HydrophobicContact CD2-CG 3.57Å; L37-P45 HydrophobicContact CG-CB 3.88Å; L37-P45 HydrophobicContact CG-CG 3.73Å; L37-L49 HydrophobicContact CD2-CD1 4.48Å |
| 38 | F | 97.8 | Very high | 97.2 | Very high | 172 Ų | 172 | 78.3 Ų | 78.3 | 75% | 0.754 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 14.6 | -179.7 | -56.7 | -80.7 | 0 | 0 | 0 | 113.1 | I34 Y35 L36 | I34-F38 HydrophobicContact CG2-CE2 4.06Å; I34-F38 WeakPolarHBondContact O-CD2 3.35Å; I34-F38 WeakPolarHBondContact O-CE2 3.42Å; Y35-F38 PolarHBondContact O-N 2.7Å; L36-F38 PolarHBondContact O-N 2.86Å; L36-F38 VanDerWaalsContact O-N 3.16Å |
| 39 | T | 98.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -120.3 | 175.9 | 179 | 71.3 | 0 | 0 | 0 | 0 | 111.3 | Y35 L36 L41 W42 | Y35-T39 HydrophobicContact CD1-CG2 4.09Å; Y35-T39 HydrophobicContact CE1-CG2 3.63Å; Y35-T39 HydrophobicContact CE2-CG2 4.37Å; L36-T39 PolarHBondContact O-N 2.79Å; L36-T39 VanDerWaalsContact O-N 3.1Å; L36-T39 PolarHBondContact O-OG1 3.05Å; T39-L41 PolarHBondContact O-N 2.85Å; T39-L41 VanDerWaalsContact O-N 3.1Å; T39-L41 PolarHBondContact OG1-N 2.9Å; T39-L41 VanDerWaalsContact OG1-N 3.16Å; T39-W42 WeakPolarHBondContact O-CB 3.48Å; T39-W42 PolarHBondContact O-N 2.83Å; T39-W42 VanDerWaalsContact O-N 3.1Å |
| 40 | S | 98.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 75.8 Ų | 75.8 | 78% | 0.783 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.9 | 170.9 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | W42 P43 | S40-W42 VanDerWaalsContact C-N 3.32Å; S40-P43 WeakPolarHBondContact O-CD 3.4Å |
| 41 | L | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 78.7 Ų | 78.7 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 8.2 | 176.7 | -62 | 177.1 | 0 | 0 | 0 | 113.6 | L36 T39 P43 L44 P45 | L36-L41 HydrophobicContact CD2-CB 3.93Å; L36-L41 HydrophobicContact CD2-CD1 3.83Å; T39-L41 PolarHBondContact O-N 2.85Å; T39-L41 VanDerWaalsContact O-N 3.1Å; T39-L41 PolarHBondContact OG1-N 2.9Å; T39-L41 VanDerWaalsContact OG1-N 3.16Å; L41-P43 WeakPolarHBondContact O-CD 3.4Å; L41-P43 VanDerWaalsContact O-N 3.1Å; L41-L44 HydrophobicContact CB-CD1 4.39Å; L41-L44 WeakPolarHBondContact O-CB 3.32Å; L41-L44 PolarHBondContact O-N 2.92Å; L41-P45 VanDerWaalsContact O-CD 3.28Å; L41-P45 WeakPolarHBondContact O-CD 3.21Å |
| 42 | W | 98.1 | Very high | 97.2 | Very high | 142 Ų | 142 | 76.4 Ų | 76.4 | 54% | 0.538 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -27.2 | 177 | 78.1 | -95.5 | 0 | 0 | 0 | 115.7 | L36 L37 T39 S40 L44 P45 A46 | L36-W42 VanDerWaalsContact O-CA 3.27Å; L36-W42 WeakPolarHBondContact O-CA 3.45Å; L36-W42 PolarHBondContact O-N 2.79Å; L36-W42 VanDerWaalsContact O-N 3.17Å; L37-W42 WeakPolarHBondContact O-CB 3.36Å; T39-W42 WeakPolarHBondContact O-CB 3.48Å; T39-W42 PolarHBondContact O-N 2.83Å; T39-W42 VanDerWaalsContact O-N 3.1Å; S40-W42 VanDerWaalsContact C-N 3.32Å; W42-L44 PolarHBondContact O-N 3.47Å; W42-P45 WeakPolarHBondContact O-CD 3.35Å; W42-P45 VanDerWaalsContact O-CG 3.29Å; W42-P45 WeakPolarHBondContact O-CG 3.06Å; W42-A46 HydrophobicContact CE3-CB 3.67Å; W42-A46 HydrophobicContact CZ3-CB 3.7Å; W42-A46 WeakPolarHBondContact O-CB 3.41Å; W42-A46 PolarHBondContact O-N 2.85Å; W42-A46 VanDerWaalsContact O-N 3.1Å |
| 43 | P | 98.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -29.4 | 176.3 | -26.5 | 37.8 | 0 | 0 | 0 | 113 | S40 L41 L47 | S40-P43 WeakPolarHBondContact O-CD 3.4Å; L41-P43 WeakPolarHBondContact O-CD 3.4Å; L41-P43 VanDerWaalsContact O-N 3.1Å; P43-L47 WeakPolarHBondContact O-CB 3.32Å; P43-L47 WeakPolarHBondContact O-CG 3.42Å; P43-L47 PolarHBondContact O-N 3.39Å |
| 44 | L | 96.8 | Very high | 97.1 | Very high | 107 Ų | 107 | 86 Ų | 86 | 56% | 0.56 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63 | -58.4 | 178.8 | -62.5 | 176.9 | 0 | 0 | 0 | 112.5 | L41 W42 A46 L47 Y48 | L41-L44 HydrophobicContact CB-CD1 4.39Å; L41-L44 WeakPolarHBondContact O-CB 3.32Å; L41-L44 PolarHBondContact O-N 2.92Å; W42-L44 PolarHBondContact O-N 3.47Å; L44-A46 VanDerWaalsContact C-N 3.31Å; L44-A46 PolarHBondContact O-N 3Å; L44-L47 PolarHBondContact O-N 3.34Å; L44-Y48 PolarHBondContact O-N 2.81Å; L44-Y48 VanDerWaalsContact O-N 3.16Å |
| 45 | P | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.013 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.9 | -33.6 | 176.1 | 25.3 | -34.7 | 0 | 0 | 0 | 112.6 | F33 L36 L37 L41 W42 Y48 L49 | F33-P45 HydrophobicContact CD1-CB 4.38Å; F33-P45 HydrophobicContact CD2-CB 3.66Å; F33-P45 HydrophobicContact CE1-CB 4.03Å; F33-P45 VanDerWaalsContact CE2-CA 3.42Å; F33-P45 HydrophobicContact CE2-CB 3.29Å; F33-P45 HydrophobicContact CG-CB 4.21Å; F33-P45 HydrophobicContact CZ-CB 3.48Å; F33-P45 VanDerWaalsContact CZ-CB 3.48Å; L36-P45 HydrophobicContact CB-CG 4.07Å; L37-P45 HydrophobicContact CB-CG 4.48Å; L37-P45 HydrophobicContact CD2-CB 3.72Å; L37-P45 HydrophobicContact CD2-CG 3.57Å; L37-P45 HydrophobicContact CG-CB 3.88Å; L37-P45 HydrophobicContact CG-CG 3.73Å; L41-P45 VanDerWaalsContact O-CD 3.28Å; L41-P45 WeakPolarHBondContact O-CD 3.21Å; W42-P45 WeakPolarHBondContact O-CD 3.35Å; W42-P45 VanDerWaalsContact O-CG 3.29Å; W42-P45 WeakPolarHBondContact O-CG 3.06Å; P45-Y48 PolarHBondContact O-N 2.86Å; P45-L49 WeakPolarHBondContact O-CG 3.35Å; P45-L49 PolarHBondContact O-N 2.97Å |
| 46 | A | 97.4 | Very high | 96.8 | Very high | 32 Ų | 32 | 81.3 Ų | 81.3 | 26% | 0.264 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W42 L44 Y48 L49 A50 | W42-A46 HydrophobicContact CE3-CB 3.67Å; W42-A46 HydrophobicContact CZ3-CB 3.7Å; W42-A46 WeakPolarHBondContact O-CB 3.41Å; W42-A46 PolarHBondContact O-N 2.85Å; W42-A46 VanDerWaalsContact O-N 3.1Å; L44-A46 VanDerWaalsContact C-N 3.31Å; L44-A46 PolarHBondContact O-N 3Å; A46-Y48 VanDerWaalsContact C-N 3.32Å; A46-Y48 PolarHBondContact O-N 2.89Å; A46-L49 PolarHBondContact O-N 2.77Å; A46-A50 WeakPolarHBondContact O-CB 3.22Å; A46-A50 PolarHBondContact O-N 3.49Å |
| 47 | L | 97.8 | Very high | 96.6 | Very high | 126 Ų | 126 | 85.4 Ų | 85.4 | 66% | 0.66 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 174.6 | -73.7 | 171.4 | 0 | 0 | 0 | 111.5 | P43 L44 A50 W51 | P43-L47 WeakPolarHBondContact O-CB 3.32Å; P43-L47 WeakPolarHBondContact O-CG 3.42Å; P43-L47 PolarHBondContact O-N 3.39Å; L44-L47 PolarHBondContact O-N 3.34Å; L47-A50 PolarHBondContact O-N 2.91Å; L47-W51 WeakPolarHBondContact O-CB 3.47Å; L47-W51 PolarHBondContact O-N 3.38Å |
| 48 | Y | 96.7 | Very high | 96.4 | Very high | 42 Ų | 42 | 83.8 Ų | 83.8 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.6 | 174.9 | -95.1 | 0 | 0 | 0 | 112.3 | F33 L44 P45 A46 W51 L52 P144 F145 E148 | F33-Y48 AromaticContact CE2-CD1 3.42Å; F33-Y48 HydrophobicContact CE2-CD1 3.42Å; F33-Y48 VanDerWaalsContact CE2-CD1 3.42Å; F33-Y48 HydrophobicContact CE2-CE1 4.17Å; F33-Y48 HydrophobicContact CE2-CG 4.08Å; F33-Y48 AromaticContact CZ-CD1 3.6Å; F33-Y48 HydrophobicContact CZ-CD1 3.6Å; F33-Y48 HydrophobicContact CZ-CE1 4.26Å; L44-Y48 PolarHBondContact O-N 2.81Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; P45-Y48 PolarHBondContact O-N 2.86Å; A46-Y48 VanDerWaalsContact C-N 3.32Å; A46-Y48 PolarHBondContact O-N 2.89Å; Y48-W51 AromaticContact CD2-CE3 3.95Å; Y48-W51 HydrophobicContact CD2-CE3 3.95Å; Y48-W51 HydrophobicContact CD2-CZ3 4.16Å; Y48-W51 AromaticContact CE2-CE3 3.81Å; Y48-W51 HydrophobicContact CE2-CE3 3.81Å; Y48-W51 AromaticContact CE2-CZ3 3.56Å; Y48-W51 HydrophobicContact CE2-CZ3 3.56Å; Y48-W51 PolarHBondContact O-N 2.97Å; Y48-L52 HydrophobicContact CE1-CD2 4.38Å; Y48-L52 VanDerWaalsContact O-CB 3.28Å; Y48-L52 WeakPolarHBondContact O-CB 3.37Å; Y48-L52 PolarHBondContact O-N 3.33Å; Y48-P144 HydrophobicContact CE1-CB 3.97Å; Y48-F145 HydrophobicContact CE1-CZ 4.5Å; Y48-F145 PolarHBondContact OH-N 2.84Å; Y48-E148 PolarHBondContact OH-OE1 3.38Å; Y48-E148 PolarHBondContact OH-OE2 3.17Å; Y48-E148 VanDerWaalsContact OH-OE2 3.13Å |
| 49 | L | 96.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 75.9 Ų | 75.9 | 38% | 0.382 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 174.7 | -70.5 | 176.3 | 0 | 0 | 0 | 112.1 | F33 L37 P45 A46 L52 F53 | F33-L49 HydrophobicContact CE1-CD2 4.1Å; F33-L49 HydrophobicContact CE1-CG 4.29Å; F33-L49 HydrophobicContact CZ-CD1 4.45Å; F33-L49 HydrophobicContact CZ-CD2 3.9Å; F33-L49 HydrophobicContact CZ-CG 3.86Å; L37-L49 HydrophobicContact CD2-CD1 4.48Å; P45-L49 WeakPolarHBondContact O-CG 3.35Å; P45-L49 PolarHBondContact O-N 2.97Å; A46-L49 PolarHBondContact O-N 2.77Å; L49-L52 HydrophobicContact CD2-CD2 4.36Å; L49-L52 WeakPolarHBondContact O-CB 3.34Å; L49-L52 PolarHBondContact O-N 2.99Å; L49-F53 PolarHBondContact O-N 3.37Å |
| 50 | A | 97.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 77.6 Ų | 77.6 | 45% | 0.446 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A46 L47 L52 F53 L54 | A46-A50 WeakPolarHBondContact O-CB 3.22Å; A46-A50 PolarHBondContact O-N 3.49Å; L47-A50 PolarHBondContact O-N 2.91Å; A50-L52 PolarHBondContact O-N 3.48Å; A50-F53 PolarHBondContact O-N 3.31Å; A50-L54 WeakPolarHBondContact O-CG 3.17Å; A50-L54 PolarHBondContact O-N 2.93Å; A50-L54 VanDerWaalsContact O-N 3.14Å |
| 51 | W | 96.5 | Very high | 95.5 | Very high | 101 Ų | 101 | 78.8 Ų | 78.8 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 173.4 | 172.7 | 85.8 | 0 | 0 | 0 | 112.2 | L47 Y48 F53 L54 D55 E148 | L47-W51 WeakPolarHBondContact O-CB 3.47Å; L47-W51 PolarHBondContact O-N 3.38Å; Y48-W51 AromaticContact CD2-CE3 3.95Å; Y48-W51 HydrophobicContact CD2-CE3 3.95Å; Y48-W51 HydrophobicContact CD2-CZ3 4.16Å; Y48-W51 AromaticContact CE2-CE3 3.81Å; Y48-W51 HydrophobicContact CE2-CE3 3.81Å; Y48-W51 AromaticContact CE2-CZ3 3.56Å; Y48-W51 HydrophobicContact CE2-CZ3 3.56Å; Y48-W51 PolarHBondContact O-N 2.97Å; W51-F53 VanDerWaalsContact C-N 3.29Å; W51-F53 PolarHBondContact O-N 3.41Å; W51-L54 PolarHBondContact O-N 2.94Å; W51-D55 HydrophobicContact CD2-CB 4.44Å; W51-D55 WeakPolarHBondContact O-CB 3.35Å; W51-D55 PolarHBondContact O-N 3.19Å; W51-E148 HydrophobicContact CH2-CG 4Å; W51-E148 HydrophobicContact CZ3-CG 4.31Å; W51-E148 WeakPolarHBondContact CZ3-OE1 3.3Å |
| 52 | L | 95.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 178.3 | 178 | 62.1 | 0 | 0 | 0 | 111.8 | Y48 L49 A50 D55 W56 P144 | Y48-L52 HydrophobicContact CE1-CD2 4.38Å; Y48-L52 VanDerWaalsContact O-CB 3.28Å; Y48-L52 WeakPolarHBondContact O-CB 3.37Å; Y48-L52 PolarHBondContact O-N 3.33Å; L49-L52 HydrophobicContact CD2-CD2 4.36Å; L49-L52 WeakPolarHBondContact O-CB 3.34Å; L49-L52 PolarHBondContact O-N 2.99Å; A50-L52 PolarHBondContact O-N 3.48Å; L52-D55 CarbonylContact O-C 3.52Å; L52-D55 PolarHBondContact O-N 3.12Å; L52-W56 HydrophobicContact CG-CE3 4.37Å; L52-W56 HydrophobicContact CG-CZ3 4.45Å; L52-W56 WeakPolarHBondContact O-CA 3.29Å; L52-W56 PolarHBondContact O-N 3.34Å; L52-P144 HydrophobicContact CD2-CG 4.2Å |
| 53 | F | 95.5 | Very high | 94.4 | Very high | 163 Ų | 163 | 69.1 Ų | 69.1 | 72% | 0.715 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 176 | 179.7 | -97.2 | 0 | 0 | 0 | 111.8 | L49 A50 W51 D55 W56 | L49-F53 PolarHBondContact O-N 3.37Å; A50-F53 PolarHBondContact O-N 3.31Å; W51-F53 VanDerWaalsContact C-N 3.29Å; W51-F53 PolarHBondContact O-N 3.41Å; F53-D55 PolarHBondContact O-N 3.37Å; F53-W56 WeakPolarHBondContact O-CB 3.39Å; F53-W56 PolarHBondContact O-N 2.9Å |
| 54 | L | 95.7 | Very high | 94.1 | Very high | 148 Ų | 148 | 70.7 Ų | 70.7 | 78% | 0.775 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -33.3 | 175.9 | -64.1 | 174.6 | 0 | 0 | 0 | 112 | A50 W51 | A50-L54 WeakPolarHBondContact O-CG 3.17Å; A50-L54 PolarHBondContact O-N 2.93Å; A50-L54 VanDerWaalsContact O-N 3.14Å; W51-L54 PolarHBondContact O-N 2.94Å |
| 55 | D | 95.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 70.6 Ų | 70.6 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.8 | -176.7 | -170.7 | 59.2 | 0 | 0 | 0 | 114.6 | W51 L52 F53 K57 T58 R64 R147 | W51-D55 HydrophobicContact CD2-CB 4.44Å; W51-D55 WeakPolarHBondContact O-CB 3.35Å; W51-D55 PolarHBondContact O-N 3.19Å; L52-D55 CarbonylContact O-C 3.52Å; L52-D55 PolarHBondContact O-N 3.12Å; F53-D55 PolarHBondContact O-N 3.37Å; D55-K57 PolarHBondContact O-N 2.96Å; D55-T58 WeakPolarHBondContact O-CB 3.34Å; D55-T58 PolarHBondContact O-N 2.85Å; D55-T58 PolarHBondContact O-OG1 3.22Å; D55-T58 WeakPolarHBondContact OD1-CB 3.23Å; D55-T58 PolarHBondContact OD1-OG1 3.14Å; D55-R64 IonicContact OD1-CZ 3.06Å; D55-R64 IonicContact OD1-NE 2.66Å; D55-R64 IonicContact OD1-NH1 3.28Å; D55-R64 IonicContact OD1-NH2 2.88Å; D55-R64 PolarHBondContact OD1-NH2 3.24Å; D55-R64 IonicContact OD2-CZ 2.75Å; D55-R64 IonicContact OD2-NH1 2.76Å; D55-R64 PolarHBondContact OD2-NH1 3.42Å; D55-R64 IonicContact OD2-NH2 2.99Å; D55-R64 PolarHBondContact OD2-NH2 3.31Å; D55-R147 PolarHBondContact O-NH2 2.94Å; D55-R147 IonicContact OD2-CZ 2.71Å; D55-R147 VanDerWaalsContact OD2-CZ 3.28Å; D55-R147 IonicContact OD2-NH1 3.25Å; D55-R147 PolarHBondContact OD2-NH1 3.3Å; D55-R147 IonicContact OD2-NH2 2.94Å; D55-R147 PolarHBondContact OD2-NH2 2.92Å |
| 56 | W | 92.8 | Very high | 93.9 | Very high | 132 Ų | 132 | 72.2 Ų | 72.2 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -37.1 | -165.7 | -171.9 | -101.7 | 0 | 0 | 0 | 113.7 | L52 F53 P59 K142 | L52-W56 HydrophobicContact CG-CE3 4.37Å; L52-W56 HydrophobicContact CG-CZ3 4.45Å; L52-W56 WeakPolarHBondContact O-CA 3.29Å; L52-W56 PolarHBondContact O-N 3.34Å; F53-W56 WeakPolarHBondContact O-CB 3.39Å; F53-W56 PolarHBondContact O-N 2.9Å; W56-P59 WeakPolarHBondContact O-CD 3.41Å; W56-K142 HydrophobicContact CH2-CB 4.4Å; W56-K142 HydrophobicContact CH2-CG 4.32Å; W56-K142 HydrophobicContact CZ2-CG 4.27Å |
| 57 | K | 93 | Very high | 93.8 | Very high | 119 Ų | 119 | 73.9 Ų | 73.9 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.5 | -177.1 | -65.5 | -168.5 | 176.7 | -174.4 | 0 | 115.1 | D55 P59 E60 R61 | D55-K57 PolarHBondContact O-N 2.96Å; K57-P59 VanDerWaalsContact C-CD 3.48Å; K57-E60 CarbonylContact O-C 3.59Å; K57-E60 WeakPolarHBondContact O-CA 3.31Å; K57-E60 WeakPolarHBondContact O-CB 3.22Å; K57-E60 PolarHBondContact O-N 2.76Å; K57-R61 PolarHBondContact O-N 2.88Å |
| 58 | T | 93.6 | Very high | 93.8 | Very high | 29 Ų | 29 | 76.6 Ų | 76.6 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -59.3 | -38.2 | -175.1 | -65.2 | 0 | 0 | 0 | 0 | 114.8 | D55 E60 R61 G63 R64 M151 | D55-T58 WeakPolarHBondContact O-CB 3.34Å; D55-T58 PolarHBondContact O-N 2.85Å; D55-T58 PolarHBondContact O-OG1 3.22Å; D55-T58 WeakPolarHBondContact OD1-CB 3.23Å; D55-T58 PolarHBondContact OD1-OG1 3.14Å; T58-E60 PolarHBondContact O-N 3.31Å; T58-E60 VanDerWaalsContact O-N 3.17Å; T58-R61 CarbonylContact O-C 3.5Å; T58-R61 PolarHBondContact O-N 3.41Å; T58-G63 WeakPolarHBondContact O-CA 3.4Å; T58-G63 PolarHBondContact O-N 3.24Å; T58-R64 HydrophobicContact CG2-CG 3.74Å; T58-M151 HydrophobicContact CG2-SD 3.94Å |
| 59 | P | 90.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.032 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -58.3 | -25.7 | 171.9 | -26.7 | 36.4 | 0 | 0 | 0 | 114.7 | W56 K57 F141 M151 | W56-P59 WeakPolarHBondContact O-CD 3.41Å; K57-P59 VanDerWaalsContact C-CD 3.48Å; P59-F141 HydrophobicContact CB-CB 3.73Å; P59-F141 HydrophobicContact CB-CD1 3.56Å; P59-F141 HydrophobicContact CB-CD2 4.48Å; P59-F141 HydrophobicContact CB-CE1 4.28Å; P59-F141 HydrophobicContact CB-CG 3.67Å; P59-F141 HydrophobicContact CG-CB 3.81Å; P59-F141 HydrophobicContact CG-CD1 3.88Å; P59-F141 HydrophobicContact CG-CG 4.13Å; P59-M151 HydrophobicContact CB-SD 4.34Å; P59-M151 HydrophobicContact CG-CE 4.36Å; P59-M151 HydrophobicContact CG-SD 3.83Å |
| 60 | E | 91.4 | Very high | 93.8 | Very high | 72 Ų | 72 | 72.1 Ų | 72.1 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -93 | 2.5 | 177.4 | -56.7 | -177.1 | 154.3 | 0 | 0 | 112.6 | K57 T58 A162 Y165 | K57-E60 CarbonylContact O-C 3.59Å; K57-E60 WeakPolarHBondContact O-CA 3.31Å; K57-E60 WeakPolarHBondContact O-CB 3.22Å; K57-E60 PolarHBondContact O-N 2.76Å; T58-E60 PolarHBondContact O-N 3.31Å; T58-E60 VanDerWaalsContact O-N 3.17Å; E60-A162 HydrophobicContact CB-CB 4.23Å; E60-A162 WeakPolarHBondContact O-CA 3.31Å; E60-Y165 WeakPolarHBondContact O-CB 3.19Å |
| 61 | R | 92.2 | Very high | 93.8 | Very high | 137 Ų | 137 | 74.4 Ų | 74.4 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 35.7 | -177.9 | -64.7 | -179.3 | 177 | -177.9 | -5.6 | 112.2 | K57 T58 G63 Y165 | K57-R61 PolarHBondContact O-N 2.88Å; T58-R61 CarbonylContact O-C 3.5Å; T58-R61 PolarHBondContact O-N 3.41Å; R61-G63 VanDerWaalsContact C-N 3.34Å; R61-G63 PolarHBondContact O-N 3.01Å; R61-Y165 VanDerWaalsContact C-CD1 3.48Å; R61-Y165 VanDerWaalsContact CA-CD1 3.45Å; R61-Y165 HydrophobicContact CB-CD1 4.23Å; R61-Y165 HydrophobicContact CB-CD2 4.18Å; R61-Y165 HydrophobicContact CB-CE1 3.92Å; R61-Y165 HydrophobicContact CB-CE2 3.86Å; R61-Y165 HydrophobicContact CB-CG 4.36Å; R61-Y165 HydrophobicContact CG-CD2 3.86Å; R61-Y165 HydrophobicContact CG-CE2 3.74Å; R61-Y165 HydrophobicContact CG-CG 4.37Å; R61-Y165 WeakPolarHBondContact O-CE1 3.33Å |
| 62 | G | 83.3 | Confident | 93.8 | Very high | 13 Ų | 13 | 72.6 Ų | 72.6 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 63 | G | 89.4 | Confident | 93.8 | Very high | 17 Ų | 17 | 76 Ų | 76 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | trans | 69.5 | -156.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | T58 R61 | T58-G63 WeakPolarHBondContact O-CA 3.4Å; T58-G63 PolarHBondContact O-N 3.24Å; R61-G63 VanDerWaalsContact C-N 3.34Å; R61-G63 PolarHBondContact O-N 3.01Å | ||
| 64 | R | 91 | Very high | 93.9 | Very high | 86 Ų | 86 | 68.9 Ų | 68.9 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | trans | -134.2 | 86 | 178.1 | -66.1 | -164.1 | -156.5 | 98.3 | -28.8 | 111.6 | D55 T58 M151 A152 | D55-R64 IonicContact OD1-CZ 3.06Å; D55-R64 IonicContact OD1-NE 2.66Å; D55-R64 IonicContact OD1-NH1 3.28Å; D55-R64 IonicContact OD1-NH2 2.88Å; D55-R64 PolarHBondContact OD1-NH2 3.24Å; D55-R64 IonicContact OD2-CZ 2.75Å; D55-R64 IonicContact OD2-NH1 2.76Å; D55-R64 PolarHBondContact OD2-NH1 3.42Å; D55-R64 IonicContact OD2-NH2 2.99Å; D55-R64 PolarHBondContact OD2-NH2 3.31Å; T58-R64 HydrophobicContact CG2-CG 3.74Å; R64-M151 CarbonylContact C-O 3.53Å; R64-M151 VanDerWaalsContact C-O 3.25Å; R64-M151 HydrophobicContact CB-CB 4.49Å; R64-M151 CarbonylContact O-C 3.58Å; R64-A152 VanDerWaalsContact O-CA 3.26Å; R64-A152 WeakPolarHBondContact O-CA 3.46Å; R64-A152 PolarHBondContact O-N 3.15Å | ||
| 65 | R | 94.2 | Very high | 93.9 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | trans | -68.9 | 132.7 | 179.7 | -161.3 | 167.8 | 82.8 | -115.3 | 11.2 | 110.6 | R70 M151 | R65-R70 HydrophobicContact CG-CG 4.44Å; R65-M151 WeakPolarHBondContact CA-O 3.31Å | ||
| 66 | S | 96.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 63.4 Ų | 63.4 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | trans | -112.3 | 115.1 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | W68 V69 R70 A152 | S66-W68 PolarHBondContact O-N 2.73Å; S66-W68 PolarHBondContact OG-N 3.23Å; S66-V69 PolarHBondContact O-N 2.72Å; S66-V69 PolarHBondContact OG-N 3.13Å; S66-R70 VanDerWaalsContact O-CG 3.27Å; S66-R70 WeakPolarHBondContact O-CG 3.33Å; S66-R70 PolarHBondContact O-N 3.17Å; S66-A152 PolarHBondContact N-O 2.65Å | ||
| 67 | A | 96.1 | Very high | 94 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 55% | 0.554 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.9 | -37.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R70 N71 | A67-R70 PolarHBondContact O-N 3.18Å; A67-N71 WeakPolarHBondContact O-CB 3.36Å; A67-N71 PolarHBondContact O-N 2.88Å; A67-N71 PolarHBondContact O-ND2 3.18Å |
| 68 | W | 97.1 | Very high | 94.1 | Very high | 184 Ų | 184 | 54.1 Ų | 54.1 | 70% | 0.697 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.5 | -50.2 | 177.9 | 177.5 | 69.4 | 0 | 0 | 0 | 112.2 | S66 R70 N71 W72 | S66-W68 PolarHBondContact O-N 2.73Å; S66-W68 PolarHBondContact OG-N 3.23Å; W68-R70 VanDerWaalsContact C-N 3.33Å; W68-R70 PolarHBondContact O-N 3.16Å; W68-N71 PolarHBondContact O-N 3.43Å; W68-N71 VanDerWaalsContact O-N 3.17Å; W68-W72 AromaticContact CD2-NE1 3.43Å; W68-W72 AromaticContact CE2-NE1 3.37Å; W68-W72 HydrophobicContact CE3-CZ2 4.16Å; W68-W72 AromaticContact CE3-NE1 3.47Å; W68-W72 AromaticContact CH2-CE2 3.89Å; W68-W72 AromaticContact CH2-CZ2 3.75Å; W68-W72 HydrophobicContact CH2-CZ2 3.75Å; W68-W72 AromaticContact CH2-NE1 3.44Å; W68-W72 AromaticContact CZ2-NE1 3.38Å; W68-W72 AromaticContact CZ3-CE2 3.82Å; W68-W72 AromaticContact CZ3-CZ2 3.53Å; W68-W72 HydrophobicContact CZ3-CZ2 3.53Å; W68-W72 AromaticContact CZ3-NE1 3.49Å; W68-W72 PolarHBondContact O-N 3.05Å |
| 69 | V | 96.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 179 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | S66 N71 W72 W75 A152 K153 | S66-V69 PolarHBondContact O-N 2.72Å; S66-V69 PolarHBondContact OG-N 3.13Å; V69-N71 PolarHBondContact O-N 2.79Å; V69-W72 HydrophobicContact CB-CZ2 4.29Å; V69-W72 HydrophobicContact CG1-CD2 4.2Å; V69-W72 HydrophobicContact CG1-CE3 4.14Å; V69-W72 HydrophobicContact CG1-CH2 4.08Å; V69-W72 HydrophobicContact CG1-CZ2 4.14Å; V69-W72 HydrophobicContact CG1-CZ3 4.08Å; V69-W72 HydrophobicContact CG2-CH2 4.26Å; V69-W72 HydrophobicContact CG2-CZ2 3.7Å; V69-W72 PolarHBondContact O-N 3.07Å; V69-W75 PolarHBondContact O-NE1 2.82Å; V69-A152 HydrophobicContact CB-CB 4.16Å; V69-A152 HydrophobicContact CG1-CB 4.14Å; V69-A152 HydrophobicContact CG2-CB 3.98Å; V69-K153 HydrophobicContact CG1-CG 3.89Å |
| 70 | R | 96.7 | Very high | 94.5 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 4% | 0.038 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -19.5 | 179.3 | -66.8 | -176.8 | 62.7 | -121.5 | 3.9 | 114.2 | R65 S66 A67 W68 C117 E119 | R65-R70 HydrophobicContact CG-CG 4.44Å; S66-R70 VanDerWaalsContact O-CG 3.27Å; S66-R70 WeakPolarHBondContact O-CG 3.33Å; S66-R70 PolarHBondContact O-N 3.17Å; A67-R70 PolarHBondContact O-N 3.18Å; W68-R70 VanDerWaalsContact C-N 3.33Å; W68-R70 PolarHBondContact O-N 3.16Å; R70-C117 VanDerWaalsContact CG-O 3.29Å; R70-C117 WeakPolarHBondContact CG-O 3.41Å; R70-C117 PolarHBondContact NE-O 2.81Å; R70-E119 IonicContact CZ-OE1 2.76Å; R70-E119 IonicContact NH1-OE1 2.65Å; R70-E119 PolarHBondContact NH1-OE1 3.24Å; R70-E119 IonicContact NH2-OE1 2.77Å; R70-E119 PolarHBondContact NH2-OE1 2.79Å; R70-E119 PolarHBondContact O-N 3.08Å |
| 71 | N | 97.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12.1 | 179.3 | -75.7 | -80.2 | 0 | 0 | 0 | 113.3 | A67 W68 V69 C73 E119 | A67-N71 WeakPolarHBondContact O-CB 3.36Å; A67-N71 PolarHBondContact O-N 2.88Å; A67-N71 PolarHBondContact O-ND2 3.18Å; W68-N71 PolarHBondContact O-N 3.43Å; W68-N71 VanDerWaalsContact O-N 3.17Å; V69-N71 PolarHBondContact O-N 2.79Å; N71-C73 PolarHBondContact O-N 3.43Å; N71-E119 WeakPolarHBondContact OD1-CB 3.3Å |
| 72 | W | 96.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | trans | -60.1 | 139.3 | 175.9 | -70.6 | -14.4 | 0 | 0 | 0 | 112.2 | W68 V69 V74 W75 Y149 | W68-W72 AromaticContact CD2-NE1 3.43Å; W68-W72 AromaticContact CE2-NE1 3.37Å; W68-W72 HydrophobicContact CE3-CZ2 4.16Å; W68-W72 AromaticContact CE3-NE1 3.47Å; W68-W72 AromaticContact CH2-CE2 3.89Å; W68-W72 AromaticContact CH2-CZ2 3.75Å; W68-W72 HydrophobicContact CH2-CZ2 3.75Å; W68-W72 AromaticContact CH2-NE1 3.44Å; W68-W72 AromaticContact CZ2-NE1 3.38Å; W68-W72 AromaticContact CZ3-CE2 3.82Å; W68-W72 AromaticContact CZ3-CZ2 3.53Å; W68-W72 HydrophobicContact CZ3-CZ2 3.53Å; W68-W72 AromaticContact CZ3-NE1 3.49Å; W68-W72 PolarHBondContact O-N 3.05Å; V69-W72 HydrophobicContact CB-CZ2 4.29Å; V69-W72 HydrophobicContact CG1-CD2 4.2Å; V69-W72 HydrophobicContact CG1-CE3 4.14Å; V69-W72 HydrophobicContact CG1-CH2 4.08Å; V69-W72 HydrophobicContact CG1-CZ2 4.14Å; V69-W72 HydrophobicContact CG1-CZ3 4.08Å; V69-W72 HydrophobicContact CG2-CH2 4.26Å; V69-W72 HydrophobicContact CG2-CZ2 3.7Å; V69-W72 PolarHBondContact O-N 3.07Å; W72-V74 HydrophobicContact CB-CG1 3.92Å; W72-V74 HydrophobicContact CE3-CG1 4.31Å; W72-V74 PolarHBondContact O-N 2.93Å; W72-V74 VanDerWaalsContact O-N 3.14Å; W72-W75 HydrophobicContact CE3-CH2 4.37Å; W72-W75 AromaticContact CE3-CZ2 3.58Å; W72-W75 HydrophobicContact CE3-CZ2 3.58Å; W72-W75 HydrophobicContact CZ3-CZ2 4.11Å; W72-W75 VanDerWaalsContact O-CD1 3.29Å; W72-W75 PolarHBondContact O-N 3.3Å; W72-W75 VanDerWaalsContact O-N 3.12Å; W72-Y149 HydrophobicContact CH2-CE2 4.4Å; W72-Y149 HydrophobicContact CZ3-CE2 4.06Å | ||
| 73 | C | 95.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 55% | 0.554 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.1 | -31.1 | -177.6 | -168 | 0 | 0 | 0 | 0 | 113.1 | N71 W75 T76 H77 | N71-C73 PolarHBondContact O-N 3.43Å; C73-W75 PolarHBondContact O-N 2.93Å; C73-W75 VanDerWaalsContact O-N 3.16Å; C73-T76 WeakPolarHBondContact O-CA 3.05Å; C73-T76 VanDerWaalsContact O-CB 3.29Å; C73-T76 WeakPolarHBondContact O-CB 3.37Å; C73-T76 PolarHBondContact O-N 2.87Å; C73-H77 PolarHBondContact O-CD2 2.79Å; C73-H77 PolarHBondContact O-N 3.45Å; C73-H77 PolarHBondContact SG-NE2 3.41Å |
| 74 | V | 95.9 | Very high | 95.8 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.3 | -35.1 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | M14 Q17 W72 T76 H77 I78 | M14-V74 HydrophobicContact CB-CG2 3.93Å; M14-V74 HydrophobicContact CG-CG2 4.28Å; M14-V74 HydrophobicContact SD-CB 3.84Å; M14-V74 HydrophobicContact SD-CG2 3.59Å; M14-V74 VanDerWaalsContact SD-CG2 3.59Å; Q17-V74 HydrophobicContact CB-CG2 3.8Å; Q17-V74 HydrophobicContact CG-CG2 3.95Å; W72-V74 HydrophobicContact CB-CG1 3.92Å; W72-V74 HydrophobicContact CE3-CG1 4.31Å; W72-V74 PolarHBondContact O-N 2.93Å; W72-V74 VanDerWaalsContact O-N 3.14Å; V74-T76 VanDerWaalsContact C-N 3.31Å; V74-T76 PolarHBondContact O-N 3.5Å; V74-H77 PolarHBondContact O-N 3.11Å; V74-I78 HydrophobicContact CG2-CD1 4.13Å; V74-I78 WeakPolarHBondContact O-CG1 3.39Å; V74-I78 PolarHBondContact O-N 3.27Å |
| 75 | W | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 178.4 | -47.4 | 136.8 | 0 | 0 | 0 | 112.3 | W18 V69 W72 C73 I78 R79 F113 T118 A120 K153 | W18-W75 AromaticContact CD1-CZ3 3.93Å; W18-W75 AromaticContact NE1-CH2 3.78Å; W18-W75 AromaticContact NE1-CZ3 3.64Å; V69-W75 PolarHBondContact O-NE1 2.82Å; W72-W75 HydrophobicContact CE3-CH2 4.37Å; W72-W75 AromaticContact CE3-CZ2 3.58Å; W72-W75 HydrophobicContact CE3-CZ2 3.58Å; W72-W75 HydrophobicContact CZ3-CZ2 4.11Å; W72-W75 VanDerWaalsContact O-CD1 3.29Å; W72-W75 PolarHBondContact O-N 3.3Å; W72-W75 VanDerWaalsContact O-N 3.12Å; C73-W75 PolarHBondContact O-N 2.93Å; C73-W75 VanDerWaalsContact O-N 3.16Å; W75-I78 HydrophobicContact CE3-CD1 3.81Å; W75-I78 HydrophobicContact CZ3-CD1 4Å; W75-I78 PolarHBondContact O-N 2.85Å; W75-R79 WeakPolarHBondContact O-CB 3.41Å; W75-R79 PolarHBondContact O-N 3.38Å; W75-F113 HydrophobicContact CD2-CE1 4.08Å; W75-F113 HydrophobicContact CD2-CZ 4.21Å; W75-F113 AromaticContact CE3-CE1 3.57Å; W75-F113 HydrophobicContact CE3-CE1 3.57Å; W75-F113 AromaticContact CE3-CZ 3.97Å; W75-F113 HydrophobicContact CE3-CZ 3.97Å; W75-F113 HydrophobicContact CH2-CE1 4.34Å; W75-F113 HydrophobicContact CH2-CZ 4.01Å; W75-F113 HydrophobicContact CZ2-CZ 4.2Å; W75-F113 AromaticContact CZ3-CE1 3.74Å; W75-F113 HydrophobicContact CZ3-CE1 3.74Å; W75-F113 AromaticContact CZ3-CZ 3.89Å; W75-F113 HydrophobicContact CZ3-CZ 3.89Å; W75-T118 HydrophobicContact CB-CG2 4.04Å; W75-T118 HydrophobicContact CD2-CG2 3.88Å; W75-T118 HydrophobicContact CG-CG2 3.6Å; W75-A120 HydrophobicContact CB-CB 3.8Å; W75-A120 WeakPolarHBondContact O-CB 3.45Å; W75-K153 HydrophobicContact CZ2-CD 4.33Å |
