| 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 | 38.8 | Very low | 47.5 | Very low | 238 Ų | 238 | 152.3 Ų | 152.3 | 100% | 1.172 | 80% | 0.8 | S | S | * | * | 0 | 102 | 0 | -88 | 153.2 | 166.1 | 0 | 0 | 108.5 | M3 | M1-M3 PolarHBondContact O-N 2.95Š| |||
| 2 | K | 36.1 | Very low | 49.3 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -75.1 | 109.5 | 175.7 | -163.7 | 165.7 | -175 | 174.6 | 0 | 106 | P4 | K2-P4 WeakPolarHBondContact O-CD 3.49Š| ||
| 3 | M | 38.7 | Very low | 50.7 | Low | 176 Ų | 176 | 135.6 Ų | 135.6 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | -77.4 | 108.1 | 165.2 | -68.1 | -175.9 | -178.6 | 0 | 0 | 106.3 | M1 S5 | M1-M3 PolarHBondContact O-N 2.95Å; M3-S5 PolarHBondContact O-N 3.27Å | ||
| 4 | P | 44.2 | Very low | 52.1 | Low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -70 | 102.9 | 170.1 | 29.1 | -31 | 0 | 0 | 0 | 107.9 | K2 | K2-P4 WeakPolarHBondContact O-CD 3.49Š| ||
| 5 | S | 44.2 | Very low | 53.6 | Low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -56.6 | 143.5 | 157.3 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | M3 | M3-S5 PolarHBondContact O-N 3.27Š| ||
| 6 | N | 44 | Very low | 54.9 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 80.1 | 79.3 | 152.5 | -150.9 | -11.6 | 0 | 0 | 0 | 117.3 | ||
| 7 | K | 49.7 | Very low | 56 | Low | 184 Ų | 184 | 118 Ų | 118 | 80% | 0.8 | 63% | 0.631 | S | S | * | * | 174.3 | 109.2 | 126.6 | -92 | 171.7 | -166.9 | -171.4 | 0 | 105.4 | S9 | K7-S9 PolarHBondContact O-N 3.06Š| |||
| 8 | T | 51.6 | Low | 57.4 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 77% | 0.767 | 62% | 0.621 | S | S | * | * | trans | -66.1 | 60.2 | 179.8 | 40.3 | 0 | 0 | 0 | 0 | 111.7 | W10 | T8-W10 PolarHBondContact O-N 2.86Å; T8-W10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | S | 55.6 | Low | 58.8 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 70% | 0.699 | 60% | 0.604 | S | S | * | * | trans | -79.8 | 74.7 | 158.3 | 61.9 | 0 | 0 | 0 | 0 | 106.7 | K7 C11 | K7-S9 PolarHBondContact O-N 3.06Å; S9-C11 PolarHBondContact O-N 3.28Å; S9-C11 VanDerWaalsContact O-N 3.07Å | ||
| 10 | W | 53.2 | Low | 59.9 | Low | 191 Ų | 191 | 108.2 Ų | 108.2 | 72% | 0.723 | 58% | 0.58 | S | S | * | * | trans | -61.1 | 115.2 | 170.9 | -72.1 | 60.9 | 0 | 0 | 0 | 106.4 | T8 P12 | T8-W10 PolarHBondContact O-N 2.86Å; T8-W10 VanDerWaalsContact O-N 3.09Å; W10-P12 WeakPolarHBondContact O-CD 3.32Å; W10-P12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | C | 66 | Low | 61 | Low | 84 Ų | 84 | 106.8 Ų | 106.8 | 57% | 0.568 | 57% | 0.572 | S | S | * | * | trans | -58.1 | 119.2 | 172.6 | -70.4 | 0 | 0 | 0 | 0 | 106.9 | S9 G13 L14 C15 | S9-C11 PolarHBondContact O-N 3.28Å; S9-C11 VanDerWaalsContact O-N 3.07Å; C11-G13 PolarHBondContact O-N 3.19Å; C11-G13 VanDerWaalsContact O-N 3.11Å; C11-L14 HydrophobicContact CB-CB 4.3Å; C11-L14 WeakPolarHBondContact O-CB 3.39Å; C11-L14 PolarHBondContact O-N 3.04Å; C11-C15 PolarHBondContact O-N 3.22Å | ||
| 12 | P | 69.9 | Low | 63.2 | Low | 72 Ų | 72 | 100.5 Ų | 100.5 | 47% | 0.468 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.4 | -35 | -174.6 | 19.1 | -30.8 | 0 | 0 | 0 | 111.4 | W10 L14 C15 W16 | W10-P12 WeakPolarHBondContact O-CD 3.32Å; W10-P12 VanDerWaalsContact O-N 3.11Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.33Å; P12-C15 PolarHBondContact O-N 3.4Å; P12-W16 PolarHBondContact O-N 3.16Å; P12-W16 VanDerWaalsContact O-N 3.11Å |
| 13 | G | 67.7 | Low | 65.6 | Low | 16 Ų | 16 | 93.4 Ų | 93.4 | 17% | 0.165 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | C11 W16 S17 | C11-G13 PolarHBondContact O-N 3.19Å; C11-G13 VanDerWaalsContact O-N 3.11Å; G13-W16 PolarHBondContact O-N 3.23Å; G13-S17 PolarHBondContact O-N 3.06Å |
| 14 | L | 70 | Confident | 67.7 | Low | 100 Ų | 100 | 87.1 Ų | 87.1 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.1 | -35.7 | 176.9 | -174.3 | 68.8 | 0 | 0 | 0 | 111.3 | C11 P12 W16 S17 V18 | C11-L14 HydrophobicContact CB-CB 4.3Å; C11-L14 WeakPolarHBondContact O-CB 3.39Å; C11-L14 PolarHBondContact O-N 3.04Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.33Å; L14-W16 VanDerWaalsContact C-N 3.32Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 3.19Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.24Å |
| 15 | C | 75.2 | Confident | 69.7 | Low | 63 Ų | 63 | 87.4 Ų | 87.4 | 43% | 0.426 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.3 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | C11 P12 S17 V18 V19 | C11-C15 PolarHBondContact O-N 3.22Å; P12-C15 PolarHBondContact O-N 3.4Å; C15-S17 PolarHBondContact O-N 3.45Å; C15-V18 PolarHBondContact O-N 3.11Å; C15-V19 WeakPolarHBondContact O-CG2 3.37Å; C15-V19 PolarHBondContact O-N 3.18Å; C15-V19 VanDerWaalsContact O-N 3.12Å |
| 16 | W | 73.5 | Confident | 71.6 | Confident | 66 Ų | 66 | 88.4 Ų | 88.4 | 25% | 0.25 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 176 | -68.8 | 120.4 | 0 | 0 | 0 | 113.5 | P12 G13 L14 V18 V19 W20 P78 L79 | P12-W16 PolarHBondContact O-N 3.16Å; P12-W16 VanDerWaalsContact O-N 3.11Å; G13-W16 PolarHBondContact O-N 3.23Å; L14-W16 VanDerWaalsContact C-N 3.32Å; W16-V18 VanDerWaalsContact C-N 3.31Å; W16-V18 PolarHBondContact O-N 3.06Å; W16-V19 PolarHBondContact O-N 2.9Å; W16-W20 VanDerWaalsContact O-CD1 3.23Å; W16-W20 PolarHBondContact O-N 2.93Å; W16-P78 HydrophobicContact CD2-CB 4.35Å; W16-P78 HydrophobicContact CG-CB 4.3Å; W16-L79 HydrophobicContact CE3-CB 3.83Å; W16-L79 HydrophobicContact CE3-CD1 3.75Å; W16-L79 HydrophobicContact CE3-CG 3.86Å; W16-L79 HydrophobicContact CH2-CB 4.15Å; W16-L79 HydrophobicContact CZ3-CB 3.47Å; W16-L79 VanDerWaalsContact CZ3-CB 3.47Å; W16-L79 HydrophobicContact CZ3-CD1 3.52Å; W16-L79 HydrophobicContact CZ3-CG 3.83Å |
| 17 | S | 73.9 | Confident | 73.6 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 10% | 0.098 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 177.6 | 69.3 | 0 | 0 | 0 | 0 | 112.6 | G13 L14 C15 W20 L21 | G13-S17 PolarHBondContact O-N 3.06Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 3.19Å; C15-S17 PolarHBondContact O-N 3.45Å; S17-W20 PolarHBondContact O-N 3.41Å; S17-L21 PolarHBondContact O-N 3.41Å |
