| 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 | 49.5 | Very low | 59.8 | Low | 233 Ų | 233 | 165.4 Ų | 165.4 | 100% | 1.148 | 78% | 0.776 | S | S | * | * | 0 | 128.1 | 0 | -81.6 | 151.5 | 72.3 | 0 | 0 | 108.3 | |||||
| 2 | P | 52.8 | Low | 60.9 | Low | 102 Ų | 102 | 158.7 Ų | 158.7 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 142.2 | -171.6 | 29.6 | -31.6 | 0 | 0 | 0 | 112.2 | F4 | P2-F4 HydrophobicContact CB-CD2 3.67Å; P2-F4 HydrophobicContact CB-CE2 3.89Å; P2-F4 HydrophobicContact CG-CD2 3.78Å; P2-F4 HydrophobicContact CG-CE2 4.1Å; P2-F4 PolarHBondContact O-N 2.85Å | ||
| 3 | K | 52.9 | Low | 62.6 | Low | 197 Ų | 197 | 159.6 Ų | 159.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -68.5 | 57.7 | -178 | -73.4 | -179.6 | 165.9 | -177.6 | 0 | 113.1 | Y5 | K3-Y5 VanDerWaalsContact C-N 3.29Å; K3-Y5 PolarHBondContact O-N 3.37Å | ||
| 4 | F | 60.6 | Low | 64 | Low | 180 Ų | 180 | 150.6 Ų | 150.6 | 79% | 0.789 | 74% | 0.738 | S | S | * | * | trans | -84.5 | 9.9 | -175.3 | -93.8 | -84.3 | 0 | 0 | 0 | 115.7 | P2 | P2-F4 HydrophobicContact CB-CD2 3.67Å; P2-F4 HydrophobicContact CB-CE2 3.89Å; P2-F4 HydrophobicContact CG-CD2 3.78Å; P2-F4 HydrophobicContact CG-CE2 4.1Å; P2-F4 PolarHBondContact O-N 2.85Å | ||
| 5 | Y | 60.4 | Low | 65.5 | Low | 203 Ų | 203 | 140.9 Ų | 140.9 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | trans | -127.7 | 87.1 | 166.7 | -111.2 | -101.3 | 0 | 0 | 0 | 106.9 | K3 D7 | K3-Y5 VanDerWaalsContact C-N 3.29Å; K3-Y5 PolarHBondContact O-N 3.37Å; Y5-D7 VanDerWaalsContact C-N 3.25Å; Y5-D7 PolarHBondContact O-N 3.04Å; Y5-D7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | E | 61.7 | Low | 67 | Low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 66% | 0.662 | S | S | * | * | trans | -73.3 | 95.3 | 156.6 | -74.9 | -160.2 | 159.9 | 0 | 0 | 105.8 | K8 | E6-K8 PolarHBondContact O-N 3.14Š| ||
| 7 | D | 61.8 | Low | 68.2 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | trans | -53.5 | 113.3 | 161.3 | -70.3 | -55.3 | 0 | 0 | 0 | 106.5 | Y5 E9 | Y5-D7 VanDerWaalsContact C-N 3.25Å; Y5-D7 PolarHBondContact O-N 3.04Å; Y5-D7 VanDerWaalsContact O-N 3.14Å; D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 3.19Å | ||
| 8 | K | 61.6 | Low | 69.4 | Low | 181 Ų | 181 | 120.4 Ų | 120.4 | 79% | 0.787 | 60% | 0.602 | S | S | * | * | trans | -56.8 | 104.8 | 165.8 | -115.6 | -177.8 | 177.2 | -176.2 | 0 | 105 | E6 E10 | E6-K8 PolarHBondContact O-N 3.14Å; K8-E10 PolarHBondContact O-N 2.83Å | ||
| 9 | E | 65.4 | Low | 70.5 | Confident | 180 Ų | 180 | 118.5 Ų | 118.5 | 84% | 0.841 | 59% | 0.587 | S | S | * | * | trans | -57.8 | 103.3 | 176 | -70.7 | -174.7 | 161.2 | 0 | 0 | 107.3 | D7 D11 | D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 3.19Å; E9-D11 PolarHBondContact O-N 3.04Å | ||