| 76 | T | 95.8 | Very high | 96.2 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 174.8 | -51.9 | 0 | 0 | 0 | 0 | 110.4 | C73 V74 I78 R79 D80 | C73-T76 WeakPolarHBondContact O-CA 3.05Å; C73-T76 VanDerWaalsContact O-CB 3.29Å; C73-T76 WeakPolarHBondContact O-CB 3.37Å; C73-T76 PolarHBondContact O-N 2.87Å; V74-T76 VanDerWaalsContact C-N 3.31Å; V74-T76 PolarHBondContact O-N 3.5Å; T76-I78 PolarHBondContact O-N 2.81Å; T76-R79 VanDerWaalsContact CG2-NH2 3.26Å; T76-R79 WeakPolarHBondContact O-CB 3.18Å; T76-R79 PolarHBondContact O-N 3.1Å; T76-D80 WeakPolarHBondContact O-CB 3.29Å; T76-D80 PolarHBondContact O-N 2.88Å |
| 77 | H | 95.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 26% | 0.255 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 174.8 | -69.2 | -57.9 | 0 | 0 | 0 | 113.1 | F10 M14 C73 V74 D80 Y81 | F10-H77 AromaticContact CE1-CD2 3.9Å; F10-H77 AromaticContact CE1-CE1 3.74Å; F10-H77 AromaticContact CE1-NE2 3.54Å; F10-H77 AromaticContact CZ-NE2 3.89Å; M14-H77 HydrophobicContact CB-CB 4Å; M14-H77 HydrophobicContact CG-CB 3.91Å; C73-H77 PolarHBondContact O-CD2 2.79Å; C73-H77 PolarHBondContact O-N 3.45Å; C73-H77 PolarHBondContact SG-NE2 3.41Å; V74-H77 PolarHBondContact O-N 3.11Å; H77-D80 PolarHBondContact O-N 2.99Å; H77-Y81 WeakPolarHBondContact O-CB 3.47Å; H77-Y81 PolarHBondContact O-N 3.46Å |
| 78 | I | 95.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 174.7 | -69.8 | 164.6 | 0 | 0 | 0 | 110.2 | L15 V74 W75 T76 D80 Y81 F82 I84 F110 | L15-I78 HydrophobicContact CD2-CG1 4.29Å; V74-I78 HydrophobicContact CG2-CD1 4.13Å; V74-I78 WeakPolarHBondContact O-CG1 3.39Å; V74-I78 PolarHBondContact O-N 3.27Å; W75-I78 HydrophobicContact CE3-CD1 3.81Å; W75-I78 HydrophobicContact CZ3-CD1 4Å; W75-I78 PolarHBondContact O-N 2.85Å; T76-I78 PolarHBondContact O-N 2.81Å; I78-D80 VanDerWaalsContact C-N 3.34Å; I78-D80 PolarHBondContact O-N 2.88Å; I78-Y81 PolarHBondContact O-N 3.23Å; I78-F82 HydrophobicContact CG2-CD2 3.98Å; I78-F82 HydrophobicContact CG2-CE2 4.08Å; I78-F82 WeakPolarHBondContact O-CD2 3.43Å; I78-F82 PolarHBondContact O-N 3.5Å; I78-I84 HydrophobicContact CG2-CD1 4.41Å; I78-F110 HydrophobicContact CG2-CD1 4.03Å |
| 79 | R | 96.2 | Very high | 96.3 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.8 | -48.9 | 174.8 | 177.6 | -156.2 | 70.4 | -166.2 | 2.4 | 111.7 | W75 T76 Y81 F82 P83 I84 A120 T121 | W75-R79 WeakPolarHBondContact O-CB 3.41Å; W75-R79 PolarHBondContact O-N 3.38Å; T76-R79 VanDerWaalsContact CG2-NH2 3.26Å; T76-R79 WeakPolarHBondContact O-CB 3.18Å; T76-R79 PolarHBondContact O-N 3.1Å; R79-Y81 VanDerWaalsContact C-N 3.28Å; R79-Y81 PolarHBondContact O-N 2.96Å; R79-F82 CarbonylContact O-C 3.4Å; R79-F82 PolarHBondContact O-N 3.23Å; R79-P83 CarbonylContact O-C 3.4Å; R79-P83 VanDerWaalsContact O-CA 3.24Å; R79-P83 WeakPolarHBondContact O-CA 3.32Å; R79-P83 VanDerWaalsContact O-N 3.09Å; R79-I84 HydrophobicContact CB-CB 4.47Å; R79-I84 HydrophobicContact CG-CB 4.03Å; R79-I84 WeakPolarHBondContact CG-O 3.33Å; R79-I84 PolarHBondContact O-N 2.92Å; R79-A120 HydrophobicContact CB-CB 4.17Å; R79-A120 WeakPolarHBondContact CD-O 3.33Å; R79-A120 PolarHBondContact NH1-O 3.32Å; R79-T121 HydrophobicContact CG-CG2 3.96Å |
| 80 | D | 95.5 | Very high | 96.3 | Very high | 85 Ų | 85 | 48 Ų | 48 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72 | -23.7 | -175.6 | -67.9 | -16.9 | 0 | 0 | 0 | 113.3 | T76 H77 I78 P83 | T76-D80 WeakPolarHBondContact O-CB 3.29Å; T76-D80 PolarHBondContact O-N 2.88Å; H77-D80 PolarHBondContact O-N 2.99Å; I78-D80 VanDerWaalsContact C-N 3.34Å; I78-D80 PolarHBondContact O-N 2.88Å; D80-P83 WeakPolarHBondContact O-CD 3.4Å |
| 81 | Y | 94.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.3 | -40.3 | 174.9 | 176.8 | -95.7 | 0 | 0 | 0 | 112.5 | P7 L15 H77 I78 R79 P83 Q258 P269 A271 | P7-Y81 HydrophobicContact CB-CD2 4.31Å; P7-Y81 HydrophobicContact CB-CE2 3.72Å; P7-Y81 HydrophobicContact CG-CE2 4.05Å; L15-Y81 HydrophobicContact CD1-CD1 3.74Å; L15-Y81 HydrophobicContact CD1-CD2 3.83Å; L15-Y81 HydrophobicContact CD1-CE1 3.58Å; L15-Y81 HydrophobicContact CD1-CE2 3.68Å; L15-Y81 HydrophobicContact CD1-CG 3.82Å; L15-Y81 HydrophobicContact CD2-CD1 3.4Å; L15-Y81 HydrophobicContact CD2-CE1 3.89Å; L15-Y81 HydrophobicContact CD2-CG 3.77Å; L15-Y81 HydrophobicContact CG-CD1 4.16Å; L15-Y81 HydrophobicContact CG-CE1 4.39Å; L15-Y81 HydrophobicContact CG-CG 4.24Å; H77-Y81 WeakPolarHBondContact O-CB 3.47Å; H77-Y81 PolarHBondContact O-N 3.46Å; I78-Y81 PolarHBondContact O-N 3.23Å; R79-Y81 VanDerWaalsContact C-N 3.28Å; R79-Y81 PolarHBondContact O-N 2.96Å; Y81-P83 WeakPolarHBondContact O-CD 3.45Å; Y81-Q258 PolarHBondContact OH-NE2 3.35Å; Y81-P269 HydrophobicContact CE1-CG 3.96Å; Y81-P269 PolarHBondContact OH-O 3.49Å; Y81-A271 HydrophobicContact CE1-CB 4.24Å; Y81-A271 HydrophobicContact CE2-CB 4Å |
| 82 | F | 94.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 17.4 | 179.7 | -66.4 | -68.9 | 0 | 0 | 0 | 114.4 | L15 I78 R79 I84 F110 V225 P269 Y270 R272 P273 I274 | L15-F82 HydrophobicContact CD2-CD2 4.37Å; L15-F82 HydrophobicContact CD2-CE2 3.69Å; L15-F82 HydrophobicContact CD2-CZ 4.18Å; I78-F82 HydrophobicContact CG2-CD2 3.98Å; I78-F82 HydrophobicContact CG2-CE2 4.08Å; I78-F82 WeakPolarHBondContact O-CD2 3.43Å; I78-F82 PolarHBondContact O-N 3.5Å; R79-F82 CarbonylContact O-C 3.4Å; R79-F82 PolarHBondContact O-N 3.23Å; F82-I84 VanDerWaalsContact C-N 3.25Å; F82-I84 HydrophobicContact CB-CD1 4.05Å; F82-I84 HydrophobicContact CB-CG1 3.54Å; F82-I84 HydrophobicContact CD2-CD1 4.18Å; F82-I84 PolarHBondContact O-N 3.21Å; F82-I84 VanDerWaalsContact O-N 3.12Å; F82-F110 HydrophobicContact CD2-CB 4.38Å; F82-F110 HydrophobicContact CD2-CG 4.38Å; F82-F110 HydrophobicContact CE2-CB 4.09Å; F82-F110 AromaticContact CE2-CD1 3.8Å; F82-F110 HydrophobicContact CE2-CD1 3.8Å; F82-F110 AromaticContact CE2-CD2 3.77Å; F82-F110 HydrophobicContact CE2-CD2 3.77Å; F82-F110 HydrophobicContact CE2-CE1 4.1Å; F82-F110 HydrophobicContact CE2-CE2 4.05Å; F82-F110 AromaticContact CE2-CG 3.63Å; F82-F110 HydrophobicContact CE2-CG 3.63Å; F82-F110 HydrophobicContact CE2-CZ 4.21Å; F82-F110 HydrophobicContact CZ-CD1 4.42Å; F82-F110 AromaticContact CZ-CD2 3.61Å; F82-F110 HydrophobicContact CZ-CD2 3.61Å; F82-F110 AromaticContact CZ-CE2 3.7Å; F82-F110 HydrophobicContact CZ-CE2 3.7Å; F82-F110 AromaticContact CZ-CG 3.98Å; F82-F110 HydrophobicContact CZ-CG 3.98Å; F82-F110 HydrophobicContact CZ-CZ 4.18Å; F82-V225 HydrophobicContact CD1-CG1 3.79Å; F82-V225 HydrophobicContact CE1-CB 3.85Å; F82-V225 HydrophobicContact CE1-CG1 3.52Å; F82-V225 HydrophobicContact CZ-CG1 4.41Å; F82-P269 HydrophobicContact CE1-CB 3.68Å; F82-P269 HydrophobicContact CE1-CG 3.9Å; F82-P269 HydrophobicContact CE2-CG 4.25Å; F82-P269 HydrophobicContact CZ-CB 3.47Å; F82-P269 VanDerWaalsContact CZ-CB 3.47Å; F82-P269 HydrophobicContact CZ-CG 3.31Å; F82-Y270 VanDerWaalsContact CE1-O 3.31Å; F82-Y270 WeakPolarHBondContact CE1-O 3.4Å; F82-R272 CarbonylContact C-O 3.51Å; F82-R272 WeakPolarHBondContact CA-O 3.45Å; F82-R272 VanDerWaalsContact O-O 3.09Å; F82-P273 CarbonylContact O-C 3.54Å; F82-P273 WeakPolarHBondContact O-CA 3.34Å; F82-I274 HydrophobicContact CB-CD1 3.81Å; F82-I274 HydrophobicContact CB-CG1 4.07Å; F82-I274 HydrophobicContact CD1-CD1 4Å; F82-I274 HydrophobicContact CD2-CD1 4.37Å; F82-I274 HydrophobicContact CG-CD1 3.85Å; F82-I274 HydrophobicContact CG-CG1 4.5Å; F82-I274 PolarHBondContact O-N 3.15Å |
| 83 | P | 95.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 47.4 Ų | 47.4 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 20.8 | 61.7 | -157.9 | -37.5 | 29.9 | 0 | 0 | 0 | 116.6 | R79 D80 Y81 T85 | R79-P83 CarbonylContact O-C 3.4Å; R79-P83 VanDerWaalsContact O-CA 3.24Å; R79-P83 WeakPolarHBondContact O-CA 3.32Å; R79-P83 VanDerWaalsContact O-N 3.09Å; D80-P83 WeakPolarHBondContact O-CD 3.4Å; Y81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-T85 PolarHBondContact O-N 3.1Å |
| 84 | I | 97.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -71.8 | 126.9 | -173.1 | -50.5 | -178.8 | 0 | 0 | 0 | 110.6 | I78 R79 F82 F110 C114 T121 I274 | I78-I84 HydrophobicContact CG2-CD1 4.41Å; R79-I84 HydrophobicContact CB-CB 4.47Å; R79-I84 HydrophobicContact CG-CB 4.03Å; R79-I84 WeakPolarHBondContact CG-O 3.33Å; R79-I84 PolarHBondContact O-N 2.92Å; F82-I84 VanDerWaalsContact C-N 3.25Å; F82-I84 HydrophobicContact CB-CD1 4.05Å; F82-I84 HydrophobicContact CB-CG1 3.54Å; F82-I84 HydrophobicContact CD2-CD1 4.18Å; F82-I84 PolarHBondContact O-N 3.21Å; F82-I84 VanDerWaalsContact O-N 3.12Å; I84-F110 HydrophobicContact CD1-CB 4.46Å; I84-C114 HydrophobicContact CD1-CB 3.67Å; I84-C114 HydrophobicContact CG2-CB 4.25Å; I84-T121 HydrophobicContact CB-CG2 4.29Å; I84-T121 HydrophobicContact CG2-CG2 4.07Å; I84-T121 WeakPolarHBondContact O-CG2 3.4Å; I84-I274 CarbonylContact C-O 3.6Å; I84-I274 VanDerWaalsContact CA-O 3.27Å; I84-I274 WeakPolarHBondContact CA-O 3.36Å; I84-I274 HydrophobicContact CD1-CD1 4.36Å; I84-I274 HydrophobicContact CG1-CB 4.22Å; I84-I274 HydrophobicContact CG1-CD1 4.32Å | ||
| 85 | T | 97.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 155 | 178 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | P83 N115 I274 A275 T276 | P83-T85 PolarHBondContact O-N 3.1Å; T85-N115 PolarHBondContact O-ND2 3.49Å; T85-I274 PolarHBondContact N-O 3.39Å; T85-A275 WeakPolarHBondContact OG1-CB 3.32Å; T85-T276 PolarHBondContact O-N 3.07Å |
| 86 | I | 97.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.7 | 171.8 | -172.5 | 165.8 | 0 | 0 | 0 | 109.3 | N115 F116 F123 F127 T276 V278 | I86-N115 HydrophobicContact CD1-CB 4.13Å; I86-F116 HydrophobicContact CD1-CE1 4.03Å; I86-F123 HydrophobicContact CD1-CD2 4.04Å; I86-F123 HydrophobicContact CD1-CE2 4.31Å; I86-F127 HydrophobicContact CD1-CE2 3.69Å; I86-F127 HydrophobicContact CG1-CE2 4.24Å; I86-T276 CarbonylContact C-O 3.42Å; I86-T276 WeakPolarHBondContact CA-O 3.2Å; I86-V278 HydrophobicContact CD1-CG2 4.02Å; I86-V278 HydrophobicContact CG1-CG2 4.06Å |
| 87 | L | 97.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.3 | 177 | 179.8 | 64.8 | 0 | 0 | 0 | 109.2 | T276 V277 V278 | L87-T276 PolarHBondContact N-O 3.21Å; L87-V277 HydrophobicContact CB-CG2 4.41Å; L87-V277 HydrophobicContact CD2-CG1 4.21Å; L87-V277 HydrophobicContact CD2-CG2 4.26Å; L87-V278 PolarHBondContact O-N 3.46Å |
| 88 | K | 96.1 | Very high | 96.7 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 27% | 0.274 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.8 | 172.8 | 177.5 | 178.4 | 70.8 | 177.8 | 0 | 109.6 | K90 D91 T126 F127 | K88-K90 WeakPolarHBondContact CD-O 3.44Å; K88-K90 WeakPolarHBondContact CG-O 3.39Å; K88-D91 VanDerWaalsContact CE-OD1 3.25Å; K88-D91 WeakPolarHBondContact CE-OD1 3.43Å; K88-D91 IonicContact NZ-OD1 2.57Å; K88-D91 PolarHBondContact NZ-OD1 3.22Å; K88-T126 HydrophobicContact CB-CG2 3.8Å; K88-T126 HydrophobicContact CD-CG2 4.35Å; K88-T126 WeakPolarHBondContact CD-O 3.2Å; K88-T126 WeakPolarHBondContact CE-O 3.33Å; K88-T126 PolarHBondContact NZ-O 2.65Å; K88-F127 HydrophobicContact CB-CE1 3.97Å; K88-F127 HydrophobicContact CB-CE2 4.44Å; K88-F127 HydrophobicContact CB-CZ 3.68Å; K88-F127 HydrophobicContact CD-CD1 3.72Å; K88-F127 HydrophobicContact CD-CE1 3.39Å; K88-F127 HydrophobicContact CD-CZ 3.96Å; K88-F127 HydrophobicContact CG-CD1 4.3Å; K88-F127 HydrophobicContact CG-CE1 3.46Å; K88-F127 VanDerWaalsContact CG-CE1 3.46Å; K88-F127 HydrophobicContact CG-CZ 3.73Å |
| 89 | T | 96.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 52 Ų | 52 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -86.9 | -29.8 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | V277 V278 G279 E280 L309 | T89-V277 HydrophobicContact CG2-CG1 3.83Å; T89-V278 WeakPolarHBondContact CB-O 3.28Å; T89-V278 WeakPolarHBondContact CG2-O 3.22Å; T89-V278 PolarHBondContact N-O 3.2Å; T89-V278 PolarHBondContact OG1-O 2.81Å; T89-G279 WeakPolarHBondContact OG1-CA 3.4Å; T89-E280 PolarHBondContact OG1-N 2.91Å; T89-L309 HydrophobicContact CG2-CD1 4.04Å |
| 90 | K | 96.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 48.7 Ų | 48.7 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -147 | 152.5 | 177.8 | -159.8 | 171.6 | -169.4 | 178.4 | 0 | 111.4 | K88 E280 | K88-K90 WeakPolarHBondContact CD-O 3.44Å; K88-K90 WeakPolarHBondContact CG-O 3.39Å; K90-E280 HydrophobicContact CB-CB 4.48Å; K90-E280 HydrophobicContact CD-CB 4.39Å; K90-E280 HydrophobicContact CD-CG 3.7Å; K90-E280 WeakPolarHBondContact CD-OE1 3.41Å; K90-E280 IonicContact NZ-OE1 2.62Å; K90-E280 PolarHBondContact NZ-OE1 3.05Å |
| 91 | D | 96.5 | Very high | 96.9 | Very high | 113 Ų | 113 | 44.6 Ų | 44.6 | 60% | 0.604 | 24% | 0.237 | S | C | * | . | trans | -64.4 | 142.3 | 172.7 | -70.4 | -43.3 | 0 | 0 | 0 | 112 | K88 | K88-D91 VanDerWaalsContact CE-OD1 3.25Å; K88-D91 WeakPolarHBondContact CE-OD1 3.43Å; K88-D91 IonicContact NZ-OD1 2.57Å; K88-D91 PolarHBondContact NZ-OD1 3.22Å | ||
| 92 | L | 97.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | trans | -106.3 | 120.3 | 171.8 | -57.3 | -174.8 | 0 | 0 | 0 | 107.3 | Y98 F127 I130 L174 V215 P281 | L92-Y98 HydrophobicContact CB-CE1 4.34Å; L92-Y98 HydrophobicContact CB-CE2 3.88Å; L92-Y98 HydrophobicContact CD2-CD1 4.2Å; L92-Y98 HydrophobicContact CD2-CE1 3.8Å; L92-F127 HydrophobicContact CB-CD1 4.24Å; L92-F127 HydrophobicContact CD1-CD1 3.64Å; L92-F127 HydrophobicContact CD1-CE1 3.72Å; L92-F127 HydrophobicContact CG-CD1 3.79Å; L92-F127 HydrophobicContact CG-CE1 3.88Å; L92-I130 HydrophobicContact CB-CD1 4.06Å; L92-I130 HydrophobicContact CB-CG1 4.01Å; L92-L174 HydrophobicContact CD1-CD1 3.56Å; L92-V215 HydrophobicContact CD2-CG2 4.46Å; L92-P281 HydrophobicContact CD2-CB 4.05Å; L92-P281 HydrophobicContact CD2-CG 3.75Å | ||
| 93 | S | 97.5 | Very high | 96.7 | Very high | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | trans | -73.4 | 132.8 | 177 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | E95 H96 Y98 | S93-E95 PolarHBondContact O-N 2.92Å; S93-E95 VanDerWaalsContact O-N 3.11Å; S93-E95 WeakPolarHBondContact OG-CB 3.46Å; S93-E95 WeakPolarHBondContact OG-CG 3.27Å; S93-E95 PolarHBondContact OG-N 2.76Å; S93-H96 PolarHBondContact O-N 3.25Å; S93-Y98 PolarHBondContact N-OH 3.18Å; S93-Y98 VanDerWaalsContact O-CE2 3.3Å; S93-Y98 WeakPolarHBondContact O-CE2 3.41Å; S93-Y98 PolarHBondContact O-OH 3.46Å | ||
| 94 | P | 97.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 41.2 Ų | 41.2 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -4.5 | 174.2 | 31 | -36.1 | 0 | 0 | 0 | 113.6 | H96 I130 T171 G172 | P94-H96 VanDerWaalsContact C-N 3.28Å; P94-I130 HydrophobicContact CB-CD1 4.4Å; P94-T171 CarbonylContact O-C 3.6Å; P94-T171 VanDerWaalsContact O-CB 3.3Å; P94-T171 WeakPolarHBondContact O-CB 3.12Å; P94-T171 PolarHBondContact O-OG1 3.15Å; P94-G172 WeakPolarHBondContact O-CA 3.44Å; P94-G172 PolarHBondContact O-N 2.93Å |
| 95 | E | 97.1 | Very high | 95.6 | Very high | 143 Ų | 143 | 42.7 Ų | 42.7 | 67% | 0.668 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15.5 | 175.2 | -60.4 | 178 | 168.6 | 0 | 0 | 112.8 | S93 T171 | S93-E95 PolarHBondContact O-N 2.92Å; S93-E95 VanDerWaalsContact O-N 3.11Å; S93-E95 WeakPolarHBondContact OG-CB 3.46Å; S93-E95 WeakPolarHBondContact OG-CG 3.27Å; S93-E95 PolarHBondContact OG-N 2.76Å; E95-T171 WeakPolarHBondContact O-CG2 3.43Å |
| 96 | H | 97.3 | Very high | 94.8 | Very high | 76 Ų | 76 | 39.4 Ų | 39.4 | 35% | 0.352 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -117.8 | 156.1 | -179.1 | -57.8 | -55.8 | 0 | 0 | 0 | 111.7 | S93 P94 Y98 G172 H213 | S93-H96 PolarHBondContact O-N 3.25Å; P94-H96 VanDerWaalsContact C-N 3.28Å; H96-Y98 HydrophobicContact CB-CE2 4.2Å; H96-Y98 VanDerWaalsContact O-CE2 3.27Å; H96-Y98 WeakPolarHBondContact O-CE2 3.45Å; H96-G172 WeakPolarHBondContact O-CA 3.43Å; H96-G172 PolarHBondContact O-N 3.37Å; H96-G172 VanDerWaalsContact O-N 3.09Å; H96-H213 AromaticContact CD2-CE1 3.67Å; H96-H213 AromaticContact CG-CE1 3.79Å |
| 97 | N | 98.3 | Very high | 94 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | trans | -96.5 | 151.1 | 167.4 | -73.1 | -33.4 | 0 | 0 | 0 | 110.3 | L167 S170 T171 G172 N173 A212 H213 | N97-L167 HydrophobicContact CB-CD2 3.83Å; N97-L167 PolarHBondContact ND2-O 2.95Å; N97-S170 PolarHBondContact ND2-O 2.94Å; N97-S170 PolarHBondContact OD1-O 2.96Å; N97-S170 VanDerWaalsContact OD1-O 3.08Å; N97-T171 VanDerWaalsContact OD1-C 3.25Å; N97-T171 VanDerWaalsContact OD1-CA 3.24Å; N97-T171 WeakPolarHBondContact OD1-CA 3.12Å; N97-G172 PolarHBondContact OD1-N 3.14Å; N97-G172 VanDerWaalsContact OD1-N 3.11Å; N97-N173 CarbonylContact C-O 3.52Å; N97-N173 WeakPolarHBondContact CA-O 3.32Å; N97-N173 WeakPolarHBondContact OD1-CB 3.1Å; N97-N173 PolarHBondContact OD1-N 3.48Å; N97-A212 HydrophobicContact CB-CB 4.29Å; N97-A212 CarbonylContact O-C 3.54Å; N97-A212 VanDerWaalsContact O-CA 3.29Å; N97-A212 WeakPolarHBondContact O-CA 3.47Å; N97-H213 PolarHBondContact O-N 2.85Å | ||
| 98 | Y | 98.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.1 | -174.2 | -60 | -84 | 0 | 0 | 0 | 110.5 | L92 S93 H96 I130 N173 L174 V175 H213 V215 P281 | L92-Y98 HydrophobicContact CB-CE1 4.34Å; L92-Y98 HydrophobicContact CB-CE2 3.88Å; L92-Y98 HydrophobicContact CD2-CD1 4.2Å; L92-Y98 HydrophobicContact CD2-CE1 3.8Å; S93-Y98 PolarHBondContact N-OH 3.18Å; S93-Y98 VanDerWaalsContact O-CE2 3.3Å; S93-Y98 WeakPolarHBondContact O-CE2 3.41Å; S93-Y98 PolarHBondContact O-OH 3.46Å; H96-Y98 HydrophobicContact CB-CE2 4.2Å; H96-Y98 VanDerWaalsContact O-CE2 3.27Å; H96-Y98 WeakPolarHBondContact O-CE2 3.45Å; Y98-I130 HydrophobicContact CD2-CD1 4.33Å; Y98-I130 HydrophobicContact CE2-CD1 3.88Å; Y98-N173 PolarHBondContact N-O 3.22Å; Y98-L174 WeakPolarHBondContact O-CA 3.38Å; Y98-V175 PolarHBondContact O-N 3.31Å; Y98-H213 CarbonylContact C-O 3.55Å; Y98-H213 VanDerWaalsContact CA-O 3.3Å; Y98-H213 WeakPolarHBondContact CA-O 3.34Å; Y98-H213 HydrophobicContact CD1-CB 3.68Å; Y98-H213 HydrophobicContact CE1-CB 3.79Å; Y98-V215 HydrophobicContact CD1-CG2 3.55Å; Y98-V215 HydrophobicContact CE1-CG2 4.49Å; Y98-V215 HydrophobicContact CG-CG2 4.11Å; Y98-P281 HydrophobicContact CD1-CB 4.17Å; Y98-P281 HydrophobicContact CE1-CB 3.8Å; Y98-P281 HydrophobicContact CE1-CG 4.34Å |
| 99 | L | 98 | Very high | 93 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.3 | 166.2 | -160.5 | 164.6 | 0 | 0 | 0 | 108 | I163 L167 I177 F203 T206 A207 H213 L214 V215 | L99-I163 HydrophobicContact CD1-CG2 4.38Å; L99-L167 HydrophobicContact CD1-CD1 4.34Å; L99-I177 HydrophobicContact CD1-CD1 4.02Å; L99-I177 HydrophobicContact CD2-CD1 3.83Å; L99-I177 HydrophobicContact CD2-CG1 4.09Å; L99-I177 HydrophobicContact CG-CD1 4.07Å; L99-I177 HydrophobicContact CG-CG1 4.49Å; L99-F203 HydrophobicContact CD1-CB 4.33Å; L99-F203 HydrophobicContact CD2-CB 3.81Å; L99-F203 HydrophobicContact CD2-CD2 3.81Å; L99-F203 HydrophobicContact CD2-CG 4.24Å; L99-T206 HydrophobicContact CD1-CG2 4.33Å; L99-A207 HydrophobicContact CB-CB 4.35Å; L99-A207 HydrophobicContact CD1-CB 4.41Å; L99-H213 PolarHBondContact N-O 3.41Å; L99-L214 HydrophobicContact CB-CD2 4.26Å; L99-L214 HydrophobicContact CD2-CD2 4.43Å; L99-L214 WeakPolarHBondContact O-CA 3.13Å; L99-V215 PolarHBondContact O-N 3.04Å |
| 100 | M | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.2 | -176.5 | 175.3 | -174.5 | -78.1 | 0 | 0 | 110 | V102 F116 L174 V175 G176 I177 V215 T217 V278 | M100-V102 HydrophobicContact CG-CG2 4.18Å; M100-V102 HydrophobicContact SD-CG2 4.11Å; M100-F116 HydrophobicContact CE-CE1 4.03Å; M100-F116 HydrophobicContact CE-CZ 4.13Å; M100-F116 HydrophobicContact SD-CE1 3.72Å; M100-F116 HydrophobicContact SD-CE2 3.96Å; M100-F116 HydrophobicContact SD-CZ 3.4Å; M100-F116 WeakPolarHBondContact SD-CZ 3.39Å; M100-L174 HydrophobicContact CB-CD2 3.98Å; M100-L174 HydrophobicContact CB-CG 4.4Å; M100-L174 HydrophobicContact CE-CD1 3.72Å; M100-L174 HydrophobicContact CE-CD2 3.82Å; M100-L174 HydrophobicContact CE-CG 4.23Å; M100-L174 HydrophobicContact SD-CD2 3.9Å; M100-V175 PolarHBondContact N-O 2.8Å; M100-G176 CarbonylContact O-C 3.5Å; M100-G176 WeakPolarHBondContact O-CA 3.47Å; M100-I177 PolarHBondContact O-N 2.87Å; M100-V215 WeakPolarHBondContact CA-O 3.45Å; M100-V215 HydrophobicContact CB-CB 4.17Å; M100-V215 HydrophobicContact CE-CB 4.44Å; M100-V215 HydrophobicContact CE-CG1 3.93Å; M100-V215 HydrophobicContact CG-CB 4.4Å; M100-T217 WeakPolarHBondContact CE-OG1 3.34Å; M100-T217 VanDerWaalsContact CG-OG1 3.32Å; M100-T217 WeakPolarHBondContact CG-OG1 3.38Å; M100-T217 HydrophobicContact SD-CG2 4.03Å; M100-T217 PolarHBondContact SD-OG1 2.75Å; M100-V278 HydrophobicContact CE-CB 4.46Å; M100-V278 HydrophobicContact CE-CG1 3.73Å; M100-V278 HydrophobicContact CE-CG2 3.94Å |
| 101 | G | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | H103 I177 V215 T217 Y302 | G101-H103 VanDerWaalsContact C-CD2 3.44Å; G101-H103 PolarHBondContact O-CD2 3.33Å; G101-I177 WeakPolarHBondContact CA-O 3.49Å; G101-V215 PolarHBondContact N-O 3.44Å; G101-T217 WeakPolarHBondContact O-CB 3.03Å; G101-T217 PolarHBondContact O-N 2.66Å; G101-Y302 WeakPolarHBondContact CA-OH 3.18Å; G101-Y302 PolarHBondContact O-OH 2.78Å |
| 102 | V | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | M100 A112 F116 L134 I177 V178 | M100-V102 HydrophobicContact CG-CG2 4.18Å; M100-V102 HydrophobicContact SD-CG2 4.11Å; V102-A112 HydrophobicContact CG1-CB 3.72Å; V102-F116 HydrophobicContact CG1-CE2 4.5Å; V102-F116 HydrophobicContact CG2-CD2 4.41Å; V102-F116 HydrophobicContact CG2-CE2 4.01Å; V102-L134 HydrophobicContact CG2-CD1 4.35Å; V102-I177 PolarHBondContact N-O 3.48Å; V102-V178 HydrophobicContact CB-CG2 4.29Å |
| 103 | H | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.6 | -177.4 | -54 | -84.1 | 0 | 0 | 0 | 110.6 | G101 L195 T217 F218 T219 Y302 | G101-H103 VanDerWaalsContact C-CD2 3.44Å; G101-H103 PolarHBondContact O-CD2 3.33Å; H103-L195 HydrophobicContact CB-CD1 3.66Å; H103-L195 HydrophobicContact CB-CD2 4Å; H103-L195 HydrophobicContact CB-CG 4.47Å; H103-T217 PolarHBondContact CD2-O 3.29Å; H103-T217 PolarHBondContact N-O 2.86Å; H103-F218 HydrophobicContact CB-CD2 4.29Å; H103-F218 CarbonylContact O-C 3.56Å; H103-F218 VanDerWaalsContact O-CA 3.31Å; H103-F218 WeakPolarHBondContact O-CA 3.43Å; H103-T219 PolarHBondContact O-N 2.65Å; H103-Y302 PolarHBondContact CD2-OH 3.28Å; H103-Y302 AromaticContact NE2-CE1 3.95Å; H103-Y302 AromaticContact NE2-CZ 3.86Å; H103-Y302 PolarHBondContact NE2-OH 2.85Å |
| 104 | P | 90.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 22.1 Ų | 22.1 | 7% | 0.071 | 11% | 0.114 | C | C | . | . | S | Bend | cis | -75.1 | 164.3 | -19.3 | 32.3 | -32.3 | 0 | 0 | 0 | 112.4 | G106 E184 L195 T219 E222 T223 | P104-G106 PolarHBondContact O-N 2.94Å; P104-G106 VanDerWaalsContact O-N 3.15Å; P104-E184 VanDerWaalsContact C-OE1 3.3Å; P104-E184 WeakPolarHBondContact CA-OE1 3.27Å; P104-L195 HydrophobicContact CB-CD2 3.63Å; P104-T219 WeakPolarHBondContact CD-O 3.47Å; P104-E222 HydrophobicContact CG-CB 4.39Å; P104-T223 HydrophobicContact CB-CG2 4.06Å; P104-T223 HydrophobicContact CG-CG2 3.69Å |
| 105 | H | 80.7 | Confident | 92.4 | Very high | 37 Ų | 37 | 19.3 Ų | 19.3 | 17% | 0.171 | 10% | 0.096 | C | C | . | . | trans | -75.4 | 91.7 | 166.9 | -162.9 | -47.1 | 0 | 0 | 0 | 110.1 | V178 G181 E184 A185 | H105-V178 HydrophobicContact CB-CG1 3.4Å; H105-V178 VanDerWaalsContact CB-CG1 3.4Å; H105-V178 WeakPolarHBondContact CD2-CG1 3.4Å; H105-V178 VanDerWaalsContact CG-CG1 3.44Å; H105-G181 PolarHBondContact CD2-O 2.84Å; H105-G181 VanDerWaalsContact CD2-O 3.23Å; H105-E184 HydrophobicContact CB-CB 3.92Å; H105-E184 HydrophobicContact CB-CG 4.02Å; H105-E184 PolarHBondContact N-OE1 2.81Å; H105-A185 WeakPolarHBondContact ND1-CB 3.46Å | ||
| 106 | G | 79.5 | Confident | 92.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -65.1 | 168.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P104 L108 T109 | P104-G106 PolarHBondContact O-N 2.94Å; P104-G106 VanDerWaalsContact O-N 3.15Å; G106-L108 PolarHBondContact O-N 3.33Å; G106-T109 WeakPolarHBondContact O-CG2 3.29Å | ||
| 107 | L | 81.3 | Confident | 92.3 | Very high | 27 Ų | 27 | 9 Ų | 9 | 14% | 0.141 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -59 | -47.2 | -178.7 | -79.3 | 168.5 | 0 | 0 | 0 | 113.5 | Y226 Q228 C253 F255 | L107-Y226 HydrophobicContact CD1-CD2 4.39Å; L107-Y226 HydrophobicContact CD1-CG 4.32Å; L107-Q228 HydrophobicContact CD1-CB 4.29Å; L107-C253 HydrophobicContact CD2-CB 3.74Å; L107-F255 HydrophobicContact CD1-CB 3.42Å; L107-F255 VanDerWaalsContact CD1-CB 3.42Å; L107-F255 HydrophobicContact CD1-CD1 4.14Å; L107-F255 HydrophobicContact CD1-CD2 4.17Å; L107-F255 HydrophobicContact CD1-CG 3.66Å; L107-F255 HydrophobicContact CD2-CD1 4.41Å |
| 108 | L | 84.4 | Confident | 92.2 | Very high | 57 Ų | 57 | 8.2 Ų | 8.2 | 30% | 0.298 | 4% | 0.043 | S | C | . | . | S | Bend | trans | -113.8 | -3.1 | 178.9 | -61.8 | -175 | 0 | 0 | 0 | 113.5 | W18 G106 F110 Y226 | W18-L108 HydrophobicContact CZ3-CB 4.32Å; W18-L108 WeakPolarHBondContact CZ3-O 3.25Å; G106-L108 PolarHBondContact O-N 3.33Å; L108-F110 HydrophobicContact CB-CD2 4.13Å; L108-F110 HydrophobicContact CB-CE2 3.83Å; L108-F110 HydrophobicContact CB-CZ 4.14Å; L108-F110 HydrophobicContact CD1-CE2 3.91Å; L108-F110 HydrophobicContact CD1-CZ 3.75Å; L108-F110 HydrophobicContact CG-CE2 4.41Å; L108-F110 PolarHBondContact O-N 3.27Å; L108-Y226 HydrophobicContact CD1-CE2 3.87Å; L108-Y226 HydrophobicContact CG-CE2 4.27Å |
| 109 | T | 88.3 | Confident | 92.1 | Very high | 25 Ų | 25 | 9.5 Ų | 9.5 | 15% | 0.153 | 5% | 0.05 | C | C | . | . | trans | 52.8 | 47.7 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | G106 G111 A112 F113 E222 | G106-T109 WeakPolarHBondContact O-CG2 3.29Å; T109-G111 VanDerWaalsContact C-N 3.34Å; T109-G111 PolarHBondContact O-N 3.2Å; T109-A112 PolarHBondContact O-N 3.27Å; T109-F113 WeakPolarHBondContact O-CB 3.21Å; T109-F113 PolarHBondContact O-N 3.5Å; T109-E222 WeakPolarHBondContact CA-OE1 3.28Å; T109-E222 PolarHBondContact N-OE1 2.86Å | ||