| 18 | V | 81 | Confident | 75.2 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 172.8 | 175.2 | 0 | 0 | 0 | 0 | 111 | L14 C15 W16 L21 L22 | L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.24Å; C15-V18 PolarHBondContact O-N 3.11Å; W16-V18 VanDerWaalsContact C-N 3.31Å; W16-V18 PolarHBondContact O-N 3.06Å; V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 PolarHBondContact O-N 3.23Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.43Å |
| 19 | V | 83.7 | Confident | 77 | Confident | 48 Ų | 48 | 77.7 Ų | 77.7 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.9 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | C15 W16 L21 L22 I23 L79 | C15-V19 WeakPolarHBondContact O-CG2 3.37Å; C15-V19 PolarHBondContact O-N 3.18Å; C15-V19 VanDerWaalsContact O-N 3.12Å; W16-V19 PolarHBondContact O-N 2.9Å; V19-L21 VanDerWaalsContact C-N 3.33Å; V19-L21 PolarHBondContact O-N 3.25Å; V19-L22 WeakPolarHBondContact O-CB 3.17Å; V19-L22 PolarHBondContact O-N 3.01Å; V19-I23 HydrophobicContact CG1-CD1 4.13Å; V19-I23 WeakPolarHBondContact O-CG1 3.36Å; V19-I23 PolarHBondContact O-N 3.11Å; V19-L79 HydrophobicContact CB-CD1 4.2Å; V19-L79 HydrophobicContact CG1-CD1 3.38Å |
| 20 | W | 80.2 | Confident | 78.4 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 174.5 | -80.2 | 115.3 | 0 | 0 | 0 | 113.1 | W16 S17 L22 I23 W24 P69 N72 A73 R77 L79 | W16-W20 VanDerWaalsContact O-CD1 3.23Å; W16-W20 PolarHBondContact O-N 2.93Å; S17-W20 PolarHBondContact O-N 3.41Å; W20-L22 VanDerWaalsContact C-N 3.34Å; W20-L22 PolarHBondContact O-N 3.38Å; W20-I23 HydrophobicContact CE3-CB 4.42Å; W20-I23 HydrophobicContact CE3-CD1 4.11Å; W20-I23 HydrophobicContact CE3-CG2 4.35Å; W20-I23 HydrophobicContact CZ3-CD1 4.37Å; W20-I23 HydrophobicContact CZ3-CG2 4.43Å; W20-I23 PolarHBondContact O-N 3.19Å; W20-W24 WeakPolarHBondContact O-CB 3.35Å; W20-W24 PolarHBondContact O-N 2.83Å; W20-P69 HydrophobicContact CE3-CB 4.17Å; W20-N72 HydrophobicContact CD2-CB 3.53Å; W20-N72 VanDerWaalsContact CE2-CB 3.46Å; W20-N72 HydrophobicContact CE3-CB 3.82Å; W20-N72 HydrophobicContact CG-CB 4.03Å; W20-N72 HydrophobicContact CH2-CB 3.96Å; W20-N72 WeakPolarHBondContact CH2-ND2 3.48Å; W20-N72 HydrophobicContact CZ2-CB 3.67Å; W20-N72 HydrophobicContact CZ3-CB 4.03Å; W20-A73 HydrophobicContact CB-CB 3.67Å; W20-R77 VanDerWaalsContact CD1-O 3.32Å; W20-R77 PolarHBondContact NE1-O 2.88Å; W20-L79 HydrophobicContact CD2-CD2 4.13Å; W20-L79 HydrophobicContact CE3-CD2 4.39Å; W20-L79 HydrophobicContact CH2-CD2 3.62Å; W20-L79 HydrophobicContact CZ2-CD2 3.29Å; W20-L79 HydrophobicContact CZ2-CG 4.06Å; W20-L79 HydrophobicContact CZ3-CD2 4.16Å |
| 21 | L | 82.9 | Confident | 79.9 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 41% | 0.408 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 172.1 | -93.4 | 166.6 | 0 | 0 | 0 | 112.2 | S17 V18 V19 W24 F25 | S17-L21 PolarHBondContact O-N 3.41Å; V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 PolarHBondContact O-N 3.23Å; V19-L21 VanDerWaalsContact C-N 3.33Å; V19-L21 PolarHBondContact O-N 3.25Å; L21-W24 HydrophobicContact CD2-CE3 4.29Å; L21-W24 WeakPolarHBondContact O-CB 3.43Å; L21-W24 PolarHBondContact O-N 3.25Å; L21-F25 WeakPolarHBondContact O-CD2 3.43Å; L21-F25 PolarHBondContact O-N 2.95Å |
| 22 | L | 86 | Confident | 80.9 | Confident | 106 Ų | 106 | 71.9 Ų | 71.9 | 56% | 0.555 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 175 | -68.6 | 175.9 | 0 | 0 | 0 | 111.9 | V18 V19 W20 W24 F25 L26 | V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.43Å; V19-L22 WeakPolarHBondContact O-CB 3.17Å; V19-L22 PolarHBondContact O-N 3.01Å; W20-L22 VanDerWaalsContact C-N 3.34Å; W20-L22 PolarHBondContact O-N 3.38Å; L22-W24 VanDerWaalsContact C-N 3.31Å; L22-W24 PolarHBondContact O-N 3.35Å; L22-F25 PolarHBondContact O-N 3.49Å; L22-L26 PolarHBondContact O-N 3.28Å |
| 23 | I | 85.8 | Confident | 81.9 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 29% | 0.292 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 173.9 | -69.3 | 168.4 | 0 | 0 | 0 | 110.3 | V19 W20 F25 L26 A27 P69 L79 | V19-I23 HydrophobicContact CG1-CD1 4.13Å; V19-I23 WeakPolarHBondContact O-CG1 3.36Å; V19-I23 PolarHBondContact O-N 3.11Å; W20-I23 HydrophobicContact CE3-CB 4.42Å; W20-I23 HydrophobicContact CE3-CD1 4.11Å; W20-I23 HydrophobicContact CE3-CG2 4.35Å; W20-I23 HydrophobicContact CZ3-CD1 4.37Å; W20-I23 HydrophobicContact CZ3-CG2 4.43Å; W20-I23 PolarHBondContact O-N 3.19Å; I23-F25 VanDerWaalsContact C-N 3.35Å; I23-F25 PolarHBondContact O-N 3.48Å; I23-L26 CarbonylContact O-C 3.54Å; I23-L26 WeakPolarHBondContact O-CB 3.35Å; I23-L26 PolarHBondContact O-N 2.98Å; I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 2.87Å; I23-P69 HydrophobicContact CG2-CB 4.3Å; I23-P69 HydrophobicContact CG2-CG 4.3Å; I23-L79 HydrophobicContact CD1-CD1 4.09Å; I23-L79 HydrophobicContact CD1-CD2 3.84Å |
| 24 | W | 84.1 | Confident | 82.8 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 16% | 0.163 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.1 | -179.5 | 75.9 | 0 | 0 | 0 | 112.3 | W20 L21 L22 L26 A27 W28 A66 P69 I70 | W20-W24 WeakPolarHBondContact O-CB 3.35Å; W20-W24 PolarHBondContact O-N 2.83Å; L21-W24 HydrophobicContact CD2-CE3 4.29Å; L21-W24 WeakPolarHBondContact O-CB 3.43Å; L21-W24 PolarHBondContact O-N 3.25Å; L22-W24 VanDerWaalsContact C-N 3.31Å; L22-W24 PolarHBondContact O-N 3.35Å; W24-L26 PolarHBondContact O-N 3.2Å; W24-A27 PolarHBondContact O-N 3.4Å; W24-W28 HydrophobicContact CD2-CE3 4.32Å; W24-W28 AromaticContact CE2-CE3 3.65Å; W24-W28 HydrophobicContact CE3-CE3 4.44Å; W24-W28 AromaticContact CH2-CE3 3.43Å; W24-W28 HydrophobicContact CH2-CE3 3.43Å; W24-W28 VanDerWaalsContact CH2-CE3 3.43Å; W24-W28 AromaticContact CH2-CZ3 3.24Å; W24-W28 HydrophobicContact CH2-CZ3 3.24Å; W24-W28 AromaticContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CH2 4.42Å; W24-W28 AromaticContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ3-CE3 4.02Å; W24-W28 HydrophobicContact CZ3-CZ3 4.21Å; W24-W28 WeakPolarHBondContact O-CB 3.3Å; W24-W28 PolarHBondContact O-N 3.23Å; W24-A66 PolarHBondContact NE1-O 2.97Å; W24-P69 HydrophobicContact CB-CB 3.67Å; W24-P69 HydrophobicContact CG-CB 4.26Å; W24-I70 HydrophobicContact CZ2-CD1 4.15Å |