| 10 | E | 63.5 | Low | 71.5 | Confident | 182 Ų | 182 | 116.9 Ų | 116.9 | 85% | 0.85 | 58% | 0.577 | S | S | * | * | trans | -65 | 109.6 | 177.5 | -69.8 | -153 | 168 | 0 | 0 | 107.7 | K8 G12 | K8-E10 PolarHBondContact O-N 2.83Å; E10-G12 PolarHBondContact O-N 2.74Å | ||
| 11 | D | 67.4 | Low | 72.5 | Confident | 56 Ų | 56 | 115 Ų | 115 | 30% | 0.299 | 57% | 0.57 | S | S | . | * | trans | -65.3 | 97.3 | 177.5 | -87.4 | -66.7 | 0 | 0 | 0 | 108.3 | E9 R13 S16 R19 | E9-D11 PolarHBondContact O-N 3.04Å; D11-R13 PolarHBondContact O-N 2.86Å; D11-S16 WeakPolarHBondContact O-CB 3.36Å; D11-S16 PolarHBondContact O-OG 3.18Å; D11-R19 IonicContact OD1-NH2 2.62Å; D11-R19 PolarHBondContact OD1-NH2 3.31Å; D11-R19 IonicContact OD2-CZ 3.59Å; D11-R19 IonicContact OD2-NH1 3.61Å; D11-R19 IonicContact OD2-NH2 2.65Å; D11-R19 PolarHBondContact OD2-NH2 3.45Å | ||
| 12 | G | 73.4 | Confident | 74.5 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 88% | 0.876 | 52% | 0.519 | S | S | * | . | trans | -67.3 | 13.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E10 | E10-G12 PolarHBondContact O-N 2.74Š| ||
| 13 | R | 82.4 | Confident | 76.3 | Confident | 171 Ų | 171 | 108.5 Ų | 108.5 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -77.1 | 145.5 | 179 | -64.2 | 177.2 | -175.7 | 176.1 | 3.5 | 109.5 | D11 C15 S16 | D11-R13 PolarHBondContact O-N 2.86Å; R13-C15 PolarHBondContact O-N 3.05Å; R13-S16 WeakPolarHBondContact O-CB 3.26Å; R13-S16 PolarHBondContact O-N 2.93Å; R13-S16 VanDerWaalsContact O-N 3.12Å; R13-S16 PolarHBondContact O-OG 2.79Å |
| 14 | A | 82.3 | Confident | 78.1 | Confident | 33 Ų | 33 | 101.1 Ų | 101.1 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 139.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S16 M62 | A14-S16 VanDerWaalsContact C-N 3.25Å; A14-S16 PolarHBondContact O-N 3.37Å; A14-M62 HydrophobicContact CB-CE 4.19Å; A14-M62 HydrophobicContact CB-CG 4.44Å; A14-M62 HydrophobicContact CB-SD 3.18Å; A14-M62 WeakPolarHBondContact CB-SD 3.24Å |
| 15 | C | 87.5 | Confident | 79.7 | Confident | 6 Ų | 6 | 94.2 Ų | 94.2 | 4% | 0.041 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 22.6 | -175.7 | -41 | 0 | 0 | 0 | 0 | 114.1 | R13 I18 R19 F55 C58 | R13-C15 PolarHBondContact O-N 3.05Å; C15-I18 PolarHBondContact O-N 2.65Å; C15-R19 WeakPolarHBondContact O-CB 3.29Å; C15-R19 PolarHBondContact O-N 2.83Å; C15-F55 HydrophobicContact CB-CE2 4.43Å; C15-C58 HydrophobicContact CB-CB 3.83Å; C15-C58 WeakPolarHBondContact CB-SG 3.02Å; C15-C58 WeakPolarHBondContact SG-CB 3.32Å; C15-C58 CovalentContact SG-SG 2.02Å; C15-C58 PolarHBondContact SG-SG 3.31Å |