| 110 | F | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 0% | 0.004 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | -174.9 | -77 | -71.8 | 0 | 0 | 0 | 112 | W18 I78 F82 I84 L108 F113 C114 E222 V225 Y226 P269 I274 | W18-F110 HydrophobicContact CE3-CD1 4.11Å; W18-F110 AromaticContact CE3-CE1 3.71Å; W18-F110 HydrophobicContact CE3-CE1 3.71Å; W18-F110 HydrophobicContact CE3-CZ 4.46Å; W18-F110 HydrophobicContact CH2-CD1 4.47Å; W18-F110 AromaticContact CZ3-CD1 3.65Å; W18-F110 HydrophobicContact CZ3-CD1 3.65Å; W18-F110 AromaticContact CZ3-CE1 3.71Å; W18-F110 HydrophobicContact CZ3-CE1 3.71Å; W18-F110 HydrophobicContact CZ3-CG 4.4Å; I78-F110 HydrophobicContact CG2-CD1 4.03Å; F82-F110 HydrophobicContact CD2-CB 4.38Å; F82-F110 HydrophobicContact CD2-CG 4.38Å; F82-F110 HydrophobicContact CE2-CB 4.09Å; F82-F110 AromaticContact CE2-CD1 3.8Å; F82-F110 HydrophobicContact CE2-CD1 3.8Å; F82-F110 AromaticContact CE2-CD2 3.77Å; F82-F110 HydrophobicContact CE2-CD2 3.77Å; F82-F110 HydrophobicContact CE2-CE1 4.1Å; F82-F110 HydrophobicContact CE2-CE2 4.05Å; F82-F110 AromaticContact CE2-CG 3.63Å; F82-F110 HydrophobicContact CE2-CG 3.63Å; F82-F110 HydrophobicContact CE2-CZ 4.21Å; F82-F110 HydrophobicContact CZ-CD1 4.42Å; F82-F110 AromaticContact CZ-CD2 3.61Å; F82-F110 HydrophobicContact CZ-CD2 3.61Å; F82-F110 AromaticContact CZ-CE2 3.7Å; F82-F110 HydrophobicContact CZ-CE2 3.7Å; F82-F110 AromaticContact CZ-CG 3.98Å; F82-F110 HydrophobicContact CZ-CG 3.98Å; F82-F110 HydrophobicContact CZ-CZ 4.18Å; I84-F110 HydrophobicContact CD1-CB 4.46Å; L108-F110 HydrophobicContact CB-CD2 4.13Å; L108-F110 HydrophobicContact CB-CE2 3.83Å; L108-F110 HydrophobicContact CB-CZ 4.14Å; L108-F110 HydrophobicContact CD1-CE2 3.91Å; L108-F110 HydrophobicContact CD1-CZ 3.75Å; L108-F110 HydrophobicContact CG-CE2 4.41Å; L108-F110 PolarHBondContact O-N 3.27Å; F110-F113 PolarHBondContact O-N 3.26Å; F110-C114 WeakPolarHBondContact O-CB 3.36Å; F110-C114 PolarHBondContact O-N 3.27Å; F110-E222 PolarHBondContact N-OE1 3.37Å; F110-V225 HydrophobicContact CD2-CG2 4.35Å; F110-Y226 AromaticContact CE2-CE2 3.94Å; F110-Y226 HydrophobicContact CE2-CE2 3.94Å; F110-P269 HydrophobicContact CE2-CB 4.28Å; F110-P269 HydrophobicContact CE2-CG 4.32Å; F110-P269 HydrophobicContact CZ-CG 4.42Å; F110-I274 HydrophobicContact CB-CD1 4.01Å |
| 111 | G | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.1 | -55.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T109 F113 C114 N115 E222 | T109-G111 VanDerWaalsContact C-N 3.34Å; T109-G111 PolarHBondContact O-N 3.2Å; G111-F113 VanDerWaalsContact C-N 3.27Å; G111-F113 PolarHBondContact O-N 2.93Å; G111-C114 PolarHBondContact O-N 3.18Å; G111-N115 WeakPolarHBondContact O-CB 3.47Å; G111-N115 VanDerWaalsContact O-CG 3.3Å; G111-N115 PolarHBondContact O-N 2.84Å; G111-N115 PolarHBondContact O-ND2 2.86Å; G111-E222 WeakPolarHBondContact CA-OE2 3.48Å; G111-E222 PolarHBondContact N-OE2 3.4Å |
| 112 | A | 93.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 2% | 0.017 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.1 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V102 T109 F116 L134 | V102-A112 HydrophobicContact CG1-CB 3.72Å; T109-A112 PolarHBondContact O-N 3.27Å; A112-F116 HydrophobicContact CB-CD2 4.14Å; A112-F116 HydrophobicContact CB-CE2 4.33Å; A112-F116 WeakPolarHBondContact O-CB 3.33Å; A112-F116 WeakPolarHBondContact O-CD2 3.3Å; A112-F116 PolarHBondContact O-N 3.45Å; A112-L134 HydrophobicContact CB-CD2 4.47Å |
| 113 | F | 94.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.6 | -52.9 | 177.1 | 170 | -106.1 | 0 | 0 | 0 | 113.1 | W18 W75 T109 F110 G111 N115 F116 C117 T118 K153 | W18-F113 AromaticContact CE2-CD1 3.74Å; W18-F113 AromaticContact CE2-CE1 3.56Å; W18-F113 AromaticContact CE2-CZ 3.73Å; W18-F113 HydrophobicContact CH2-CB 3.36Å; W18-F113 AromaticContact CH2-CD1 3.42Å; W18-F113 HydrophobicContact CH2-CD1 3.42Å; W18-F113 VanDerWaalsContact CH2-CD1 3.42Å; W18-F113 AromaticContact CH2-CD2 3.95Å; W18-F113 HydrophobicContact CH2-CD2 3.95Å; W18-F113 HydrophobicContact CH2-CE1 4.13Å; W18-F113 AromaticContact CH2-CG 3.29Å; W18-F113 HydrophobicContact CH2-CG 3.29Å; W18-F113 HydrophobicContact CZ2-CB 3.62Å; W18-F113 AromaticContact CZ2-CD1 3.01Å; W18-F113 HydrophobicContact CZ2-CD1 3.01Å; W18-F113 AromaticContact CZ2-CD2 3.25Å; W18-F113 HydrophobicContact CZ2-CD2 3.25Å; W18-F113 AromaticContact CZ2-CE1 3.29Å; W18-F113 HydrophobicContact CZ2-CE1 3.29Å; W18-F113 AromaticContact CZ2-CE2 3.52Å; W18-F113 HydrophobicContact CZ2-CE2 3.52Å; W18-F113 AromaticContact CZ2-CG 2.97Å; W18-F113 HydrophobicContact CZ2-CG 2.97Å; W18-F113 AromaticContact CZ2-CZ 3.54Å; W18-F113 HydrophobicContact CZ2-CZ 3.54Å; W18-F113 HydrophobicContact CZ3-CD1 4.46Å; W18-F113 AromaticContact NE1-CE1 3.59Å; W18-F113 AromaticContact NE1-CZ 3.45Å; W75-F113 HydrophobicContact CD2-CE1 4.08Å; W75-F113 HydrophobicContact CD2-CZ 4.21Å; W75-F113 AromaticContact CE3-CE1 3.57Å; W75-F113 HydrophobicContact CE3-CE1 3.57Å; W75-F113 AromaticContact CE3-CZ 3.97Å; W75-F113 HydrophobicContact CE3-CZ 3.97Å; W75-F113 HydrophobicContact CH2-CE1 4.34Å; W75-F113 HydrophobicContact CH2-CZ 4.01Å; W75-F113 HydrophobicContact CZ2-CZ 4.2Å; W75-F113 AromaticContact CZ3-CE1 3.74Å; W75-F113 HydrophobicContact CZ3-CE1 3.74Å; W75-F113 AromaticContact CZ3-CZ 3.89Å; W75-F113 HydrophobicContact CZ3-CZ 3.89Å; T109-F113 WeakPolarHBondContact O-CB 3.21Å; T109-F113 PolarHBondContact O-N 3.5Å; F110-F113 PolarHBondContact O-N 3.26Å; G111-F113 VanDerWaalsContact C-N 3.27Å; G111-F113 PolarHBondContact O-N 2.93Å; F113-N115 PolarHBondContact O-N 3.33Å; F113-F116 PolarHBondContact O-N 2.94Å; F113-C117 HydrophobicContact CD2-CB 3.26Å; F113-C117 HydrophobicContact CE2-CB 3.42Å; F113-C117 VanDerWaalsContact CE2-CB 3.42Å; F113-C117 HydrophobicContact CG-CB 4.19Å; F113-C117 HydrophobicContact CZ-CB 4.43Å; F113-C117 WeakPolarHBondContact O-CA 3.47Å; F113-C117 WeakPolarHBondContact O-CB 3.28Å; F113-C117 PolarHBondContact O-N 2.72Å; F113-T118 HydrophobicContact CD1-CG2 4.16Å; F113-T118 HydrophobicContact CE1-CG2 3.53Å; F113-T118 HydrophobicContact CE2-CG2 4.06Å; F113-T118 HydrophobicContact CZ-CG2 3.47Å; F113-T118 VanDerWaalsContact CZ-CG2 3.47Å; F113-T118 PolarHBondContact O-N 3.25Å; F113-K153 HydrophobicContact CE2-CB 4.18Å; F113-K153 HydrophobicContact CE2-CD 3.66Å; F113-K153 HydrophobicContact CE2-CG 4.3Å; F113-K153 HydrophobicContact CZ-CD 3.83Å |
| 114 | C | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.5 | -38.3 | -178.7 | -83.4 | 0 | 0 | 0 | 0 | 110.9 | I84 F110 G111 T118 | I84-C114 HydrophobicContact CD1-CB 3.67Å; I84-C114 HydrophobicContact CG2-CB 4.25Å; F110-C114 WeakPolarHBondContact O-CB 3.36Å; F110-C114 PolarHBondContact O-N 3.27Å; G111-C114 PolarHBondContact O-N 3.18Å; C114-T118 PolarHBondContact O-OG1 2.85Å |
| 115 | N | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -73.7 | -43.9 | -179.3 | -74.6 | -26.4 | 0 | 0 | 0 | 114.2 | T85 I86 G111 F113 T121 F123 T276 | T85-N115 PolarHBondContact O-ND2 3.49Å; I86-N115 HydrophobicContact CD1-CB 4.13Å; G111-N115 WeakPolarHBondContact O-CB 3.47Å; G111-N115 VanDerWaalsContact O-CG 3.3Å; G111-N115 PolarHBondContact O-N 2.84Å; G111-N115 PolarHBondContact O-ND2 2.86Å; F113-N115 PolarHBondContact O-N 3.33Å; N115-T121 WeakPolarHBondContact OD1-CB 3.22Å; N115-T121 WeakPolarHBondContact OD1-CG2 3.09Å; N115-T121 PolarHBondContact OD1-OG1 2.52Å; N115-F123 WeakPolarHBondContact O-CB 3.35Å; N115-F123 WeakPolarHBondContact O-CD2 3.26Å; N115-T276 WeakPolarHBondContact ND2-CB 3.23Å; N115-T276 PolarHBondContact ND2-OG1 2.9Å |
| 116 | F | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -106.7 | -19.9 | -169.5 | -53.1 | -54.9 | 0 | 0 | 0 | 113.9 | I86 M100 V102 A112 F113 F123 P132 L134 T217 T276 | I86-F116 HydrophobicContact CD1-CE1 4.03Å; M100-F116 HydrophobicContact CE-CE1 4.03Å; M100-F116 HydrophobicContact CE-CZ 4.13Å; M100-F116 HydrophobicContact SD-CE1 3.72Å; M100-F116 HydrophobicContact SD-CE2 3.96Å; M100-F116 HydrophobicContact SD-CZ 3.4Å; M100-F116 WeakPolarHBondContact SD-CZ 3.39Å; V102-F116 HydrophobicContact CG1-CE2 4.5Å; V102-F116 HydrophobicContact CG2-CD2 4.41Å; V102-F116 HydrophobicContact CG2-CE2 4.01Å; A112-F116 HydrophobicContact CB-CD2 4.14Å; A112-F116 HydrophobicContact CB-CE2 4.33Å; A112-F116 WeakPolarHBondContact O-CB 3.33Å; A112-F116 WeakPolarHBondContact O-CD2 3.3Å; A112-F116 PolarHBondContact O-N 3.45Å; F113-F116 PolarHBondContact O-N 2.94Å; F116-F123 HydrophobicContact CD1-CD2 4Å; F116-F123 AromaticContact CD1-CE2 3.63Å; F116-F123 HydrophobicContact CD1-CE2 3.63Å; F116-F123 HydrophobicContact CE1-CD2 4.37Å; F116-F123 AromaticContact CE1-CE2 3.87Å; F116-F123 HydrophobicContact CE1-CE2 3.87Å; F116-P132 HydrophobicContact CB-CB 4.25Å; F116-P132 WeakPolarHBondContact O-CB 3.44Å; F116-P132 VanDerWaalsContact O-CG 3.29Å; F116-P132 WeakPolarHBondContact O-CG 3.4Å; F116-L134 HydrophobicContact CB-CB 4.5Å; F116-L134 HydrophobicContact CD2-CD1 4.48Å; F116-T217 HydrophobicContact CZ-CG2 4.32Å; F116-T276 HydrophobicContact CZ-CG2 4.04Å |
| 117 | C | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -106.9 | -11.9 | -177.4 | -57 | 0 | 0 | 0 | 0 | 113.2 | R70 F113 L134 K153 V155 | R70-C117 VanDerWaalsContact CG-O 3.29Å; R70-C117 WeakPolarHBondContact CG-O 3.41Å; R70-C117 PolarHBondContact NE-O 2.81Å; F113-C117 HydrophobicContact CD2-CB 3.26Å; F113-C117 HydrophobicContact CE2-CB 3.42Å; F113-C117 VanDerWaalsContact CE2-CB 3.42Å; F113-C117 HydrophobicContact CG-CB 4.19Å; F113-C117 HydrophobicContact CZ-CB 4.43Å; F113-C117 WeakPolarHBondContact O-CA 3.47Å; F113-C117 WeakPolarHBondContact O-CB 3.28Å; F113-C117 PolarHBondContact O-N 2.72Å; C117-L134 WeakPolarHBondContact SG-CB 3.48Å; C117-K153 CarbonylContact C-O 3.58Å; C117-K153 VanDerWaalsContact CA-O 3.22Å; C117-K153 WeakPolarHBondContact CA-O 3.34Å; C117-K153 HydrophobicContact CB-CB 4.25Å; C117-K153 WeakPolarHBondContact CB-O 3.48Å; C117-V155 HydrophobicContact CB-CG2 4.47Å |
| 118 | T | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -129.5 | 174.5 | -177.8 | 83.4 | 0 | 0 | 0 | 0 | 110.9 | W75 F113 C114 A120 | W75-T118 HydrophobicContact CB-CG2 4.04Å; W75-T118 HydrophobicContact CD2-CG2 3.88Å; W75-T118 HydrophobicContact CG-CG2 3.6Å; F113-T118 HydrophobicContact CD1-CG2 4.16Å; F113-T118 HydrophobicContact CE1-CG2 3.53Å; F113-T118 HydrophobicContact CE2-CG2 4.06Å; F113-T118 HydrophobicContact CZ-CG2 3.47Å; F113-T118 VanDerWaalsContact CZ-CG2 3.47Å; F113-T118 PolarHBondContact O-N 3.25Å; C114-T118 PolarHBondContact O-OG1 2.85Å; T118-A120 WeakPolarHBondContact OG1-CB 3.26Å; T118-A120 PolarHBondContact OG1-N 2.57Å; T118-A120 VanDerWaalsContact OG1-N 3.14Å | ||
| 119 | E | 97 | Very high | 95.9 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 15% | 0.15 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -100.8 | 10.6 | 169.9 | -68.2 | -61.9 | 153.1 | 0 | 0 | 112.4 | R70 N71 T121 G122 S124 | R70-E119 IonicContact CZ-OE1 2.76Å; R70-E119 IonicContact NH1-OE1 2.65Å; R70-E119 PolarHBondContact NH1-OE1 3.24Å; R70-E119 IonicContact NH2-OE1 2.77Å; R70-E119 PolarHBondContact NH2-OE1 2.79Å; R70-E119 PolarHBondContact O-N 3.08Å; N71-E119 WeakPolarHBondContact OD1-CB 3.3Å; E119-T121 VanDerWaalsContact C-N 3.29Å; E119-T121 PolarHBondContact O-N 2.8Å; E119-G122 PolarHBondContact O-N 2.76Å; E119-S124 VanDerWaalsContact CD-OG 3.28Å; E119-S124 PolarHBondContact OE1-OG 3.17Å; E119-S124 WeakPolarHBondContact OE2-CB 3.31Å; E119-S124 PolarHBondContact OE2-N 2.98Å; E119-S124 PolarHBondContact OE2-OG 2.84Å |
| 120 | A | 97.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 7% | 0.066 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -38.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W75 R79 T118 G122 | W75-A120 HydrophobicContact CB-CB 3.8Å; W75-A120 WeakPolarHBondContact O-CB 3.45Å; R79-A120 HydrophobicContact CB-CB 4.17Å; R79-A120 WeakPolarHBondContact CD-O 3.33Å; R79-A120 PolarHBondContact NH1-O 3.32Å; T118-A120 WeakPolarHBondContact OG1-CB 3.26Å; T118-A120 PolarHBondContact OG1-N 2.57Å; T118-A120 VanDerWaalsContact OG1-N 3.14Å; A120-G122 VanDerWaalsContact C-N 3.35Å |
| 121 | T | 97.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 7.3 | 176 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | R79 I84 N115 E119 | R79-T121 HydrophobicContact CG-CG2 3.96Å; I84-T121 HydrophobicContact CB-CG2 4.29Å; I84-T121 HydrophobicContact CG2-CG2 4.07Å; I84-T121 WeakPolarHBondContact O-CG2 3.4Å; N115-T121 WeakPolarHBondContact OD1-CB 3.22Å; N115-T121 WeakPolarHBondContact OD1-CG2 3.09Å; N115-T121 PolarHBondContact OD1-OG1 2.52Å; E119-T121 VanDerWaalsContact C-N 3.29Å; E119-T121 PolarHBondContact O-N 2.8Å |
| 122 | G | 96.8 | Very high | 96.7 | Very high | 18 Ų | 18 | 26 Ų | 26 | 19% | 0.186 | 16% | 0.159 | C | C | . | . | trans | 69.2 | 36.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E119 A120 S124 K125 T126 | E119-G122 PolarHBondContact O-N 2.76Å; A120-G122 VanDerWaalsContact C-N 3.35Å; G122-S124 VanDerWaalsContact C-N 3.25Å; G122-S124 PolarHBondContact O-N 2.94Å; G122-S124 VanDerWaalsContact O-N 3.16Å; G122-K125 WeakPolarHBondContact O-CA 3.21Å; G122-K125 WeakPolarHBondContact O-CB 3.29Å; G122-K125 PolarHBondContact O-N 3.27Å; G122-T126 PolarHBondContact O-N 3.37Å; G122-T126 VanDerWaalsContact O-N 3.13Å; G122-T126 PolarHBondContact O-OG1 3.36Å | ||
| 123 | F | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -46.9 | -47.2 | -177.3 | -176.1 | -83.4 | 0 | 0 | 0 | 112.9 | I86 N115 F116 K125 T126 F127 I130 P132 L174 | I86-F123 HydrophobicContact CD1-CD2 4.04Å; I86-F123 HydrophobicContact CD1-CE2 4.31Å; N115-F123 WeakPolarHBondContact O-CB 3.35Å; N115-F123 WeakPolarHBondContact O-CD2 3.26Å; F116-F123 HydrophobicContact CD1-CD2 4Å; F116-F123 AromaticContact CD1-CE2 3.63Å; F116-F123 HydrophobicContact CD1-CE2 3.63Å; F116-F123 HydrophobicContact CE1-CD2 4.37Å; F116-F123 AromaticContact CE1-CE2 3.87Å; F116-F123 HydrophobicContact CE1-CE2 3.87Å; F123-K125 PolarHBondContact O-N 2.89Å; F123-T126 PolarHBondContact O-N 3.39Å; F123-F127 AromaticContact CD2-CD2 3.9Å; F123-F127 HydrophobicContact CD2-CD2 3.9Å; F123-F127 HydrophobicContact CD2-CE2 4.36Å; F123-F127 HydrophobicContact CE1-CB 3.92Å; F123-F127 HydrophobicContact CE1-CD2 4.23Å; F123-F127 HydrophobicContact CE1-CG 4.43Å; F123-F127 AromaticContact CE2-CD2 3.52Å; F123-F127 HydrophobicContact CE2-CD2 3.52Å; F123-F127 AromaticContact CE2-CE2 3.97Å; F123-F127 HydrophobicContact CE2-CE2 3.97Å; F123-F127 HydrophobicContact CE2-CG 4.3Å; F123-F127 HydrophobicContact CG-CD2 4.41Å; F123-F127 HydrophobicContact CZ-CB 4Å; F123-F127 AromaticContact CZ-CD2 3.7Å; F123-F127 HydrophobicContact CZ-CD2 3.7Å; F123-F127 HydrophobicContact CZ-CE2 4.49Å; F123-F127 HydrophobicContact CZ-CG 4.04Å; F123-F127 PolarHBondContact O-N 2.85Å; F123-I130 HydrophobicContact CE1-CB 4.34Å; F123-I130 HydrophobicContact CE1-CG2 4.17Å; F123-I130 HydrophobicContact CZ-CG2 4.18Å; F123-P132 HydrophobicContact CD1-CB 4.21Å; F123-P132 HydrophobicContact CD1-CG 3.57Å; F123-P132 HydrophobicContact CE1-CB 3.75Å; F123-P132 VanDerWaalsContact CE1-CD 3.48Å; F123-P132 HydrophobicContact CE1-CG 3.52Å; F123-P132 HydrophobicContact CE2-CB 4.17Å; F123-P132 HydrophobicContact CG-CG 4.13Å; F123-P132 HydrophobicContact CZ-CB 3.72Å; F123-P132 HydrophobicContact CZ-CG 4.02Å; F123-L174 HydrophobicContact CZ-CD1 4.42Å |
| 124 | S | 96.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 26.8 Ų | 26.8 | 38% | 0.378 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.9 | -22.7 | -178.2 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | E119 G122 P128 | E119-S124 VanDerWaalsContact CD-OG 3.28Å; E119-S124 PolarHBondContact OE1-OG 3.17Å; E119-S124 WeakPolarHBondContact OE2-CB 3.31Å; E119-S124 PolarHBondContact OE2-N 2.98Å; E119-S124 PolarHBondContact OE2-OG 2.84Å; G122-S124 VanDerWaalsContact C-N 3.25Å; G122-S124 PolarHBondContact O-N 2.94Å; G122-S124 VanDerWaalsContact O-N 3.16Å; S124-P128 WeakPolarHBondContact O-CA 3.3Å |
| 125 | K | 97.2 | Very high | 96.7 | Very high | 187 Ų | 187 | 27.1 Ų | 27.1 | 81% | 0.813 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -82 | -38.7 | 173.1 | -62.8 | -179.8 | 178.3 | 178.4 | 0 | 111.3 | G122 F123 | G122-K125 WeakPolarHBondContact O-CA 3.21Å; G122-K125 WeakPolarHBondContact O-CB 3.29Å; G122-K125 PolarHBondContact O-N 3.27Å; F123-K125 PolarHBondContact O-N 2.89Å |
| 126 | T | 97.4 | Very high | 96.5 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.2 | -38.8 | 179.5 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | K88 G122 F123 | K88-T126 HydrophobicContact CB-CG2 3.8Å; K88-T126 HydrophobicContact CD-CG2 4.35Å; K88-T126 WeakPolarHBondContact CD-O 3.2Å; K88-T126 WeakPolarHBondContact CE-O 3.33Å; K88-T126 PolarHBondContact NZ-O 2.65Å; G122-T126 PolarHBondContact O-N 3.37Å; G122-T126 VanDerWaalsContact O-N 3.13Å; G122-T126 PolarHBondContact O-OG1 3.36Å; F123-T126 PolarHBondContact O-N 3.39Å |
| 127 | F | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -125.2 | 75.7 | -179.7 | -59.5 | -83.4 | 0 | 0 | 0 | 110.5 | I86 K88 L92 F123 G129 I130 V278 | I86-F127 HydrophobicContact CD1-CE2 3.69Å; I86-F127 HydrophobicContact CG1-CE2 4.24Å; K88-F127 HydrophobicContact CB-CE1 3.97Å; K88-F127 HydrophobicContact CB-CE2 4.44Å; K88-F127 HydrophobicContact CB-CZ 3.68Å; K88-F127 HydrophobicContact CD-CD1 3.72Å; K88-F127 HydrophobicContact CD-CE1 3.39Å; K88-F127 HydrophobicContact CD-CZ 3.96Å; K88-F127 HydrophobicContact CG-CD1 4.3Å; K88-F127 HydrophobicContact CG-CE1 3.46Å; K88-F127 VanDerWaalsContact CG-CE1 3.46Å; K88-F127 HydrophobicContact CG-CZ 3.73Å; L92-F127 HydrophobicContact CB-CD1 4.24Å; L92-F127 HydrophobicContact CD1-CD1 3.64Å; L92-F127 HydrophobicContact CD1-CE1 3.72Å; L92-F127 HydrophobicContact CG-CD1 3.79Å; L92-F127 HydrophobicContact CG-CE1 3.88Å; F123-F127 AromaticContact CD2-CD2 3.9Å; F123-F127 HydrophobicContact CD2-CD2 3.9Å; F123-F127 HydrophobicContact CD2-CE2 4.36Å; F123-F127 HydrophobicContact CE1-CB 3.92Å; F123-F127 HydrophobicContact CE1-CD2 4.23Å; F123-F127 HydrophobicContact CE1-CG 4.43Å; F123-F127 AromaticContact CE2-CD2 3.52Å; F123-F127 HydrophobicContact CE2-CD2 3.52Å; F123-F127 AromaticContact CE2-CE2 3.97Å; F123-F127 HydrophobicContact CE2-CE2 3.97Å; F123-F127 HydrophobicContact CE2-CG 4.3Å; F123-F127 HydrophobicContact CG-CD2 4.41Å; F123-F127 HydrophobicContact CZ-CB 4Å; F123-F127 AromaticContact CZ-CD2 3.7Å; F123-F127 HydrophobicContact CZ-CD2 3.7Å; F123-F127 HydrophobicContact CZ-CE2 4.49Å; F123-F127 HydrophobicContact CZ-CG 4.04Å; F123-F127 PolarHBondContact O-N 2.85Å; F127-G129 PolarHBondContact O-N 3.28Å; F127-I130 HydrophobicContact CB-CB 3.86Å; F127-I130 HydrophobicContact CB-CG1 3.96Å; F127-I130 PolarHBondContact O-N 3.04Å; F127-V278 HydrophobicContact CE1-CG1 4.11Å; F127-V278 HydrophobicContact CE2-CG2 4.39Å; F127-V278 HydrophobicContact CZ-CB 3.88Å; F127-V278 HydrophobicContact CZ-CG1 3.83Å; F127-V278 HydrophobicContact CZ-CG2 3.93Å |
| 128 | P | 97.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 34 Ų | 34 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 134.8 | -177.4 | 26.9 | -34.5 | 0 | 0 | 0 | 111.1 | S124 I130 | S124-P128 WeakPolarHBondContact O-CA 3.3Å; P128-I130 PolarHBondContact O-N 3.39Å |
| 129 | G | 97 | Very high | 95.5 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 58% | 0.577 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -4.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F127 | F127-G129 PolarHBondContact O-N 3.28Š|
| 130 | I | 98.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | trans | -93 | 133 | 176.8 | -55.7 | -58.7 | 0 | 0 | 0 | 110.6 | L92 P94 Y98 F123 F127 P128 G172 L174 | L92-I130 HydrophobicContact CB-CD1 4.06Å; L92-I130 HydrophobicContact CB-CG1 4.01Å; P94-I130 HydrophobicContact CB-CD1 4.4Å; Y98-I130 HydrophobicContact CD2-CD1 4.33Å; Y98-I130 HydrophobicContact CE2-CD1 3.88Å; F123-I130 HydrophobicContact CE1-CB 4.34Å; F123-I130 HydrophobicContact CE1-CG2 4.17Å; F123-I130 HydrophobicContact CZ-CG2 4.18Å; F127-I130 HydrophobicContact CB-CB 3.86Å; F127-I130 HydrophobicContact CB-CG1 3.96Å; F127-I130 PolarHBondContact O-N 3.04Å; P128-I130 PolarHBondContact O-N 3.39Å; I130-G172 CarbonylContact C-O 3.17Å; I130-G172 VanDerWaalsContact CA-O 3.32Å; I130-G172 WeakPolarHBondContact CA-O 3.23Å; I130-L174 HydrophobicContact CG2-CB 3.55Å; I130-L174 HydrophobicContact CG2-CD1 4.04Å; I130-L174 HydrophobicContact CG2-CG 4.48Å | ||
| 131 | T | 97.1 | Very high | 95 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 111.4 | 175.2 | -71.2 | 0 | 0 | 0 | 0 | 110.4 | H133 G172 L174 | T131-H133 VanDerWaalsContact CG2-NE2 3.33Å; T131-H133 WeakPolarHBondContact CG2-NE2 3.47Å; T131-G172 PolarHBondContact N-O 3.33Å; T131-L174 PolarHBondContact O-N 3.26Å |
| 132 | P | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 140.4 | 178.9 | 33.8 | -33.9 | 0 | 0 | 0 | 111.8 | F116 F123 L174 | F116-P132 HydrophobicContact CB-CB 4.25Å; F116-P132 WeakPolarHBondContact O-CB 3.44Å; F116-P132 VanDerWaalsContact O-CG 3.29Å; F116-P132 WeakPolarHBondContact O-CG 3.4Å; F123-P132 HydrophobicContact CD1-CB 4.21Å; F123-P132 HydrophobicContact CD1-CG 3.57Å; F123-P132 HydrophobicContact CE1-CB 3.75Å; F123-P132 VanDerWaalsContact CE1-CD 3.48Å; F123-P132 HydrophobicContact CE1-CG 3.52Å; F123-P132 HydrophobicContact CE2-CB 4.17Å; F123-P132 HydrophobicContact CG-CG 4.13Å; F123-P132 HydrophobicContact CZ-CB 3.72Å; F123-P132 HydrophobicContact CZ-CG 4.02Å; P132-L174 CarbonylContact C-O 3.59Å; P132-L174 WeakPolarHBondContact CA-O 3.45Å |
| 133 | H | 95.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 110.8 | 173.5 | -71.2 | -76.6 | 0 | 0 | 0 | 109.3 | T131 G154 L166 L174 V175 G176 | T131-H133 VanDerWaalsContact CG2-NE2 3.33Å; T131-H133 WeakPolarHBondContact CG2-NE2 3.47Å; H133-G154 PolarHBondContact ND1-O 3.4Å; H133-L166 HydrophobicContact CB-CD1 4.03Å; H133-L174 PolarHBondContact N-O 2.96Å; H133-V175 CarbonylContact O-C 3.59Å; H133-V175 WeakPolarHBondContact O-CA 3.36Å; H133-G176 PolarHBondContact O-N 3.05Å |
| 134 | L | 95 | Very high | 94.4 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.7 | 172.4 | -170.2 | 65.4 | 0 | 0 | 0 | 109.4 | V102 A112 F116 C117 V155 C156 V178 | V102-L134 HydrophobicContact CG2-CD1 4.35Å; A112-L134 HydrophobicContact CB-CD2 4.47Å; F116-L134 HydrophobicContact CB-CB 4.5Å; F116-L134 HydrophobicContact CD2-CD1 4.48Å; C117-L134 WeakPolarHBondContact SG-CB 3.48Å; L134-V155 CarbonylContact O-C 3.58Å; L134-V155 VanDerWaalsContact O-CA 3.3Å; L134-V155 WeakPolarHBondContact O-CA 3.22Å; L134-V155 VanDerWaalsContact O-CG1 3.23Å; L134-V155 WeakPolarHBondContact O-CG1 3.37Å; L134-C156 PolarHBondContact O-N 2.73Å; L134-V178 HydrophobicContact CD1-CG2 4.49Å |
| 135 | A | 94.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C156 V158 V175 G176 I177 | A135-C156 WeakPolarHBondContact CA-O 3.46Å; A135-V158 HydrophobicContact CB-CB 3.91Å; A135-V158 HydrophobicContact CB-CG2 3.97Å; A135-V175 HydrophobicContact CB-CG1 4.37Å; A135-G176 WeakPolarHBondContact CB-O 3.14Å; A135-G176 PolarHBondContact N-O 2.95Å; A135-I177 HydrophobicContact CB-CG1 4.31Å |
| 136 | T | 91.5 | Very high | 94.2 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 27% | 0.27 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 174.6 | 176.2 | -161.5 | 0 | 0 | 0 | 0 | 112.3 | S138 F140 F141 L150 V155 C156 V158 | T136-S138 PolarHBondContact O-N 3.07Å; T136-F140 HydrophobicContact CG2-CD2 4.09Å; T136-F141 HydrophobicContact CG2-CE2 3.74Å; T136-F141 HydrophobicContact CG2-CZ 4.09Å; T136-L150 HydrophobicContact CG2-CD1 4.29Å; T136-V155 HydrophobicContact CG2-CG1 3.44Å; T136-V155 VanDerWaalsContact CG2-CG1 3.44Å; T136-C156 PolarHBondContact N-O 2.71Å; T136-V158 WeakPolarHBondContact O-CB 3.47Å; T136-V158 WeakPolarHBondContact O-CG1 3.4Å; T136-V158 PolarHBondContact O-N 3.28Å |
| 137 | L | 89.6 | Confident | 94.1 | Very high | 65 Ų | 65 | 38.1 Ų | 38.1 | 34% | 0.34 | 21% | 0.207 | S | C | . | . | trans | -53.9 | 127.1 | -175.4 | -170.6 | 67.1 | 0 | 0 | 0 | 112.1 | W139 F140 | L137-W139 HydrophobicContact CD2-CB 4.07Å; L137-W139 HydrophobicContact CG-CB 4.13Å; L137-W139 PolarHBondContact O-N 3.17Å; L137-W139 VanDerWaalsContact O-N 3.08Å; L137-F140 HydrophobicContact CB-CD2 4.06Å; L137-F140 HydrophobicContact CB-CE2 4.11Å; L137-F140 PolarHBondContact O-N 3.33Å | ||
| 138 | S | 90.4 | Very high | 93.9 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -57.8 | -26.1 | -178.1 | -45.7 | 0 | 0 | 0 | 0 | 114 | T136 F140 F141 S157 | T136-S138 PolarHBondContact O-N 3.07Å; S138-F140 VanDerWaalsContact C-N 3.29Å; S138-F140 PolarHBondContact O-N 2.92Å; S138-F141 PolarHBondContact O-N 3.02Å; S138-F141 VanDerWaalsContact O-N 3.15Å; S138-S157 VanDerWaalsContact CA-OG 3.31Å; S138-S157 WeakPolarHBondContact CA-OG 3.36Å; S138-S157 WeakPolarHBondContact CB-OG 3.34Å; S138-S157 PolarHBondContact OG-OG 2.9Å |
| 139 | W | 88.3 | Confident | 93.8 | Very high | 138 Ų | 138 | 37.4 Ų | 37.4 | 52% | 0.523 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -60 | -36.8 | -179.9 | -173.4 | -111.6 | 0 | 0 | 0 | 113 | L137 F141 K142 | L137-W139 HydrophobicContact CD2-CB 4.07Å; L137-W139 HydrophobicContact CG-CB 4.13Å; L137-W139 PolarHBondContact O-N 3.17Å; L137-W139 VanDerWaalsContact O-N 3.08Å; W139-F141 PolarHBondContact O-N 3.41Å; W139-F141 VanDerWaalsContact O-N 3.15Å; W139-K142 HydrophobicContact CE3-CD 3.58Å; W139-K142 HydrophobicContact CH2-CD 4.47Å; W139-K142 HydrophobicContact CZ3-CD 3.54Å; W139-K142 WeakPolarHBondContact O-CB 3.38Å; W139-K142 PolarHBondContact O-N 3.12Å |
| 140 | F | 90.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 35.1 Ų | 35.1 | 32% | 0.32 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -61.2 | -27.1 | 178.9 | -66.7 | -51 | 0 | 0 | 0 | 112.9 | T136 L137 S138 K142 I143 V146 L150 | T136-F140 HydrophobicContact CG2-CD2 4.09Å; L137-F140 HydrophobicContact CB-CD2 4.06Å; L137-F140 HydrophobicContact CB-CE2 4.11Å; L137-F140 PolarHBondContact O-N 3.33Å; S138-F140 VanDerWaalsContact C-N 3.29Å; S138-F140 PolarHBondContact O-N 2.92Å; F140-K142 VanDerWaalsContact C-N 3.25Å; F140-K142 PolarHBondContact O-N 2.83Å; F140-I143 PolarHBondContact O-N 2.86Å; F140-V146 HydrophobicContact CB-CG1 4.11Å; F140-V146 HydrophobicContact CD1-CG1 4.5Å; F140-L150 HydrophobicContact CB-CD1 3.46Å; F140-L150 VanDerWaalsContact CB-CD1 3.46Å; F140-L150 HydrophobicContact CD2-CD1 4.42Å; F140-L150 HydrophobicContact CG-CD1 4.16Å |
| 141 | F | 93.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -79.8 | -5.4 | -179.8 | -63.6 | -80.6 | 0 | 0 | 0 | 114.2 | P59 T136 S138 W139 R147 L150 M151 V155 C156 | P59-F141 HydrophobicContact CB-CB 3.73Å; P59-F141 HydrophobicContact CB-CD1 3.56Å; P59-F141 HydrophobicContact CB-CD2 4.48Å; P59-F141 HydrophobicContact CB-CE1 4.28Å; P59-F141 HydrophobicContact CB-CG 3.67Å; P59-F141 HydrophobicContact CG-CB 3.81Å; P59-F141 HydrophobicContact CG-CD1 3.88Å; P59-F141 HydrophobicContact CG-CG 4.13Å; T136-F141 HydrophobicContact CG2-CE2 3.74Å; T136-F141 HydrophobicContact CG2-CZ 4.09Å; S138-F141 PolarHBondContact O-N 3.02Å; S138-F141 VanDerWaalsContact O-N 3.15Å; W139-F141 PolarHBondContact O-N 3.41Å; W139-F141 VanDerWaalsContact O-N 3.15Å; F141-R147 HydrophobicContact CB-CB 4.32Å; F141-R147 HydrophobicContact CD1-CB 4.22Å; F141-R147 WeakPolarHBondContact O-CB 3.44Å; F141-R147 WeakPolarHBondContact O-CD 3.46Å; F141-R147 PolarHBondContact O-NE 3.18Å; F141-L150 HydrophobicContact CE1-CB 3.93Å; F141-L150 HydrophobicContact CE1-CD1 4.4Å; F141-L150 HydrophobicContact CZ-CB 4.27Å; F141-L150 HydrophobicContact CZ-CD1 4.31Å; F141-M151 HydrophobicContact CD1-CG 4.13Å; F141-M151 HydrophobicContact CE1-CG 3.83Å; F141-V155 HydrophobicContact CZ-CG1 4.15Å; F141-C156 VanDerWaalsContact CE2-C 3.48Å; F141-C156 WeakPolarHBondContact CE2-O 3.45Å; F141-C156 WeakPolarHBondContact CZ-O 3.27Å |