| 25 | F | 85.3 | Confident | 83.6 | Confident | 133 Ų | 133 | 70.5 Ų | 70.5 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.8 | -29.3 | 173.2 | -84.9 | -65.6 | 0 | 0 | 0 | 113.2 | L21 L22 I23 P29 | L21-F25 WeakPolarHBondContact O-CD2 3.43Å; L21-F25 PolarHBondContact O-N 2.95Å; L22-F25 PolarHBondContact O-N 3.49Å; I23-F25 VanDerWaalsContact C-N 3.35Å; I23-F25 PolarHBondContact O-N 3.48Å; F25-P29 WeakPolarHBondContact O-CD 3.37Å |
| 26 | L | 85.2 | Confident | 84.3 | Confident | 128 Ų | 128 | 71 Ų | 71 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -85.1 | -34.2 | 174.8 | -67.8 | 170.3 | 0 | 0 | 0 | 112.9 | L22 I23 W24 P29 | L22-L26 PolarHBondContact O-N 3.28Å; I23-L26 CarbonylContact O-C 3.54Å; I23-L26 WeakPolarHBondContact O-CB 3.35Å; I23-L26 PolarHBondContact O-N 2.98Å; W24-L26 PolarHBondContact O-N 3.2Å; L26-P29 VanDerWaalsContact O-CD 3.28Å; L26-P29 WeakPolarHBondContact O-CD 3.45Å; L26-P29 VanDerWaalsContact O-CG 3.22Å; L26-P29 WeakPolarHBondContact O-CG 3.38Å |
| 27 | A | 84 | Confident | 85 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76 | -30.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I23 W24 M30 A31 F65 P69 | I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 2.87Å; W24-A27 PolarHBondContact O-N 3.4Å; A27-M30 WeakPolarHBondContact O-CB 3.41Å; A27-M30 PolarHBondContact O-N 3.25Å; A27-A31 PolarHBondContact O-N 3.34Å; A27-F65 HydrophobicContact CB-CB 4.43Å; A27-F65 HydrophobicContact CB-CD1 4.49Å; A27-F65 VanDerWaalsContact CB-O 3.25Å; A27-F65 WeakPolarHBondContact CB-O 3.45Å; A27-P69 HydrophobicContact CB-CG 4.07Å |
| 28 | W | 84.2 | Confident | 85.6 | Confident | 147 Ų | 147 | 71.8 Ų | 71.8 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55.1 | -56.3 | 175.5 | -172.4 | -46.4 | 0 | 0 | 0 | 112.7 | W24 M30 A31 F32 | W24-W28 HydrophobicContact CD2-CE3 4.32Å; W24-W28 AromaticContact CE2-CE3 3.65Å; W24-W28 HydrophobicContact CE3-CE3 4.44Å; W24-W28 AromaticContact CH2-CE3 3.43Å; W24-W28 HydrophobicContact CH2-CE3 3.43Å; W24-W28 VanDerWaalsContact CH2-CE3 3.43Å; W24-W28 AromaticContact CH2-CZ3 3.24Å; W24-W28 HydrophobicContact CH2-CZ3 3.24Å; W24-W28 AromaticContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CH2 4.42Å; W24-W28 AromaticContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ3-CE3 4.02Å; W24-W28 HydrophobicContact CZ3-CZ3 4.21Å; W24-W28 WeakPolarHBondContact O-CB 3.3Å; W24-W28 PolarHBondContact O-N 3.23Å; W28-M30 PolarHBondContact O-N 3.46Å; W28-A31 WeakPolarHBondContact O-CB 3.37Å; W28-A31 PolarHBondContact O-N 2.95Å; W28-A31 VanDerWaalsContact O-N 3.07Å; W28-F32 PolarHBondContact O-N 3.02Å |
| 29 | P | 88.7 | Confident | 86 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.4 | -31.7 | -179.6 | 23.1 | -33.7 | 0 | 0 | 0 | 112.1 | F25 L26 F32 V33 | F25-P29 WeakPolarHBondContact O-CD 3.37Å; L26-P29 VanDerWaalsContact O-CD 3.28Å; L26-P29 WeakPolarHBondContact O-CD 3.45Å; L26-P29 VanDerWaalsContact O-CG 3.22Å; L26-P29 WeakPolarHBondContact O-CG 3.38Å; P29-F32 WeakPolarHBondContact O-CB 3.29Å; P29-F32 PolarHBondContact O-N 3.43Å; P29-V33 WeakPolarHBondContact O-CG2 3.42Å; P29-V33 PolarHBondContact O-N 3.34Å |
| 30 | M | 84.8 | Confident | 86.3 | Confident | 114 Ų | 114 | 77.5 Ų | 77.5 | 56% | 0.562 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | 172.5 | -69.5 | -63.5 | -65.2 | 0 | 0 | 111.8 | A27 W28 F32 V33 L34 | A27-M30 WeakPolarHBondContact O-CB 3.41Å; A27-M30 PolarHBondContact O-N 3.25Å; W28-M30 PolarHBondContact O-N 3.46Å; M30-F32 VanDerWaalsContact C-N 3.28Å; M30-F32 PolarHBondContact O-N 3.35Å; M30-V33 PolarHBondContact O-N 3.03Å; M30-L34 WeakPolarHBondContact O-CG 3.29Å; M30-L34 PolarHBondContact O-N 3.1Å |
| 31 | A | 85.5 | Confident | 86.7 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 10% | 0.099 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A27 W28 L34 A35 A66 | A27-A31 PolarHBondContact O-N 3.34Å; W28-A31 WeakPolarHBondContact O-CB 3.37Å; W28-A31 PolarHBondContact O-N 2.95Å; W28-A31 VanDerWaalsContact O-N 3.07Å; A31-L34 PolarHBondContact O-N 3.15Å; A31-A35 PolarHBondContact O-N 3.39Å; A31-A66 HydrophobicContact CB-CB 4.16Å |
| 32 | F | 87.9 | Confident | 86.9 | Confident | 127 Ų | 127 | 78.3 Ų | 78.3 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 175.3 | -178.3 | -108.2 | 0 | 0 | 0 | 112.5 | W28 P29 M30 A35 I36 | W28-F32 PolarHBondContact O-N 3.02Å; P29-F32 WeakPolarHBondContact O-CB 3.29Å; P29-F32 PolarHBondContact O-N 3.43Å; M30-F32 VanDerWaalsContact C-N 3.28Å; M30-F32 PolarHBondContact O-N 3.35Å; F32-A35 PolarHBondContact O-N 3.1Å; F32-I36 HydrophobicContact CD1-CD1 3.88Å; F32-I36 HydrophobicContact CE1-CD1 3.44Å; F32-I36 VanDerWaalsContact CE1-CD1 3.44Å; F32-I36 HydrophobicContact CE1-CG1 4.44Å; F32-I36 HydrophobicContact CE2-CD1 4.48Å; F32-I36 HydrophobicContact CZ-CD1 3.79Å; F32-I36 HydrophobicContact CZ-CG1 4.42Å; F32-I36 WeakPolarHBondContact O-CG1 3.38Å; F32-I36 PolarHBondContact O-N 3.46Å; F32-I36 VanDerWaalsContact O-N 3.1Å |
| 33 | V | 89.3 | Confident | 87 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 49% | 0.485 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | P29 M30 A35 I36 V37 | P29-V33 WeakPolarHBondContact O-CG2 3.42Å; P29-V33 PolarHBondContact O-N 3.34Å; M30-V33 PolarHBondContact O-N 3.03Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 3.08Å; V33-I36 PolarHBondContact O-N 3.46Å; V33-V37 WeakPolarHBondContact O-CG2 3.5Å; V33-V37 PolarHBondContact O-N 2.87Å |
| 34 | L | 87.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 80 Ų | 80 | 20% | 0.199 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.3 | -69 | 174.2 | 0 | 0 | 0 | 111.9 | M30 A31 I36 V37 E38 I58 I61 F65 | M30-L34 WeakPolarHBondContact O-CG 3.29Å; M30-L34 PolarHBondContact O-N 3.1Å; A31-L34 PolarHBondContact O-N 3.15Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.4Å; L34-V37 PolarHBondContact O-N 3.25Å; L34-E38 WeakPolarHBondContact O-CB 3.49Å; L34-E38 PolarHBondContact O-N 2.65Å; L34-I58 HydrophobicContact CB-CG2 4.27Å; L34-I58 HydrophobicContact CD2-CG2 4.31Å; L34-I61 HydrophobicContact CD1-CG2 3.91Å; L34-F65 HydrophobicContact CD1-CD2 4.18Å |
| 35 | A | 87.4 | Confident | 87.2 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A31 F32 V33 E38 V39 | A31-A35 PolarHBondContact O-N 3.39Å; F32-A35 PolarHBondContact O-N 3.1Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 3.08Å; A35-E38 PolarHBondContact O-N 2.96Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.41Å; A35-V39 PolarHBondContact O-N 2.9Å |