| 16 | S | 88.1 | Confident | 81.1 | Confident | 31 Ų | 31 | 85 Ų | 85 | 22% | 0.217 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | -179.4 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | D11 R13 A14 I18 R19 E20 | D11-S16 WeakPolarHBondContact O-CB 3.36Å; D11-S16 PolarHBondContact O-OG 3.18Å; R13-S16 WeakPolarHBondContact O-CB 3.26Å; R13-S16 PolarHBondContact O-N 2.93Å; R13-S16 VanDerWaalsContact O-N 3.12Å; R13-S16 PolarHBondContact O-OG 2.79Å; A14-S16 VanDerWaalsContact C-N 3.25Å; A14-S16 PolarHBondContact O-N 3.37Å; S16-I18 VanDerWaalsContact C-N 3.34Å; S16-I18 PolarHBondContact O-N 3.02Å; S16-R19 WeakPolarHBondContact O-CA 2.98Å; S16-R19 WeakPolarHBondContact O-CB 3.38Å; S16-R19 PolarHBondContact O-N 3.04Å; S16-E20 PolarHBondContact O-N 2.87Å |
| 17 | G | 88.4 | Confident | 82.5 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -54.7 | -50 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R19 E20 D21 | G17-R19 PolarHBondContact O-N 2.98Å; G17-E20 PolarHBondContact O-N 2.97Å; G17-E20 VanDerWaalsContact O-N 3.08Å; G17-D21 PolarHBondContact O-N 3.18Å |
| 18 | I | 90.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.5 | -37 | -179.7 | -64.5 | 165.1 | 0 | 0 | 0 | 111.2 | C15 S16 E20 F22 F55 C58 Y75 | C15-I18 PolarHBondContact O-N 2.65Å; S16-I18 VanDerWaalsContact C-N 3.34Å; S16-I18 PolarHBondContact O-N 3.02Å; I18-E20 VanDerWaalsContact C-N 3.33Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 3.21Å; I18-F55 HydrophobicContact CB-CD2 4.34Å; I18-F55 HydrophobicContact CG2-CB 3.64Å; I18-F55 HydrophobicContact CG2-CD2 3.94Å; I18-F55 HydrophobicContact CG2-CG 4.28Å; I18-C58 HydrophobicContact CD1-CB 3.6Å; I18-Y75 VanDerWaalsContact CA-CE2 3.45Å; I18-Y75 VanDerWaalsContact CA-CZ 3.46Å; I18-Y75 VanDerWaalsContact CA-OH 3.25Å; I18-Y75 WeakPolarHBondContact CA-OH 3.3Å; I18-Y75 HydrophobicContact CB-CE1 4.33Å; I18-Y75 HydrophobicContact CB-CE2 4.07Å; I18-Y75 HydrophobicContact CD1-CD1 4.15Å; I18-Y75 HydrophobicContact CD1-CE1 3.94Å; I18-Y75 HydrophobicContact CG1-CD1 3.69Å; I18-Y75 HydrophobicContact CG1-CD2 3.87Å; I18-Y75 HydrophobicContact CG1-CE1 3.16Å; I18-Y75 HydrophobicContact CG1-CE2 3.48Å; I18-Y75 VanDerWaalsContact CG1-CE2 3.48Å; I18-Y75 HydrophobicContact CG1-CG 3.99Å; I18-Y75 WeakPolarHBondContact CG1-OH 3.47Å |
| 19 | R | 89.7 | Confident | 85.3 | Confident | 84 Ų | 84 | 76 Ų | 76 | 32% | 0.317 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.9 | -170.8 | 172.8 | 56.8 | 122.4 | 0 | 111.9 | D11 C15 S16 G17 R23 F55 | D11-R19 IonicContact OD1-NH2 2.62Å; D11-R19 PolarHBondContact OD1-NH2 3.31Å; D11-R19 IonicContact OD2-CZ 3.59Å; D11-R19 IonicContact OD2-NH1 3.61Å; D11-R19 IonicContact OD2-NH2 2.65Å; D11-R19 PolarHBondContact OD2-NH2 3.45Å; C15-R19 