| 142 | K | 92.1 | Very high | 93.6 | Very high | 108 Ų | 108 | 34 Ų | 34 | 47% | 0.47 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -90.8 | -10.6 | 173.3 | -61.5 | -177 | -178.2 | -179.6 | 0 | 113.1 | W56 W139 F140 | W56-K142 HydrophobicContact CH2-CB 4.4Å; W56-K142 HydrophobicContact CH2-CG 4.32Å; W56-K142 HydrophobicContact CZ2-CG 4.27Å; W139-K142 HydrophobicContact CE3-CD 3.58Å; W139-K142 HydrophobicContact CH2-CD 4.47Å; W139-K142 HydrophobicContact CZ3-CD 3.54Å; W139-K142 WeakPolarHBondContact O-CB 3.38Å; W139-K142 PolarHBondContact O-N 3.12Å; F140-K142 VanDerWaalsContact C-N 3.25Å; F140-K142 PolarHBondContact O-N 2.83Å |
| 143 | I | 92.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.138 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -94.8 | 120.5 | -176.9 | -57.4 | 174.8 | 0 | 0 | 0 | 108.7 | F26 F140 V146 R147 | F26-I143 HydrophobicContact CE1-CD1 4.23Å; F26-I143 HydrophobicContact CE1-CG2 3.95Å; F26-I143 HydrophobicContact CZ-CD1 4.06Å; F26-I143 HydrophobicContact CZ-CG2 4.26Å; F140-I143 PolarHBondContact O-N 2.86Å; I143-V146 HydrophobicContact CB-CB 3.97Å; I143-V146 HydrophobicContact CB-CG2 4.12Å; I143-V146 HydrophobicContact CG2-CB 3.98Å; I143-V146 HydrophobicContact CG2-CG2 3.6Å; I143-V146 PolarHBondContact O-N 3.43Å; I143-R147 PolarHBondContact O-N 3.29Å; I143-R147 VanDerWaalsContact O-N 3.1Å |
| 144 | P | 93.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 20% | 0.201 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 144.4 | 173.3 | -31.4 | 38.7 | 0 | 0 | 0 | 113 | Y48 L52 V146 | Y48-P144 HydrophobicContact CE1-CB 3.97Å; L52-P144 HydrophobicContact CD2-CG 4.2Å; P144-V146 PolarHBondContact O-N 3.36Å |
| 145 | F | 95.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 23% | 0.232 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -39.1 | -176.2 | -45.4 | -69.8 | 0 | 0 | 0 | 114.9 | I25 L29 Q30 F33 Y48 E148 Y149 | I25-F145 HydrophobicContact CG1-CB 4.26Å; I25-F145 HydrophobicContact CG2-CB 3.88Å; L29-F145 HydrophobicContact CB-CD2 4.25Å; L29-F145 HydrophobicContact CB-CE2 4.4Å; Q30-F145 HydrophobicContact CG-CD2 4.26Å; F33-F145 HydrophobicContact CB-CE2 3.99Å; F33-F145 HydrophobicContact CB-CZ 4.19Å; F33-F145 HydrophobicContact CD2-CE2 4.06Å; F33-F145 AromaticContact CD2-CZ 3.59Å; F33-F145 HydrophobicContact CD2-CZ 3.59Å; F33-F145 HydrophobicContact CE2-CZ 4.18Å; F33-F145 HydrophobicContact CG-CE2 4.05Å; F33-F145 HydrophobicContact CG-CZ 4.06Å; Y48-F145 HydrophobicContact CE1-CZ 4.5Å; Y48-F145 PolarHBondContact OH-N 2.84Å; F145-E148 WeakPolarHBondContact CA-OE2 3.42Å; F145-E148 PolarHBondContact N-OE2 3.49Å; F145-Y149 VanDerWaalsContact O-CB 3.3Å; F145-Y149 WeakPolarHBondContact O-CB 3.39Å; F145-Y149 PolarHBondContact O-N 3.3Å |
| 146 | V | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 173.7 | 174.7 | 0 | 0 | 0 | 0 | 110.1 | Y22 I25 F26 F140 I143 P144 E148 Y149 L150 | Y22-V146 HydrophobicContact CD1-CG2 4.45Å; Y22-V146 HydrophobicContact CE1-CG1 4.17Å; I25-V146 HydrophobicContact CD1-CG2 4.44Å; I25-V146 HydrophobicContact CG2-CG2 3.75Å; F26-V146 HydrophobicContact CE2-CG2 4.24Å; F26-V146 HydrophobicContact CZ-CG2 3.96Å; F140-V146 HydrophobicContact CB-CG1 4.11Å; F140-V146 HydrophobicContact CD1-CG1 4.5Å; I143-V146 HydrophobicContact CB-CB 3.97Å; I143-V146 HydrophobicContact CB-CG2 4.12Å; I143-V146 HydrophobicContact CG2-CB 3.98Å; I143-V146 HydrophobicContact CG2-CG2 3.6Å; I143-V146 PolarHBondContact O-N 3.43Å; P144-V146 PolarHBondContact O-N 3.36Å; V146-E148 PolarHBondContact O-N 2.81Å; V146-Y149 PolarHBondContact O-N 3.23Å; V146-L150 HydrophobicContact CG1-CD1 4.01Å; V146-L150 HydrophobicContact CG1-CG 4.39Å; V146-L150 WeakPolarHBondContact O-CG 3.35Å; V146-L150 PolarHBondContact O-N 2.7Å |
| 147 | R | 94.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 179.9 | 72 | -177.5 | -73.2 | -95.1 | 8.2 | 112 | D55 F141 I143 L150 M151 | D55-R147 PolarHBondContact O-NH2 2.94Å; D55-R147 IonicContact OD2-CZ 2.71Å; D55-R147 VanDerWaalsContact OD2-CZ 3.28Å; D55-R147 IonicContact OD2-NH1 3.25Å; D55-R147 PolarHBondContact OD2-NH1 3.3Å; D55-R147 IonicContact OD2-NH2 2.94Å; D55-R147 PolarHBondContact OD2-NH2 2.92Å; F141-R147 HydrophobicContact CB-CB 4.32Å; F141-R147 HydrophobicContact CD1-CB 4.22Å; F141-R147 WeakPolarHBondContact O-CB 3.44Å; F141-R147 WeakPolarHBondContact O-CD 3.46Å; F141-R147 PolarHBondContact O-NE 3.18Å; I143-R147 PolarHBondContact O-N 3.29Å; I143-R147 VanDerWaalsContact O-N 3.1Å; R147-L150 PolarHBondContact O-N 2.94Å; R147-M151 HydrophobicContact CB-CE 4.43Å; R147-M151 HydrophobicContact CG-CE 4.31Å; R147-M151 WeakPolarHBondContact O-CB 3.17Å; R147-M151 WeakPolarHBondContact O-CE 3.31Å; R147-M151 VanDerWaalsContact O-CG 3.28Å; R147-M151 WeakPolarHBondContact O-CG 3.29Å; R147-M151 PolarHBondContact O-N 3.47Å |
| 148 | E | 94.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | 179.5 | -67.7 | 74.2 | -160.2 | 0 | 0 | 110.4 | Y48 W51 F145 V146 L150 M151 A152 | Y48-E148 PolarHBondContact OH-OE1 3.38Å; Y48-E148 PolarHBondContact OH-OE2 3.17Å; Y48-E148 VanDerWaalsContact OH-OE2 3.13Å; W51-E148 HydrophobicContact CH2-CG 4Å; W51-E148 HydrophobicContact CZ3-CG 4.31Å; W51-E148 WeakPolarHBondContact CZ3-OE1 3.3Å; F145-E148 WeakPolarHBondContact CA-OE2 3.42Å; F145-E148 PolarHBondContact N-OE2 3.49Å; V146-E148 PolarHBondContact O-N 2.81Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 2.79Å; E148-M151 PolarHBondContact O-N 3.42Å; E148-A152 VanDerWaalsContact O-CB 3.25Å; E148-A152 WeakPolarHBondContact O-CB 3.38Å; E148-A152 PolarHBondContact O-N 2.94Å |
| 149 | Y | 95.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.5 | -175.6 | -131.4 | 0 | 0 | 0 | 112.5 | Q17 Y22 I25 W72 F145 V146 K153 | Q17-Y149 PolarHBondContact NE2-OH 3.07Å; Q17-Y149 PolarHBondContact OE1-OH 3.4Å; Y22-Y149 HydrophobicContact CE1-CD1 4.2Å; I25-Y149 HydrophobicContact CD1-CD1 4.39Å; W72-Y149 HydrophobicContact CH2-CE2 4.4Å; W72-Y149 HydrophobicContact CZ3-CE2 4.06Å; F145-Y149 VanDerWaalsContact O-CB 3.3Å; F145-Y149 WeakPolarHBondContact O-CB 3.39Å; F145-Y149 PolarHBondContact O-N 3.3Å; V146-Y149 PolarHBondContact O-N 3.23Å; Y149-K153 HydrophobicContact CE2-CD 4.12Å; Y149-K153 VanDerWaalsContact O-CE 3.25Å; Y149-K153 WeakPolarHBondContact O-CE 3.48Å; Y149-K153 WeakPolarHBondContact O-CG 3.18Å |
| 150 | L | 95.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.1 | -51 | 174.5 | -72.6 | 178.2 | 0 | 0 | 0 | 112 | Y22 T136 F140 F141 V146 R147 E148 A152 K153 V155 | Y22-L150 WeakPolarHBondContact OH-CD2 3.49Å; T136-L150 HydrophobicContact CG2-CD1 4.29Å; F140-L150 HydrophobicContact CB-CD1 3.46Å; F140-L150 VanDerWaalsContact CB-CD1 3.46Å; F140-L150 HydrophobicContact CD2-CD1 4.42Å; F140-L150 HydrophobicContact CG-CD1 4.16Å; F141-L150 HydrophobicContact CE1-CB 3.93Å; F141-L150 HydrophobicContact CE1-CD1 4.4Å; F141-L150 HydrophobicContact CZ-CB 4.27Å; F141-L150 HydrophobicContact CZ-CD1 4.31Å; V146-L150 HydrophobicContact CG1-CD1 4.01Å; V146-L150 HydrophobicContact CG1-CG 4.39Å; V146-L150 WeakPolarHBondContact O-CG 3.35Å; V146-L150 PolarHBondContact O-N 2.7Å; R147-L150 PolarHBondContact O-N 2.94Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 2.79Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.41Å; L150-K153 PolarHBondContact O-N 3.12Å; L150-K153 VanDerWaalsContact O-N 3.08Å; L150-V155 HydrophobicContact CB-CB 4.16Å; L150-V155 HydrophobicContact CB-CG1 4.5Å; L150-V155 HydrophobicContact CD2-CB 4.44Å; L150-V155 HydrophobicContact CD2-CG1 4.37Å; L150-V155 HydrophobicContact CD2-CG2 4.37Å; L150-V155 WeakPolarHBondContact O-CB 3.48Å; L150-V155 PolarHBondContact O-N 3.3Å |
| 151 | M | 95.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | -179.9 | -77.1 | -169.5 | -66 | 0 | 0 | 112.4 | T58 P59 R64 R65 F141 R147 E148 K153 G154 | T58-M151 HydrophobicContact CG2-SD 3.94Å; P59-M151 HydrophobicContact CB-SD 4.34Å; P59-M151 HydrophobicContact CG-CE 4.36Å; P59-M151 HydrophobicContact CG-SD 3.83Å; R64-M151 CarbonylContact C-O 3.53Å; R64-M151 VanDerWaalsContact C-O 3.25Å; R64-M151 HydrophobicContact CB-CB 4.49Å; R64-M151 CarbonylContact O-C 3.58Å; R65-M151 WeakPolarHBondContact CA-O 3.31Å; F141-M151 HydrophobicContact CD1-CG 4.13Å; F141-M151 HydrophobicContact CE1-CG 3.83Å; R147-M151 HydrophobicContact CB-CE 4.43Å; R147-M151 HydrophobicContact CG-CE 4.31Å; R147-M151 WeakPolarHBondContact O-CB 3.17Å; R147-M151 WeakPolarHBondContact O-CE 3.31Å; R147-M151 VanDerWaalsContact O-CG 3.28Å; R147-M151 WeakPolarHBondContact O-CG 3.29Å; R147-M151 PolarHBondContact O-N 3.47Å; E148-M151 PolarHBondContact O-N 3.42Å; M151-K153 PolarHBondContact O-N 3.22Å; M151-G154 WeakPolarHBondContact O-CA 3.49Å; M151-G154 PolarHBondContact O-N 3.14Å |
| 152 | A | 96.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -31.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R64 S66 V69 E148 L150 G154 | R64-A152 VanDerWaalsContact O-CA 3.26Å; R64-A152 WeakPolarHBondContact O-CA 3.46Å; R64-A152 PolarHBondContact O-N 3.15Å; S66-A152 PolarHBondContact N-O 2.65Å; V69-A152 HydrophobicContact CB-CB 4.16Å; V69-A152 HydrophobicContact CG1-CB 4.14Å; V69-A152 HydrophobicContact CG2-CB 3.98Å; E148-A152 VanDerWaalsContact O-CB 3.25Å; E148-A152 WeakPolarHBondContact O-CB 3.38Å; E148-A152 PolarHBondContact O-N 2.94Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.41Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 2.89Å |
| 153 | K | 94.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.9 | 176.4 | -59.2 | 173.9 | -50.7 | -173.6 | 0 | 112.7 | V69 W75 F113 C117 Y149 L150 M151 V155 | V69-K153 HydrophobicContact CG1-CG 3.89Å; W75-K153 HydrophobicContact CZ2-CD 4.33Å; F113-K153 HydrophobicContact CE2-CB 4.18Å; F113-K153 HydrophobicContact CE2-CD 3.66Å; F113-K153 HydrophobicContact CE2-CG 4.3Å; F113-K153 HydrophobicContact CZ-CD 3.83Å; C117-K153 CarbonylContact C-O 3.58Å; C117-K153 VanDerWaalsContact CA-O 3.22Å; C117-K153 WeakPolarHBondContact CA-O 3.34Å; C117-K153 HydrophobicContact CB-CB 4.25Å; C117-K153 WeakPolarHBondContact CB-O 3.48Å; Y149-K153 HydrophobicContact CE2-CD 4.12Å; Y149-K153 VanDerWaalsContact O-CE 3.25Å; Y149-K153 WeakPolarHBondContact O-CE 3.48Å; Y149-K153 WeakPolarHBondContact O-CG 3.18Å; L150-K153 PolarHBondContact O-N 3.12Å; L150-K153 VanDerWaalsContact O-N 3.08Å; M151-K153 PolarHBondContact O-N 3.22Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 HydrophobicContact CB-CG2 4.26Å |
| 154 | G | 91.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 9.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H133 M151 A152 | H133-G154 PolarHBondContact ND1-O 3.4Å; M151-G154 WeakPolarHBondContact O-CA 3.49Å; M151-G154 PolarHBondContact O-N 3.14Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 2.89Å |
| 155 | V | 94.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.055 | 13% | 0.134 | C | C | . | . | trans | -74 | 134.8 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | C117 L134 T136 F141 L150 K153 | C117-V155 HydrophobicContact CB-CG2 4.47Å; L134-V155 CarbonylContact O-C 3.58Å; L134-V155 VanDerWaalsContact O-CA 3.3Å; L134-V155 WeakPolarHBondContact O-CA 3.22Å; L134-V155 VanDerWaalsContact O-CG1 3.23Å; L134-V155 WeakPolarHBondContact O-CG1 3.37Å; T136-V155 HydrophobicContact CG2-CG1 3.44Å; T136-V155 VanDerWaalsContact CG2-CG1 3.44Å; F141-V155 HydrophobicContact CZ-CG1 4.15Å; L150-V155 HydrophobicContact CB-CB 4.16Å; L150-V155 HydrophobicContact CB-CG1 4.5Å; L150-V155 HydrophobicContact CD2-CB 4.44Å; L150-V155 HydrophobicContact CD2-CG1 4.37Å; L150-V155 HydrophobicContact CD2-CG2 4.37Å; L150-V155 WeakPolarHBondContact O-CB 3.48Å; L150-V155 PolarHBondContact O-N 3.3Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 HydrophobicContact CB-CG2 4.26Å | ||
| 156 | C | 93.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 172.6 | 178.7 | 68.5 | 0 | 0 | 0 | 0 | 111.9 | L134 A135 T136 F141 L166 | L134-C156 PolarHBondContact O-N 2.73Å; A135-C156 WeakPolarHBondContact CA-O 3.46Å; T136-C156 PolarHBondContact N-O 2.71Å; F141-C156 VanDerWaalsContact CE2-C 3.48Å; F141-C156 WeakPolarHBondContact CE2-O 3.45Å; F141-C156 WeakPolarHBondContact CZ-O 3.27Å; C156-L166 HydrophobicContact CB-CD1 4.2Å |
| 157 | S | 94.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140.6 | 174.1 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | S138 S159 A162 | S138-S157 VanDerWaalsContact CA-OG 3.31Å; S138-S157 WeakPolarHBondContact CA-OG 3.36Å; S138-S157 WeakPolarHBondContact CB-OG 3.34Å; S138-S157 PolarHBondContact OG-OG 2.9Å; S157-S159 PolarHBondContact O-N 3.49Å; S157-S159 PolarHBondContact OG-N 3.27Å; S157-S159 PolarHBondContact OG-OG 2.9Å; S157-A162 VanDerWaalsContact O-CB 3.27Å; S157-A162 WeakPolarHBondContact O-CB 3.25Å |
| 158 | V | 92.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 27.2 Ų | 27.2 | 33% | 0.333 | 15% | 0.15 | S | C | . | . | trans | -79.7 | 10.1 | 169.2 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | A135 T136 I163 I177 | A135-V158 HydrophobicContact CB-CB 3.91Å; A135-V158 HydrophobicContact CB-CG2 3.97Å; T136-V158 WeakPolarHBondContact O-CB 3.47Å; T136-V158 WeakPolarHBondContact O-CG1 3.4Å; T136-V158 PolarHBondContact O-N 3.28Å; V158-I163 HydrophobicContact CG2-CD1 4.38Å; V158-I177 HydrophobicContact CG2-CG2 4.14Å | ||
| 159 | S | 93.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 31 Ų | 31 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -67.6 | 147.3 | 174.8 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | S157 A162 I163 | S157-S159 PolarHBondContact O-N 3.49Å; S157-S159 PolarHBondContact OG-N 3.27Å; S157-S159 PolarHBondContact OG-OG 2.9Å; S159-A162 WeakPolarHBondContact O-CB 3.45Å; S159-A162 PolarHBondContact O-N 2.92Å; S159-A162 VanDerWaalsContact O-N 3.1Å; S159-A162 WeakPolarHBondContact OG-CB 3.47Å; S159-I163 PolarHBondContact O-N 3.34Å; S159-I163 VanDerWaalsContact O-N 3.15Å |
| 160 | Q | 93.4 | Very high | 94.6 | Very high | 114 Ų | 114 | 32.7 Ų | 32.7 | 53% | 0.533 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -54.9 | -45.4 | 177.8 | -179.7 | 171 | 11.3 | 0 | 0 | 112.7 | A162 I163 D164 | Q160-A162 VanDerWaalsContact C-N 3.26Å; Q160-A162 PolarHBondContact O-N 2.88Å; Q160-I163 PolarHBondContact O-N 3.4Å; Q160-D164 WeakPolarHBondContact CG-OD2 3.18Å; Q160-D164 WeakPolarHBondContact O-CB 3.38Å; Q160-D164 PolarHBondContact O-N 3.44Å |
| 161 | P | 94.9 | Very high | 94.6 | Very high | 70 Ų | 70 | 36.7 Ų | 36.7 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.5 | -35.7 | 176.2 | -26 | 35.4 | 0 | 0 | 0 | 114.3 | Y165 | P161-Y165 VanDerWaalsContact O-CB 3.31Å; P161-Y165 WeakPolarHBondContact O-CB 3.46Å; P161-Y165 PolarHBondContact O-N 3.28Å |
| 162 | A | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.7 | -43.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E60 S157 S159 Q160 L166 | E60-A162 HydrophobicContact CB-CB 4.23Å; E60-A162 WeakPolarHBondContact O-CA 3.31Å; S157-A162 VanDerWaalsContact O-CB 3.27Å; S157-A162 WeakPolarHBondContact O-CB 3.25Å; S159-A162 WeakPolarHBondContact O-CB 3.45Å; S159-A162 PolarHBondContact O-N 2.92Å; S159-A162 VanDerWaalsContact O-N 3.1Å; S159-A162 WeakPolarHBondContact OG-CB 3.47Å; Q160-A162 VanDerWaalsContact C-N 3.26Å; Q160-A162 PolarHBondContact O-N 2.88Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 2.98Å; A162-L166 VanDerWaalsContact O-N 3.12Å |
| 163 | I | 96.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -45.4 | 176.8 | -61 | 166.5 | 0 | 0 | 0 | 109.4 | L99 V158 S159 Q160 Y165 L166 L167 V175 I177 T206 | L99-I163 HydrophobicContact CD1-CG2 4.38Å; V158-I163 HydrophobicContact CG2-CD1 4.38Å; S159-I163 PolarHBondContact O-N 3.34Å; S159-I163 VanDerWaalsContact O-N 3.15Å; Q160-I163 PolarHBondContact O-N 3.4Å; I163-Y165 VanDerWaalsContact C-N 3.31Å; I163-Y165 PolarHBondContact O-N 3.49Å; I163-L166 PolarHBondContact O-N 3.49Å; I163-L167 HydrophobicContact CG2-CD1 3.64Å; I163-L167 HydrophobicContact CG2-CG 4.13Å; I163-L167 VanDerWaalsContact O-CG 3.31Å; I163-L167 WeakPolarHBondContact O-CG 3.21Å; I163-L167 PolarHBondContact O-N 3.42Å; I163-V175 HydrophobicContact CG1-CG1 4.4Å; I163-I177 HydrophobicContact CD1-CD1 3.64Å; I163-T206 HydrophobicContact CG2-CG2 3.65Å |
| 164 | D | 96.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 177.6 | -67.4 | -16.5 | 0 | 0 | 0 | 111.4 | Q160 L167 S168 H210 | Q160-D164 WeakPolarHBondContact CG-OD2 3.18Å; Q160-D164 WeakPolarHBondContact O-CB 3.38Å; Q160-D164 PolarHBondContact O-N 3.44Å; D164-L167 PolarHBondContact O-N 2.8Å; D164-S168 VanDerWaalsContact O-CB 3.27Å; D164-S168 WeakPolarHBondContact O-CB 3.33Å; D164-S168 PolarHBondContact O-N 3.48Å; D164-S168 PolarHBondContact O-OG 3.11Å; D164-H210 IonicContact OD1-CD2 3.67Å; D164-H210 IonicContact OD1-CE1 2.62Å; D164-H210 IonicContact OD1-NE2 3.12Å; D164-H210 PolarHBondContact OD1-NE2 3.08Å |
| 165 | Y | 96.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.3 | -51.1 | 175.4 | -178.2 | -83.7 | 0 | 0 | 0 | 111.5 | E60 R61 P161 I163 L167 S168 H169 | E60-Y165 WeakPolarHBondContact O-CB 3.19Å; R61-Y165 VanDerWaalsContact C-CD1 3.48Å; R61-Y165 VanDerWaalsContact CA-CD1 3.45Å; R61-Y165 HydrophobicContact CB-CD1 4.23Å; R61-Y165 HydrophobicContact CB-CD2 4.18Å; R61-Y165 HydrophobicContact CB-CE1 3.92Å; R61-Y165 HydrophobicContact CB-CE2 3.86Å; R61-Y165 HydrophobicContact CB-CG 4.36Å; R61-Y165 HydrophobicContact CG-CD2 3.86Å; R61-Y165 HydrophobicContact CG-CE2 3.74Å; R61-Y165 HydrophobicContact CG-CG 4.37Å; R61-Y165 WeakPolarHBondContact O-CE1 3.33Å; P161-Y165 VanDerWaalsContact O-CB 3.31Å; P161-Y165 WeakPolarHBondContact O-CB 3.46Å; P161-Y165 PolarHBondContact O-N 3.28Å; I163-Y165 VanDerWaalsContact C-N 3.31Å; I163-Y165 PolarHBondContact O-N 3.49Å; Y165-L167 VanDerWaalsContact C-N 3.3Å; Y165-L167 PolarHBondContact O-N 3.45Å; Y165-S168 PolarHBondContact O-N 3.32Å; Y165-S168 PolarHBondContact O-OG 3.07Å; Y165-H169 AromaticContact CD2-CD2 3.71Å; Y165-H169 AromaticContact CD2-CE1 3.23Å; Y165-H169 WeakPolarHBondContact CD2-CE1 3.35Å; Y165-H169 AromaticContact CD2-CG 3.79Å; Y165-H169 AromaticContact CD2-ND1 3.5Å; Y165-H169 AromaticContact CD2-NE2 3.35Å; Y165-H169 WeakPolarHBondContact CD2-NE2 3.37Å; Y165-H169 HydrophobicContact CE1-CB 4.25Å; Y165-H169 AromaticContact CE2-CD2 3.22Å; Y165-H169 WeakPolarHBondContact CE2-CD2 3.28Å; Y165-H169 AromaticContact CE2-CE1 3.58Å; Y165-H169 AromaticContact CE2-CG 3.65Å; Y165-H169 AromaticContact CE2-ND1 3.86Å; Y165-H169 AromaticContact CE2-NE2 3.17Å; Y165-H169 WeakPolarHBondContact CE2-NE2 3.35Å; Y165-H169 AromaticContact CG-CE1 3.91Å; Y165-H169 AromaticContact CG-ND1 3.74Å; Y165-H169 AromaticContact CZ-CD2 3.57Å; Y165-H169 AromaticContact CZ-CG 3.82Å; Y165-H169 WeakPolarHBondContact O-CB 3.49Å; Y165-H169 PolarHBondContact O-N 2.77Å; Y165-H169 PolarHBondContact O-ND1 2.71Å |
| 166 | L | 96.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -35.4 | -178.4 | -75.5 | 172.7 | 0 | 0 | 0 | 112.9 | H133 C156 A162 I163 N173 V175 | H133-L166 HydrophobicContact CB-CD1 4.03Å; C156-L166 HydrophobicContact CB-CD1 4.2Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 2.98Å; A162-L166 VanDerWaalsContact O-N 3.12Å; I163-L166 PolarHBondContact O-N 3.49Å; L166-N173 PolarHBondContact O-ND2 3.37Å; L166-V175 HydrophobicContact CB-CG2 3.93Å; L166-V175 HydrophobicContact CD1-CG2 3.94Å |
| 167 | L | 96.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -84.5 | -15.1 | -178.3 | -61.4 | 179.9 | 0 | 0 | 0 | 113.7 | N97 L99 I163 D164 Y165 V175 T206 H210 A212 | N97-L167 HydrophobicContact CB-CD2 3.83Å; N97-L167 PolarHBondContact ND2-O 2.95Å; L99-L167 HydrophobicContact CD1-CD1 4.34Å; I163-L167 HydrophobicContact CG2-CD1 3.64Å; I163-L167 HydrophobicContact CG2-CG 4.13Å; I163-L167 VanDerWaalsContact O-CG 3.31Å; I163-L167 WeakPolarHBondContact O-CG 3.21Å; I163-L167 PolarHBondContact O-N 3.42Å; D164-L167 PolarHBondContact O-N 2.8Å; Y165-L167 VanDerWaalsContact C-N 3.3Å; Y165-L167 PolarHBondContact O-N 3.45Å; L167-V175 HydrophobicContact CD2-CG2 4.03Å; L167-T206 HydrophobicContact CD1-CG2 4.06Å; L167-H210 HydrophobicContact CB-CB 3.68Å; L167-H210 HydrophobicContact CD1-CB 4.07Å; L167-A212 HydrophobicContact CD1-CB 4.03Å; L167-A212 HydrophobicContact CD2-CB 3.86Å; L167-A212 HydrophobicContact CG-CB 4.45Å |
| 168 | S | 94.9 | Very high | 95.2 | Very high | 72 Ų | 72 | 37.5 Ų | 37.5 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -107.6 | -28.3 | -177.1 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | D164 Y165 | D164-S168 VanDerWaalsContact O-CB 3.27Å; D164-S168 WeakPolarHBondContact O-CB 3.33Å; D164-S168 PolarHBondContact O-N 3.48Å; D164-S168 PolarHBondContact O-OG 3.11Å; Y165-S168 PolarHBondContact O-N 3.32Å; Y165-S168 PolarHBondContact O-OG 3.07Å |
| 169 | H | 91.4 | Very high | 94.8 | Very high | 118 Ų | 118 | 35.6 Ų | 35.6 | 55% | 0.546 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -87.4 | -28.1 | -168.7 | -75 | 60.2 | 0 | 0 | 0 | 114.5 | Y165 | Y165-H169 AromaticContact CD2-CD2 3.71Å; Y165-H169 AromaticContact CD2-CE1 3.23Å; Y165-H169 WeakPolarHBondContact CD2-CE1 3.35Å; Y165-H169 AromaticContact CD2-CG 3.79Å; Y165-H169 AromaticContact CD2-ND1 3.5Å; Y165-H169 AromaticContact CD2-NE2 3.35Å; Y165-H169 WeakPolarHBondContact CD2-NE2 3.37Å; Y165-H169 HydrophobicContact CE1-CB 4.25Å; Y165-H169 AromaticContact CE2-CD2 3.22Å; Y165-H169 WeakPolarHBondContact CE2-CD2 3.28Å; Y165-H169 AromaticContact CE2-CE1 3.58Å; Y165-H169 AromaticContact CE2-CG 3.65Å; Y165-H169 AromaticContact CE2-ND1 3.86Å; Y165-H169 AromaticContact CE2-NE2 3.17Å; Y165-H169 WeakPolarHBondContact CE2-NE2 3.35Å; Y165-H169 AromaticContact CG-CE1 3.91Å; Y165-H169 AromaticContact CG-ND1 3.74Å; Y165-H169 AromaticContact CZ-CD2 3.57Å; Y165-H169 AromaticContact CZ-CG 3.82Å; Y165-H169 WeakPolarHBondContact O-CB 3.49Å; Y165-H169 PolarHBondContact O-N 2.77Å; Y165-H169 PolarHBondContact O-ND1 2.71Å |
| 170 | S | 92.6 | Very high | 94.1 | Very high | 62 Ų | 62 | 34.7 Ų | 34.7 | 43% | 0.434 | 19% | 0.192 | S | C | . | . | trans | -151.4 | 158.6 | 177.5 | 69.6 | 0 | 0 | 0 | 0 | 110.4 | N97 N173 | N97-S170 PolarHBondContact ND2-O 2.94Å; N97-S170 PolarHBondContact OD1-O 2.96Å; N97-S170 VanDerWaalsContact OD1-O 3.08Å; S170-N173 PolarHBondContact O-ND2 3.49Å; S170-N173 PolarHBondContact OG-ND2 2.92Å | ||
| 171 | T | 95.5 | Very high | 93.5 | Very high | 91 Ų | 91 | 30.3 Ų | 30.3 | 56% | 0.558 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -88.7 | 170.1 | 172.9 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | P94 E95 N97 N173 | P94-T171 CarbonylContact O-C 3.6Å; P94-T171 VanDerWaalsContact O-CB 3.3Å; P94-T171 WeakPolarHBondContact O-CB 3.12Å; P94-T171 PolarHBondContact O-OG1 3.15Å; E95-T171 WeakPolarHBondContact O-CG2 3.43Å; N97-T171 VanDerWaalsContact OD1-C 3.25Å; N97-T171 VanDerWaalsContact OD1-CA 3.24Å; N97-T171 WeakPolarHBondContact OD1-CA 3.12Å; T171-N173 VanDerWaalsContact C-N 3.27Å; T171-N173 PolarHBondContact O-N 2.7Å |
| 172 | G | 97.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 77 | 9.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | P94 H96 N97 I130 T131 | P94-G172 WeakPolarHBondContact O-CA 3.44Å; P94-G172 PolarHBondContact O-N 2.93Å; H96-G172 WeakPolarHBondContact O-CA 3.43Å; H96-G172 PolarHBondContact O-N 3.37Å; H96-G172 VanDerWaalsContact O-N 3.09Å; N97-G172 PolarHBondContact OD1-N 3.14Å; N97-G172 VanDerWaalsContact OD1-N 3.11Å; I130-G172 CarbonylContact C-O 3.17Å; I130-G172 VanDerWaalsContact CA-O 3.32Å; I130-G172 WeakPolarHBondContact CA-O 3.23Å; T131-G172 PolarHBondContact N-O 3.33Å |
| 173 | N | 97.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.6 | 174.8 | -68.2 | -38.5 | 0 | 0 | 0 | 110.6 | N97 Y98 L166 S170 T171 | N97-N173 CarbonylContact C-O 3.52Å; N97-N173 WeakPolarHBondContact CA-O 3.32Å; N97-N173 WeakPolarHBondContact OD1-CB 3.1Å; N97-N173 PolarHBondContact OD1-N 3.48Å; Y98-N173 PolarHBondContact N-O 3.22Å; L166-N173 PolarHBondContact O-ND2 3.37Å; S170-N173 PolarHBondContact O-ND2 3.49Å; S170-N173 PolarHBondContact OG-ND2 2.92Å; T171-N173 VanDerWaalsContact C-N 3.27Å; T171-N173 PolarHBondContact O-N 2.7Å |
| 174 | L | 97.8 | Very high | 90 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 107.5 | 172 | -176.1 | 154.6 | 0 | 0 | 0 | 108.9 | L92 Y98 M100 F123 I130 T131 P132 H133 | L92-L174 HydrophobicContact CD1-CD1 3.56Å; Y98-L174 WeakPolarHBondContact O-CA 3.38Å; M100-L174 HydrophobicContact CB-CD2 3.98Å; M100-L174 HydrophobicContact CB-CG 4.4Å; M100-L174 HydrophobicContact CE-CD1 3.72Å; M100-L174 HydrophobicContact CE-CD2 3.82Å; M100-L174 HydrophobicContact CE-CG 4.23Å; M100-L174 HydrophobicContact SD-CD2 3.9Å; F123-L174 HydrophobicContact CZ-CD1 4.42Å; I130-L174 HydrophobicContact CG2-CB 3.55Å; I130-L174 HydrophobicContact CG2-CD1 4.04Å; I130-L174 HydrophobicContact CG2-CG 4.48Å; T131-L174 PolarHBondContact O-N 3.26Å; P132-L174 CarbonylContact C-O 3.59Å; P132-L174 WeakPolarHBondContact CA-O 3.45Å; H133-L174 PolarHBondContact N-O 2.96Å |
| 175 | V | 97.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 107.2 | -179.9 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | Y98 M100 H133 A135 I163 L166 L167 I177 | Y98-V175 PolarHBondContact O-N 3.31Å; M100-V175 PolarHBondContact N-O 2.8Å; H133-V175 CarbonylContact O-C 3.59Å; H133-V175 WeakPolarHBondContact O-CA 3.36Å; A135-V175 HydrophobicContact CB-CG1 4.37Å; I163-V175 HydrophobicContact CG1-CG1 4.4Å; L166-V175 HydrophobicContact CB-CG2 3.93Å; L166-V175 HydrophobicContact CD1-CG2 3.94Å; L167-V175 HydrophobicContact CD2-CG2 4.03Å; V175-I177 HydrophobicContact CG1-CG1 4.27Å |
| 176 | G | 96.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M100 H133 A135 | M100-G176 CarbonylContact O-C 3.5Å; M100-G176 WeakPolarHBondContact O-CA 3.47Å; H133-G176 PolarHBondContact O-N 3.05Å; A135-G176 WeakPolarHBondContact CB-O 3.14Å; A135-G176 PolarHBondContact N-O 2.95Å |
| 177 | I | 94.7 | Very high | 86.4 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.6 | 175.9 | -54 | -172.4 | 0 | 0 | 0 | 108.7 | L99 M100 G101 V102 A135 V158 I163 V175 V179 F203 | L99-I177 HydrophobicContact CD1-CD1 4.02Å; L99-I177 HydrophobicContact CD2-CD1 3.83Å; L99-I177 HydrophobicContact CD2-CG1 4.09Å; L99-I177 HydrophobicContact CG-CD1 4.07Å; L99-I177 HydrophobicContact CG-CG1 4.49Å; M100-I177 PolarHBondContact O-N 2.87Å; G101-I177 WeakPolarHBondContact CA-O 3.49Å; V102-I177 PolarHBondContact N-O 3.48Å; A135-I177 HydrophobicContact CB-CG1 4.31Å; V158-I177 HydrophobicContact CG2-CG2 4.14Å; I163-I177 HydrophobicContact CD1-CD1 3.64Å; V175-I177 HydrophobicContact CG1-CG1 4.27Å; I177-V179 PolarHBondContact O-N 3.49Å; I177-V179 VanDerWaalsContact O-N 3.12Å; I177-F203 HydrophobicContact CD1-CB 4.45Å |
| 178 | V | 91.1 | Very high | 85.3 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 13% | 0.127 | 18% | 0.18 | C | C | . | . | trans | -81.8 | 92.3 | 170.9 | -160.1 | 0 | 0 | 0 | 0 | 108.7 | V102 H105 L134 G180 G181 | V102-V178 HydrophobicContact CB-CG2 4.29Å; H105-V178 HydrophobicContact CB-CG1 3.4Å; H105-V178 VanDerWaalsContact CB-CG1 3.4Å; H105-V178 WeakPolarHBondContact CD2-CG1 3.4Å; H105-V178 VanDerWaalsContact CG-CG1 3.44Å; L134-V178 HydrophobicContact CD1-CG2 4.49Å; V178-G180 PolarHBondContact O-N 3.15Å; V178-G181 WeakPolarHBondContact O-CA 3.45Å; V178-G181 PolarHBondContact O-N 3.15Å | ||