| 36 | I | 90.2 | Very high | 87.2 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 174.8 | -69 | 166.9 | 0 | 0 | 0 | 110.5 | F32 V33 L34 E38 V39 F40 | F32-I36 HydrophobicContact CD1-CD1 3.88Å; F32-I36 HydrophobicContact CE1-CD1 3.44Å; F32-I36 VanDerWaalsContact CE1-CD1 3.44Å; F32-I36 HydrophobicContact CE1-CG1 4.44Å; F32-I36 HydrophobicContact CE2-CD1 4.48Å; F32-I36 HydrophobicContact CZ-CD1 3.79Å; F32-I36 HydrophobicContact CZ-CG1 4.42Å; F32-I36 WeakPolarHBondContact O-CG1 3.38Å; F32-I36 PolarHBondContact O-N 3.46Å; F32-I36 VanDerWaalsContact O-N 3.1Å; V33-I36 PolarHBondContact O-N 3.46Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.4Å; I36-E38 VanDerWaalsContact C-N 3.29Å; I36-E38 PolarHBondContact O-N 3.32Å; I36-V39 PolarHBondContact O-N 3.25Å; I36-F40 HydrophobicContact CG2-CD2 3.81Å; I36-F40 HydrophobicContact CG2-CE2 3.55Å; I36-F40 WeakPolarHBondContact O-CD2 3.06Å; I36-F40 PolarHBondContact O-N 3.23Å |
| 37 | V | 88.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | V33 L34 F40 I41 I58 | V33-V37 WeakPolarHBondContact O-CG2 3.5Å; V33-V37 PolarHBondContact O-N 2.87Å; L34-V37 PolarHBondContact O-N 3.25Å; V37-F40 PolarHBondContact O-N 2.91Å; V37-I41 HydrophobicContact CG1-CD1 3.63Å; V37-I41 HydrophobicContact CG1-CG1 4.41Å; V37-I41 VanDerWaalsContact O-CG1 3.31Å; V37-I41 WeakPolarHBondContact O-CG1 3.48Å; V37-I41 PolarHBondContact O-N 3.43Å; V37-I58 HydrophobicContact CG1-CD1 4.34Å |
| 38 | E | 86.3 | Confident | 87.5 | Confident | 37 Ų | 37 | 83.3 Ų | 83.3 | 17% | 0.173 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 176 | -169.7 | 177.8 | 169.5 | 0 | 0 | 111.5 | L34 A35 I36 F40 I41 I42 I58 | L34-E38 WeakPolarHBondContact O-CB 3.49Å; L34-E38 PolarHBondContact O-N 2.65Å; A35-E38 PolarHBondContact O-N 2.96Å; I36-E38 VanDerWaalsContact C-N 3.29Å; I36-E38 PolarHBondContact O-N 3.32Å; E38-F40 PolarHBondContact O-N 2.85Å; E38-I41 WeakPolarHBondContact O-CA 3.38Å; E38-I41 PolarHBondContact O-N 3.2Å; E38-I42 WeakPolarHBondContact O-CG1 3.36Å; E38-I42 PolarHBondContact O-N 3.07Å; E38-I58 HydrophobicContact CB-CG2 4.48Å |
| 39 | V | 89.7 | Confident | 87.6 | Confident | 94 Ų | 94 | 84.3 Ų | 84.3 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -55.5 | -38.4 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | A35 I36 P43 | A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.41Å; A35-V39 PolarHBondContact O-N 2.9Å; I36-V39 PolarHBondContact O-N 3.25Å; V39-P43 WeakPolarHBondContact O-CD 3.26Å |
| 40 | F | 88.8 | Confident | 87.4 | Confident | 148 Ų | 148 | 89.6 Ų | 89.6 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.4 | -27.3 | 175.8 | -76.5 | -67.2 | 0 | 0 | 0 | 113.8 | I36 V37 E38 P43 F44 | I36-F40 HydrophobicContact CG2-CD2 3.81Å; I36-F40 HydrophobicContact CG2-CE2 3.55Å; I36-F40 WeakPolarHBondContact O-CD2 3.06Å; I36-F40 PolarHBondContact O-N 3.23Å; V37-F40 PolarHBondContact O-N 2.91Å; E38-F40 PolarHBondContact O-N 2.85Å; F40-P43 WeakPolarHBondContact O-CD 2.99Å; F40-P43 WeakPolarHBondContact O-CG 3.28Å; F40-F44 VanDerWaalsContact O-CD2 3.32Å; F40-F44 WeakPolarHBondContact O-CD2 3.02Å; F40-F44 WeakPolarHBondContact O-CE2 3.46Å |
| 41 | I | 88.2 | Confident | 87.3 | Confident | 39 Ų | 39 | 85 Ų | 85 | 20% | 0.2 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -82.2 | -29.4 | 179.4 | -68.7 | 171.1 | 0 | 0 | 0 | 111.8 | V37 E38 P43 F44 C45 A51 C55 I58 | V37-I41 HydrophobicContact CG1-CD1 3.63Å; V37-I41 HydrophobicContact CG1-CG1 4.41Å; V37-I41 VanDerWaalsContact O-CG1 3.31Å; V37-I41 WeakPolarHBondContact O-CG1 3.48Å; V37-I41 PolarHBondContact O-N 3.43Å; E38-I41 WeakPolarHBondContact O-CA 3.38Å; E38-I41 PolarHBondContact O-N 3.2Å; I41-P43 VanDerWaalsContact C-CD 3.5Å; I41-F44 WeakPolarHBondContact O-CA 3.22Å; I41-F44 WeakPolarHBondContact O-CB 3.28Å; I41-F44 PolarHBondContact O-N 3.17Å; I41-C45 PolarHBondContact O-N 3.37Å; I41-C45 VanDerWaalsContact O-N 3.11Å; I41-C45 PolarHBondContact O-SG 3.37Å; I41-A51 HydrophobicContact CG2-CB 4.4Å; I41-C55 HydrophobicContact CG2-CB 4.38Å; I41-I58 HydrophobicContact CD1-CD1 3.78Å |
| 42 | I | 88 | Confident | 87.2 | Confident | 91 Ų | 91 | 90 Ų | 90 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -43.8 | -50.4 | 178.1 | -71.9 | 170.2 | 0 | 0 | 0 | 114.2 | E38 F44 C45 | E38-I42 WeakPolarHBondContact O-CG1 3.36Å; E38-I42 PolarHBondContact O-N 3.07Å; I42-F44 PolarHBondContact O-N 3.05Å; I42-C45 WeakPolarHBondContact O-CB 3.38Å; I42-C45 PolarHBondContact O-N 2.92Å; I42-C45 VanDerWaalsContact O-N 3.16Å |
| 43 | P | 88.4 | Confident | 87.2 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 49% | 0.494 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -31.3 | 178.6 | 23 | -34.4 | 0 | 0 | 0 | 113.3 | V39 F40 I41 | V39-P43 WeakPolarHBondContact O-CD 3.26Å; F40-P43 WeakPolarHBondContact O-CD 2.99Å; F40-P43 WeakPolarHBondContact O-CG 3.28Å; I41-P43 VanDerWaalsContact C-CD 3.5Å |
| 44 | F | 87.2 | Confident | 87 | Confident | 122 Ų | 122 | 86.4 Ų | 86.4 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.4 | -23.6 | 178 | -62.5 | -78.7 | 0 | 0 | 0 | 113 | F40 I41 I42 V46 C47 F48 A51 | F40-F44 VanDerWaalsContact O-CD2 3.32Å; F40-F44 WeakPolarHBondContact O-CD2 3.02Å; F40-F44 WeakPolarHBondContact O-CE2 3.46Å; I41-F44 WeakPolarHBondContact O-CA 3.22Å; I41-F44 WeakPolarHBondContact O-CB 3.28Å; I41-F44 PolarHBondContact O-N 3.17Å; I42-F44 PolarHBondContact O-N 3.05Å; F44-V46 PolarHBondContact O-N 3.4Å; F44-C47 PolarHBondContact O-N 3.44Å; F44-F48 PolarHBondContact O-N 2.87Å; F44-A51 HydrophobicContact CB-CB 4.24Å |
| 45 | C | 86.3 | Confident | 86.8 | Confident | 31 Ų | 31 | 85.5 Ų | 85.5 | 21% | 0.209 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.5 | -28 | 176.4 | -67 | 0 | 0 | 0 | 0 | 113.1 | I41 I42 C47 | I41-C45 PolarHBondContact O-N 3.37Å; I41-C45 VanDerWaalsContact O-N 3.11Å; I41-C45 PolarHBondContact O-SG 3.37Å; I42-C45 WeakPolarHBondContact O-CB 3.38Å; I42-C45 PolarHBondContact O-N 2.92Å; I42-C45 VanDerWaalsContact O-N 3.16Å; C45-C47 VanDerWaalsContact C-N 3.34Å |
| 46 | V | 86.2 | Confident | 86.8 | Confident | 132 Ų | 132 | 88.7 Ų | 88.7 | 80% | 0.8 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -28.9 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | F44 | F44-V46 PolarHBondContact O-N 3.4Š|