WeakPolarHBondContact O-CB 3.29Å; C15-R19 PolarHBondContact O-N 2.83Å; S16-R19 WeakPolarHBondContact O-CA 2.98Å; S16-R19 WeakPolarHBondContact O-CB 3.38Å; S16-R19 PolarHBondContact O-N 3.04Å; G17-R19 PolarHBondContact O-N 2.98Å; R19-R23 VanDerWaalsContact O-CB 3.27Å; R19-R23 WeakPolarHBondContact O-CB 3.47Å; R19-R23 PolarHBondContact O-N 3.46Å; R19-F55 HydrophobicContact CB-CD2 4.46Å; R19-F55 HydrophobicContact CB-CE2 3.88Å; R19-F55 HydrophobicContact CG-CE2 4.22Å; R19-F55 HydrophobicContact CG-CZ 4.45Å |
| 20 | E | 91.1 | Very high | 86.5 | Confident | 85 Ų | 85 | 71 Ų | 71 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.3 | -48.2 | 177 | -72.6 | -179.4 | -151.5 | 0 | 0 | 111.5 | S16 G17 I18 F22 R23 A24 | S16-E20 PolarHBondContact O-N 2.87Å; G17-E20 PolarHBondContact O-N 2.97Å; G17-E20 VanDerWaalsContact O-N 3.08Å; I18-E20 VanDerWaalsContact C-N 3.33Å; E20-F22 VanDerWaalsContact C-N 3.32Å; E20-F22 PolarHBondContact O-N 2.85Å; E20-R23 WeakPolarHBondContact O-CB 3.44Å; E20-R23 PolarHBondContact O-N 2.96Å; E20-A24 WeakPolarHBondContact O-CB 3.36Å; E20-A24 PolarHBondContact O-N 3.38Å |
| 21 | D | 91.1 | Very high | 87.7 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.4 | -68.1 | -29.2 | 0 | 0 | 0 | 111.5 | G17 R23 A24 C25 L51 Y75 | G17-D21 PolarHBondContact O-N 3.18Å; D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.43Å; D21-A24 PolarHBondContact O-N 3.44Å; D21-C25 WeakPolarHBondContact O-CB 3.49Å; D21-C25 PolarHBondContact O-N 2.92Å; D21-L51 HydrophobicContact CB-CD1 4.44Å; D21-L51 HydrophobicContact CB-CD2 4.22Å; D21-Y75 VanDerWaalsContact OD2-CE2 3.29Å; D21-Y75 WeakPolarHBondContact OD2-CE2 3.43Å; D21-Y75 PolarHBondContact OD2-OH 3.33Å |
| 22 | F | 91.4 | Very high | 88.9 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 177.6 | -173.8 | -130.5 | 0 | 0 | 0 | 112 | I18 E20 L26 L43 C48 L51 Q52 | I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 3.21Å; E20-F22 VanDerWaalsContact C-N 3.32Å; E20-F22 PolarHBondContact O-N 2.85Å; F22-L26 HydrophobicContact CD1-CD1 4.36Å; F22-L26 HydrophobicContact CE1-CD1 3.95Å; F22-L26 HydrophobicContact CE2-CD1 4.17Å; F22-L26 HydrophobicContact CE2-CG 4.32Å; F22-L26 HydrophobicContact CZ-CD1 3.86Å; F22-L26 HydrophobicContact CZ-CG 4.47Å; F22-L26 PolarHBondContact O-N 3.45Å; F22-L26 VanDerWaalsContact O-N 3.09Å; F22-L43 HydrophobicContact CE1-CD2 3.98Å; F22-L43 HydrophobicContact CZ-CD2 3.63Å; F22-L43 HydrophobicContact CZ-CG 4.48Å; F22-C48 HydrophobicContact CD2-CB 4.12Å; F22-C48 HydrophobicContact CE2-CB 3.85Å; F22-L51 HydrophobicContact CB-CB 4.29Å; F22-L51 HydrophobicContact CD2-CB 3.64Å; F22-L51 HydrophobicContact CE2-CB 4.44Å; F22-L51 HydrophobicContact CG-CB 4.38Å; F22-Q52 HydrophobicContact CE2-CB 3.77Å; F22-Q52 HydrophobicContact CE2-CG 4.45Å; F22-Q52 HydrophobicContact CZ-CB 3.86Å; F22-Q52 HydrophobicContact CZ-CG 4.03Å |