| 179 | V | 85.3 | Confident | 84.5 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -41.8 | -162.6 | -178.9 | 0 | 0 | 0 | 0 | 113 | I177 G181 L197 R200 F203 | I177-V179 PolarHBondContact O-N 3.49Å; I177-V179 VanDerWaalsContact O-N 3.12Å; V179-G181 PolarHBondContact O-N 3.22Å; V179-L197 HydrophobicContact CB-CD1 4.35Å; V179-L197 HydrophobicContact CG1-CD1 3.69Å; V179-R200 HydrophobicContact CG1-CB 3.47Å; V179-R200 VanDerWaalsContact CG1-CB 3.47Å; V179-R200 HydrophobicContact CG1-CG 4.14Å; V179-F203 HydrophobicContact CG1-CD1 3.8Å; V179-F203 HydrophobicContact CG1-CE1 3.83Å; V179-F203 HydrophobicContact CG2-CD1 4.01Å; V179-F203 HydrophobicContact CG2-CE1 4.15Å; V179-F203 HydrophobicContact CG2-CG 4.36Å |
| 180 | G | 77.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V178 G183 E184 I196 | V178-G180 PolarHBondContact O-N 3.15Å; G180-G183 PolarHBondContact O-N 3.08Å; G180-E184 WeakPolarHBondContact CA-OE2 3.29Å; G180-E184 PolarHBondContact O-N 3.23Å; G180-I196 VanDerWaalsContact CA-O 3.29Å; G180-I196 WeakPolarHBondContact CA-O 3.42Å |
| 181 | G | 81 | Confident | 83.1 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 23% | 0.227 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | 50.2 | -141.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | H105 V178 V179 G183 E184 A185 | H105-G181 PolarHBondContact CD2-O 2.84Å; H105-G181 VanDerWaalsContact CD2-O 3.23Å; V178-G181 WeakPolarHBondContact O-CA 3.45Å; V178-G181 PolarHBondContact O-N 3.15Å; V179-G181 PolarHBondContact O-N 3.22Å; G181-G183 PolarHBondContact O-N 3.31Å; G181-E184 PolarHBondContact O-N 2.82Å; G181-A185 PolarHBondContact O-N 3.19Å; G181-A185 VanDerWaalsContact O-N 3.17Å |
| 182 | V | 70.1 | Confident | 82.2 | Confident | 53 Ų | 53 | 24.7 Ų | 24.7 | 32% | 0.321 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.5 | -20.6 | -177.6 | -152.4 | 0 | 0 | 0 | 0 | 113.5 | E184 L186 Y251 | V182-E184 VanDerWaalsContact C-N 3.35Å; V182-L186 WeakPolarHBondContact O-CD1 3.47Å; V182-L186 VanDerWaalsContact O-CG 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.5Å; V182-L186 PolarHBondContact O-N 3.12Å; V182-Y251 HydrophobicContact CB-CD2 3.95Å; V182-Y251 HydrophobicContact CB-CE2 4.43Å; V182-Y251 HydrophobicContact CG1-CD2 3.27Å; V182-Y251 HydrophobicContact CG1-CE2 4.17Å; V182-Y251 HydrophobicContact CG1-CG 3.91Å |
| 183 | G | 70.4 | Confident | 81.5 | Confident | 17 Ų | 17 | 25.3 Ų | 25.3 | 18% | 0.175 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G180 G181 L186 I196 | G180-G183 PolarHBondContact O-N 3.08Å; G181-G183 PolarHBondContact O-N 3.31Å; G183-L186 PolarHBondContact O-N 3.14Å; G183-I196 WeakPolarHBondContact O-CD1 3.24Å |
| 184 | E | 74.5 | Confident | 81 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.4 | -37.3 | 179.4 | -168.7 | 168.8 | 112.9 | 0 | 0 | 111.3 | P104 H105 G180 G181 V182 L186 Q187 S188 L195 I196 | P104-E184 VanDerWaalsContact C-OE1 3.3Å; P104-E184 WeakPolarHBondContact CA-OE1 3.27Å; H105-E184 HydrophobicContact CB-CB 3.92Å; H105-E184 HydrophobicContact CB-CG 4.02Å; H105-E184 PolarHBondContact N-OE1 2.81Å; G180-E184 WeakPolarHBondContact CA-OE2 3.29Å; G180-E184 PolarHBondContact O-N 3.23Å; G181-E184 PolarHBondContact O-N 2.82Å; V182-E184 VanDerWaalsContact C-N 3.35Å; E184-L186 PolarHBondContact O-N 3.35Å; E184-L186 VanDerWaalsContact O-N 3.09Å; E184-Q187 CarbonylContact O-C 3.51Å; E184-Q187 PolarHBondContact O-N 3.21Å; E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 VanDerWaalsContact O-N 3.08Å; E184-L195 WeakPolarHBondContact OE2-CA 3.37Å; E184-I196 HydrophobicContact CB-CB 4.44Å; E184-I196 HydrophobicContact CB-CD1 4.49Å; E184-I196 HydrophobicContact CB-CG1 4.26Å; E184-I196 PolarHBondContact OE2-N 3.32Å |
| 185 | A | 68.8 | Low | 80.6 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -24.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H105 G181 Q228 | H105-A185 WeakPolarHBondContact ND1-CB 3.46Å; G181-A185 PolarHBondContact O-N 3.19Å; G181-A185 VanDerWaalsContact O-N 3.17Å; A185-Q228 PolarHBondContact O-NE2 3.24Å; A185-Q228 PolarHBondContact O-OE1 3.48Å |
| 186 | L | 69.6 | Low | 80.2 | Confident | 26 Ų | 26 | 28.2 Ų | 28.2 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -20.6 | 176.2 | -73 | 160 | 0 | 0 | 0 | 114.2 | V182 G183 E184 Q228 L230 Y251 | V182-L186 WeakPolarHBondContact O-CD1 3.47Å; V182-L186 VanDerWaalsContact O-CG 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.5Å; V182-L186 PolarHBondContact O-N 3.12Å; G183-L186 PolarHBondContact O-N 3.14Å; E184-L186 PolarHBondContact O-N 3.35Å; E184-L186 VanDerWaalsContact O-N 3.09Å; L186-Q228 PolarHBondContact O-NE2 2.94Å; L186-L230 WeakPolarHBondContact O-CD2 3.31Å; L186-Y251 HydrophobicContact CD1-CD1 3.44Å; L186-Y251 VanDerWaalsContact CD1-CD1 3.44Å; L186-Y251 HydrophobicContact CD1-CD2 3.59Å; L186-Y251 HydrophobicContact CD1-CE1 3.21Å; L186-Y251 HydrophobicContact CD1-CE2 3.3Å; L186-Y251 HydrophobicContact CD1-CG 3.59Å; L186-Y251 HydrophobicContact CD2-CD1 3.42Å; L186-Y251 VanDerWaalsContact CD2-CD1 3.42Å; L186-Y251 HydrophobicContact CD2-CE1 3.95Å; L186-Y251 HydrophobicContact CD2-CG 3.72Å; L186-Y251 HydrophobicContact CG-CD1 3.93Å; L186-Y251 HydrophobicContact CG-CD2 4.28Å; L186-Y251 HydrophobicContact CG-CE1 4.16Å; L186-Y251 HydrophobicContact CG-CE2 4.42Å; L186-Y251 HydrophobicContact CG-CG 3.95Å |
| 187 | Q | 73.9 | Confident | 80 | Confident | 84 Ų | 84 | 28.1 Ų | 28.1 | 39% | 0.393 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -105.7 | 14.1 | 178.4 | -60 | -175.3 | -4.1 | 0 | 0 | 110.1 | E184 V189 T192 | E184-Q187 CarbonylContact O-C 3.51Å; E184-Q187 PolarHBondContact O-N 3.21Å; Q187-V189 PolarHBondContact O-N 2.97Å; Q187-T192 PolarHBondContact O-OG1 3.19Å |
| 188 | S | 74.4 | Confident | 79.8 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | trans | -72.8 | 71.5 | 175.9 | 176 | 0 | 0 | 0 | 0 | 109.9 | E184 T223 Q228 | E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 VanDerWaalsContact O-N 3.08Å; S188-T223 WeakPolarHBondContact OG-CG2 3.49Å; S188-Q228 PolarHBondContact O-OE1 3.09Å | ||
| 189 | V | 77.7 | Confident | 79.8 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | trans | -105.7 | 144.8 | 172.6 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | Q187 T192 Q228 L230 | Q187-V189 PolarHBondContact O-N 2.97Å; V189-T192 HydrophobicContact CG2-CG2 3.31Å; V189-T192 WeakPolarHBondContact CG2-OG1 3.37Å; V189-T192 PolarHBondContact O-N 3.01Å; V189-T192 PolarHBondContact O-OG1 3.16Å; V189-Q228 HydrophobicContact CG1-CB 4.49Å; V189-L230 HydrophobicContact CG1-CD1 3.58Å; V189-L230 HydrophobicContact CG1-CD2 3.92Å; V189-L230 HydrophobicContact CG1-CG 3.69Å | ||
| 190 | P | 78.3 | Confident | 80.2 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 145.2 | -177.9 | -28.2 | 34.8 | 0 | 0 | 0 | 113.2 | T192 E224 | P190-T192 PolarHBondContact O-N 3.27Å; P190-E224 HydrophobicContact CB-CG 4.36Å |
| 191 | N | 76.4 | Confident | 81 | Confident | 122 Ų | 122 | 47 Ų | 47 | 65% | 0.652 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 16 | 179.3 | -46.6 | -68 | 0 | 0 | 0 | 115 | E224 | N191-E224 PolarHBondContact N-OE1 3.38Š|
| 192 | T | 75.9 | Confident | 81.7 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | trans | -96.4 | 135.1 | 171.1 | 57.1 | 0 | 0 | 0 | 0 | 112 | Q187 V189 P190 | Q187-T192 PolarHBondContact O-OG1 3.19Å; V189-T192 HydrophobicContact CG2-CG2 3.31Å; V189-T192 WeakPolarHBondContact CG2-OG1 3.37Å; V189-T192 PolarHBondContact O-N 3.01Å; V189-T192 PolarHBondContact O-OG1 3.16Å; P190-T192 PolarHBondContact O-N 3.27Å | ||
| 193 | T | 82.5 | Confident | 82.9 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | trans | -118.1 | 45.2 | 179.2 | 42.6 | 0 | 0 | 0 | 0 | 109.2 | F310 Q323 K324 L325 F326 | T193-F310 HydrophobicContact CG2-CE2 3.59Å; T193-F310 HydrophobicContact CG2-CZ 3.57Å; T193-Q323 HydrophobicContact CG2-CG 4.29Å; T193-K324 WeakPolarHBondContact CB-O 3.22Å; T193-K324 PolarHBondContact OG1-O 3.2Å; T193-L325 WeakPolarHBondContact O-CA 3.41Å; T193-L325 WeakPolarHBondContact O-CD1 3.34Å; T193-F326 PolarHBondContact O-N 3.15Å | ||
| 194 | T | 87.1 | Confident | 84.2 | Confident | 39 Ų | 39 | 45.6 Ų | 45.6 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.1 | -179.2 | -57.1 | 0 | 0 | 0 | 0 | 108.6 | F326 L328 | T194-F326 CarbonylContact C-O 3.56Å; T194-F326 WeakPolarHBondContact CA-O 3.41Å; T194-F326 HydrophobicContact CG2-CB 4.42Å; T194-L328 HydrophobicContact CG2-CD1 3.33Å; T194-L328 HydrophobicContact CG2-CD2 4.4Å; T194-L328 HydrophobicContact CG2-CG 3.48Å; T194-L328 VanDerWaalsContact CG2-CG 3.48Å |
| 195 | L | 89.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139.5 | -177.2 | -56 | 179.3 | 0 | 0 | 0 | 110.4 | H103 P104 E184 L197 F218 L306 L325 F326 F327 L328 | H103-L195 HydrophobicContact CB-CD1 3.66Å; H103-L195 HydrophobicContact CB-CD2 4Å; H103-L195 HydrophobicContact CB-CG 4.47Å; P104-L195 HydrophobicContact CB-CD2 3.63Å; E184-L195 WeakPolarHBondContact OE2-CA 3.37Å; L195-L197 PolarHBondContact O-N 3.41Å; L195-F218 HydrophobicContact CD1-CD2 4.39Å; L195-F218 HydrophobicContact CD1-CE2 4.17Å; L195-F218 HydrophobicContact CD2-CE2 4.49Å; L195-L306 HydrophobicContact CD1-CD2 3.84Å; L195-L325 HydrophobicContact CD1-CD1 3.8Å; L195-L325 HydrophobicContact CD1-CD2 4.24Å; L195-L325 HydrophobicContact CD1-CG 4.35Å; L195-L325 HydrophobicContact CG-CD1 4Å; L195-F326 PolarHBondContact N-O 3.02Å; L195-F327 HydrophobicContact CB-CD1 4.17Å; L195-F327 HydrophobicContact CD1-CD1 4.48Å; L195-F327 HydrophobicContact CD1-CE1 4.08Å; L195-F327 CarbonylContact O-C 3.42Å; L195-F327 WeakPolarHBondContact O-CA 3.1Å; L195-L328 PolarHBondContact O-N 3.32Å |
| 196 | I | 89.3 | Confident | 86.7 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -87.5 | 89.6 | 174.2 | -56.8 | -170.7 | 0 | 0 | 0 | 108.1 | G180 G183 E184 R200 L328 | G180-I196 VanDerWaalsContact CA-O 3.29Å; G180-I196 WeakPolarHBondContact CA-O 3.42Å; G183-I196 WeakPolarHBondContact O-CD1 3.24Å; E184-I196 HydrophobicContact CB-CB 4.44Å; E184-I196 HydrophobicContact CB-CD1 4.49Å; E184-I196 HydrophobicContact CB-CG1 4.26Å; E184-I196 PolarHBondContact OE2-N 3.32Å; I196-R200 HydrophobicContact CG2-CG 4.35Å; I196-R200 WeakPolarHBondContact O-CG 3.15Å; I196-L328 CarbonylContact C-O 3.56Å |
| 197 | L | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -134 | -30.9 | -172.1 | -177.5 | 58.5 | 0 | 0 | 0 | 112.8 | V179 L195 K199 R200 F203 H299 Y302 M303 L306 F327 L328 | V179-L197 HydrophobicContact CB-CD1 4.35Å; V179-L197 HydrophobicContact CG1-CD1 3.69Å; L195-L197 PolarHBondContact O-N 3.41Å; L197-K199 PolarHBondContact O-N 3.45Å; L197-R200 PolarHBondContact O-N 2.92Å; L197-F203 HydrophobicContact CD1-CE1 3.73Å; L197-F203 HydrophobicContact CD1-CZ 4.06Å; L197-H299 PolarHBondContact O-CE1 2.92Å; L197-H299 PolarHBondContact O-NE2 2.89Å; L197-H299 VanDerWaalsContact O-NE2 3.07Å; L197-Y302 HydrophobicContact CD1-CE1 4.27Å; L197-Y302 HydrophobicContact CD2-CD1 4.19Å; L197-Y302 HydrophobicContact CD2-CE1 3.86Å; L197-M303 HydrophobicContact CD2-CG 3.88Å; L197-M303 HydrophobicContact CG-CG 4.2Å; L197-L306 HydrophobicContact CD2-CD2 3.81Å; L197-F327 HydrophobicContact CB-CD1 4.11Å; L197-F327 HydrophobicContact CD2-CD1 3.94Å; L197-F327 HydrophobicContact CD2-CE1 3.83Å; L197-L328 PolarHBondContact N-O 3.39Å | ||
| 198 | Q | 91.1 | Very high | 89.2 | Confident | 104 Ų | 104 | 44.7 Ų | 44.7 | 49% | 0.486 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -37.8 | -166.6 | -167.2 | 178.8 | 32.1 | 0 | 0 | 112.9 | H299 F327 L328 | Q198-H299 PolarHBondContact O-CE1 2.84Å; Q198-F327 HydrophobicContact CB-CB 4.4Å; Q198-L328 VanDerWaalsContact CB-C 3.45Å; Q198-L328 VanDerWaalsContact CB-O 3.31Å; Q198-L328 WeakPolarHBondContact CB-O 3.28Å; Q198-L328 PolarHBondContact N-O 3.32Å |
| 199 | K | 91.5 | Very high | 90.4 | Very high | 171 Ų | 171 | 46.5 Ų | 46.5 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -2.5 | 180 | -59.6 | -175.9 | -176.9 | 179.7 | 0 | 113.7 | L197 K201 | L197-K199 PolarHBondContact O-N 3.45Å; K199-K201 PolarHBondContact O-N 2.93Å |
| 200 | R | 92.8 | Very high | 91.3 | Very high | 119 Ų | 119 | 46.9 Ų | 46.9 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | trans | -93.6 | 66.6 | -171.4 | -65.3 | -63.3 | -170.8 | 176.9 | 3.2 | 112 | V179 I196 L197 F203 | V179-R200 HydrophobicContact CG1-CB 3.47Å; V179-R200 VanDerWaalsContact CG1-CB 3.47Å; V179-R200 HydrophobicContact CG1-CG 4.14Å; I196-R200 HydrophobicContact CG2-CG 4.35Å; I196-R200 WeakPolarHBondContact O-CG 3.15Å; L197-R200 PolarHBondContact O-N 2.92Å; R200-F203 WeakPolarHBondContact O-CD1 3.39Å; R200-F203 WeakPolarHBondContact O-CE1 3.16Å | ||
| 201 | K | 95.6 | Very high | 92.2 | Very high | 57 Ų | 57 | 46 Ų | 46 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | trans | -89.4 | -1.1 | -173.7 | -47.5 | -171.7 | -176.4 | 177.5 | 0 | 115.2 | K199 F203 V204 R205 V295 D296 H299 | K199-K201 PolarHBondContact O-N 2.93Å; K201-F203 PolarHBondContact O-N 3.5Å; K201-V204 PolarHBondContact O-N 3.42Å; K201-R205 PolarHBondContact O-N 3.04Å; K201-R205 VanDerWaalsContact O-N 3.15Å; K201-V295 HydrophobicContact CB-CG1 3.7Å; K201-V295 HydrophobicContact CD-CG1 4.38Å; K201-D296 WeakPolarHBondContact CD-OD1 3.29Å; K201-D296 WeakPolarHBondContact CE-OD1 3.15Å; K201-D296 IonicContact NZ-OD1 3.06Å; K201-D296 PolarHBondContact NZ-OD1 3.25Å; K201-D296 IonicContact NZ-OD2 3.72Å; K201-D296 PolarHBondContact NZ-OD2 3.27Å; K201-H299 HydrophobicContact CD-CB 4.46Å; K201-H299 HydrophobicContact CG-CB 4.43Å | ||
| 202 | G | 95.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 50% | 0.495 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -41.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V204 R205 T206 | G202-V204 VanDerWaalsContact C-N 3.33Å; G202-V204 PolarHBondContact O-N 3.28Å; G202-R205 WeakPolarHBondContact O-CB 3.4Å; G202-R205 PolarHBondContact O-N 2.91Å; G202-T206 PolarHBondContact O-N 3.43Å; G202-T206 PolarHBondContact O-OG1 3.32Å |
| 203 | F | 96 | Very high | 94.3 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -35.2 | 179.3 | 77.2 | -86.2 | 0 | 0 | 0 | 112.6 | L99 I177 V179 L197 R200 K201 T206 A207 L214 Y302 | L99-F203 HydrophobicContact CD1-CB 4.33Å; L99-F203 HydrophobicContact CD2-CB 3.81Å; L99-F203 HydrophobicContact CD2-CD2 3.81Å; L99-F203 HydrophobicContact CD2-CG 4.24Å; I177-F203 HydrophobicContact CD1-CB 4.45Å; V179-F203 HydrophobicContact CG1-CD1 3.8Å; V179-F203 HydrophobicContact CG1-CE1 3.83Å; V179-F203 HydrophobicContact CG2-CD1 4.01Å; V179-F203 HydrophobicContact CG2-CE1 4.15Å; V179-F203 HydrophobicContact CG2-CG 4.36Å; L197-F203 HydrophobicContact CD1-CE1 3.73Å; L197-F203 HydrophobicContact CD1-CZ 4.06Å; R200-F203 WeakPolarHBondContact O-CD1 3.39Å; R200-F203 WeakPolarHBondContact O-CE1 3.16Å; K201-F203 PolarHBondContact O-N 3.5Å; F203-T206 PolarHBondContact O-N 3.37Å; F203-A207 WeakPolarHBondContact O-CB 3.3Å; F203-A207 PolarHBondContact O-N 3.44Å; F203-L214 HydrophobicContact CD2-CD2 3.65Å; F203-L214 HydrophobicContact CE2-CD1 4.29Å; F203-L214 HydrophobicContact CE2-CD2 3.74Å; F203-Y302 HydrophobicContact CE2-CD1 4.17Å; F203-Y302 HydrophobicContact CE2-CD2 4.12Å; F203-Y302 HydrophobicContact CE2-CE1 4.19Å; F203-Y302 HydrophobicContact CE2-CE2 4.07Å; F203-Y302 HydrophobicContact CE2-CG 4.16Å; F203-Y302 AromaticContact CZ-CD1 3.68Å; F203-Y302 HydrophobicContact CZ-CD1 3.68Å; F203-Y302 HydrophobicContact CZ-CD2 4.44Å; F203-Y302 AromaticContact CZ-CE1 3.75Å; F203-Y302 HydrophobicContact CZ-CE1 3.75Å; F203-Y302 HydrophobicContact CZ-CE2 4.45Å; F203-Y302 HydrophobicContact CZ-CG 4.07Å |
| 204 | V | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.2 | 179 | 0 | 0 | 0 | 0 | 110.6 | K201 G202 A207 L208 L214 V295 H299 | K201-V204 PolarHBondContact O-N 3.42Å; G202-V204 VanDerWaalsContact C-N 3.33Å; G202-V204 PolarHBondContact O-N 3.28Å; V204-A207 PolarHBondContact O-N 2.97Å; V204-L208 HydrophobicContact CG1-CD1 4.27Å; V204-L208 WeakPolarHBondContact O-CG 3.25Å; V204-L208 PolarHBondContact O-N 3.47Å; V204-L214 HydrophobicContact CB-CD1 4.35Å; V204-L214 HydrophobicContact CG1-CD1 4.15Å; V204-L214 HydrophobicContact CG2-CD1 3.87Å; V204-V295 HydrophobicContact CB-CG1 4.39Å; V204-V295 HydrophobicContact CG1-CG1 4.34Å; V204-H299 HydrophobicContact CG2-CB 4.03Å |
| 205 | R | 97.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 36.5 Ų | 36.5 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58 | -50.2 | 174.2 | -176.7 | -176.8 | -64.4 | -84.3 | -1 | 110.7 | K201 G202 A207 L208 Q209 P290 V295 | K201-R205 PolarHBondContact O-N 3.04Å; K201-R205 VanDerWaalsContact O-N 3.15Å; G202-R205 WeakPolarHBondContact O-CB 3.4Å; G202-R205 PolarHBondContact O-N 2.91Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.4Å; R205-L208 PolarHBondContact O-N 2.83Å; R205-Q209 VanDerWaalsContact O-CG 3.32Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.13Å; R205-P290 HydrophobicContact CG-CG 3.89Å; R205-P290 PolarHBondContact NH1-O 2.95Å; R205-V295 HydrophobicContact CB-CG2 4.06Å; R205-V295 HydrophobicContact CG-CG2 4.33Å |
| 206 | T | 97.5 | Very high | 96 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | L99 I163 L167 G202 F203 L208 Q209 H210 | L99-T206 HydrophobicContact CD1-CG2 4.33Å; I163-T206 HydrophobicContact CG2-CG2 3.65Å; L167-T206 HydrophobicContact CD1-CG2 4.06Å; G202-T206 PolarHBondContact O-N 3.43Å; G202-T206 PolarHBondContact O-OG1 3.32Å; F203-T206 PolarHBondContact O-N 3.37Å; T206-L208 PolarHBondContact O-N 2.79Å; T206-Q209 PolarHBondContact O-N 3.42Å; T206-H210 PolarHBondContact O-CD2 3.01Å; T206-H210 VanDerWaalsContact O-CD2 3.28Å; T206-H210 PolarHBondContact O-N 2.82Å |
| 207 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L99 F203 V204 R205 Q209 H210 G211 A212 L214 L284 | L99-A207 HydrophobicContact CB-CB 4.35Å; L99-A207 HydrophobicContact CD1-CB 4.41Å; F203-A207 WeakPolarHBondContact O-CB 3.3Å; F203-A207 PolarHBondContact O-N 3.44Å; V204-A207 PolarHBondContact O-N 2.97Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.4Å; A207-Q209 PolarHBondContact O-N 3.16Å; A207-H210 PolarHBondContact O-N 3.3Å; A207-G211 CarbonylContact O-C 3.25Å; A207-G211 WeakPolarHBondContact O-CA 3.01Å; A207-G211 PolarHBondContact O-N 3.43Å; A207-A212 WeakPolarHBondContact CB-O 3.45Å; A207-A212 PolarHBondContact O-N 2.94Å; A207-L214 HydrophobicContact CB-CD2 3.45Å; A207-L214 VanDerWaalsContact CB-CD2 3.45Å; A207-L214 HydrophobicContact CB-CG 3.96Å; A207-L284 HydrophobicContact CB-CD2 3.68Å |
| 208 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -40 | 173.8 | -73.6 | 167.7 | 0 | 0 | 0 | 112.3 | V204 R205 T206 H210 G211 L284 P285 Q286 I287 P290 M294 V295 Y298 | V204-L208 HydrophobicContact CG1-CD1 4.27Å; V204-L208 WeakPolarHBondContact O-CG 3.25Å; V204-L208 PolarHBondContact O-N 3.47Å; R205-L208 PolarHBondContact O-N 2.83Å; T206-L208 PolarHBondContact O-N 2.79Å; L208-H210 PolarHBondContact O-N 3.37Å; L208-G211 PolarHBondContact O-N 3.1Å; L208-L284 HydrophobicContact CD2-CB 4.21Å; L208-L284 HydrophobicContact CD2-CD2 3.76Å; L208-L284 HydrophobicContact CD2-CG 3.94Å; L208-L284 HydrophobicContact CG-CD2 3.79Å; L208-P285 HydrophobicContact CD2-CG 4.23Å; L208-Q286 CarbonylContact O-C 3.6Å; L208-Q286 WeakPolarHBondContact O-CA 3.23Å; L208-I287 PolarHBondContact O-N 2.98Å; L208-P290 HydrophobicContact CB-CB 4.01Å; L208-P290 HydrophobicContact CB-CG 4.12Å; L208-P290 HydrophobicContact CD1-CB 3.82Å; L208-P290 HydrophobicContact CD1-CG 4.43Å; L208-M294 HydrophobicContact CD1-CG 4.12Å; L208-M294 HydrophobicContact CD2-SD 4.48Å; L208-V295 HydrophobicContact CD1-CG2 3.98Å; L208-Y298 HydrophobicContact CD1-CD2 4.22Å; L208-Y298 HydrophobicContact CD2-CD2 3.76Å; L208-Y298 HydrophobicContact CD2-CE2 3.88Å; L208-Y298 HydrophobicContact CD2-CG 4.28Å |
| 209 | Q | 97.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 30.7 Ų | 30.7 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -31.9 | -179.6 | -72.2 | 178.4 | -53 | 0 | 0 | 113.5 | R205 T206 A207 Q286 I287 E288 P290 | R205-Q209 VanDerWaalsContact O-CG 3.32Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.13Å; T206-Q209 PolarHBondContact O-N 3.42Å; A207-Q209 PolarHBondContact O-N 3.16Å; Q209-Q286 WeakPolarHBondContact O-CG 3.49Å; Q209-Q286 PolarHBondContact O-NE2 2.73Å; Q209-I287 WeakPolarHBondContact CA-O 3.38Å; Q209-E288 WeakPolarHBondContact CG-O 3.44Å; Q209-E288 PolarHBondContact NE2-O 3.31Å; Q209-P290 HydrophobicContact CG-CG 4.13Å |
| 210 | H | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 23 Ų | 23 | 18% | 0.176 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -106.4 | -0.1 | -178.2 | -65 | -77.9 | 0 | 0 | 0 | 114 | D164 L167 T206 A207 L208 A212 | D164-H210 IonicContact OD1-CD2 3.67Å; D164-H210 IonicContact OD1-CE1 2.62Å; D164-H210 IonicContact OD1-NE2 3.12Å; D164-H210 PolarHBondContact OD1-NE2 3.08Å; L167-H210 HydrophobicContact CB-CB 3.68Å; L167-H210 HydrophobicContact CD1-CB 4.07Å; T206-H210 PolarHBondContact O-CD2 3.01Å; T206-H210 VanDerWaalsContact O-CD2 3.28Å; T206-H210 PolarHBondContact O-N 2.82Å; A207-H210 PolarHBondContact O-N 3.3Å; L208-H210 PolarHBondContact O-N 3.37Å; H210-A212 PolarHBondContact O-N 3.3Å |
| 211 | G | 97.4 | Very high | 97 | Very high | 17 Ų | 17 | 18.1 Ų | 18.1 | 18% | 0.175 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 23.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A207 L208 | A207-G211 CarbonylContact O-C 3.25Å; A207-G211 WeakPolarHBondContact O-CA 3.01Å; A207-G211 PolarHBondContact O-N 3.43Å; L208-G211 PolarHBondContact O-N 3.1Å |
| 212 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 132.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.8 | N97 L167 A207 H210 | N97-A212 HydrophobicContact CB-CB 4.29Å; N97-A212 CarbonylContact O-C 3.54Å; N97-A212 VanDerWaalsContact O-CA 3.29Å; N97-A212 WeakPolarHBondContact O-CA 3.47Å; L167-A212 HydrophobicContact CD1-CB 4.03Å; L167-A212 HydrophobicContact CD2-CB 3.86Å; L167-A212 HydrophobicContact CG-CB 4.45Å; A207-A212 WeakPolarHBondContact CB-O 3.45Å; A207-A212 PolarHBondContact O-N 2.94Å; H210-A212 PolarHBondContact O-N 3.3Å |
| 213 | H | 98.4 | Very high | 96.5 | Very high | 23 Ų | 23 | 13.6 Ų | 13.6 | 11% | 0.106 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.4 | -179.9 | -67.3 | -175.7 | 0 | 0 | 0 | 110.3 | H96 N97 Y98 L99 P281 L282 | H96-H213 AromaticContact CD2-CE1 3.67Å; H96-H213 AromaticContact CG-CE1 3.79Å; N97-H213 PolarHBondContact O-N 2.85Å; Y98-H213 CarbonylContact C-O 3.55Å; Y98-H213 VanDerWaalsContact CA-O 3.3Å; Y98-H213 WeakPolarHBondContact CA-O 3.34Å; Y98-H213 HydrophobicContact CD1-CB 3.68Å; Y98-H213 HydrophobicContact CE1-CB 3.79Å; L99-H213 PolarHBondContact N-O 3.41Å; H213-P281 HydrophobicContact CB-CB 4.17Å; H213-L282 WeakPolarHBondContact CA-O 2.94Å; H213-L282 WeakPolarHBondContact CB-O 3.19Å |
| 214 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132.8 | 177.1 | -69.7 | 176.5 | 0 | 0 | 0 | 110.4 | L99 F203 V204 A207 P281 L282 L284 Y302 | L99-L214 HydrophobicContact CB-CD2 4.26Å; L99-L214 HydrophobicContact CD2-CD2 4.43Å; L99-L214 WeakPolarHBondContact O-CA 3.13Å; F203-L214 HydrophobicContact CD2-CD2 3.65Å; F203-L214 HydrophobicContact CE2-CD1 4.29Å; F203-L214 HydrophobicContact CE2-CD2 3.74Å; V204-L214 HydrophobicContact CB-CD1 4.35Å; V204-L214 HydrophobicContact CG1-CD1 4.15Å; V204-L214 HydrophobicContact CG2-CD1 3.87Å; A207-L214 HydrophobicContact CB-CD2 3.45Å; A207-L214 VanDerWaalsContact CB-CD2 3.45Å; A207-L214 HydrophobicContact CB-CG 3.96Å; L214-P281 CarbonylContact O-C 3.56Å; L214-P281 WeakPolarHBondContact O-CA 3.24Å; L214-L282 HydrophobicContact CB-CB 4.29Å; L214-L282 PolarHBondContact N-O 3.16Å; L214-L282 PolarHBondContact O-N 3.12Å; L214-L284 HydrophobicContact CB-CD1 4.18Å; L214-L284 HydrophobicContact CD1-CD1 4.02Å; L214-L284 HydrophobicContact CD1-CD2 3.92Å; L214-L284 HydrophobicContact CG-CD1 3.87Å; L214-L284 HydrophobicContact CG-CD2 3.85Å; L214-Y302 HydrophobicContact CB-CD2 3.89Å; L214-Y302 HydrophobicContact CB-CE2 4.42Å; L214-Y302 HydrophobicContact CD1-CD2 4.15Å; L214-Y302 HydrophobicContact CD1-CG 4.47Å |
| 215 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 109.1 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | L92 Y98 L99 M100 G101 T217 V278 P281 | L92-V215 HydrophobicContact CD2-CG2 4.46Å; Y98-V215 HydrophobicContact CD1-CG2 3.55Å; Y98-V215 HydrophobicContact CE1-CG2 4.49Å; Y98-V215 HydrophobicContact CG-CG2 4.11Å; L99-V215 PolarHBondContact O-N 3.04Å; M100-V215 WeakPolarHBondContact CA-O 3.45Å; M100-V215 HydrophobicContact CB-CB 4.17Å; M100-V215 HydrophobicContact CE-CB 4.44Å; M100-V215 HydrophobicContact CE-CG1 3.93Å; M100-V215 HydrophobicContact CG-CB 4.4Å; G101-V215 PolarHBondContact N-O 3.44Å; V215-T217 PolarHBondContact O-N 3.22Å; V215-V278 HydrophobicContact CG1-CG1 3.63Å; V215-P281 HydrophobicContact CG2-CB 4.13Å |
| 216 | P | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.013 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130.1 | 174.2 | 29.2 | -30.3 | 0 | 0 | 0 | 108.9 | G279 E280 L282 Y302 A305 L306 | P216-G279 WeakPolarHBondContact O-CA 3.28Å; P216-G279 PolarHBondContact O-N 2.99Å; P216-E280 VanDerWaalsContact CD-O 3.29Å; P216-E280 WeakPolarHBondContact CD-O 3.36Å; P216-L282 HydrophobicContact CG-CD1 4.03Å; P216-Y302 HydrophobicContact CB-CD2 4.45Å; P216-Y302 HydrophobicContact CB-CE2 3.96Å; P216-A305 HydrophobicContact CG-CB 4.03Å; P216-L306 HydrophobicContact CB-CB 4.07Å; P216-L306 HydrophobicContact CB-CD1 4.16Å |
| 217 | T | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.8 | -180 | -66 | 0 | 0 | 0 | 0 | 110.4 | M100 G101 H103 F116 V215 T276 V277 V278 | M100-T217 WeakPolarHBondContact CE-OG1 3.34Å; M100-T217 VanDerWaalsContact CG-OG1 3.32Å; M100-T217 WeakPolarHBondContact CG-OG1 3.38Å; M100-T217 HydrophobicContact SD-CG2 4.03Å; M100-T217 PolarHBondContact SD-OG1 2.75Å; G101-T217 WeakPolarHBondContact O-CB 3.03Å; G101-T217 PolarHBondContact O-N 2.66Å; H103-T217 PolarHBondContact CD2-O 3.29Å; H103-T217 PolarHBondContact N-O 2.86Å; F116-T217 HydrophobicContact CZ-CG2 4.32Å; V215-T217 PolarHBondContact O-N 3.22Å; T217-T276 HydrophobicContact CG2-CG2 3.36Å; T217-V277 WeakPolarHBondContact CA-O 3.27Å; T217-V278 HydrophobicContact CG2-CG2 4.26Å |