| 47 | C | 87.6 | Confident | 86.6 | Confident | 93 Ų | 93 | 91.7 Ų | 91.7 | 63% | 0.628 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -30.5 | -177.3 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | F44 C45 | F44-C47 PolarHBondContact O-N 3.44Å; C45-C47 VanDerWaalsContact C-N 3.34Å |
| 48 | F | 87.3 | Confident | 86.5 | Confident | 128 Ų | 128 | 90.2 Ų | 90.2 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | trans | -134.2 | 120.6 | -172.2 | -60.2 | -78.4 | 0 | 0 | 0 | 112.1 | F44 K50 A51 K52 | F44-F48 PolarHBondContact O-N 2.87Å; F48-K50 PolarHBondContact O-N 3.36Å; F48-A51 HydrophobicContact CB-CB 4.1Å; F48-A51 WeakPolarHBondContact O-CB 3.23Å; F48-A51 PolarHBondContact O-N 3.23Å; F48-K52 PolarHBondContact O-N 3.21Å | ||
| 49 | E | 85.7 | Confident | 86.4 | Confident | 168 Ų | 168 | 90.4 Ų | 90.4 | 79% | 0.785 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58 | -33.8 | 173.7 | -71.9 | -177.6 | 165.5 | 0 | 0 | 112.5 | A51 K52 T53 | E49-A51 VanDerWaalsContact C-N 3.29Å; E49-A51 PolarHBondContact O-N 3.06Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 3.27Å; E49-T53 PolarHBondContact O-N 3.49Å; E49-T53 PolarHBondContact O-OG1 3.31Å |
| 50 | K | 84.4 | Confident | 86.2 | Confident | 177 Ų | 177 | 94.9 Ų | 94.9 | 77% | 0.77 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -33.5 | 177.2 | -59.7 | -59.4 | -178.9 | -174.9 | 0 | 112.6 | F48 A54 | F48-K50 PolarHBondContact O-N 3.36Å; K50-A54 PolarHBondContact O-N 2.76Å |
| 51 | A | 83.4 | Confident | 86 | Confident | 18 Ų | 18 | 90.4 Ų | 90.4 | 15% | 0.149 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | I41 F44 F48 E49 T53 A54 C55 | I41-A51 HydrophobicContact CG2-CB 4.4Å; F44-A51 HydrophobicContact CB-CB 4.24Å; F48-A51 HydrophobicContact CB-CB 4.1Å; F48-A51 WeakPolarHBondContact O-CB 3.23Å; F48-A51 PolarHBondContact O-N 3.23Å; E49-A51 VanDerWaalsContact C-N 3.29Å; E49-A51 PolarHBondContact O-N 3.06Å; A51-T53 PolarHBondContact O-N 2.81Å; A51-A54 PolarHBondContact O-N 3.42Å; A51-C55 WeakPolarHBondContact O-CB 3.15Å; A51-C55 PolarHBondContact O-N 3.49Å |
| 52 | K | 84.1 | Confident | 85.6 | Confident | 117 Ų | 117 | 91.4 Ų | 91.4 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 174 | -173.5 | -176.4 | 176.2 | -173.3 | 0 | 111.9 | F48 E49 A54 C55 E56 | F48-K52 PolarHBondContact O-N 3.21Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 3.27Å; K52-A54 VanDerWaalsContact C-N 3.32Å; K52-A54 PolarHBondContact O-N 2.95Å; K52-C55 WeakPolarHBondContact O-CB 3.46Å; K52-C55 PolarHBondContact O-N 3.17Å; K52-E56 VanDerWaalsContact CE-OE1 3.29Å; K52-E56 WeakPolarHBondContact CE-OE1 3.29Å; K52-E56 PolarHBondContact O-N 2.96Å |
| 53 | T | 86.8 | Confident | 85.3 | Confident | 89 Ų | 89 | 91 Ų | 91 | 55% | 0.546 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.9 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | E49 A51 E56 F57 | E49-T53 PolarHBondContact O-N 3.49Å; E49-T53 PolarHBondContact O-OG1 3.31Å; A51-T53 PolarHBondContact O-N 2.81Å; T53-E56 PolarHBondContact O-N 3.29Å; T53-F57 PolarHBondContact O-N 3.46Å; T53-F57 VanDerWaalsContact O-N 3.11Å |
| 54 | A | 84.7 | Confident | 84.8 | Confident | 43 Ų | 43 | 89.5 Ų | 89.5 | 36% | 0.355 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K50 A51 K52 F57 I58 | K50-A54 PolarHBondContact O-N 2.76Å; A51-A54 PolarHBondContact O-N 3.42Å; K52-A54 VanDerWaalsContact C-N 3.32Å; K52-A54 PolarHBondContact O-N 2.95Å; A54-F57 PolarHBondContact O-N 3.28Å; A54-I58 VanDerWaalsContact O-CG1 3.29Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 2.92Å |
| 55 | C | 84.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 88 Ų | 88 | 12% | 0.122 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 176.2 | -161.3 | 0 | 0 | 0 | 0 | 111.5 | I41 A51 K52 F57 I58 D59 | I41-C55 HydrophobicContact CG2-CB 4.38Å; A51-C55 WeakPolarHBondContact O-CB 3.15Å; A51-C55 PolarHBondContact O-N 3.49Å; K52-C55 WeakPolarHBondContact O-CB 3.46Å; K52-C55 PolarHBondContact O-N 3.17Å; C55-F57 VanDerWaalsContact C-N 3.28Å; C55-F57 PolarHBondContact O-N 3.45Å; C55-I58 PolarHBondContact O-N 3.4Å; C55-D59 WeakPolarHBondContact O-CB 3.42Å; C55-D59 PolarHBondContact O-N 3.09Å |
| 56 | E | 86.2 | Confident | 83.9 | Confident | 109 Ų | 109 | 87.7 Ų | 87.7 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -36 | 176.7 | -72.2 | 174.6 | -178.5 | 0 | 0 | 112.3 | K52 T53 R60 | K52-E56 VanDerWaalsContact CE-OE1 3.29Å; K52-E56 WeakPolarHBondContact CE-OE1 3.29Å; K52-E56 PolarHBondContact O-N 2.96Å; T53-E56 PolarHBondContact O-N 3.29Å; E56-R60 PolarHBondContact O-N 3.26Å; E56-R60 VanDerWaalsContact O-N 3.1Å |
| 57 | F | 86.6 | Confident | 83.5 | Confident | 135 Ų | 135 | 86.7 Ų | 86.7 | 59% | 0.592 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70.3 | -42.2 | 176.6 | -171.6 | -106.8 | 0 | 0 | 0 | 112.2 | T53 A54 C55 R60 I61 | T53-F57 PolarHBondContact O-N 3.46Å; T53-F57 VanDerWaalsContact O-N 3.11Å; A54-F57 PolarHBondContact O-N 3.28Å; C55-F57 VanDerWaalsContact C-N 3.28Å; C55-F57 PolarHBondContact O-N 3.45Å; F57-R60 PolarHBondContact O-N 2.96Å; F57-I61 HydrophobicContact CD1-CD1 3.62Å; F57-I61 HydrophobicContact CE1-CD1 3.21Å; F57-I61 HydrophobicContact CE1-CG1 4.36Å; F57-I61 HydrophobicContact CE2-CD1 4.39Å; F57-I61 HydrophobicContact CG-CD1 4.38Å; F57-I61 HydrophobicContact CZ-CD1 3.65Å; F57-I61 WeakPolarHBondContact O-CG1 3.25Å; F57-I61 PolarHBondContact O-N 2.81Å; F57-I61 VanDerWaalsContact O-N 3.08Å |
| 58 | I | 86.2 | Confident | 83 | Confident | 29 Ų | 29 | 84.4 Ų | 84.4 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.7 | -67.5 | 165.5 | 0 | 0 | 0 | 110.5 | L34 V37 E38 I41 A54 C55 R60 I61 Y62 | L34-I58 HydrophobicContact CB-CG2 4.27Å; L34-I58 HydrophobicContact CD2-CG2 4.31Å; V37-I58 HydrophobicContact CG1-CD1 4.34Å; E38-I58 HydrophobicContact CB-CG2 4.48Å; I41-I58 HydrophobicContact CD1-CD1 3.78Å; A54-I58 VanDerWaalsContact O-CG1 3.29Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 2.92Å; C55-I58 PolarHBondContact O-N 3.4Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.11Å; I58-I61 PolarHBondContact O-N 2.94Å; I58-I61 VanDerWaalsContact O-N 3.15Å; I58-Y62 PolarHBondContact O-N 3.2Å |