| 218 | F | 96.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 4% | 0.035 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.3 | 179.3 | -165.3 | -84.8 | 0 | 0 | 0 | 110.6 | H103 L195 F220 T276 V277 L306 F310 L325 | H103-F218 HydrophobicContact CB-CD2 4.29Å; H103-F218 CarbonylContact O-C 3.56Å; H103-F218 VanDerWaalsContact O-CA 3.31Å; H103-F218 WeakPolarHBondContact O-CA 3.43Å; L195-F218 HydrophobicContact CD1-CD2 4.39Å; L195-F218 HydrophobicContact CD1-CE2 4.17Å; L195-F218 HydrophobicContact CD2-CE2 4.49Å; F218-F220 AromaticContact CD1-CD1 3.92Å; F218-F220 HydrophobicContact CD1-CD1 3.92Å; F218-F220 AromaticContact CD1-CD2 3.79Å; F218-F220 HydrophobicContact CD1-CD2 3.79Å; F218-F220 AromaticContact CD1-CE1 3.76Å; F218-F220 HydrophobicContact CD1-CE1 3.76Å; F218-F220 AromaticContact CD1-CE2 3.63Å; F218-F220 HydrophobicContact CD1-CE2 3.63Å; F218-F220 AromaticContact CD1-CG 3.93Å; F218-F220 HydrophobicContact CD1-CG 3.93Å; F218-F220 AromaticContact CD1-CZ 3.62Å; F218-F220 HydrophobicContact CD1-CZ 3.62Å; F218-F220 AromaticContact CE1-CD1 3.62Å; F218-F220 HydrophobicContact CE1-CD1 3.62Å; F218-F220 HydrophobicContact CE1-CD2 4.3Å; F218-F220 AromaticContact CE1-CE1 3.64Å; F218-F220 HydrophobicContact CE1-CE1 3.64Å; F218-F220 HydrophobicContact CE1-CE2 4.32Å; F218-F220 AromaticContact CE1-CG 3.97Å; F218-F220 HydrophobicContact CE1-CG 3.97Å; F218-F220 HydrophobicContact CE1-CZ 4.01Å; F218-F220 HydrophobicContact CG-CZ 4.5Å; F218-T276 CarbonylContact O-C 3.57Å; F218-T276 WeakPolarHBondContact O-CA 3.34Å; F218-V277 PolarHBondContact N-O 2.9Å; F218-V277 VanDerWaalsContact N-O 3.07Å; F218-V277 PolarHBondContact O-N 3.48Å; F218-L306 HydrophobicContact CB-CD1 4.19Å; F218-L306 HydrophobicContact CD2-CD1 4.39Å; F218-F310 HydrophobicContact CD1-CD2 4.08Å; F218-F310 HydrophobicContact CD2-CD2 4.27Å; F218-F310 AromaticContact CE1-CD2 3.73Å; F218-F310 HydrophobicContact CE1-CD2 3.73Å; F218-F310 AromaticContact CE1-CE2 3.96Å; F218-F310 HydrophobicContact CE1-CE2 3.96Å; F218-F310 AromaticContact CE2-CD2 3.93Å; F218-F310 HydrophobicContact CE2-CD2 3.93Å; F218-F310 HydrophobicContact CE2-CE2 4.47Å; F218-F310 HydrophobicContact CG-CD2 4.34Å; F218-F310 AromaticContact CZ-CD2 3.65Å; F218-F310 HydrophobicContact CZ-CD2 3.65Å; F218-F310 AromaticContact CZ-CE2 3.82Å; F218-F310 HydrophobicContact CZ-CE2 3.82Å; F218-L325 HydrophobicContact CD2-CD1 4.39Å; F218-L325 HydrophobicContact CE2-CD1 3.63Å; F218-L325 HydrophobicContact CZ-CD1 4.34Å |
| 219 | T | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 104.3 | -179.2 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | H103 P104 E222 I274 A275 T276 | H103-T219 PolarHBondContact O-N 2.65Å; P104-T219 WeakPolarHBondContact CD-O 3.47Å; T219-E222 HydrophobicContact CG2-CB 3.85Å; T219-E222 HydrophobicContact CG2-CG 4.39Å; T219-I274 HydrophobicContact CG2-CG2 3.35Å; T219-A275 CarbonylContact C-O 3.56Å; T219-A275 WeakPolarHBondContact CA-O 3.29Å; T219-T276 VanDerWaalsContact CG2-OG1 3.26Å; T219-T276 WeakPolarHBondContact CG2-OG1 3.15Å; T219-T276 PolarHBondContact OG1-OG1 2.86Å |
| 220 | F | 95.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 4% | 0.044 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.2 | 174.8 | -61.2 | -88.2 | 0 | 0 | 0 | 110.2 | F218 E222 I274 A275 V277 F310 H313 K314 Y317 | F218-F220 AromaticContact CD1-CD1 3.92Å; F218-F220 HydrophobicContact CD1-CD1 3.92Å; F218-F220 AromaticContact CD1-CD2 3.79Å; F218-F220 HydrophobicContact CD1-CD2 3.79Å; F218-F220 AromaticContact CD1-CE1 3.76Å; F218-F220 HydrophobicContact CD1-CE1 3.76Å; F218-F220 AromaticContact CD1-CE2 3.63Å; F218-F220 HydrophobicContact CD1-CE2 3.63Å; F218-F220 AromaticContact CD1-CG 3.93Å; F218-F220 HydrophobicContact CD1-CG 3.93Å; F218-F220 AromaticContact CD1-CZ 3.62Å; F218-F220 HydrophobicContact CD1-CZ 3.62Å; F218-F220 AromaticContact CE1-CD1 3.62Å; F218-F220 HydrophobicContact CE1-CD1 3.62Å; F218-F220 HydrophobicContact CE1-CD2 4.3Å; F218-F220 AromaticContact CE1-CE1 3.64Å; F218-F220 HydrophobicContact CE1-CE1 3.64Å; F218-F220 HydrophobicContact CE1-CE2 4.32Å; F218-F220 AromaticContact CE1-CG 3.97Å; F218-F220 HydrophobicContact CE1-CG 3.97Å; F218-F220 HydrophobicContact CE1-CZ 4.01Å; F218-F220 HydrophobicContact CG-CZ 4.5Å; F220-E222 VanDerWaalsContact C-N 3.29Å; F220-E222 PolarHBondContact O-N 2.9Å; F220-I274 CarbonylContact O-C 3.51Å; F220-I274 WeakPolarHBondContact O-CA 3.36Å; F220-A275 PolarHBondContact N-O 3.19Å; F220-A275 PolarHBondContact O-N 3.44Å; F220-V277 HydrophobicContact CD2-CG2 4.16Å; F220-V277 HydrophobicContact CE2-CG2 3.87Å; F220-F310 HydrophobicContact CD1-CE2 4.45Å; F220-F310 AromaticContact CE1-CD2 3.65Å; F220-F310 HydrophobicContact CE1-CD2 3.65Å; F220-F310 AromaticContact CE1-CE2 3.62Å; F220-F310 HydrophobicContact CE1-CE2 3.62Å; F220-F310 AromaticContact CZ-CD2 3.91Å; F220-F310 HydrophobicContact CZ-CD2 3.91Å; F220-F310 HydrophobicContact CZ-CE2 4.34Å; F220-H313 HydrophobicContact CE2-CB 3.83Å; F220-H313 HydrophobicContact CZ-CB 3.9Å; F220-K314 HydrophobicContact CE1-CB 4.08Å; F220-Y317 HydrophobicContact CB-CD2 4.34Å; F220-Y317 HydrophobicContact CB-CG 4.03Å; F220-Y317 HydrophobicContact CD1-CD2 4.4Å; F220-Y317 AromaticContact CD2-CD2 3.36Å; F220-Y317 HydrophobicContact CD2-CD2 3.36Å; F220-Y317 AromaticContact CD2-CE2 3.93Å; F220-Y317 HydrophobicContact CD2-CE2 3.93Å; F220-Y317 AromaticContact CD2-CG 3.94Å; F220-Y317 HydrophobicContact CD2-CG 3.94Å; F220-Y317 AromaticContact CE2-CD2 3.65Å; F220-Y317 HydrophobicContact CE2-CD2 3.65Å; F220-Y317 HydrophobicContact CE2-CE2 4.12Å; F220-Y317 AromaticContact CG-CD2 3.78Å; F220-Y317 HydrophobicContact CG-CD2 3.78Å; F220-Y317 AromaticContact CG-CG 3.92Å; F220-Y317 HydrophobicContact CG-CG 3.92Å; F220-Y317 HydrophobicContact CZ-CD2 4.28Å |
| 221 | G | 92.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 19.2 Ų | 19.2 | 17% | 0.165 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -11 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | T223 E224 P273 | G221-T223 PolarHBondContact O-N 3.39Å; G221-E224 WeakPolarHBondContact CA-OE2 3.48Å; G221-E224 PolarHBondContact N-OE2 3.39Å; G221-E224 PolarHBondContact O-N 2.95Å; G221-P273 WeakPolarHBondContact CA-O 3.27Å |
| 222 | E | 91 | Very high | 92.5 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -67.6 | -32.3 | -173.2 | -171.8 | 64.1 | -129.2 | 0 | 0 | 113.3 | P104 T109 F110 G111 T219 F220 E224 V225 | P104-E222 HydrophobicContact CG-CB 4.39Å; T109-E222 WeakPolarHBondContact CA-OE1 3.28Å; T109-E222 PolarHBondContact N-OE1 2.86Å; F110-E222 PolarHBondContact N-OE1 3.37Å; G111-E222 WeakPolarHBondContact CA-OE2 3.48Å; G111-E222 PolarHBondContact N-OE2 3.4Å; T219-E222 HydrophobicContact CG2-CB 3.85Å; T219-E222 HydrophobicContact CG2-CG 4.39Å; F220-E222 VanDerWaalsContact C-N 3.29Å; F220-E222 PolarHBondContact O-N 2.9Å; E222-E224 PolarHBondContact N-OE2 3.26Å; E222-V225 WeakPolarHBondContact O-CG2 3.48Å |
| 223 | T | 89.8 | Confident | 91.9 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -90.2 | -9.9 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | P104 S188 G221 | P104-T223 HydrophobicContact CB-CG2 4.06Å; P104-T223 HydrophobicContact CG-CG2 3.69Å; S188-T223 WeakPolarHBondContact OG-CG2 3.49Å; G221-T223 PolarHBondContact O-N 3.39Å |
| 224 | E | 90.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -89.8 | -6.6 | -177.9 | -68 | 70.9 | -155.3 | 0 | 0 | 114 | P190 N191 G221 E222 Y226 R272 | P190-E224 HydrophobicContact CB-CG 4.36Å; N191-E224 PolarHBondContact N-OE1 3.38Å; G221-E224 WeakPolarHBondContact CA-OE2 3.48Å; G221-E224 PolarHBondContact N-OE2 3.39Å; G221-E224 PolarHBondContact O-N 2.95Å; E222-E224 PolarHBondContact N-OE2 3.26Å; E224-Y226 VanDerWaalsContact C-N 3.28Å; E224-Y226 PolarHBondContact O-N 3.17Å; E224-R272 HydrophobicContact CB-CG 4.33Å |
| 225 | V | 91.8 | Very high | 91 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -77 | -13.5 | -178.2 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | F82 F110 E222 P269 Y270 R272 I274 | F82-V225 HydrophobicContact CD1-CG1 3.79Å; F82-V225 HydrophobicContact CE1-CB 3.85Å; F82-V225 HydrophobicContact CE1-CG1 3.52Å; F82-V225 HydrophobicContact CZ-CG1 4.41Å; F110-V225 HydrophobicContact CD2-CG2 4.35Å; E222-V225 WeakPolarHBondContact O-CG2 3.48Å; V225-P269 HydrophobicContact CB-CB 4.34Å; V225-P269 CarbonylContact O-C 3.51Å; V225-P269 VanDerWaalsContact O-CA 3.32Å; V225-P269 WeakPolarHBondContact O-CA 3.49Å; V225-Y270 PolarHBondContact O-N 3.21Å; V225-R272 HydrophobicContact CG1-CB 4.41Å; V225-I274 HydrophobicContact CG1-CD1 3.83Å; V225-I274 HydrophobicContact CG1-CG1 4.12Å |
| 226 | Y | 91.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -147.6 | 152.1 | 176.8 | -78.5 | -63.9 | 0 | 0 | 0 | 110.4 | L107 L108 F110 E224 F255 L267 P269 | L107-Y226 HydrophobicContact CD1-CD2 4.39Å; L107-Y226 HydrophobicContact CD1-CG 4.32Å; L108-Y226 HydrophobicContact CD1-CE2 3.87Å; L108-Y226 HydrophobicContact CG-CE2 4.27Å; F110-Y226 AromaticContact CE2-CE2 3.94Å; F110-Y226 HydrophobicContact CE2-CE2 3.94Å; E224-Y226 VanDerWaalsContact C-N 3.28Å; E224-Y226 PolarHBondContact O-N 3.17Å; Y226-F255 AromaticContact CD1-CD2 3.75Å; Y226-F255 HydrophobicContact CD1-CD2 3.75Å; Y226-F255 HydrophobicContact CD1-CE2 4.22Å; Y226-F255 HydrophobicContact CD2-CD2 4.3Å; Y226-F255 HydrophobicContact CD2-CE2 4.47Å; Y226-F255 AromaticContact CE1-CD2 3.95Å; Y226-F255 HydrophobicContact CE1-CD2 3.95Å; Y226-F255 AromaticContact CE1-CE2 3.96Å; Y226-F255 HydrophobicContact CE1-CE2 3.96Å; Y226-F255 HydrophobicContact CE2-CD2 4.48Å; Y226-F255 HydrophobicContact CE2-CE2 4.23Å; Y226-F255 AromaticContact CG-CD2 3.94Å; Y226-F255 HydrophobicContact CG-CD2 3.94Å; Y226-F255 HydrophobicContact CG-CE2 4.47Å; Y226-F255 AromaticContact CZ-CE2 3.96Å; Y226-L267 WeakPolarHBondContact CE1-O 3.48Å; Y226-L267 PolarHBondContact OH-O 2.99Å; Y226-P269 HydrophobicContact CD2-CB 4.43Å; Y226-P269 VanDerWaalsContact CE1-CA 3.47Å; Y226-P269 HydrophobicContact CE1-CB 3.97Å; Y226-P269 HydrophobicContact CE2-CB 3.84Å; Y226-P269 WeakPolarHBondContact OH-CD 3.32Å |
| 227 | D | 89.8 | Confident | 90.1 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.9 | 164.4 | -67 | -52.5 | 0 | 0 | 0 | 109.5 | F255 Y256 Y270 | D227-F255 CarbonylContact O-C 3.58Å; D227-F255 WeakPolarHBondContact O-CA 3.34Å; D227-F255 VanDerWaalsContact O-CB 3.29Å; D227-F255 WeakPolarHBondContact O-CB 3.4Å; D227-Y256 HydrophobicContact CB-CD1 4.35Å; D227-Y256 HydrophobicContact CB-CD2 3.94Å; D227-Y256 HydrophobicContact CB-CE1 3.89Å; D227-Y256 HydrophobicContact CB-CE2 3.42Å; D227-Y256 VanDerWaalsContact CB-CE2 3.42Å; D227-Y256 HydrophobicContact CB-CG 4.37Å; D227-Y256 PolarHBondContact N-O 3.38Å; D227-Y256 PolarHBondContact O-N 2.85Å; D227-Y256 VanDerWaalsContact OD2-CE2 3.26Å; D227-Y256 WeakPolarHBondContact OD2-CE2 3.33Å; D227-Y270 VanDerWaalsContact OD2-CE2 3.24Å; D227-Y270 WeakPolarHBondContact OD2-CE2 3.39Å; D227-Y270 VanDerWaalsContact OD2-CZ 3.31Å; D227-Y270 PolarHBondContact OD2-OH 2.99Å |
| 228 | Q | 88.5 | Confident | 89.6 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.8 | 176.5 | -175.6 | 171.3 | -4.3 | 0 | 0 | 111.2 | L107 A185 L186 S188 V189 L230 | L107-Q228 HydrophobicContact CD1-CB 4.29Å; A185-Q228 PolarHBondContact O-NE2 3.24Å; A185-Q228 PolarHBondContact O-OE1 3.48Å; L186-Q228 PolarHBondContact O-NE2 2.94Å; S188-Q228 PolarHBondContact O-OE1 3.09Å; V189-Q228 HydrophobicContact CG1-CB 4.49Å; Q228-L230 HydrophobicContact CG-CD2 4.4Å; Q228-L230 PolarHBondContact O-N 3.08Å |
| 229 | V | 86.8 | Confident | 89.2 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | trans | -81.5 | 113.4 | 173.5 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | F231 V254 Y256 | V229-F231 HydrophobicContact CB-CZ 4.29Å; V229-F231 HydrophobicContact CG1-CD1 4.33Å; V229-F231 HydrophobicContact CG1-CE1 3.78Å; V229-F231 HydrophobicContact CG1-CE2 4.28Å; V229-F231 HydrophobicContact CG1-CZ 3.75Å; V229-V254 HydrophobicContact CB-CB 4.21Å; V229-V254 HydrophobicContact CB-CG1 4.2Å; V229-V254 HydrophobicContact CG2-CB 4.49Å; V229-V254 HydrophobicContact CG2-CG1 3.98Å; V229-V254 PolarHBondContact N-O 3.42Å; V229-Y256 HydrophobicContact CG2-CD1 4.14Å; V229-Y256 HydrophobicContact CG2-CE1 3.88Å | ||
| 230 | L | 85.2 | Confident | 88.8 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 53% | 0.534 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 122.8 | 171.5 | -60.6 | -172.2 | 0 | 0 | 0 | 110.4 | L186 V189 Q228 | L186-L230 WeakPolarHBondContact O-CD2 3.31Å; V189-L230 HydrophobicContact CG1-CD1 3.58Å; V189-L230 HydrophobicContact CG1-CD2 3.92Å; V189-L230 HydrophobicContact CG1-CG 3.69Å; Q228-L230 HydrophobicContact CG-CD2 4.4Å; Q228-L230 PolarHBondContact O-N 3.08Å |
| 231 | F | 85.2 | Confident | 88.4 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 22% | 0.219 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 131.8 | 176.6 | -62.3 | -73.3 | 0 | 0 | 0 | 110.6 | V229 M237 Y238 V254 | V229-F231 HydrophobicContact CB-CZ 4.29Å; V229-F231 HydrophobicContact CG1-CD1 4.33Å; V229-F231 HydrophobicContact CG1-CE1 3.78Å; V229-F231 HydrophobicContact CG1-CE2 4.28Å; V229-F231 HydrophobicContact CG1-CZ 3.75Å; F231-M237 HydrophobicContact CB-CB 4.4Å; F231-M237 HydrophobicContact CD1-CB 3.62Å; F231-M237 HydrophobicContact CD1-CG 3.66Å; F231-M237 HydrophobicContact CD2-CB 4.25Å; F231-M237 HydrophobicContact CD2-CG 3.61Å; F231-M237 HydrophobicContact CE1-CB 3.91Å; F231-M237 HydrophobicContact CE1-CG 3.56Å; F231-M237 HydrophobicContact CE2-CB 4.49Å; F231-M237 HydrophobicContact CE2-CG 3.5Å; F231-M237 VanDerWaalsContact CE2-CG 3.5Å; F231-M237 HydrophobicContact CG-CB 3.81Å; F231-M237 HydrophobicContact CG-CG 3.69Å; F231-M237 HydrophobicContact CZ-CB 4.34Å; F231-M237 HydrophobicContact CZ-CG 3.49Å; F231-M237 VanDerWaalsContact CZ-CG 3.49Å; F231-Y238 WeakPolarHBondContact O-CD2 3.31Å; F231-V254 HydrophobicContact CE2-CB 4.08Å; F231-V254 HydrophobicContact CE2-CG2 3.88Å; F231-V254 HydrophobicContact CZ-CB 4.04Å; F231-V254 HydrophobicContact CZ-CG2 3.85Å |
| 232 | H | 85.1 | Confident | 87.9 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 62% | 0.616 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 143.9 | 174.2 | -164.7 | -97 | 0 | 0 | 0 | 110.6 | D234 S235 Y238 | H232-D234 IonicContact CE1-OD2 3.06Å; H232-D234 PolarHBondContact CE1-OD2 3.46Å; H232-D234 PolarHBondContact ND1-N 3.06Å; H232-D234 IonicContact ND1-OD2 2.79Å; H232-D234 PolarHBondContact ND1-OD2 3.31Å; H232-D234 PolarHBondContact O-N 3.47Å; H232-D234 VanDerWaalsContact O-N 3.08Å; H232-S235 VanDerWaalsContact O-CB 3.22Å; H232-S235 WeakPolarHBondContact O-CB 3.28Å; H232-S235 PolarHBondContact O-N 2.81Å; H232-S235 PolarHBondContact O-OG 2.82Å; H232-Y238 WeakPolarHBondContact O-CB 3.27Å |
| 233 | K | 84.4 | Confident | 87.7 | Confident | 147 Ų | 147 | 70.9 Ų | 70.9 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.5 | -174.6 | -69.2 | -177.1 | 179.4 | 174.7 | 0 | 113.4 | S235 Y238 | K233-S235 VanDerWaalsContact C-N 3.32Å; K233-Y238 HydrophobicContact CB-CD1 4.33Å; K233-Y238 HydrophobicContact CB-CE1 4.2Å; K233-Y238 HydrophobicContact CG-CE1 4.19Å; K233-Y238 HydrophobicContact CG-CE2 4.14Å; K233-Y238 WeakPolarHBondContact O-CD1 3.15Å |
| 234 | D | 88.1 | Confident | 87.4 | Confident | 118 Ų | 118 | 72.4 Ų | 72.4 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -12.1 | -179.9 | -57.4 | -44.2 | 0 | 0 | 0 | 114 | H232 | H232-D234 IonicContact CE1-OD2 3.06Å; H232-D234 PolarHBondContact CE1-OD2 3.46Å; H232-D234 PolarHBondContact ND1-N 3.06Å; H232-D234 IonicContact ND1-OD2 2.79Å; H232-D234 PolarHBondContact ND1-OD2 3.31Å; H232-D234 PolarHBondContact O-N 3.47Å; H232-D234 VanDerWaalsContact O-N 3.08Å |
| 235 | S | 90 | Very high | 87 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -69.1 | 149.6 | -176.8 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | H232 K233 M237 Y238 K239 | H232-S235 VanDerWaalsContact O-CB 3.22Å; H232-S235 WeakPolarHBondContact O-CB 3.28Å; H232-S235 PolarHBondContact O-N 2.81Å; H232-S235 PolarHBondContact O-OG 2.82Å; K233-S235 VanDerWaalsContact C-N 3.32Å; S235-M237 PolarHBondContact O-N 3.24Å; S235-Y238 PolarHBondContact O-N 3.44Å; S235-Y238 VanDerWaalsContact OG-CB 3.27Å; S235-Y238 WeakPolarHBondContact OG-CB 3.37Å; S235-Y238 PolarHBondContact OG-N 3.4Å; S235-K239 PolarHBondContact O-N 2.97Å |
| 236 | R | 89.4 | Confident | 86.5 | Confident | 229 Ų | 229 | 85.6 Ų | 85.6 | 86% | 0.864 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.5 | -36.7 | 173.3 | -67.1 | 178.7 | 66.5 | -170.2 | 0.7 | 111.7 | K239 F240 | R236-K239 PolarHBondContact O-N 2.88Å; R236-F240 WeakPolarHBondContact O-CB 3.26Å; R236-F240 PolarHBondContact O-N 3.16Å |
| 237 | M | 88.1 | Confident | 86 | Confident | 76 Ų | 76 | 90.3 Ų | 90.3 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | -180 | -169.4 | 60.8 | 76.7 | 0 | 0 | 112.1 | F231 S235 K239 F240 Q241 | F231-M237 HydrophobicContact CB-CB 4.4Å; F231-M237 HydrophobicContact CD1-CB 3.62Å; F231-M237 HydrophobicContact CD1-CG 3.66Å; F231-M237 HydrophobicContact CD2-CB 4.25Å; F231-M237 HydrophobicContact CD2-CG 3.61Å; F231-M237 HydrophobicContact CE1-CB 3.91Å; F231-M237 HydrophobicContact CE1-CG 3.56Å; F231-M237 HydrophobicContact CE2-CB 4.49Å; F231-M237 HydrophobicContact CE2-CG 3.5Å; F231-M237 VanDerWaalsContact CE2-CG 3.5Å; F231-M237 HydrophobicContact CG-CB 3.81Å; F231-M237 HydrophobicContact CG-CG 3.69Å; F231-M237 HydrophobicContact CZ-CB 4.34Å; F231-M237 HydrophobicContact CZ-CG 3.49Å; F231-M237 VanDerWaalsContact CZ-CG 3.49Å; S235-M237 PolarHBondContact O-N 3.24Å; M237-K239 VanDerWaalsContact C-N 3.32Å; M237-K239 PolarHBondContact O-N 3.28Å; M237-F240 WeakPolarHBondContact O-CB 3.24Å; M237-F240 PolarHBondContact O-N 3.24Å; M237-F240 HydrophobicContact SD-CD1 4.05Å; M237-Q241 WeakPolarHBondContact O-CG 3.15Å; M237-Q241 PolarHBondContact O-N 3.46Å |
| 238 | Y | 86.6 | Confident | 85.2 | Confident | 81 Ų | 81 | 93.3 Ų | 93.3 | 32% | 0.318 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.5 | -179.4 | -88.8 | 0 | 0 | 0 | 111.9 | F231 H232 K233 S235 F240 Q241 S242 | F231-Y238 WeakPolarHBondContact O-CD2 3.31Å; H232-Y238 WeakPolarHBondContact O-CB 3.27Å; K233-Y238 HydrophobicContact CB-CD1 4.33Å; K233-Y238 HydrophobicContact CB-CE1 4.2Å; K233-Y238 HydrophobicContact CG-CE1 4.19Å; K233-Y238 HydrophobicContact CG-CE2 4.14Å; K233-Y238 WeakPolarHBondContact O-CD1 3.15Å; S235-Y238 PolarHBondContact O-N 3.44Å; S235-Y238 VanDerWaalsContact OG-CB 3.27Å; S235-Y238 WeakPolarHBondContact OG-CB 3.37Å; S235-Y238 PolarHBondContact OG-N 3.4Å; Y238-F240 VanDerWaalsContact C-N 3.35Å; Y238-Q241 PolarHBondContact O-N 3.34Å; Y238-S242 WeakPolarHBondContact O-CB 3.45Å; Y238-S242 PolarHBondContact O-N 2.81Å; Y238-S242 PolarHBondContact O-OG 3.01Å |
| 239 | K | 87.9 | Confident | 84.2 | Confident | 134 Ų | 134 | 94.5 Ų | 94.5 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 175 | -68.3 | 174.5 | -178.1 | 172.6 | 0 | 111.6 | S235 R236 M237 S242 C243 | S235-K239 PolarHBondContact O-N 2.97Å; R236-K239 PolarHBondContact O-N 2.88Å; M237-K239 VanDerWaalsContact C-N 3.32Å; M237-K239 PolarHBondContact O-N 3.28Å; K239-S242 PolarHBondContact O-N 2.64Å; K239-C243 WeakPolarHBondContact O-CB 3.32Å; K239-C243 PolarHBondContact O-N 2.89Å |
| 240 | F | 87.3 | Confident | 83.4 | Confident | 111 Ų | 111 | 96 Ų | 96 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62 | -51.1 | 174.1 | 173.8 | -98.9 | 0 | 0 | 0 | 112 | R236 M237 Y238 S242 C243 F244 | R236-F240 WeakPolarHBondContact O-CB 3.26Å; R236-F240 PolarHBondContact O-N 3.16Å; M237-F240 WeakPolarHBondContact O-CB 3.24Å; M237-F240 PolarHBondContact O-N 3.24Å; M237-F240 HydrophobicContact SD-CD1 4.05Å; Y238-F240 VanDerWaalsContact C-N 3.35Å; F240-S242 VanDerWaalsContact C-N 3.28Å; F240-S242 PolarHBondContact O-N 3.36Å; F240-C243 WeakPolarHBondContact O-CB 3.16Å; F240-C243 PolarHBondContact O-N 3.05Å; F240-C243 VanDerWaalsContact O-N 3.13Å; F240-F244 HydrophobicContact CZ-CD2 4.33Å; F240-F244 WeakPolarHBondContact O-CB 3.28Å; F240-F244 PolarHBondContact O-N 3.45Å |
| 241 | Q | 85.4 | Confident | 82.7 | Confident | 10 Ų | 10 | 92.9 Ų | 92.9 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.4 | -42.6 | 176.5 | -76.2 | 178.8 | -37.8 | 0 | 0 | 111.9 | M237 Y238 F244 R245 Y251 F252 | M237-Q241 WeakPolarHBondContact O-CG 3.15Å; M237-Q241 PolarHBondContact O-N 3.46Å; Y238-Q241 PolarHBondContact O-N 3.34Å; Q241-F244 PolarHBondContact O-N 2.94Å; Q241-R245 WeakPolarHBondContact O-CB 3.19Å; Q241-R245 PolarHBondContact O-N 3.13Å; Q241-Y251 HydrophobicContact CB-CD1 4.32Å; Q241-F252 PolarHBondContact NE2-O 3.24Å |
| 242 | S | 83.9 | Confident | 82.2 | Confident | 40 Ų | 40 | 95.2 Ų | 95.2 | 28% | 0.28 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 112 | Y238 K239 F240 R246 | Y238-S242 WeakPolarHBondContact O-CB 3.45Å; Y238-S242 PolarHBondContact O-N 2.81Å; Y238-S242 PolarHBondContact O-OG 3.01Å; K239-S242 PolarHBondContact O-N 2.64Å; F240-S242 VanDerWaalsContact C-N 3.28Å; F240-S242 PolarHBondContact O-N 3.36Å; S242-R246 PolarHBondContact O-N 3.45Å; S242-R246 VanDerWaalsContact O-N 3.15Å |
| 243 | C | 85.6 | Confident | 82.1 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -48.8 | 174.8 | -172 | 0 | 0 | 0 | 0 | 111.5 | K239 F240 R245 R246 I247 | K239-C243 WeakPolarHBondContact O-CB 3.32Å; K239-C243 PolarHBondContact O-N 2.89Å; F240-C243 WeakPolarHBondContact O-CB 3.16Å; F240-C243 PolarHBondContact O-N 3.05Å; F240-C243 VanDerWaalsContact O-N 3.13Å; C243-R245 VanDerWaalsContact C-N 3.33Å; C243-R245 PolarHBondContact O-N 3.05Å; C243-R246 WeakPolarHBondContact O-CB 3.34Å; C243-R246 PolarHBondContact O-N 2.92Å; C243-I247 WeakPolarHBondContact O-CG1 3.29Å; C243-I247 PolarHBondContact O-N 3.44Å; C243-I247 VanDerWaalsContact O-N 3.09Å |
| 244 | F | 83.9 | Confident | 82.2 | Confident | 40 Ų | 40 | 85.4 Ų | 85.4 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.2 | -47.3 | 178.8 | -175.9 | -85.5 | 0 | 0 | 0 | 111.2 | F240 Q241 R246 I247 F248 F250 F252 | F240-F244 HydrophobicContact CZ-CD2 4.33Å; F240-F244 WeakPolarHBondContact O-CB 3.28Å; F240-F244 PolarHBondContact O-N 3.45Å; Q241-F244 PolarHBondContact O-N 2.94Å; F244-R246 VanDerWaalsContact C-N 3.33Å; F244-R246 PolarHBondContact O-N 2.87Å; F244-I247 PolarHBondContact O-N 3.35Å; F244-I247 VanDerWaalsContact O-N 3.14Å; F244-F248 HydrophobicContact CD1-CB 4.47Å; F244-F248 HydrophobicContact CD1-CD2 4.04Å; F244-F248 AromaticContact CD2-CD2 3.47Å; F244-F248 HydrophobicContact CD2-CD2 3.47Å; F244-F248 VanDerWaalsContact CD2-CD2 3.47Å; F244-F248 AromaticContact CD2-CE2 3.63Å; F244-F248 HydrophobicContact CD2-CE2 3.63Å; F244-F248 HydrophobicContact CE1-CB 4.05Å; F244-F248 AromaticContact CE1-CD2 3.91Å; F244-F248 HydrophobicContact CE1-CD2 3.91Å; F244-F248 HydrophobicContact CE1-CG 4.26Å; F244-F248 AromaticContact CE2-CD2 3.32Å; F244-F248 HydrophobicContact CE2-CD2 3.32Å; F244-F248 AromaticContact CE2-CE2 3.47Å; F244-F248 HydrophobicContact CE2-CE2 3.47Å; F244-F248 VanDerWaalsContact CE2-CE2 3.47Å; F244-F248 HydrophobicContact CE2-CG 4.19Å; F244-F248 HydrophobicContact CE2-CZ 4.42Å; F244-F248 AromaticContact CG-CD2 3.83Å; F244-F248 HydrophobicContact CG-CD2 3.83Å; F244-F248 HydrophobicContact CG-CE2 4.39Å; F244-F248 HydrophobicContact CZ-CB 4.24Å; F244-F248 AromaticContact CZ-CD2 3.55Å; F244-F248 HydrophobicContact CZ-CD2 3.55Å; F244-F248 HydrophobicContact CZ-CE2 4.12Å; F244-F248 AromaticContact CZ-CG 4Å; F244-F248 HydrophobicContact CZ-CG 4Å; F244-F248 WeakPolarHBondContact O-CD2 3.36Å; F244-F248 PolarHBondContact O-N 3.46Å; F244-F250 WeakPolarHBondContact CD1-O 3.05Å; F244-F250 AromaticContact CE1-CD2 3.75Å; F244-F250 HydrophobicContact CE1-CD2 3.75Å; F244-F250 AromaticContact CE1-CE2 3.41Å; F244-F250 HydrophobicContact CE1-CE2 3.41Å; F244-F250 VanDerWaalsContact CE1-CE2 3.41Å; F244-F250 HydrophobicContact CE1-CG 4.44Å; F244-F250 AromaticContact CE1-CZ 3.84Å; F244-F250 HydrophobicContact CE1-CZ 3.84Å; F244-F250 HydrophobicContact CZ-CD2 4.39Å; F244-F250 AromaticContact CZ-CE2 3.6Å; F244-F250 HydrophobicContact CZ-CE2 3.6Å; F244-F250 AromaticContact CZ-CZ 3.73Å; F244-F250 HydrophobicContact CZ-CZ 3.73Å; F244-F252 HydrophobicContact CD1-CB 4.38Å |
| 245 | R | 82.3 | Confident | 82.2 | Confident | 115 Ų | 115 | 82.6 Ų | 82.6 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 174.2 | 178.4 | -135.8 | -166.8 | 178.9 | -7 | 112.2 | Q241 C243 I247 G249 F250 Y251 | Q241-R245 WeakPolarHBondContact O-CB 3.19Å; Q241-R245 PolarHBondContact O-N 3.13Å; C243-R245 VanDerWaalsContact C-N 3.33Å; C243-R245 PolarHBondContact O-N 3.05Å; R245-I247 PolarHBondContact O-N 3.19Å; R245-G249 VanDerWaalsContact O-CA 3.28Å; R245-G249 WeakPolarHBondContact O-CA 3.26Å; R245-G249 PolarHBondContact O-N 3.22Å; R245-F250 WeakPolarHBondContact CA-O 3.38Å; R245-Y251 HydrophobicContact CB-CD1 4.11Å; R245-Y251 HydrophobicContact CB-CD2 3.81Å; R245-Y251 HydrophobicContact CB-CE1 3.95Å; R245-Y251 HydrophobicContact CB-CE2 3.72Å; R245-Y251 HydrophobicContact CB-CG 4.09Å; R245-Y251 VanDerWaalsContact CD-OH 3.27Å; R245-Y251 WeakPolarHBondContact CD-OH 3.48Å; R245-Y251 HydrophobicContact CG-CD2 3.47Å; R245-Y251 VanDerWaalsContact CG-CD2 3.47Å; R245-Y251 HydrophobicContact CG-CE1 4.28Å; R245-Y251 HydrophobicContact CG-CE2 3.15Å; R245-Y251 HydrophobicContact CG-CG 4.26Å; R245-Y251 PolarHBondContact NE-OH 3.34Å; R245-Y251 PolarHBondContact NH1-OH 3.1Å |
| 246 | R | 81.6 | Confident | 82.3 | Confident | 206 Ų | 206 | 85.3 Ų | 85.3 | 78% | 0.777 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.6 | -33.2 | -180 | -173 | 174.6 | 65.6 | 169.1 | 1.5 | 111.8 | S242 C243 F244 | S242-R246 PolarHBondContact O-N 3.45Å; S242-R246 VanDerWaalsContact O-N 3.15Å; C243-R246 WeakPolarHBondContact O-CB 3.34Å; C243-R246 PolarHBondContact O-N 2.92Å; F244-R246 VanDerWaalsContact C-N 3.33Å; F244-R246 PolarHBondContact O-N 2.87Å |
| 247 | I | 80.1 | Confident | 82.4 | Confident | 109 Ų | 109 | 74.5 Ų | 74.5 | 56% | 0.559 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -81.2 | -50.8 | -179.8 | -63.3 | 167.7 | 0 | 0 | 0 | 111.3 | C243 F244 R245 | C243-I247 WeakPolarHBondContact O-CG1 3.29Å; C243-I247 PolarHBondContact O-N 3.44Å; C243-I247 VanDerWaalsContact O-N 3.09Å; F244-I247 PolarHBondContact O-N 3.35Å; F244-I247 VanDerWaalsContact O-N 3.14Å; R245-I247 PolarHBondContact O-N 3.19Å |
| 248 | F | 73.6 | Confident | 82.4 | Confident | 108 Ų | 108 | 71.9 Ų | 71.9 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -101.7 | -11.3 | -167.1 | -63.6 | -74.6 | 0 | 0 | 0 | 114.3 | F244 F250 | F244-F248 HydrophobicContact CD1-CB 4.47Å; F244-F248 HydrophobicContact CD1-CD2 4.04Å; F244-F248 AromaticContact CD2-CD2 3.47Å; F244-F248 HydrophobicContact CD2-CD2 3.47Å; F244-F248 VanDerWaalsContact CD2-CD2 3.47Å; F244-F248 AromaticContact CD2-CE2 3.63Å; F244-F248 HydrophobicContact CD2-CE2 3.63Å; F244-F248 HydrophobicContact CE1-CB 4.05Å; F244-F248 AromaticContact CE1-CD2 3.91Å; F244-F248 HydrophobicContact CE1-CD2 3.91Å; F244-F248 HydrophobicContact CE1-CG 4.26Å; F244-F248 AromaticContact CE2-CD2 3.32Å; F244-F248 HydrophobicContact CE2-CD2 3.32Å; F244-F248 AromaticContact CE2-CE2 3.47Å; F244-F248 HydrophobicContact CE2-CE2 3.47Å; F244-F248 VanDerWaalsContact CE2-CE2 3.47Å; F244-F248 HydrophobicContact CE2-CG 4.19Å; F244-F248 HydrophobicContact CE2-CZ 4.42Å; F244-F248 AromaticContact CG-CD2 3.83Å; F244-F248 HydrophobicContact CG-CD2 3.83Å; F244-F248 HydrophobicContact CG-CE2 4.39Å; F244-F248 HydrophobicContact CZ-CB 4.24Å; F244-F248 AromaticContact CZ-CD2 3.55Å; F244-F248 HydrophobicContact CZ-CD2 3.55Å; F244-F248 HydrophobicContact CZ-CE2 4.12Å; F244-F248 AromaticContact CZ-CG 4Å; F244-F248 HydrophobicContact CZ-CG 4Å; F244-F248 WeakPolarHBondContact O-CD2 3.36Å; F244-F248 PolarHBondContact O-N 3.46Å; F248-F250 HydrophobicContact CB-CD1 3.84Å; F248-F250 HydrophobicContact CB-CE1 3.55Å; F248-F250 HydrophobicContact CB-CZ 4.09Å; F248-F250 HydrophobicContact CG-CE1 4.34Å; F248-F250 VanDerWaalsContact O-CD1 3.26Å; F248-F250 WeakPolarHBondContact O-CD1 3.36Å; F248-F250 PolarHBondContact O-N 3.05Å |
| 249 | G | 68.7 | Low | 82.4 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 75.6 | -1.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | R245 | R245-G249 VanDerWaalsContact O-CA 3.28Å; R245-G249 WeakPolarHBondContact O-CA 3.26Å; R245-G249 PolarHBondContact O-N 3.22Å |