| 59 | D | 84.5 | Confident | 82.4 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 22% | 0.219 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 175.8 | 171.1 | 80 | 0 | 0 | 0 | 111.2 | C55 I61 Y62 K63 | C55-D59 WeakPolarHBondContact O-CB 3.42Å; C55-D59 PolarHBondContact O-N 3.09Å; D59-I61 PolarHBondContact O-N 3.45Å; D59-Y62 HydrophobicContact CB-CD1 4.3Å; D59-Y62 HydrophobicContact CB-CE1 3.98Å; D59-Y62 WeakPolarHBondContact O-CD1 3.46Å; D59-Y62 VanDerWaalsContact O-CE1 3.28Å; D59-Y62 WeakPolarHBondContact O-CE1 3.16Å; D59-Y62 PolarHBondContact O-N 3.38Å; D59-Y62 WeakPolarHBondContact OD1-CE1 3.41Å; D59-Y62 PolarHBondContact OD1-OH 3.49Å; D59-K63 WeakPolarHBondContact O-CG 3.34Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact OD1-CE 3.26Å; D59-K63 WeakPolarHBondContact OD1-CE 3.48Å; D59-K63 IonicContact OD1-NZ 2.96Å; D59-K63 PolarHBondContact OD1-NZ 2.97Å; D59-K63 WeakPolarHBondContact OD2-CE 3.33Å; D59-K63 IonicContact OD2-NZ 2.65Å; D59-K63 PolarHBondContact OD2-NZ 2.98Å |
| 60 | R | 84.5 | Confident | 81.9 | Confident | 188 Ų | 188 | 74.2 Ų | 74.2 | 71% | 0.709 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 177.9 | -167.8 | 174.1 | -176.4 | 179.2 | 0.5 | 112.5 | E56 F57 I58 V64 | E56-R60 PolarHBondContact O-N 3.26Å; E56-R60 VanDerWaalsContact O-N 3.1Å; F57-R60 PolarHBondContact O-N 2.96Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.11Å; R60-V64 WeakPolarHBondContact O-CG2 3.45Å; R60-V64 PolarHBondContact O-N 3.01Å |
| 61 | I | 84.7 | Confident | 81.4 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 28% | 0.277 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 180 | -72.3 | 173.7 | 0 | 0 | 0 | 111.3 | L34 F57 I58 D59 K63 V64 F65 | L34-I61 HydrophobicContact CD1-CG2 3.91Å; F57-I61 HydrophobicContact CD1-CD1 3.62Å; F57-I61 HydrophobicContact CE1-CD1 3.21Å; F57-I61 HydrophobicContact CE1-CG1 4.36Å; F57-I61 HydrophobicContact CE2-CD1 4.39Å; F57-I61 HydrophobicContact CG-CD1 4.38Å; F57-I61 HydrophobicContact CZ-CD1 3.65Å; F57-I61 WeakPolarHBondContact O-CG1 3.25Å; F57-I61 PolarHBondContact O-N 2.81Å; F57-I61 VanDerWaalsContact O-N 3.08Å; I58-I61 PolarHBondContact O-N 2.94Å; I58-I61 VanDerWaalsContact O-N 3.15Å; D59-I61 PolarHBondContact O-N 3.45Å; I61-K63 VanDerWaalsContact C-N 3.26Å; I61-K63 PolarHBondContact O-N 3.42Å; I61-V64 PolarHBondContact O-N 2.97Å; I61-F65 HydrophobicContact CG2-CD2 3.56Å; I61-F65 HydrophobicContact CG2-CE2 3.36Å; I61-F65 VanDerWaalsContact O-CD2 3.23Å; I61-F65 WeakPolarHBondContact O-CD2 3.34Å; I61-F65 PolarHBondContact O-N 3.49Å |
| 62 | Y | 81.1 | Confident | 80.8 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 179.8 | 91.7 | -115.2 | 0 | 0 | 0 | 110.8 | I58 D59 V64 F65 A66 | I58-Y62 PolarHBondContact O-N 3.2Å; D59-Y62 HydrophobicContact CB-CD1 4.3Å; D59-Y62 HydrophobicContact CB-CE1 3.98Å; D59-Y62 WeakPolarHBondContact O-CD1 3.46Å; D59-Y62 VanDerWaalsContact O-CE1 3.28Å; D59-Y62 WeakPolarHBondContact O-CE1 3.16Å; D59-Y62 PolarHBondContact O-N 3.38Å; D59-Y62 WeakPolarHBondContact OD1-CE1 3.41Å; D59-Y62 PolarHBondContact OD1-OH 3.49Å; Y62-V64 VanDerWaalsContact C-N 3.32Å; Y62-V64 PolarHBondContact O-N 3.14Å; Y62-F65 PolarHBondContact O-N 3.22Å; Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.37Å |
| 63 | K | 80.2 | Confident | 80.2 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | -178.8 | -74.8 | 171.8 | -177.1 | 159.5 | 0 | 111.2 | D59 I61 A66 F67 | D59-K63 WeakPolarHBondContact O-CG 3.34Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact OD1-CE 3.26Å; D59-K63 WeakPolarHBondContact OD1-CE 3.48Å; D59-K63 IonicContact OD1-NZ 2.96Å; D59-K63 PolarHBondContact OD1-NZ 2.97Å; D59-K63 WeakPolarHBondContact OD2-CE 3.33Å; D59-K63 IonicContact OD2-NZ 2.65Å; D59-K63 PolarHBondContact OD2-NZ 2.98Å; I61-K63 VanDerWaalsContact C-N 3.26Å; I61-K63 PolarHBondContact O-N 3.42Å; K63-A66 PolarHBondContact O-N 3.07Å; K63-F67 HydrophobicContact CB-CD2 4.46Å; K63-F67 WeakPolarHBondContact O-CB 3.36Å; K63-F67 WeakPolarHBondContact O-CD2 3.48Å; K63-F67 PolarHBondContact O-N 3.23Å |
| 64 | V | 79.2 | Confident | 79.4 | Confident | 44 Ų | 44 | 70 Ų | 70 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.3 | -51.5 | 174.2 | 166.4 | 0 | 0 | 0 | 0 | 110.2 | R60 I61 Y62 A66 D68 P69 V98 | R60-V64 WeakPolarHBondContact O-CG2 3.45Å; R60-V64 PolarHBondContact O-N 3.01Å; I61-V64 PolarHBondContact O-N 2.97Å; Y62-V64 VanDerWaalsContact C-N 3.32Å; Y62-V64 PolarHBondContact O-N 3.14Å; V64-A66 PolarHBondContact O-N 3.12Å; V64-D68 VanDerWaalsContact CG1-OD2 3.29Å; V64-D68 WeakPolarHBondContact CG1-OD2 3.06Å; V64-D68 WeakPolarHBondContact O-CB 3.32Å; V64-D68 VanDerWaalsContact O-CG 3.25Å; V64-D68 PolarHBondContact O-N 3.32Å; V64-P69 WeakPolarHBondContact O-CD 3.21Å; V64-V98 HydrophobicContact CG2-CG1 4.34Å |
| 65 | F | 78.1 | Confident | 78.6 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.8 | -31.6 | -177.9 | -74 | -60.4 | 0 | 0 | 0 | 114.4 | A27 L34 I61 Y62 P69 | A27-F65 HydrophobicContact CB-CB 4.43Å; A27-F65 HydrophobicContact CB-CD1 4.49Å; A27-F65 VanDerWaalsContact CB-O 3.25Å; A27-F65 WeakPolarHBondContact CB-O 3.45Å; L34-F65 HydrophobicContact CD1-CD2 4.18Å; I61-F65 HydrophobicContact CG2-CD2 3.56Å; I61-F65 HydrophobicContact CG2-CE2 3.36Å; I61-F65 VanDerWaalsContact O-CD2 3.23Å; I61-F65 WeakPolarHBondContact O-CD2 3.34Å; I61-F65 PolarHBondContact O-N 3.49Å; Y62-F65 PolarHBondContact O-N 3.22Å; F65-P69 WeakPolarHBondContact O-CD 3.23Å; F65-P69 WeakPolarHBondContact O-CG 3.45Å |
| 66 | A | 76.6 | Confident | 77.5 | Confident | 25 Ų | 25 | 74.8 Ų | 74.8 | 21% | 0.207 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -81.3 | -42 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W24 A31 Y62 K63 V64 | W24-A66 PolarHBondContact NE1-O 2.97Å; A31-A66 HydrophobicContact CB-CB 4.16Å; Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.37Å; K63-A66 PolarHBondContact O-N 3.07Å; V64-A66 PolarHBondContact O-N 3.12Å |
| 67 | F | 76.3 | Confident | 76.4 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -100.8 | -39.2 | -170.2 | -67.3 | -74.1 | 0 | 0 | 0 | 113.5 | K63 I70 D71 | K63-F67 HydrophobicContact CB-CD2 4.46Å; K63-F67 WeakPolarHBondContact O-CB 3.36Å; K63-F67 WeakPolarHBondContact O-CD2 3.48Å; K63-F67 PolarHBondContact O-N 3.23Å; F67-I70 WeakPolarHBondContact O-CG2 3.42Å; F67-I70 PolarHBondContact O-N 3.41Å; F67-I70 VanDerWaalsContact O-N 3.09Å; F67-D71 PolarHBondContact O-N 3.45Å |