| 250 | F | 69 | Low | 82 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 34% | 0.338 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -128.9 | 163.4 | 172.9 | 65.7 | -89.4 | 0 | 0 | 0 | 110.8 | F244 R245 F248 | F244-F250 WeakPolarHBondContact CD1-O 3.05Å; F244-F250 AromaticContact CE1-CD2 3.75Å; F244-F250 HydrophobicContact CE1-CD2 3.75Å; F244-F250 AromaticContact CE1-CE2 3.41Å; F244-F250 HydrophobicContact CE1-CE2 3.41Å; F244-F250 VanDerWaalsContact CE1-CE2 3.41Å; F244-F250 HydrophobicContact CE1-CG 4.44Å; F244-F250 AromaticContact CE1-CZ 3.84Å; F244-F250 HydrophobicContact CE1-CZ 3.84Å; F244-F250 HydrophobicContact CZ-CD2 4.39Å; F244-F250 AromaticContact CZ-CE2 3.6Å; F244-F250 HydrophobicContact CZ-CE2 3.6Å; F244-F250 AromaticContact CZ-CZ 3.73Å; F244-F250 HydrophobicContact CZ-CZ 3.73Å; R245-F250 WeakPolarHBondContact CA-O 3.38Å; F248-F250 HydrophobicContact CB-CD1 3.84Å; F248-F250 HydrophobicContact CB-CE1 3.55Å; F248-F250 HydrophobicContact CB-CZ 4.09Å; F248-F250 HydrophobicContact CG-CE1 4.34Å; F248-F250 VanDerWaalsContact O-CD1 3.26Å; F248-F250 WeakPolarHBondContact O-CD1 3.36Å; F248-F250 PolarHBondContact O-N 3.05Å |
| 251 | Y | 69.9 | Low | 81.5 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | trans | -102.9 | 149.2 | -176.6 | -85.1 | -99.9 | 0 | 0 | 0 | 112.4 | V182 L186 Q241 R245 | V182-Y251 HydrophobicContact CB-CD2 3.95Å; V182-Y251 HydrophobicContact CB-CE2 4.43Å; V182-Y251 HydrophobicContact CG1-CD2 3.27Å; V182-Y251 HydrophobicContact CG1-CE2 4.17Å; V182-Y251 HydrophobicContact CG1-CG 3.91Å; L186-Y251 HydrophobicContact CD1-CD1 3.44Å; L186-Y251 VanDerWaalsContact CD1-CD1 3.44Å; L186-Y251 HydrophobicContact CD1-CD2 3.59Å; L186-Y251 HydrophobicContact CD1-CE1 3.21Å; L186-Y251 HydrophobicContact CD1-CE2 3.3Å; L186-Y251 HydrophobicContact CD1-CG 3.59Å; L186-Y251 HydrophobicContact CD2-CD1 3.42Å; L186-Y251 VanDerWaalsContact CD2-CD1 3.42Å; L186-Y251 HydrophobicContact CD2-CE1 3.95Å; L186-Y251 HydrophobicContact CD2-CG 3.72Å; L186-Y251 HydrophobicContact CG-CD1 3.93Å; L186-Y251 HydrophobicContact CG-CD2 4.28Å; L186-Y251 HydrophobicContact CG-CE1 4.16Å; L186-Y251 HydrophobicContact CG-CE2 4.42Å; L186-Y251 HydrophobicContact CG-CG 3.95Å; Q241-Y251 HydrophobicContact CB-CD1 4.32Å; R245-Y251 HydrophobicContact CB-CD1 4.11Å; R245-Y251 HydrophobicContact CB-CD2 3.81Å; R245-Y251 HydrophobicContact CB-CE1 3.95Å; R245-Y251 HydrophobicContact CB-CE2 3.72Å; R245-Y251 HydrophobicContact CB-CG 4.09Å; R245-Y251 VanDerWaalsContact CD-OH 3.27Å; R245-Y251 WeakPolarHBondContact CD-OH 3.48Å; R245-Y251 HydrophobicContact CG-CD2 3.47Å; R245-Y251 VanDerWaalsContact CG-CD2 3.47Å; R245-Y251 HydrophobicContact CG-CE1 4.28Å; R245-Y251 HydrophobicContact CG-CE2 3.15Å; R245-Y251 HydrophobicContact CG-CG 4.26Å; R245-Y251 PolarHBondContact NE-OH 3.34Å; R245-Y251 PolarHBondContact NH1-OH 3.1Å | ||
| 252 | F | 76.1 | Confident | 80.9 | Confident | 99 Ų | 99 | 72.9 Ų | 72.9 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | trans | -88.4 | 104.4 | 166.4 | -179.4 | -100.3 | 0 | 0 | 0 | 108.9 | Q241 F244 V254 | Q241-F252 PolarHBondContact NE2-O 3.24Å; F244-F252 HydrophobicContact CD1-CB 4.38Å; F252-V254 HydrophobicContact CD1-CG2 4.12Å; F252-V254 HydrophobicContact CE1-CG2 3.52Å; F252-V254 HydrophobicContact CZ-CG2 4.34Å | ||
| 253 | C | 81.6 | Confident | 80.4 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | trans | -93.3 | 133.2 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | L107 F255 | L107-C253 HydrophobicContact CD2-CB 3.74Å; C253-F255 HydrophobicContact CB-CD1 4.24Å | ||
| 254 | V | 86.2 | Confident | 80.2 | Confident | 47 Ų | 47 | 75.3 Ų | 75.3 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | trans | -99 | 118.5 | 168.5 | -179.9 | 0 | 0 | 0 | 0 | 107.1 | V229 F231 F252 | V229-V254 HydrophobicContact CB-CB 4.21Å; V229-V254 HydrophobicContact CB-CG1 4.2Å; V229-V254 HydrophobicContact CG2-CB 4.49Å; V229-V254 HydrophobicContact CG2-CG1 3.98Å; V229-V254 PolarHBondContact N-O 3.42Å; F231-V254 HydrophobicContact CE2-CB 4.08Å; F231-V254 HydrophobicContact CE2-CG2 3.88Å; F231-V254 HydrophobicContact CZ-CB 4.04Å; F231-V254 HydrophobicContact CZ-CG2 3.85Å; F252-V254 HydrophobicContact CD1-CG2 4.12Å; F252-V254 HydrophobicContact CE1-CG2 3.52Å; F252-V254 HydrophobicContact CZ-CG2 4.34Å | ||
| 255 | F | 89.9 | Confident | 80.3 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 26% | 0.263 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 159.6 | -177 | 63.6 | -89.5 | 0 | 0 | 0 | 110 | L107 Y226 D227 C253 | L107-F255 HydrophobicContact CD1-CB 3.42Å; L107-F255 VanDerWaalsContact CD1-CB 3.42Å; L107-F255 HydrophobicContact CD1-CD1 4.14Å; L107-F255 HydrophobicContact CD1-CD2 4.17Å; L107-F255 HydrophobicContact CD1-CG 3.66Å; L107-F255 HydrophobicContact CD2-CD1 4.41Å; Y226-F255 AromaticContact CD1-CD2 3.75Å; Y226-F255 HydrophobicContact CD1-CD2 3.75Å; Y226-F255 HydrophobicContact CD1-CE2 4.22Å; Y226-F255 HydrophobicContact CD2-CD2 4.3Å; Y226-F255 HydrophobicContact CD2-CE2 4.47Å; Y226-F255 AromaticContact CE1-CD2 3.95Å; Y226-F255 HydrophobicContact CE1-CD2 3.95Å; Y226-F255 AromaticContact CE1-CE2 3.96Å; Y226-F255 HydrophobicContact CE1-CE2 3.96Å; Y226-F255 HydrophobicContact CE2-CD2 4.48Å; Y226-F255 HydrophobicContact CE2-CE2 4.23Å; Y226-F255 AromaticContact CG-CD2 3.94Å; Y226-F255 HydrophobicContact CG-CD2 3.94Å; Y226-F255 HydrophobicContact CG-CE2 4.47Å; Y226-F255 AromaticContact CZ-CE2 3.96Å; D227-F255 CarbonylContact O-C 3.58Å; D227-F255 WeakPolarHBondContact O-CA 3.34Å; D227-F255 VanDerWaalsContact O-CB 3.29Å; D227-F255 WeakPolarHBondContact O-CB 3.4Å; C253-F255 HydrophobicContact CB-CD1 4.24Å |
| 256 | Y | 91 | Very high | 80.7 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.6 | 176.4 | 58.8 | -89.2 | 0 | 0 | 0 | 109.8 | D227 V229 T265 G266 | D227-Y256 HydrophobicContact CB-CD1 4.35Å; D227-Y256 HydrophobicContact CB-CD2 3.94Å; D227-Y256 HydrophobicContact CB-CE1 3.89Å; D227-Y256 HydrophobicContact CB-CE2 3.42Å; D227-Y256 VanDerWaalsContact CB-CE2 3.42Å; D227-Y256 HydrophobicContact CB-CG 4.37Å; D227-Y256 PolarHBondContact N-O 3.38Å; D227-Y256 PolarHBondContact O-N 2.85Å; D227-Y256 VanDerWaalsContact OD2-CE2 3.26Å; D227-Y256 WeakPolarHBondContact OD2-CE2 3.33Å; V229-Y256 HydrophobicContact CG2-CD1 4.14Å; V229-Y256 HydrophobicContact CG2-CE1 3.88Å; Y256-T265 HydrophobicContact CD2-CG2 3.98Å; Y256-T265 HydrophobicContact CE2-CG2 4.35Å; Y256-G266 CarbonylContact C-O 3.59Å; Y256-G266 WeakPolarHBondContact CA-O 3.48Å |
| 257 | G | 91.2 | Very high | 81.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | -131.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | T265 G266 L268 | G257-T265 WeakPolarHBondContact O-CA 3.42Å; G257-G266 PolarHBondContact N-O 2.91Å; G257-G266 PolarHBondContact O-N 3.15Å; G257-L268 CarbonylContact C-O 3.58Å; G257-L268 VanDerWaalsContact CA-O 3.28Å; G257-L268 WeakPolarHBondContact CA-O 3.37Å |
| 258 | Q | 89.8 | Confident | 81.7 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 159.9 | 178.3 | 62.5 | -175.3 | -2.1 | 0 | 0 | 113.5 | S4 Y81 G266 L268 P269 Y270 | S4-Q258 PolarHBondContact OG-OE1 2.62Å; Y81-Q258 PolarHBondContact OH-NE2 3.35Å; Q258-G266 CarbonylContact O-C 3.39Å; Q258-G266 WeakPolarHBondContact O-CA 3.16Å; Q258-L268 HydrophobicContact CG-CB 4.13Å; Q258-L268 PolarHBondContact N-O 3.01Å; Q258-L268 VanDerWaalsContact O-CB 3.29Å; Q258-L268 WeakPolarHBondContact O-CB 3.39Å; Q258-L268 PolarHBondContact O-N 3.16Å; Q258-P269 PolarHBondContact NE2-O 3.13Å; Q258-P269 VanDerWaalsContact NE2-O 3.16Å; Q258-Y270 HydrophobicContact CB-CD1 4.13Å; Q258-Y270 HydrophobicContact CB-CE1 4.15Å; Q258-Y270 HydrophobicContact CG-CD1 4.37Å |
| 259 | S | 85.9 | Confident | 82.6 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | trans | -93.3 | 175.8 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | C261 S264 | S259-C261 PolarHBondContact O-N 3.14Å; S259-C261 PolarHBondContact OG-N 3.45Å; S259-S264 WeakPolarHBondContact CB-O 3.49Å; S259-S264 WeakPolarHBondContact CB-OG 3.45Å; S259-S264 PolarHBondContact N-O 3.39Å; S259-S264 PolarHBondContact OG-OG 2.92Å | ||
| 260 | F | 79.6 | Confident | 83.7 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -69.7 | -12.6 | 163.4 | -65.2 | -87.2 | 0 | 0 | 0 | 113.1 | Q6 L16 L268 | Q6-F260 PolarHBondContact NE2-O 3.31Å; L16-F260 HydrophobicContact CD1-CZ 3.98Å; F260-L268 HydrophobicContact CD1-CD1 3.97Å; F260-L268 HydrophobicContact CD2-CD1 4.3Å; F260-L268 HydrophobicContact CE1-CD1 3.96Å; F260-L268 HydrophobicContact CE2-CD1 4.26Å; F260-L268 HydrophobicContact CG-CD1 4.16Å; F260-L268 HydrophobicContact CZ-CD1 4.1Å |
| 261 | C | 76.2 | Confident | 84.8 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -109.1 | 139.2 | 174.8 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | S259 G263 S264 | S259-C261 PolarHBondContact O-N 3.14Å; S259-C261 PolarHBondContact OG-N 3.45Å; C261-G263 PolarHBondContact O-N 3.32Å; C261-S264 PolarHBondContact O-N 3.42Å; C261-S264 PolarHBondContact O-OG 3.04Å |
| 262 | Q | 73.4 | Confident | 85.8 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 71% | 0.71 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 136.3 | 179.7 | -63.7 | -169.3 | 5.8 | 0 | 0 | 111.3 | Q6 S264 | Q6-Q262 HydrophobicContact CB-CG 4.48Å; Q6-Q262 HydrophobicContact CG-CG 4.46Å; Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 3.09Å |
| 263 | G | 72.8 | Confident | 86.8 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 97% | 0.969 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 4.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C261 | C261-G263 PolarHBondContact O-N 3.32Š|
| 264 | S | 81.9 | Confident | 87.5 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | trans | -108.1 | 151.2 | 172.7 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | S259 C261 Q262 | S259-S264 WeakPolarHBondContact CB-O 3.49Å; S259-S264 WeakPolarHBondContact CB-OG 3.45Å; S259-S264 PolarHBondContact N-O 3.39Å; S259-S264 PolarHBondContact OG-OG 2.92Å; C261-S264 PolarHBondContact O-N 3.42Å; C261-S264 PolarHBondContact O-OG 3.04Å; Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 3.09Å | ||
| 265 | T | 86.6 | Confident | 88 | Confident | 104 Ų | 104 | 56.9 Ų | 56.9 | 64% | 0.638 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 145 | 177.3 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | Y256 G257 | Y256-T265 HydrophobicContact CD2-CG2 3.98Å; Y256-T265 HydrophobicContact CE2-CG2 4.35Å; G257-T265 WeakPolarHBondContact O-CA 3.42Å |
| 266 | G | 90 | Very high | 88.4 | Confident | 20 Ų | 20 | 54 Ų | 54 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | -160.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y256 G257 Q258 | Y256-G266 CarbonylContact C-O 3.59Å; Y256-G266 WeakPolarHBondContact CA-O 3.48Å; G257-G266 PolarHBondContact N-O 2.91Å; G257-G266 PolarHBondContact O-N 3.15Å; Q258-G266 CarbonylContact O-C 3.39Å; Q258-G266 WeakPolarHBondContact O-CA 3.16Å |
| 267 | L | 89.6 | Confident | 88.7 | Confident | 120 Ų | 120 | 49.7 Ų | 49.7 | 63% | 0.628 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -101.7 | -3.6 | -179.4 | -63 | 178 | 0 | 0 | 0 | 113.5 | Y226 | Y226-L267 WeakPolarHBondContact CE1-O 3.48Å; Y226-L267 PolarHBondContact OH-O 2.99Å |
| 268 | L | 91.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 140.3 | 176.1 | -63.2 | 172 | 0 | 0 | 0 | 109.6 | P7 S12 L16 G257 Q258 F260 | P7-L268 HydrophobicContact CG-CD1 4.16Å; S12-L268 WeakPolarHBondContact OG-CD1 3.34Å; L16-L268 HydrophobicContact CD1-CD2 3.86Å; L16-L268 HydrophobicContact CD2-CD2 3.98Å; L16-L268 HydrophobicContact CG-CD2 3.69Å; G257-L268 CarbonylContact C-O 3.58Å; G257-L268 VanDerWaalsContact CA-O 3.28Å; G257-L268 WeakPolarHBondContact CA-O 3.37Å; Q258-L268 HydrophobicContact CG-CB 4.13Å; Q258-L268 PolarHBondContact N-O 3.01Å; Q258-L268 VanDerWaalsContact O-CB 3.29Å; Q258-L268 WeakPolarHBondContact O-CB 3.39Å; Q258-L268 PolarHBondContact O-N 3.16Å; F260-L268 HydrophobicContact CD1-CD1 3.97Å; F260-L268 HydrophobicContact CD2-CD1 4.3Å; F260-L268 HydrophobicContact CE1-CD1 3.96Å; F260-L268 HydrophobicContact CE2-CD1 4.26Å; F260-L268 HydrophobicContact CG-CD1 4.16Å; F260-L268 HydrophobicContact CZ-CD1 4.1Å |
| 269 | P | 92.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 155.7 | 180 | 28.8 | -32.6 | 0 | 0 | 0 | 111.2 | L15 Y81 F82 F110 V225 Y226 Q258 | L15-P269 HydrophobicContact CD1-CG 4.21Å; L15-P269 HydrophobicContact CD2-CG 4.17Å; Y81-P269 HydrophobicContact CE1-CG 3.96Å; Y81-P269 PolarHBondContact OH-O 3.49Å; F82-P269 HydrophobicContact CE1-CB 3.68Å; F82-P269 HydrophobicContact CE1-CG 3.9Å; F82-P269 HydrophobicContact CE2-CG 4.25Å; F82-P269 HydrophobicContact CZ-CB 3.47Å; F82-P269 VanDerWaalsContact CZ-CB 3.47Å; F82-P269 HydrophobicContact CZ-CG 3.31Å; F110-P269 HydrophobicContact CE2-CB 4.28Å; F110-P269 HydrophobicContact CE2-CG 4.32Å; F110-P269 HydrophobicContact CZ-CG 4.42Å; V225-P269 HydrophobicContact CB-CB 4.34Å; V225-P269 CarbonylContact O-C 3.51Å; V225-P269 VanDerWaalsContact O-CA 3.32Å; V225-P269 WeakPolarHBondContact O-CA 3.49Å; Y226-P269 HydrophobicContact CD2-CB 4.43Å; Y226-P269 VanDerWaalsContact CE1-CA 3.47Å; Y226-P269 HydrophobicContact CE1-CB 3.97Å; Y226-P269 HydrophobicContact CE2-CB 3.84Å; Y226-P269 WeakPolarHBondContact OH-CD 3.32Å; Q258-P269 PolarHBondContact NE2-O 3.13Å; Q258-P269 VanDerWaalsContact NE2-O 3.16Å |
| 270 | Y | 92.4 | Very high | 89.9 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 142.2 | 170.3 | -58.6 | -58.3 | 0 | 0 | 0 | 111 | F82 V225 D227 Q258 R272 | F82-Y270 VanDerWaalsContact CE1-O 3.31Å; F82-Y270 WeakPolarHBondContact CE1-O 3.4Å; V225-Y270 PolarHBondContact O-N 3.21Å; D227-Y270 VanDerWaalsContact OD2-CE2 3.24Å; D227-Y270 WeakPolarHBondContact OD2-CE2 3.39Å; D227-Y270 VanDerWaalsContact OD2-CZ 3.31Å; D227-Y270 PolarHBondContact OD2-OH 2.99Å; Q258-Y270 HydrophobicContact CB-CD1 4.13Å; Q258-Y270 HydrophobicContact CB-CE1 4.15Å; Q258-Y270 HydrophobicContact CG-CD1 4.37Å; Y270-R272 VanDerWaalsContact C-N 3.34Å; Y270-R272 PolarHBondContact O-N 3.42Å |
| 271 | A | 91.6 | Very high | 90.8 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | trans | -76.2 | 84.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y81 | Y81-A271 HydrophobicContact CE1-CB 4.24Å; Y81-A271 HydrophobicContact CE2-CB 4Å | ||
| 272 | R | 92.4 | Very high | 91.8 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 39% | 0.389 | 27% | 0.273 | S | S | . | . | trans | -117.2 | 138.8 | 178.2 | -61 | -61.3 | -173.4 | -179.7 | -0.3 | 110.4 | F82 E224 V225 Y270 | F82-R272 CarbonylContact C-O 3.51Å; F82-R272 WeakPolarHBondContact CA-O 3.45Å; F82-R272 VanDerWaalsContact O-O 3.09Å; E224-R272 HydrophobicContact CB-CG 4.33Å; V225-R272 HydrophobicContact CG1-CB 4.41Å; Y270-R272 VanDerWaalsContact C-N 3.34Å; Y270-R272 PolarHBondContact O-N 3.42Å | ||
| 273 | P | 95.4 | Very high | 93 | Very high | 92 Ų | 92 | 43.2 Ų | 43.2 | 60% | 0.597 | 27% | 0.267 | S | S | * | . | trans | -56.7 | 136.4 | 170.9 | -25.1 | 35.4 | 0 | 0 | 0 | 111.7 | F82 G221 | F82-P273 CarbonylContact O-C 3.54Å; F82-P273 WeakPolarHBondContact O-CA 3.34Å; G221-P273 WeakPolarHBondContact CA-O 3.27Å | ||
| 274 | I | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -120.1 | 124.3 | 172.9 | -55 | 173.5 | 0 | 0 | 0 | 109 | F82 I84 T85 F110 T219 F220 V225 | F82-I274 HydrophobicContact CB-CD1 3.81Å; F82-I274 HydrophobicContact CB-CG1 4.07Å; F82-I274 HydrophobicContact CD1-CD1 4Å; F82-I274 HydrophobicContact CD2-CD1 4.37Å; F82-I274 HydrophobicContact CG-CD1 3.85Å; F82-I274 HydrophobicContact CG-CG1 4.5Å; F82-I274 PolarHBondContact O-N 3.15Å; I84-I274 CarbonylContact C-O 3.6Å; I84-I274 VanDerWaalsContact CA-O 3.27Å; I84-I274 WeakPolarHBondContact CA-O 3.36Å; I84-I274 HydrophobicContact CD1-CD1 4.36Å; I84-I274 HydrophobicContact CG1-CB 4.22Å; I84-I274 HydrophobicContact CG1-CD1 4.32Å; T85-I274 PolarHBondContact N-O 3.39Å; F110-I274 HydrophobicContact CB-CD1 4.01Å; T219-I274 HydrophobicContact CG2-CG2 3.35Å; F220-I274 CarbonylContact O-C 3.51Å; F220-I274 WeakPolarHBondContact O-CA 3.36Å; V225-I274 HydrophobicContact CG1-CD1 3.83Å; V225-I274 HydrophobicContact CG1-CG1 4.12Å | ||
| 275 | A | 97.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T85 T219 F220 Y317 | T85-A275 WeakPolarHBondContact OG1-CB 3.32Å; T219-A275 CarbonylContact C-O 3.56Å; T219-A275 WeakPolarHBondContact CA-O 3.29Å; F220-A275 PolarHBondContact N-O 3.19Å; F220-A275 PolarHBondContact O-N 3.44Å; A275-Y317 HydrophobicContact CB-CD1 3.59Å; A275-Y317 HydrophobicContact CB-CE1 3.2Å; A275-Y317 HydrophobicContact CB-CE2 4.28Å; A275-Y317 HydrophobicContact CB-CG 4.28Å |
| 276 | T | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 118.9 | 174.2 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | T85 I86 L87 N115 F116 T217 F218 T219 V278 | T85-T276 PolarHBondContact O-N 3.07Å; I86-T276 CarbonylContact C-O 3.42Å; I86-T276 WeakPolarHBondContact CA-O 3.2Å; L87-T276 PolarHBondContact N-O 3.21Å; N115-T276 WeakPolarHBondContact ND2-CB 3.23Å; N115-T276 PolarHBondContact ND2-OG1 2.9Å; F116-T276 HydrophobicContact CZ-CG2 4.04Å; T217-T276 HydrophobicContact CG2-CG2 3.36Å; F218-T276 CarbonylContact O-C 3.57Å; F218-T276 WeakPolarHBondContact O-CA 3.34Å; T219-T276 VanDerWaalsContact CG2-OG1 3.26Å; T219-T276 WeakPolarHBondContact CG2-OG1 3.15Å; T219-T276 PolarHBondContact OG1-OG1 2.86Å; T276-V278 HydrophobicContact CG2-CG2 4.35Å |
| 277 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119 | 171.4 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | L87 T89 T217 F218 F220 L309 H313 Y317 | L87-V277 HydrophobicContact CB-CG2 4.41Å; L87-V277 HydrophobicContact CD2-CG1 4.21Å; L87-V277 HydrophobicContact CD2-CG2 4.26Å; T89-V277 HydrophobicContact CG2-CG1 3.83Å; T217-V277 WeakPolarHBondContact CA-O 3.27Å; F218-V277 PolarHBondContact N-O 2.9Å; F218-V277 VanDerWaalsContact N-O 3.07Å; F218-V277 PolarHBondContact O-N 3.48Å; F220-V277 HydrophobicContact CD2-CG2 4.16Å; F220-V277 HydrophobicContact CE2-CG2 3.87Å; V277-L309 HydrophobicContact CG1-CD1 3.75Å; V277-L309 HydrophobicContact CG1-CD2 4.35Å; V277-L309 HydrophobicContact CG1-CG 4.13Å; V277-H313 HydrophobicContact CG2-CB 4.28Å; V277-Y317 HydrophobicContact CG2-CE2 3.7Å |
| 278 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 111.1 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | I86 L87 T89 M100 F127 V215 T217 T276 | I86-V278 HydrophobicContact CD1-CG2 4.02Å; I86-V278 HydrophobicContact CG1-CG2 4.06Å; L87-V278 PolarHBondContact O-N 3.46Å; T89-V278 WeakPolarHBondContact CB-O 3.28Å; T89-V278 WeakPolarHBondContact CG2-O 3.22Å; T89-V278 PolarHBondContact N-O 3.2Å; T89-V278 PolarHBondContact OG1-O 2.81Å; M100-V278 HydrophobicContact CE-CB 4.46Å; M100-V278 HydrophobicContact CE-CG1 3.73Å; M100-V278 HydrophobicContact CE-CG2 3.94Å; F127-V278 HydrophobicContact CE1-CG1 4.11Å; F127-V278 HydrophobicContact CE2-CG2 4.39Å; F127-V278 HydrophobicContact CZ-CB 3.88Å; F127-V278 HydrophobicContact CZ-CG1 3.83Å; F127-V278 HydrophobicContact CZ-CG2 3.93Å; V215-V278 HydrophobicContact CG1-CG1 3.63Å; T217-V278 HydrophobicContact CG2-CG2 4.26Å; T276-V278 HydrophobicContact CG2-CG2 4.35Å |
| 279 | G | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -74 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T89 P216 | T89-G279 WeakPolarHBondContact OG1-CA 3.4Å; P216-G279 WeakPolarHBondContact O-CA 3.28Å; P216-G279 PolarHBondContact O-N 2.99Å | ||
| 280 | E | 96.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | trans | -65.3 | 133.6 | 176.7 | 172.4 | 166.3 | -153.5 | 0 | 0 | 110.8 | T89 K90 P216 L282 | T89-E280 PolarHBondContact OG1-N 2.91Å; K90-E280 HydrophobicContact CB-CB 4.48Å; K90-E280 HydrophobicContact CD-CB 4.39Å; K90-E280 HydrophobicContact CD-CG 3.7Å; K90-E280 WeakPolarHBondContact CD-OE1 3.41Å; K90-E280 IonicContact NZ-OE1 2.62Å; K90-E280 PolarHBondContact NZ-OE1 3.05Å; P216-E280 VanDerWaalsContact CD-O 3.29Å; P216-E280 WeakPolarHBondContact CD-O 3.36Å; E280-L282 PolarHBondContact O-N 3.14Å | ||
| 281 | P | 97.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | trans | -66.2 | 132.2 | 176.4 | 27 | -35.1 | 0 | 0 | 0 | 111.1 | L92 Y98 H213 L214 V215 P283 | L92-P281 HydrophobicContact CD2-CB 4.05Å; L92-P281 HydrophobicContact CD2-CG 3.75Å; Y98-P281 HydrophobicContact CD1-CB 4.17Å; Y98-P281 HydrophobicContact CE1-CB 3.8Å; Y98-P281 HydrophobicContact CE1-CG 4.34Å; H213-P281 HydrophobicContact CB-CB 4.17Å; L214-P281 CarbonylContact O-C 3.56Å; L214-P281 WeakPolarHBondContact O-CA 3.24Å; V215-P281 HydrophobicContact CG2-CB 4.13Å; P281-P283 WeakPolarHBondContact O-CD 3.46Å | ||
| 282 | L | 97.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -85.8 | 115.5 | 168.8 | -71.3 | 80.9 | 0 | 0 | 0 | 108.5 | H213 L214 P216 E280 L284 L301 A305 | H213-L282 WeakPolarHBondContact CA-O 2.94Å; H213-L282 WeakPolarHBondContact CB-O 3.19Å; L214-L282 HydrophobicContact CB-CB 4.29Å; L214-L282 PolarHBondContact N-O 3.16Å; L214-L282 PolarHBondContact O-N 3.12Å; P216-L282 HydrophobicContact CG-CD1 4.03Å; E280-L282 PolarHBondContact O-N 3.14Å; L282-L284 HydrophobicContact CB-CD1 4.16Å; L282-L284 WeakPolarHBondContact O-CD1 3.26Å; L282-L301 HydrophobicContact CD2-CB 3.86Å; L282-A305 HydrophobicContact CD1-CB 3.87Å; L282-A305 HydrophobicContact CD2-CB 4.4Å |
| 283 | P | 97.7 | Very high | 97.1 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 60% | 0.597 | 31% | 0.305 | S | S | * | . | trans | -69 | 133.7 | 176.3 | -18.8 | 33.7 | 0 | 0 | 0 | 111.2 | P281 | P281-P283 WeakPolarHBondContact O-CD 3.46Š| ||
| 284 | L | 96.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | trans | -122.2 | 138.6 | 179.8 | -90.7 | 69.8 | 0 | 0 | 0 | 109.8 | A207 L208 L214 L282 Y298 | A207-L284 HydrophobicContact CB-CD2 3.68Å; L208-L284 HydrophobicContact CD2-CB 4.21Å; L208-L284 HydrophobicContact CD2-CD2 3.76Å; L208-L284 HydrophobicContact CD2-CG 3.94Å; L208-L284 HydrophobicContact CG-CD2 3.79Å; L214-L284 HydrophobicContact CB-CD1 4.18Å; L214-L284 HydrophobicContact CD1-CD1 4.02Å; L214-L284 HydrophobicContact CD1-CD2 3.92Å; L214-L284 HydrophobicContact CG-CD1 3.87Å; L214-L284 HydrophobicContact CG-CD2 3.85Å; L282-L284 HydrophobicContact CB-CD1 4.16Å; L282-L284 WeakPolarHBondContact O-CD1 3.26Å; L284-Y298 HydrophobicContact CD1-CD1 3.84Å; L284-Y298 HydrophobicContact CD1-CE1 4.16Å; L284-Y298 HydrophobicContact CG-CD1 3.8Å; L284-Y298 HydrophobicContact CG-CE1 3.99Å; L284-Y298 HydrophobicContact CG-CG 4.34Å | ||
| 285 | P | 96.7 | Very high | 97.3 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | trans | -69.6 | 153.4 | 168.9 | 31.8 | -35.2 | 0 | 0 | 0 | 110.2 | L208 I287 Y298 | L208-P285 HydrophobicContact CD2-CG 4.23Å; P285-I287 HydrophobicContact CB-CD1 4.18Å; P285-I287 HydrophobicContact CB-CG1 4.31Å; P285-I287 HydrophobicContact CG-CD1 3.75Å; P285-I287 HydrophobicContact CG-CG1 4.32Å; P285-Y298 WeakPolarHBondContact CD-OH 3.41Å; P285-Y298 HydrophobicContact CG-CE2 4.49Å | ||
| 286 | Q | 97.1 | Very high | 97.3 | Very high | 145 Ų | 145 | 58.3 Ų | 58.3 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | trans | -85.1 | 119.7 | 169.8 | -171.6 | 174.5 | 4.1 | 0 | 0 | 110.5 | L208 Q209 | L208-Q286 CarbonylContact O-C 3.6Å; L208-Q286 WeakPolarHBondContact O-CA 3.23Å; Q209-Q286 WeakPolarHBondContact O-CG 3.49Å; Q209-Q286 PolarHBondContact O-NE2 2.73Å | ||
| 287 | I | 96.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | trans | -141.3 | 113.2 | -177.5 | -61.1 | 170.9 | 0 | 0 | 0 | 108.6 | L208 Q209 P285 N289 P290 M294 | L208-I287 PolarHBondContact O-N 2.98Å; Q209-I287 WeakPolarHBondContact CA-O 3.38Å; P285-I287 HydrophobicContact CB-CD1 4.18Å; P285-I287 HydrophobicContact CB-CG1 4.31Å; P285-I287 HydrophobicContact CG-CD1 3.75Å; P285-I287 HydrophobicContact CG-CG1 4.32Å; I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 3.32Å; I287-P290 HydrophobicContact CG2-CB 4.34Å; I287-P290 WeakPolarHBondContact O-CD 3.13Å; I287-M294 HydrophobicContact CD1-CE 3.72Å; I287-M294 HydrophobicContact CD1-SD 3.16Å; I287-M294 WeakPolarHBondContact CD1-SD 3.37Å | ||
| 288 | E | 94.3 | Very high | 97.4 | Very high | 155 Ų | 155 | 66.4 Ų | 66.4 | 72% | 0.724 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -57.5 | -42.3 | -174.8 | -171 | -178.2 | 178.6 | 0 | 0 | 113.3 | Q209 P290 | Q209-E288 WeakPolarHBondContact CG-O 3.44Å; Q209-E288 PolarHBondContact NE2-O 3.31Å; E288-P290 WeakPolarHBondContact O-CD 3.24Å |
| 289 | N | 96.3 | Very high | 97.4 | Very high | 130 Ų | 130 | 66.6 Ų | 66.6 | 70% | 0.695 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -124.9 | 75.7 | -178 | -68.2 | -61.1 | 0 | 0 | 0 | 110.7 | I287 S291 | I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 3.32Å; N289-S291 PolarHBondContact O-N 2.58Å |
| 290 | P | 97.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | trans | -70.2 | 133.1 | -176.3 | 30.3 | -34.4 | 0 | 0 | 0 | 110.7 | R205 L208 Q209 I287 E288 V295 | R205-P290 HydrophobicContact CG-CG 3.89Å; R205-P290 PolarHBondContact NH1-O 2.95Å; L208-P290 HydrophobicContact CB-CB 4.01Å; L208-P290 HydrophobicContact CB-CG 4.12Å; L208-P290 HydrophobicContact CD1-CB 3.82Å; L208-P290 HydrophobicContact CD1-CG 4.43Å; Q209-P290 HydrophobicContact CG-CG 4.13Å; I287-P290 HydrophobicContact CG2-CB 4.34Å; I287-P290 WeakPolarHBondContact O-CD 3.13Å; E288-P290 WeakPolarHBondContact O-CD 3.24Å; P290-V295 HydrophobicContact CB-CG2 4.16Å; P290-V295 HydrophobicContact CG-CG2 4.24Å | ||
| 291 | S | 97.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 67.3 Ų | 67.3 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | trans | -65.5 | 155.6 | 176 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | N289 E293 M294 V295 | N289-S291 PolarHBondContact O-N 2.58Å; S291-E293 VanDerWaalsContact C-N 3.26Å; S291-E293 PolarHBondContact O-N 3.16Å; S291-M294 PolarHBondContact O-N 2.7Å; S291-M294 WeakPolarHBondContact OG-CB 3.38Å; S291-M294 PolarHBondContact OG-N 3.46Å; S291-V295 WeakPolarHBondContact O-CG2 3.27Å; S291-V295 PolarHBondContact O-N 2.77Å | ||
| 292 | Q | 97.8 | Very high | 97.5 | Very high | 93 Ų | 93 | 66.5 Ų | 66.5 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 178.2 | -172.4 | 59.5 | 52.3 | 0 | 0 | 111.8 | M294 V295 D296 | Q292-M294 VanDerWaalsContact C-N 3.3Å; Q292-M294 PolarHBondContact O-N 2.83Å; Q292-V295 PolarHBondContact O-N 3.01Å; Q292-D296 PolarHBondContact NE2-OD1 2.83Å; Q292-D296 WeakPolarHBondContact O-CB 3.43Å; Q292-D296 PolarHBondContact O-N 2.6Å |
| 293 | E | 97.9 | Very high | 97.5 | Very high | 162 Ų | 162 | 66.4 Ų | 66.4 | 76% | 0.757 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.3 | -40.4 | 176 | -65.3 | 177.6 | 178.1 | 0 | 0 | 112.1 | S291 D296 K297 | S291-E293 VanDerWaalsContact C-N 3.26Å; S291-E293 PolarHBondContact O-N 3.16Å; E293-D296 PolarHBondContact O-N 2.79Å; E293-K297 WeakPolarHBondContact O-CB 3.43Å; E293-K297 PolarHBondContact O-N 2.87Å |