| 68 | D | 76.8 | Confident | 75.3 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | -174.3 | -62.2 | 0.3 | 0 | 0 | 0 | 112.9 | V64 I70 D71 N72 | V64-D68 VanDerWaalsContact CG1-OD2 3.29Å; V64-D68 WeakPolarHBondContact CG1-OD2 3.06Å; V64-D68 WeakPolarHBondContact O-CB 3.32Å; V64-D68 VanDerWaalsContact O-CG 3.25Å; V64-D68 PolarHBondContact O-N 3.32Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 3.49Å; D68-D71 PolarHBondContact O-N 2.92Å; D68-N72 WeakPolarHBondContact O-CB 3.13Å; D68-N72 PolarHBondContact O-N 3.47Å; D68-N72 PolarHBondContact O-ND2 3.38Å |
| 69 | P | 74.6 | Confident | 74.1 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 178.2 | -24 | 35.7 | 0 | 0 | 0 | 113.5 | W20 I23 W24 A27 V64 F65 A73 | W20-P69 HydrophobicContact CE3-CB 4.17Å; I23-P69 HydrophobicContact CG2-CB 4.3Å; I23-P69 HydrophobicContact CG2-CG 4.3Å; W24-P69 HydrophobicContact CB-CB 3.67Å; W24-P69 HydrophobicContact CG-CB 4.26Å; A27-P69 HydrophobicContact CB-CG 4.07Å; V64-P69 WeakPolarHBondContact O-CD 3.21Å; F65-P69 WeakPolarHBondContact O-CD 3.23Å; F65-P69 WeakPolarHBondContact O-CG 3.45Å; P69-A73 WeakPolarHBondContact O-CB 3.46Å; P69-A73 PolarHBondContact O-N 2.92Å |
| 70 | I | 75.8 | Confident | 72.8 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -77.1 | -37.5 | -179.7 | -168.1 | 164.8 | 0 | 0 | 0 | 111.5 | W24 F67 D68 A73 R74 | W24-I70 HydrophobicContact CZ2-CD1 4.15Å; F67-I70 WeakPolarHBondContact O-CG2 3.42Å; F67-I70 PolarHBondContact O-N 3.41Å; F67-I70 VanDerWaalsContact O-N 3.09Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 3.49Å; I70-A73 PolarHBondContact O-N 3.08Å; I70-R74 WeakPolarHBondContact O-CB 3.31Å; I70-R74 PolarHBondContact O-N 2.78Å |
| 71 | D | 73.4 | Confident | 71.3 | Confident | 66 Ų | 66 | 72 Ų | 72 | 35% | 0.353 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 173 | -77 | -49 | 0 | 0 | 0 | 110.4 | F67 D68 A73 R74 Y75 | F67-D71 PolarHBondContact O-N 3.45Å; D68-D71 PolarHBondContact O-N 2.92Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.42Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 3.32Å; D71-R74 VanDerWaalsContact O-N 3.14Å; D71-Y75 WeakPolarHBondContact O-CD2 3.4Å; D71-Y75 PolarHBondContact O-N 3.11Å |
| 72 | N | 71.4 | Confident | 69.7 | Low | 45 Ų | 45 | 73.8 Ų | 73.8 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -37 | 176 | -72.8 | -34.9 | 0 | 0 | 0 | 112.9 | W20 D68 M76 R77 | W20-N72 HydrophobicContact CD2-CB 3.53Å; W20-N72 VanDerWaalsContact CE2-CB 3.46Å; W20-N72 HydrophobicContact CE3-CB 3.82Å; W20-N72 HydrophobicContact CG-CB 4.03Å; W20-N72 HydrophobicContact CH2-CB 3.96Å; W20-N72 WeakPolarHBondContact CH2-ND2 3.48Å; W20-N72 HydrophobicContact CZ2-CB 3.67Å; W20-N72 HydrophobicContact CZ3-CB 4.03Å; D68-N72 WeakPolarHBondContact O-CB 3.13Å; D68-N72 PolarHBondContact O-N 3.47Å; D68-N72 PolarHBondContact O-ND2 3.38Å; N72-M76 PolarHBondContact O-N 3.4Å; N72-R77 HydrophobicContact CB-CB 4.49Å; N72-R77 PolarHBondContact O-N 3.23Å; N72-R77 VanDerWaalsContact O-N 3.07Å |
| 73 | A | 71.4 | Confident | 68.3 | Low | 15 Ų | 15 | 75.7 Ų | 75.7 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W20 P69 I70 D71 Y75 M76 | W20-A73 HydrophobicContact CB-CB 3.67Å; P69-A73 WeakPolarHBondContact O-CB 3.46Å; P69-A73 PolarHBondContact O-N 2.92Å; I70-A73 PolarHBondContact O-N 3.08Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.42Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.16Å; A73-M76 PolarHBondContact O-N 3.41Å; A73-M76 VanDerWaalsContact O-N 3.16Å |
| 74 | R | 70.8 | Confident | 67 | Low | 187 Ų | 187 | 74.7 Ų | 74.7 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | 179.8 | -178.3 | -179.8 | 177.6 | 176.9 | -2.2 | 112 | I70 D71 M76 | I70-R74 WeakPolarHBondContact O-CB 3.31Å; I70-R74 PolarHBondContact O-N 2.78Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 3.32Å; D71-R74 VanDerWaalsContact O-N 3.14Å; R74-M76 PolarHBondContact O-N 2.98Å |
| 75 | Y | 67.2 | Low | 65.7 | Low | 59 Ų | 59 | 74.6 Ų | 74.6 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 6.6 | 178.7 | -70 | -68.6 | 0 | 0 | 0 | 113.7 | D71 A73 R77 D91 | D71-Y75 WeakPolarHBondContact O-CD2 3.4Å; D71-Y75 PolarHBondContact O-N 3.11Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.16Å; Y75-R77 PolarHBondContact O-N 2.9Å; Y75-R77 VanDerWaalsContact O-N 3.08Å; Y75-D91 HydrophobicContact CE1-CB 4.47Å; Y75-D91 VanDerWaalsContact CE1-OD2 3.31Å; Y75-D91 WeakPolarHBondContact CE1-OD2 3.47Å; Y75-D91 PolarHBondContact OH-OD2 3.07Å |
| 76 | M | 62.5 | Low | 64.3 | Low | 102 Ų | 102 | 76 Ų | 76 | 50% | 0.502 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 36.9 | -179.3 | -56.3 | -179 | -173.3 | 0 | 0 | 112.3 | N72 A73 R74 | N72-M76 PolarHBondContact O-N 3.4Å; A73-M76 PolarHBondContact O-N 3.41Å; A73-M76 VanDerWaalsContact O-N 3.16Å; R74-M76 PolarHBondContact O-N 2.98Å |
| 77 | R | 62.5 | Low | 63.2 | Low | 53 Ų | 53 | 76.4 Ų | 76.4 | 20% | 0.2 | 40% | 0.397 | C | S | . | . | trans | -70 | 133.1 | -172.1 | -64.5 | -65.6 | -170.6 | 179.3 | -3.8 | 109.4 | W20 N72 Y75 | W20-R77 VanDerWaalsContact CD1-O 3.32Å; W20-R77 PolarHBondContact NE1-O 2.88Å; N72-R77 HydrophobicContact CB-CB 4.49Å; N72-R77 PolarHBondContact O-N 3.23Å; N72-R77 VanDerWaalsContact O-N 3.07Å; Y75-R77 PolarHBondContact O-N 2.9Å; Y75-R77 VanDerWaalsContact O-N 3.08Å | ||
| 78 | P | 63.1 | Low | 62 | Low | 18 Ų | 18 | 75.2 Ų | 75.2 | 12% | 0.117 | 40% | 0.4 | C | S | . | . | trans | -67.9 | 139.7 | 171.5 | 30.3 | -34 | 0 | 0 | 0 | 109.7 | W16 L80 I85 V87 | W16-P78 HydrophobicContact CD2-CB 4.35Å; W16-P78 HydrophobicContact CG-CB 4.3Å; P78-L80 VanDerWaalsContact C-N 3.25Å; P78-L80 WeakPolarHBondContact CB-O 3.46Å; P78-L80 PolarHBondContact O-N 2.85Å; P78-I85 HydrophobicContact CB-CD1 4.37Å; P78-V87 HydrophobicContact CG-CG2 4.4Å | ||
| 79 | L | 61 | Low | 60.9 | Low | 69 Ų | 69 | 78 Ų | 78 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -65.2 | -31.7 | 177.3 | -79.8 | 162.9 | 0 | 0 | 0 | 112.5 | W16 V19 W20 I23 | W16-L79 HydrophobicContact CE3-CB 3.83Å; W16-L79 HydrophobicContact CE3-CD1 3.75Å; W16-L79 HydrophobicContact CE3-CG 3.86Å; W16-L79 HydrophobicContact CH2-CB 4.15Å; W16-L79 HydrophobicContact CZ3-CB 3.47Å; W16-L79 VanDerWaalsContact CZ3-CB 3.47Å; W16-L79 HydrophobicContact CZ3-CD1 3.52Å; W16-L79 HydrophobicContact CZ3-CG 3.83Å; V19-L79 HydrophobicContact CB-CD1 4.2Å; V19-L79 HydrophobicContact CG1-CD1 3.38Å; W20-L79 HydrophobicContact CD2-CD2 4.13Å; W20-L79 HydrophobicContact CE3-CD2 4.39Å; W20-L79 HydrophobicContact CH2-CD2 3.62Å; W20-L79 HydrophobicContact CZ2-CD2 3.29Å; W20-L79 HydrophobicContact CZ2-CG 4.06Å; W20-L79 HydrophobicContact CZ3-CD2 4.16Å; I23-L79 HydrophobicContact CD1-CD1 4.09Å; I23-L79 HydrophobicContact CD1-CD2 3.84Å |
| 80 | L | 58.1 | Low | 59.9 | Low | 133 Ų | 133 | 82.2 Ų | 82.2 | 70% | 0.696 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -112.7 | 118.5 | 171.8 | -71.9 | 165.8 | 0 | 0 | 0 | 107.1 | P78 N82 | P78-L80 VanDerWaalsContact C-N 3.25Å; P78-L80 WeakPolarHBondContact CB-O 3.46Å; P78-L80 PolarHBondContact O-N 2.85Å; L80-N82 PolarHBondContact O-N 2.93Å |
| 81 | Y | 53.3 | Low | 58.7 | Low | 172 Ų | 172 | 81.9 Ų | 81.9 | 68% | 0.675 | 45% | 0.452 | S | S | * | . | trans | -57.9 | 103.5 | 172 | -179.5 | -95.1 | 0 | 0 | 0 | 108.6 | P83 | Y81-P83 HydrophobicContact CE1-CB 4.09Š| ||
| 82 | N | 50.1 | Low | 57.7 | Low | 90 Ų | 90 | 84.5 Ų | 84.5 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | trans | -105.9 | 114.5 | 168.6 | -172.5 | 4.8 | 0 | 0 | 0 | 106.7 | L80 G84 I85 | L80-N82 PolarHBondContact O-N 2.93Å; N82-G84 PolarHBondContact O-N 3.01Å; N82-I85 HydrophobicContact CB-CD1 4.24Å; N82-I85 HydrophobicContact CB-CG1 4.33Å; N82-I85 PolarHBondContact O-N 2.92Å | ||
| 83 | P | 53 | Low | 56.8 | Low | 101 Ų | 101 | 89.1 Ų | 89.1 | 66% | 0.656 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -14.1 | -177.2 | 20.7 | -31.8 | 0 | 0 | 0 | 113.9 | Y81 | Y81-P83 HydrophobicContact CE1-CB 4.09Š|
| 84 | G | 51 | Low | 55.8 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N82 | N82-G84 PolarHBondContact O-N 3.01Š|
| 85 | I | 52.1 | Low | 54.5 | Low | 41 Ų | 41 | 85.5 Ų | 85.5 | 21% | 0.21 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -102.6 | 113 | 179.9 | -56.3 | 177.5 | 0 | 0 | 0 | 108.4 | P78 N82 V87 | P78-I85 HydrophobicContact CB-CD1 4.37Å; N82-I85 HydrophobicContact CB-CD1 4.24Å; N82-I85 HydrophobicContact CB-CG1 4.33Å; N82-I85 PolarHBondContact O-N 2.92Å; I85-V87 WeakPolarHBondContact O-CG2 3.35Å; I85-V87 PolarHBondContact O-N 3.17Å |
| 86 | P | 50 | Low | 53.8 | Low | 122 Ų | 122 | 90.7 Ų | 90.7 | 79% | 0.792 | 52% | 0.524 | S | S | * | . | trans | -65.4 | 104.8 | 176.8 | 26.1 | -31.6 | 0 | 0 | 0 | 108.5 | ||||
| 87 | V | 53.5 | Low | 52.8 | Low | 33 Ų | 33 | 93.7 Ų | 93.7 | 20% | 0.2 | 54% | 0.535 | C | S | . | . | trans | -80.8 | 124.3 | 171 | -152.4 | 0 | 0 | 0 | 0 | 106.1 | P78 I85 S89 | P78-V87 HydrophobicContact CG-CG2 4.4Å; I85-V87 WeakPolarHBondContact O-CG2 3.35Å; I85-V87 PolarHBondContact O-N 3.17Å; V87-S89 VanDerWaalsContact C-N 3.27Å; V87-S89 PolarHBondContact O-N 2.77Å | ||
| 88 | P | 51.1 | Low | 51.6 | Low | 85 Ų | 85 | 99.1 Ų | 99.1 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | trans | -65.8 | 92.9 | 174.2 | 21.4 | -25.3 | 0 | 0 | 0 | 108.8 | S90 | P88-S90 VanDerWaalsContact C-N 3.27Å; P88-S90 PolarHBondContact O-N 3.11Å; P88-S90 VanDerWaalsContact O-N 3.17Å | ||
| 89 | S | 54.2 | Low | 51 | Low | 102 Ų | 102 | 103.2 Ų | 103.2 | 71% | 0.713 | 60% | 0.597 | S | S | * | * | trans | -84.1 | 72.8 | 171.6 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | V87 | V87-S89 VanDerWaalsContact C-N 3.27Å; V87-S89 PolarHBondContact O-N 2.77Å | ||
| 90 | S | 53.4 | Low | 50.5 | Low | 96 Ų | 96 | 105 Ų | 105 | 67% | 0.671 | 61% | 0.609 | S | S | * | * | trans | -91.8 | -15 | 168.8 | 52.7 | 0 | 0 | 0 | 0 | 113 | P88 | P88-S90 VanDerWaalsContact C-N 3.27Å; P88-S90 PolarHBondContact O-N 3.11Å; P88-S90 VanDerWaalsContact O-N 3.17Å | ||
| 91 | D | 49.8 | Very low | 50.1 | Low | 68 Ų | 68 | 103.4 Ų | 103.4 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | trans | -108.7 | 111.3 | 177.7 | -84.2 | -42.8 | 0 | 0 | 0 | 111.2 | Y75 D93 A94 | Y75-D91 HydrophobicContact CE1-CB 4.47Å; Y75-D91 VanDerWaalsContact CE1-OD2 3.31Å; Y75-D91 WeakPolarHBondContact CE1-OD2 3.47Å; Y75-D91 PolarHBondContact OH-OD2 3.07Å; D91-D93 PolarHBondContact O-N 3.09Å; D91-A94 HydrophobicContact CB-CB 4.45Å; D91-A94 PolarHBondContact O-N 2.72Å | ||
| 92 | P | 53.1 | Low | 49.9 | Very low | 121 Ų | 121 | 99.4 Ų | 99.4 | 79% | 0.786 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -16.2 | 171.2 | 26.3 | -31.7 | 0 | 0 | 0 | 112.9 | ||
| 93 | D | 52 | Low | 49.8 | Very low | 143 Ų | 143 | 100 Ų | 100 | 77% | 0.765 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 1.2 | -177.5 | -60.7 | -46.9 | 0 | 0 | 0 | 114.1 | D91 P95 | D91-D93 PolarHBondContact O-N 3.09Å; D93-P95 WeakPolarHBondContact O-CD 3.13Å |
| 94 | A | 50.2 | Low | 49.6 | Very low | 17 Ų | 17 | 99.9 Ų | 99.9 | 14% | 0.14 | 60% | 0.604 | C | S | . | * | S | Bend | trans | -65.9 | 120.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D91 Q96 | D91-A94 HydrophobicContact CB-CB 4.45Å; D91-A94 PolarHBondContact O-N 2.72Å; A94-Q96 PolarHBondContact O-N 2.97Å |
| 95 | P | 43.5 | Very low | 49.5 | Very low | 109 Ų | 109 | 102.6 Ų | 102.6 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | trans | -58.6 | 112 | -180 | 21.1 | -30.1 | 0 | 0 | 0 | 108.9 | D93 F97 | D93-P95 WeakPolarHBondContact O-CD 3.13Å; P95-F97 PolarHBondContact O-N 3.27Å; P95-F97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | Q | 51.5 | Low | 49.3 | Very low | 168 Ų | 168 | 107.4 Ų | 107.4 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -76.5 | 97.9 | 170.2 | -63.2 | -158.6 | 17.3 | 0 | 0 | 106.1 | A94 | A94-Q96 PolarHBondContact O-N 2.97Š| ||
| 97 | F | 42.3 | Very low | 49.3 | Very low | 165 Ų | 165 | 106.2 Ų | 106.2 | 72% | 0.724 | 62% | 0.618 | S | S | * | * | trans | 74.3 | 114.3 | 172.4 | -45.3 | -82.9 | 0 | 0 | 0 | 115 | P95 | P95-F97 PolarHBondContact O-N 3.27Å; P95-F97 VanDerWaalsContact O-N 3.11Å | ||
| 98 | V | 37 | Very low | 48.9 | Very low | 167 Ų | 167 | 112.8 Ų | 112.8 | 100% | 1.012 | 66% | 0.656 | S | S | * | * | trans | -127.9 | 0 | 143.9 | -180 | 0 | 0 | 0 | 0 | 106.9 | V64 | V64-V98 HydrophobicContact CG2-CG1 4.34Š|
Retrieved 98 of 98 residues in 175.5 ms
(Link to these results)