| 294 | M | 97 | Very high | 97.5 | Very high | 58 Ų | 58 | 67.2 Ų | 67.2 | 29% | 0.286 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.3 | -44.4 | 177.8 | -172.9 | 174.3 | -70.6 | 0 | 0 | 111.7 | L208 I287 S291 Q292 D296 K297 Y298 | L208-M294 HydrophobicContact CD1-CG 4.12Å; L208-M294 HydrophobicContact CD2-SD 4.48Å; I287-M294 HydrophobicContact CD1-CE 3.72Å; I287-M294 HydrophobicContact CD1-SD 3.16Å; I287-M294 WeakPolarHBondContact CD1-SD 3.37Å; S291-M294 PolarHBondContact O-N 2.7Å; S291-M294 WeakPolarHBondContact OG-CB 3.38Å; S291-M294 PolarHBondContact OG-N 3.46Å; Q292-M294 VanDerWaalsContact C-N 3.3Å; Q292-M294 PolarHBondContact O-N 2.83Å; M294-D296 PolarHBondContact O-N 3.4Å; M294-K297 PolarHBondContact O-N 2.9Å; M294-Y298 HydrophobicContact CG-CD2 3.83Å; M294-Y298 HydrophobicContact CG-CE2 3.84Å; M294-Y298 WeakPolarHBondContact O-CD2 3.35Å; M294-Y298 PolarHBondContact O-N 2.88Å; M294-Y298 HydrophobicContact SD-CE2 4.49Å |
| 295 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.6 | -43.4 | 173.3 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | K201 V204 R205 L208 P290 S291 Q292 H299 | K201-V295 HydrophobicContact CB-CG1 3.7Å; K201-V295 HydrophobicContact CD-CG1 4.38Å; V204-V295 HydrophobicContact CB-CG1 4.39Å; V204-V295 HydrophobicContact CG1-CG1 4.34Å; R205-V295 HydrophobicContact CB-CG2 4.06Å; R205-V295 HydrophobicContact CG-CG2 4.33Å; L208-V295 HydrophobicContact CD1-CG2 3.98Å; P290-V295 HydrophobicContact CB-CG2 4.16Å; P290-V295 HydrophobicContact CG-CG2 4.24Å; S291-V295 WeakPolarHBondContact O-CG2 3.27Å; S291-V295 PolarHBondContact O-N 2.77Å; Q292-V295 PolarHBondContact O-N 3.01Å; V295-H299 WeakPolarHBondContact O-CB 3.25Å; V295-H299 PolarHBondContact O-N 2.81Å |
| 296 | D | 98.3 | Very high | 97.6 | Very high | 58 Ų | 58 | 65.5 Ų | 65.5 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | -180 | -72.7 | 1.1 | 0 | 0 | 0 | 112.2 | K201 Q292 E293 M294 H299 A300 | K201-D296 WeakPolarHBondContact CD-OD1 3.29Å; K201-D296 WeakPolarHBondContact CE-OD1 3.15Å; K201-D296 IonicContact NZ-OD1 3.06Å; K201-D296 PolarHBondContact NZ-OD1 3.25Å; K201-D296 IonicContact NZ-OD2 3.72Å; K201-D296 PolarHBondContact NZ-OD2 3.27Å; Q292-D296 PolarHBondContact NE2-OD1 2.83Å; Q292-D296 WeakPolarHBondContact O-CB 3.43Å; Q292-D296 PolarHBondContact O-N 2.6Å; E293-D296 PolarHBondContact O-N 2.79Å; M294-D296 PolarHBondContact O-N 3.4Å; D296-H299 PolarHBondContact O-N 3.1Å; D296-A300 WeakPolarHBondContact O-CB 3.12Å; D296-A300 PolarHBondContact O-N 3.16Å |
| 297 | K | 98.1 | Very high | 97.6 | Very high | 131 Ų | 131 | 61.3 Ų | 61.3 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.3 | -53.9 | 174.6 | 178 | -175.4 | 175.3 | -177.1 | 0 | 111.6 | E293 M294 H299 A300 L301 | E293-K297 WeakPolarHBondContact O-CB 3.43Å; E293-K297 PolarHBondContact O-N 2.87Å; M294-K297 PolarHBondContact O-N 2.9Å; K297-H299 VanDerWaalsContact C-N 3.31Å; K297-H299 PolarHBondContact O-N 3.24Å; K297-A300 PolarHBondContact O-N 3.41Å; K297-L301 WeakPolarHBondContact O-CG 3.35Å; K297-L301 PolarHBondContact O-N 3.48Å |
| 298 | Y | 98.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.4 | -30.9 | -178.5 | -79.9 | -80 | 0 | 0 | 0 | 112.6 | L208 L284 P285 M294 L301 Y302 | L208-Y298 HydrophobicContact CD1-CD2 4.22Å; L208-Y298 HydrophobicContact CD2-CD2 3.76Å; L208-Y298 HydrophobicContact CD2-CE2 3.88Å; L208-Y298 HydrophobicContact CD2-CG 4.28Å; L284-Y298 HydrophobicContact CD1-CD1 3.84Å; L284-Y298 HydrophobicContact CD1-CE1 4.16Å; L284-Y298 HydrophobicContact CG-CD1 3.8Å; L284-Y298 HydrophobicContact CG-CE1 3.99Å; L284-Y298 HydrophobicContact CG-CG 4.34Å; P285-Y298 WeakPolarHBondContact CD-OH 3.41Å; P285-Y298 HydrophobicContact CG-CE2 4.49Å; M294-Y298 HydrophobicContact CG-CD2 3.83Å; M294-Y298 HydrophobicContact CG-CE2 3.84Å; M294-Y298 WeakPolarHBondContact O-CD2 3.35Å; M294-Y298 PolarHBondContact O-N 2.88Å; M294-Y298 HydrophobicContact SD-CE2 4.49Å; Y298-L301 HydrophobicContact CD1-CD1 4.21Å; Y298-L301 HydrophobicContact CE1-CD1 4.5Å; Y298-L301 PolarHBondContact O-N 3.19Å; Y298-Y302 WeakPolarHBondContact O-CB 3.43Å; Y298-Y302 PolarHBondContact O-N 2.97Å |
| 299 | H | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 172.6 | -174.3 | -95.6 | 0 | 0 | 0 | 111.9 | L197 Q198 K201 V204 V295 D296 K297 Y302 M303 | L197-H299 PolarHBondContact O-CE1 2.92Å; L197-H299 PolarHBondContact O-NE2 2.89Å; L197-H299 VanDerWaalsContact O-NE2 3.07Å; Q198-H299 PolarHBondContact O-CE1 2.84Å; K201-H299 HydrophobicContact CD-CB 4.46Å; K201-H299 HydrophobicContact CG-CB 4.43Å; V204-H299 HydrophobicContact CG2-CB 4.03Å; V295-H299 WeakPolarHBondContact O-CB 3.25Å; V295-H299 PolarHBondContact O-N 2.81Å; D296-H299 PolarHBondContact O-N 3.1Å; K297-H299 VanDerWaalsContact C-N 3.31Å; K297-H299 PolarHBondContact O-N 3.24Å; H299-Y302 PolarHBondContact O-N 3.44Å; H299-M303 PolarHBondContact CE1-SD 3.41Å; H299-M303 PolarHBondContact ND1-SD 3.45Å; H299-M303 VanDerWaalsContact O-CG 3.3Å; H299-M303 WeakPolarHBondContact O-CG 3.27Å; H299-M303 PolarHBondContact O-N 2.89Å |
| 300 | A | 98.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D296 K297 Y302 M303 D304 | D296-A300 WeakPolarHBondContact O-CB 3.12Å; D296-A300 PolarHBondContact O-N 3.16Å; K297-A300 PolarHBondContact O-N 3.41Å; A300-Y302 VanDerWaalsContact C-N 3.29Å; A300-Y302 PolarHBondContact O-N 2.88Å; A300-M303 PolarHBondContact O-N 3.1Å; A300-M303 VanDerWaalsContact O-N 3.14Å; A300-D304 PolarHBondContact O-N 3.17Å |
| 301 | L | 98.3 | Very high | 97.7 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 175.2 | -68.3 | 173.9 | 0 | 0 | 0 | 112.4 | L282 K297 Y298 A305 | L282-L301 HydrophobicContact CD2-CB 3.86Å; K297-L301 WeakPolarHBondContact O-CG 3.35Å; K297-L301 PolarHBondContact O-N 3.48Å; Y298-L301 HydrophobicContact CD1-CD1 4.21Å; Y298-L301 HydrophobicContact CE1-CD1 4.5Å; Y298-L301 PolarHBondContact O-N 3.19Å; L301-A305 WeakPolarHBondContact O-CB 3.24Å; L301-A305 PolarHBondContact O-N 3.23Å |
| 302 | Y | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 175.4 | 176.2 | -88 | 0 | 0 | 0 | 112 | G101 H103 L197 F203 L214 P216 Y298 H299 A300 A305 L306 | G101-Y302 WeakPolarHBondContact CA-OH 3.18Å; G101-Y302 PolarHBondContact O-OH 2.78Å; H103-Y302 PolarHBondContact CD2-OH 3.28Å; H103-Y302 AromaticContact NE2-CE1 3.95Å; H103-Y302 AromaticContact NE2-CZ 3.86Å; H103-Y302 PolarHBondContact NE2-OH 2.85Å; L197-Y302 HydrophobicContact CD1-CE1 4.27Å; L197-Y302 HydrophobicContact CD2-CD1 4.19Å; L197-Y302 HydrophobicContact CD2-CE1 3.86Å; F203-Y302 HydrophobicContact CE2-CD1 4.17Å; F203-Y302 HydrophobicContact CE2-CD2 4.12Å; F203-Y302 HydrophobicContact CE2-CE1 4.19Å; F203-Y302 HydrophobicContact CE2-CE2 4.07Å; F203-Y302 HydrophobicContact CE2-CG 4.16Å; F203-Y302 AromaticContact CZ-CD1 3.68Å; F203-Y302 HydrophobicContact CZ-CD1 3.68Å; F203-Y302 HydrophobicContact CZ-CD2 4.44Å; F203-Y302 AromaticContact CZ-CE1 3.75Å; F203-Y302 HydrophobicContact CZ-CE1 3.75Å; F203-Y302 HydrophobicContact CZ-CE2 4.45Å; F203-Y302 HydrophobicContact CZ-CG 4.07Å; L214-Y302 HydrophobicContact CB-CD2 3.89Å; L214-Y302 HydrophobicContact CB-CE2 4.42Å; L214-Y302 HydrophobicContact CD1-CD2 4.15Å; L214-Y302 HydrophobicContact CD1-CG 4.47Å; P216-Y302 HydrophobicContact CB-CD2 4.45Å; P216-Y302 HydrophobicContact CB-CE2 3.96Å; Y298-Y302 WeakPolarHBondContact O-CB 3.43Å; Y298-Y302 PolarHBondContact O-N 2.97Å; H299-Y302 PolarHBondContact O-N 3.44Å; A300-Y302 VanDerWaalsContact C-N 3.29Å; A300-Y302 PolarHBondContact O-N 2.88Å; Y302-A305 PolarHBondContact O-N 3.49Å; Y302-L306 HydrophobicContact CE1-CD2 4.19Å; Y302-L306 WeakPolarHBondContact O-CB 3.35Å; Y302-L306 PolarHBondContact O-N 3.1Å |
| 303 | M | 97.7 | Very high | 97.6 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.9 | -71.1 | 174.1 | 72.5 | 0 | 0 | 111.6 | L197 H299 A300 L306 H307 F327 | L197-M303 HydrophobicContact CD2-CG 3.88Å; L197-M303 HydrophobicContact CG-CG 4.2Å; H299-M303 PolarHBondContact CE1-SD 3.41Å; H299-M303 PolarHBondContact ND1-SD 3.45Å; H299-M303 VanDerWaalsContact O-CG 3.3Å; H299-M303 WeakPolarHBondContact O-CG 3.27Å; H299-M303 PolarHBondContact O-N 2.89Å; A300-M303 PolarHBondContact O-N 3.1Å; A300-M303 VanDerWaalsContact O-N 3.14Å; M303-L306 PolarHBondContact O-N 3.16Å; M303-H307 WeakPolarHBondContact O-CB 3.45Å; M303-H307 PolarHBondContact O-N 3.36Å; M303-F327 HydrophobicContact CB-CD2 4.39Å; M303-F327 HydrophobicContact CB-CE2 3.9Å; M303-F327 HydrophobicContact CB-CZ 4.28Å; M303-F327 HydrophobicContact CE-CB 3.51Å; M303-F327 HydrophobicContact CE-CD1 4.37Å; M303-F327 HydrophobicContact CE-CD2 3.14Å; M303-F327 HydrophobicContact CE-CE2 3.86Å; M303-F327 HydrophobicContact CE-CG 3.44Å; M303-F327 VanDerWaalsContact CE-CG 3.44Å; M303-F327 HydrophobicContact CG-CE2 4.41Å |
| 304 | D | 97.9 | Very high | 97.4 | Very high | 109 Ų | 109 | 47.6 Ų | 47.6 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.3 | -43.5 | 177 | -71.3 | -12.3 | 0 | 0 | 0 | 111.2 | A300 L306 H307 K308 | A300-D304 PolarHBondContact O-N 3.17Å; D304-L306 VanDerWaalsContact C-N 3.35Å; D304-L306 PolarHBondContact O-N 3.41Å; D304-H307 PolarHBondContact O-N 3.19Å; D304-K308 WeakPolarHBondContact O-CB 3.39Å; D304-K308 PolarHBondContact O-N 2.94Å |
| 305 | A | 97.8 | Very high | 97.3 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | P216 L282 L301 Y302 K308 L309 | P216-A305 HydrophobicContact CG-CB 4.03Å; L282-A305 HydrophobicContact CD1-CB 3.87Å; L282-A305 HydrophobicContact CD2-CB 4.4Å; L301-A305 WeakPolarHBondContact O-CB 3.24Å; L301-A305 PolarHBondContact O-N 3.23Å; Y302-A305 PolarHBondContact O-N 3.49Å; A305-K308 PolarHBondContact O-N 3.5Å; A305-L309 WeakPolarHBondContact O-CB 3.46Å; A305-L309 PolarHBondContact O-N 2.82Å |
| 306 | L | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.9 | -176.7 | 61.2 | 0 | 0 | 0 | 112.1 | L195 L197 P216 F218 Y302 M303 D304 L309 F310 L325 F327 | L195-L306 HydrophobicContact CD1-CD2 3.84Å; L197-L306 HydrophobicContact CD2-CD2 3.81Å; P216-L306 HydrophobicContact CB-CB 4.07Å; P216-L306 HydrophobicContact CB-CD1 4.16Å; F218-L306 HydrophobicContact CB-CD1 4.19Å; F218-L306 HydrophobicContact CD2-CD1 4.39Å; Y302-L306 HydrophobicContact CE1-CD2 4.19Å; Y302-L306 WeakPolarHBondContact O-CB 3.35Å; Y302-L306 PolarHBondContact O-N 3.1Å; M303-L306 PolarHBondContact O-N 3.16Å; D304-L306 VanDerWaalsContact C-N 3.35Å; D304-L306 PolarHBondContact O-N 3.41Å; L306-L309 PolarHBondContact O-N 3.13Å; L306-F310 PolarHBondContact O-N 2.85Å; L306-L325 HydrophobicContact CG-CD2 4.07Å; L306-F327 HydrophobicContact CD2-CE1 3.94Å; L306-F327 HydrophobicContact CD2-CZ 4.34Å |
| 307 | H | 96.4 | Very high | 96.9 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 176.3 | -164.8 | -64.3 | 0 | 0 | 0 | 111.3 | M303 D304 F310 D311 F327 | M303-H307 WeakPolarHBondContact O-CB 3.45Å; M303-H307 PolarHBondContact O-N 3.36Å; D304-H307 PolarHBondContact O-N 3.19Å; H307-F310 PolarHBondContact O-N 2.85Å; H307-D311 IonicContact CE1-OD2 3.78Å; H307-D311 PolarHBondContact CE1-OD2 3.3Å; H307-D311 IonicContact ND1-OD2 3.64Å; H307-D311 PolarHBondContact ND1-OD2 3.06Å; H307-D311 PolarHBondContact O-N 3.43Å; H307-F327 HydrophobicContact CB-CE2 4.41Å; H307-F327 HydrophobicContact CB-CZ 4.38Å |
| 308 | K | 96.9 | Very high | 96.5 | Very high | 134 Ų | 134 | 53.2 Ų | 53.2 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 175.1 | -175.8 | 179.8 | 177.9 | -174.7 | 0 | 111.6 | D304 A305 F310 D311 Q312 | D304-K308 WeakPolarHBondContact O-CB 3.39Å; D304-K308 PolarHBondContact O-N 2.94Å; A305-K308 PolarHBondContact O-N 3.5Å; K308-F310 VanDerWaalsContact C-N 3.32Å; K308-F310 PolarHBondContact O-N 2.86Å; K308-D311 PolarHBondContact O-N 3.4Å; K308-Q312 VanDerWaalsContact CE-NE2 3.32Å; K308-Q312 HydrophobicContact CG-CG 4.42Å; K308-Q312 WeakPolarHBondContact O-CB 3.47Å; K308-Q312 VanDerWaalsContact O-CG 3.22Å; K308-Q312 WeakPolarHBondContact O-CG 3.47Å; K308-Q312 PolarHBondContact O-N 2.73Å |
| 309 | L | 97.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.7 | -170 | 72.3 | 0 | 0 | 0 | 111.1 | T89 V277 A305 L306 H313 | T89-L309 HydrophobicContact CG2-CD1 4.04Å; V277-L309 HydrophobicContact CG1-CD1 3.75Å; V277-L309 HydrophobicContact CG1-CD2 4.35Å; V277-L309 HydrophobicContact CG1-CG 4.13Å; A305-L309 WeakPolarHBondContact O-CB 3.46Å; A305-L309 PolarHBondContact O-N 2.82Å; L306-L309 PolarHBondContact O-N 3.13Å; L309-H313 PolarHBondContact O-CD2 3.17Å; L309-H313 VanDerWaalsContact O-CD2 3.24Å; L309-H313 PolarHBondContact O-N 3.42Å |
| 310 | F | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -53.6 | 175.4 | 175 | -95.8 | 0 | 0 | 0 | 111.3 | T193 F218 F220 L306 H307 K308 Q312 H313 K314 Q323 L325 | T193-F310 HydrophobicContact CG2-CE2 3.59Å; T193-F310 HydrophobicContact CG2-CZ 3.57Å; F218-F310 HydrophobicContact CD1-CD2 4.08Å; F218-F310 HydrophobicContact CD2-CD2 4.27Å; F218-F310 AromaticContact CE1-CD2 3.73Å; F218-F310 HydrophobicContact CE1-CD2 3.73Å; F218-F310 AromaticContact CE1-CE2 3.96Å; F218-F310 HydrophobicContact CE1-CE2 3.96Å; F218-F310 AromaticContact CE2-CD2 3.93Å; F218-F310 HydrophobicContact CE2-CD2 3.93Å; F218-F310 HydrophobicContact CE2-CE2 4.47Å; F218-F310 HydrophobicContact CG-CD2 4.34Å; F218-F310 AromaticContact CZ-CD2 3.65Å; F218-F310 HydrophobicContact CZ-CD2 3.65Å; F218-F310 AromaticContact CZ-CE2 3.82Å; F218-F310 HydrophobicContact CZ-CE2 3.82Å; F220-F310 HydrophobicContact CD1-CE2 4.45Å; F220-F310 AromaticContact CE1-CD2 3.65Å; F220-F310 HydrophobicContact CE1-CD2 3.65Å; F220-F310 AromaticContact CE1-CE2 3.62Å; F220-F310 HydrophobicContact CE1-CE2 3.62Å; F220-F310 AromaticContact CZ-CD2 3.91Å; F220-F310 HydrophobicContact CZ-CD2 3.91Å; F220-F310 HydrophobicContact CZ-CE2 4.34Å; L306-F310 PolarHBondContact O-N 2.85Å; H307-F310 PolarHBondContact O-N 2.85Å; K308-F310 VanDerWaalsContact C-N 3.32Å; K308-F310 PolarHBondContact O-N 2.86Å; F310-Q312 VanDerWaalsContact C-N 3.29Å; F310-Q312 PolarHBondContact O-N 2.7Å; F310-H313 PolarHBondContact O-N 3.25Å; F310-H313 VanDerWaalsContact O-N 3.11Å; F310-K314 HydrophobicContact CD1-CB 4.36Å; F310-K314 HydrophobicContact CD1-CD 4.06Å; F310-K314 HydrophobicContact CE1-CB 3.96Å; F310-K314 HydrophobicContact CE1-CD 3.51Å; F310-K314 HydrophobicContact CE1-CG 4.37Å; F310-K314 HydrophobicContact CE2-CB 4.1Å; F310-K314 HydrophobicContact CZ-CB 3.8Å; F310-K314 HydrophobicContact CZ-CD 4.07Å; F310-K314 VanDerWaalsContact O-CB 3.28Å; F310-K314 WeakPolarHBondContact O-CB 3.5Å; F310-K314 PolarHBondContact O-N 3.2Å; F310-Q323 HydrophobicContact CZ-CG 4.35Å; F310-L325 HydrophobicContact CB-CB 4.44Å; F310-L325 HydrophobicContact CB-CD2 3.98Å; F310-L325 HydrophobicContact CD1-CB 3.8Å; F310-L325 HydrophobicContact CD2-CD1 4.33Å; F310-L325 HydrophobicContact CE1-CB 4.26Å; F310-L325 HydrophobicContact CG-CB 4.07Å; F310-L325 HydrophobicContact CG-CD1 4.38Å; F310-L325 HydrophobicContact CG-CD2 4.35Å |
| 311 | D | 96.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.5 | -37.3 | -176.8 | -81.2 | -31.7 | 0 | 0 | 0 | 113.5 | H307 K308 H313 K314 | H307-D311 IonicContact CE1-OD2 3.78Å; H307-D311 PolarHBondContact CE1-OD2 3.3Å; H307-D311 IonicContact ND1-OD2 3.64Å; H307-D311 PolarHBondContact ND1-OD2 3.06Å; H307-D311 PolarHBondContact O-N 3.43Å; K308-D311 PolarHBondContact O-N 3.4Å; D311-H313 VanDerWaalsContact C-N 3.29Å; D311-H313 PolarHBondContact O-N 3.47Å; D311-K314 IonicContact OD1-NZ 3.17Å; D311-K314 PolarHBondContact OD1-NZ 2.62Å |
| 312 | Q | 96.9 | Very high | 94.9 | Very high | 116 Ų | 116 | 62.7 Ų | 62.7 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.5 | -29.2 | 179 | -75.4 | 176.1 | -23.3 | 0 | 0 | 113.5 | K308 F310 | K308-Q312 VanDerWaalsContact CE-NE2 3.32Å; K308-Q312 HydrophobicContact CG-CG 4.42Å; K308-Q312 WeakPolarHBondContact O-CB 3.47Å; K308-Q312 VanDerWaalsContact O-CG 3.22Å; K308-Q312 WeakPolarHBondContact O-CG 3.47Å; K308-Q312 PolarHBondContact O-N 2.73Å; F310-Q312 VanDerWaalsContact C-N 3.29Å; F310-Q312 PolarHBondContact O-N 2.7Å |
| 313 | H | 96.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -113.2 | -15.5 | -170.8 | -70.2 | -81.8 | 0 | 0 | 0 | 114 | F220 V277 L309 F310 D311 T315 H316 Y317 | F220-H313 HydrophobicContact CE2-CB 3.83Å; F220-H313 HydrophobicContact CZ-CB 3.9Å; V277-H313 HydrophobicContact CG2-CB 4.28Å; L309-H313 PolarHBondContact O-CD2 3.17Å; L309-H313 VanDerWaalsContact O-CD2 3.24Å; L309-H313 PolarHBondContact O-N 3.42Å; F310-H313 PolarHBondContact O-N 3.25Å; F310-H313 VanDerWaalsContact O-N 3.11Å; D311-H313 VanDerWaalsContact C-N 3.29Å; D311-H313 PolarHBondContact O-N 3.47Å; H313-T315 PolarHBondContact O-N 2.9Å; H313-H316 WeakPolarHBondContact O-CB 3.36Å; H313-H316 PolarHBondContact O-N 3.08Å; H313-Y317 HydrophobicContact CB-CD2 4.1Å; H313-Y317 HydrophobicContact CB-CE2 4.04Å; H313-Y317 VanDerWaalsContact O-CD2 3.3Å; H313-Y317 WeakPolarHBondContact O-CD2 3.18Å; H313-Y317 PolarHBondContact O-N 2.94Å |
| 314 | K | 94.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 69.3 Ų | 69.3 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -43.2 | -170.4 | 72.8 | -175 | 176.7 | -171.7 | 0 | 114.1 | F220 F310 D311 H316 Y317 G318 C319 E321 Q323 | F220-K314 HydrophobicContact CE1-CB 4.08Å; F310-K314 HydrophobicContact CD1-CB 4.36Å; F310-K314 HydrophobicContact CD1-CD 4.06Å; F310-K314 HydrophobicContact CE1-CB 3.96Å; F310-K314 HydrophobicContact CE1-CD 3.51Å; F310-K314 HydrophobicContact CE1-CG 4.37Å; F310-K314 HydrophobicContact CE2-CB 4.1Å; F310-K314 HydrophobicContact CZ-CB 3.8Å; F310-K314 HydrophobicContact CZ-CD 4.07Å; F310-K314 VanDerWaalsContact O-CB 3.28Å; F310-K314 WeakPolarHBondContact O-CB 3.5Å; F310-K314 PolarHBondContact O-N 3.2Å; D311-K314 IonicContact OD1-NZ 3.17Å; D311-K314 PolarHBondContact OD1-NZ 2.62Å; K314-H316 PolarHBondContact O-N 3.41Å; K314-Y317 CarbonylContact O-C 3.58Å; K314-Y317 PolarHBondContact O-N 3.02Å; K314-G318 PolarHBondContact O-N 3.41Å; K314-C319 HydrophobicContact CB-CB 3.73Å; K314-C319 HydrophobicContact CG-CB 4.34Å; K314-C319 VanDerWaalsContact O-CB 3.28Å; K314-C319 WeakPolarHBondContact O-CB 3.27Å; K314-C319 PolarHBondContact O-N 3.06Å; K314-E321 WeakPolarHBondContact CE-O 3.04Å; K314-E321 PolarHBondContact NZ-O 2.82Å; K314-Q323 PolarHBondContact NZ-O 3.46Å |
| 315 | T | 94.7 | Very high | 93.9 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -35.3 | -177.4 | 53.1 | 0 | 0 | 0 | 0 | 112 | H313 Y317 G318 E321 | H313-T315 PolarHBondContact O-N 2.9Å; T315-Y317 PolarHBondContact O-N 2.87Å; T315-G318 PolarHBondContact O-N 2.98Å; T315-E321 HydrophobicContact CG2-CB 4.21Å |
| 316 | H | 94.9 | Very high | 93.6 | Very high | 146 Ų | 146 | 68.6 Ų | 68.6 | 68% | 0.676 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33.3 | 175.7 | -176.6 | 70.9 | 0 | 0 | 0 | 112.2 | H313 K314 | H313-H316 WeakPolarHBondContact O-CB 3.36Å; H313-H316 PolarHBondContact O-N 3.08Å; K314-H316 PolarHBondContact O-N 3.41Å |
| 317 | Y | 92.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 70.4 Ų | 70.4 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 17.6 | 179.6 | -62.4 | -63.8 | 0 | 0 | 0 | 114 | F220 A275 V277 H313 K314 T315 | F220-Y317 HydrophobicContact CB-CD2 4.34Å; F220-Y317 HydrophobicContact CB-CG 4.03Å; F220-Y317 HydrophobicContact CD1-CD2 4.4Å; F220-Y317 AromaticContact CD2-CD2 3.36Å; F220-Y317 HydrophobicContact CD2-CD2 3.36Å; F220-Y317 AromaticContact CD2-CE2 3.93Å; F220-Y317 HydrophobicContact CD2-CE2 3.93Å; F220-Y317 AromaticContact CD2-CG 3.94Å; F220-Y317 HydrophobicContact CD2-CG 3.94Å; F220-Y317 AromaticContact CE2-CD2 3.65Å; F220-Y317 HydrophobicContact CE2-CD2 3.65Å; F220-Y317 HydrophobicContact CE2-CE2 4.12Å; F220-Y317 AromaticContact CG-CD2 3.78Å; F220-Y317 HydrophobicContact CG-CD2 3.78Å; F220-Y317 AromaticContact CG-CG 3.92Å; F220-Y317 HydrophobicContact CG-CG 3.92Å; F220-Y317 HydrophobicContact CZ-CD2 4.28Å; A275-Y317 HydrophobicContact CB-CD1 3.59Å; A275-Y317 HydrophobicContact CB-CE1 3.2Å; A275-Y317 HydrophobicContact CB-CE2 4.28Å; A275-Y317 HydrophobicContact CB-CG 4.28Å; V277-Y317 HydrophobicContact CG2-CE2 3.7Å; H313-Y317 HydrophobicContact CB-CD2 4.1Å; H313-Y317 HydrophobicContact CB-CE2 4.04Å; H313-Y317 VanDerWaalsContact O-CD2 3.3Å; H313-Y317 WeakPolarHBondContact O-CD2 3.18Å; H313-Y317 PolarHBondContact O-N 2.94Å; K314-Y317 CarbonylContact O-C 3.58Å; K314-Y317 PolarHBondContact O-N 3.02Å; T315-Y317 PolarHBondContact O-N 2.87Å |
| 318 | G | 89.1 | Confident | 92.8 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 73% | 0.732 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 5.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K314 T315 | K314-G318 PolarHBondContact O-N 3.41Å; T315-G318 PolarHBondContact O-N 2.98Å |
| 319 | C | 90 | Very high | 92.6 | Very high | 26 Ų | 26 | 69.1 Ų | 69.1 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | trans | -75.3 | 153.6 | 168.7 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | K314 Q323 | K314-C319 HydrophobicContact CB-CB 3.73Å; K314-C319 HydrophobicContact CG-CB 4.34Å; K314-C319 VanDerWaalsContact O-CB 3.28Å; K314-C319 WeakPolarHBondContact O-CB 3.27Å; K314-C319 PolarHBondContact O-N 3.06Å; C319-Q323 HydrophobicContact CB-CB 4.47Å | ||
| 320 | S | 90.2 | Very high | 92.3 | Very high | 57 Ų | 57 | 72.3 Ų | 72.3 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | trans | -72 | 153.4 | 174.9 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | T322 Q323 | S320-T322 PolarHBondContact O-N 3.31Å; S320-T322 PolarHBondContact OG-OG1 3.45Å; S320-T322 VanDerWaalsContact OG-OG1 3.07Å; S320-Q323 VanDerWaalsContact O-CB 3.29Å; S320-Q323 WeakPolarHBondContact O-CB 3.22Å; S320-Q323 PolarHBondContact O-N 3Å; S320-Q323 VanDerWaalsContact O-N 3.08Å; S320-Q323 WeakPolarHBondContact OG-CB 3.46Å; S320-Q323 PolarHBondContact OG-N 2.94Å; S320-Q323 VanDerWaalsContact OG-N 3.11Å | ||
| 321 | E | 89.7 | Confident | 92.1 | Very high | 160 Ų | 160 | 76.3 Ų | 76.3 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -31.5 | 175.5 | -170.4 | 172.5 | -174.7 | 0 | 0 | 112.3 | K314 T315 | K314-E321 WeakPolarHBondContact CE-O 3.04Å; K314-E321 PolarHBondContact NZ-O 2.82Å; T315-E321 HydrophobicContact CG2-CB 4.21Å |
| 322 | T | 89.8 | Confident | 91.9 | Very high | 121 Ų | 121 | 77.4 Ų | 77.4 | 74% | 0.742 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.3 | 178.1 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | S320 | S320-T322 PolarHBondContact O-N 3.31Å; S320-T322 PolarHBondContact OG-OG1 3.45Å; S320-T322 VanDerWaalsContact OG-OG1 3.07Å |
| 323 | Q | 90.4 | Very high | 91.5 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | trans | -67.3 | 133.6 | 179.3 | -169.6 | 164.3 | -10.9 | 0 | 0 | 110 | T193 F310 K314 C319 S320 | T193-Q323 HydrophobicContact CG2-CG 4.29Å; F310-Q323 HydrophobicContact CZ-CG 4.35Å; K314-Q323 PolarHBondContact NZ-O 3.46Å; C319-Q323 HydrophobicContact CB-CB 4.47Å; S320-Q323 VanDerWaalsContact O-CB 3.29Å; S320-Q323 WeakPolarHBondContact O-CB 3.22Å; S320-Q323 PolarHBondContact O-N 3Å; S320-Q323 VanDerWaalsContact O-N 3.08Å; S320-Q323 WeakPolarHBondContact OG-CB 3.46Å; S320-Q323 PolarHBondContact OG-N 2.94Å; S320-Q323 VanDerWaalsContact OG-N 3.11Å | ||
| 324 | K | 90.2 | Very high | 91.2 | Very high | 127 Ų | 127 | 77.7 Ų | 77.7 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | trans | -116.8 | 150.1 | -177.1 | -65.6 | -172.8 | 178.7 | -175.9 | 0 | 111.1 | T193 F326 | T193-K324 WeakPolarHBondContact CB-O 3.22Å; T193-K324 PolarHBondContact OG1-O 3.2Å; K324-F326 HydrophobicContact CB-CE1 4.37Å; K324-F326 HydrophobicContact CB-CE2 3.93Å; K324-F326 HydrophobicContact CB-CZ 3.81Å | ||
| 325 | L | 92.3 | Very high | 91 | Very high | 6 Ų | 6 | 82.1 Ų | 82.1 | 3% | 0.031 | 44% | 0.44 | C | S | . | . | trans | -88.1 | 125.2 | 170.8 | -170.9 | 69.6 | 0 | 0 | 0 | 109.2 | T193 L195 F218 L306 F310 F327 | T193-L325 WeakPolarHBondContact O-CA 3.41Å; T193-L325 WeakPolarHBondContact O-CD1 3.34Å; L195-L325 HydrophobicContact CD1-CD1 3.8Å; L195-L325 HydrophobicContact CD1-CD2 4.24Å; L195-L325 HydrophobicContact CD1-CG 4.35Å; L195-L325 HydrophobicContact CG-CD1 4Å; F218-L325 HydrophobicContact CD2-CD1 4.39Å; F218-L325 HydrophobicContact CE2-CD1 3.63Å; F218-L325 HydrophobicContact CZ-CD1 4.34Å; L306-L325 HydrophobicContact CG-CD2 4.07Å; F310-L325 HydrophobicContact CB-CB 4.44Å; F310-L325 HydrophobicContact CB-CD2 3.98Å; F310-L325 HydrophobicContact CD1-CB 3.8Å; F310-L325 HydrophobicContact CD2-CD1 4.33Å; F310-L325 HydrophobicContact CE1-CB 4.26Å; F310-L325 HydrophobicContact CG-CB 4.07Å; F310-L325 HydrophobicContact CG-CD1 4.38Å; F310-L325 HydrophobicContact CG-CD2 4.35Å; L325-F327 HydrophobicContact CD2-CE1 3.57Å; L325-F327 HydrophobicContact CD2-CZ 3.57Å; L325-F327 HydrophobicContact CG-CE1 3.91Å; L325-F327 HydrophobicContact CG-CZ 4.13Å | ||
| 326 | F | 91.3 | Very high | 90.7 | Very high | 115 Ų | 115 | 82.2 Ų | 82.2 | 50% | 0.504 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.2 | 179 | -62.4 | -78.6 | 0 | 0 | 0 | 110.6 | T193 T194 L195 K324 | T193-F326 PolarHBondContact O-N 3.15Å; T194-F326 CarbonylContact C-O 3.56Å; T194-F326 WeakPolarHBondContact CA-O 3.41Å; T194-F326 HydrophobicContact CG2-CB 4.42Å; L195-F326 PolarHBondContact N-O 3.02Å; K324-F326 HydrophobicContact CB-CE1 4.37Å; K324-F326 HydrophobicContact CB-CE2 3.93Å; K324-F326 HydrophobicContact CB-CZ 3.81Å |
| 327 | F | 91.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 17% | 0.167 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.9 | 177.2 | -55.8 | -57.4 | 0 | 0 | 0 | 110.3 | L195 L197 Q198 M303 L306 H307 L325 | L195-F327 HydrophobicContact CB-CD1 4.17Å; L195-F327 HydrophobicContact CD1-CD1 4.48Å; L195-F327 HydrophobicContact CD1-CE1 4.08Å; L195-F327 CarbonylContact O-C 3.42Å; L195-F327 WeakPolarHBondContact O-CA 3.1Å; L197-F327 HydrophobicContact CB-CD1 4.11Å; L197-F327 HydrophobicContact CD2-CD1 3.94Å; L197-F327 HydrophobicContact CD2-CE1 3.83Å; Q198-F327 HydrophobicContact CB-CB 4.4Å; M303-F327 HydrophobicContact CB-CD2 4.39Å; M303-F327 HydrophobicContact CB-CE2 3.9Å; M303-F327 HydrophobicContact CB-CZ 4.28Å; M303-F327 HydrophobicContact CE-CB 3.51Å; M303-F327 HydrophobicContact CE-CD1 4.37Å; M303-F327 HydrophobicContact CE-CD2 3.14Å; M303-F327 HydrophobicContact CE-CE2 3.86Å; M303-F327 HydrophobicContact CE-CG 3.44Å; M303-F327 VanDerWaalsContact CE-CG 3.44Å; M303-F327 HydrophobicContact CG-CE2 4.41Å; L306-F327 HydrophobicContact CD2-CE1 3.94Å; L306-F327 HydrophobicContact CD2-CZ 4.34Å; H307-F327 HydrophobicContact CB-CE2 4.41Å; H307-F327 HydrophobicContact CB-CZ 4.38Å; L325-F327 HydrophobicContact CD2-CE1 3.57Å; L325-F327 HydrophobicContact CD2-CZ 3.57Å; L325-F327 HydrophobicContact CG-CE1 3.91Å; L325-F327 HydrophobicContact CG-CZ 4.13Å |
| 328 | L | 86.6 | Confident | 90.1 | Very high | 94 Ų | 94 | 77.6 Ų | 77.6 | 49% | 0.492 | 43% | 0.43 | S | S | . | . | trans | -108.2 | 0 | 176 | -63.9 | -177.4 | 0 | 0 | 0 | 113.1 | T194 L195 I196 L197 Q198 | T194-L328 HydrophobicContact CG2-CD1 3.33Å; T194-L328 HydrophobicContact CG2-CD2 4.4Å; T194-L328 HydrophobicContact CG2-CG 3.48Å; T194-L328 VanDerWaalsContact CG2-CG 3.48Å; L195-L328 PolarHBondContact O-N 3.32Å; I196-L328 CarbonylContact C-O 3.56Å; L197-L328 PolarHBondContact N-O 3.39Å; Q198-L328 VanDerWaalsContact CB-C 3.45Å; Q198-L328 VanDerWaalsContact CB-O 3.31Å; Q198-L328 WeakPolarHBondContact CB-O 3.28Å; Q198-L328 PolarHBondContact N-O 3.32Å |
Retrieved 328 of 328 residues in 345.1 ms
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