| 23 | R | 90.6 | Very high | 89.7 | Confident | 178 Ų | 178 | 61.7 Ų | 61.7 | 67% | 0.672 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 174.5 | -175.6 | -175.7 | -171 | -167.8 | 1.9 | 111.2 | R19 E20 D21 C25 L26 L27 | R19-R23 VanDerWaalsContact O-CB 3.27Å; R19-R23 WeakPolarHBondContact O-CB 3.47Å; R19-R23 PolarHBondContact O-N 3.46Å; E20-R23 WeakPolarHBondContact O-CB 3.44Å; E20-R23 PolarHBondContact O-N 2.96Å; D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.43Å; R23-C25 VanDerWaalsContact C-N 3.34Å; R23-L26 PolarHBondContact O-N 2.62Å; R23-L27 HydrophobicContact CG-CD1 3.94Å; R23-L27 HydrophobicContact CG-CG 4.5Å; R23-L27 WeakPolarHBondContact O-CG 3.32Å; R23-L27 PolarHBondContact O-N 3.22Å |
| 24 | A | 91.9 | Very high | 90.1 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | E20 D21 L26 L27 Q28 | E20-A24 WeakPolarHBondContact O-CB 3.36Å; E20-A24 PolarHBondContact O-N 3.38Å; D21-A24 PolarHBondContact O-N 3.44Å; A24-L26 PolarHBondContact O-N 3.05Å; A24-L27 PolarHBondContact O-N 3.37Å; A24-Q28 WeakPolarHBondContact O-CB 3.13Å; A24-Q28 WeakPolarHBondContact O-CG 3.03Å; A24-Q28 PolarHBondContact O-N 3.09Å |
| 25 | C | 93.4 | Very high | 90.4 | Very high | 35 Ų | 35 | 64.5 Ų | 64.5 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57 | -50.3 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | D21 R23 L27 Q28 H29 C48 L51 | D21-C25 WeakPolarHBondContact O-CB 3.49Å; D21-C25 PolarHBondContact O-N 2.92Å; R23-C25 VanDerWaalsContact C-N 3.34Å; C25-L27 PolarHBondContact O-N 2.89Å; C25-Q28 PolarHBondContact O-N 3.24Å; C25-H29 WeakPolarHBondContact O-CB 3.47Å; C25-H29 PolarHBondContact O-N 2.86Å; C25-C48 HydrophobicContact CB-CB 3.98Å; C25-C48 WeakPolarHBondContact CB-SG 3.4Å; C25-C48 WeakPolarHBondContact SG-CB 3.27Å; C25-C48 CovalentContact SG-SG 2.04Å; C25-C48 PolarHBondContact SG-SG 3.5Å; C25-L51 HydrophobicContact CB-CD1 3.54Å |
| 26 | L | 90.8 | Very high | 90.5 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | -179.5 | -78 | 170.3 | 0 | 0 | 0 | 112.9 | F22 R23 A24 H29 V32 C42 L43 | F22-L26 HydrophobicContact CD1-CD1 4.36Å; F22-L26 HydrophobicContact CE1-CD1 3.95Å; F22-L26 HydrophobicContact CE2-CD1 4.17Å; F22-L26 HydrophobicContact CE2-CG 4.32Å; F22-L26 HydrophobicContact CZ-CD1 3.86Å; F22-L26 HydrophobicContact CZ-CG 4.47Å; F22-L26 PolarHBondContact O-N 3.45Å; F22-L26 VanDerWaalsContact O-N 3.09Å; R23-L26 PolarHBondContact O-N 2.62Å; A24-L26 PolarHBondContact O-N 3.05Å; L26-H29 PolarHBondContact O-N 2.03Å; L26-V32 WeakPolarHBondContact O-CG2 3.27Å; L26-C42 HydrophobicContact CD2-CB 4.4Å; L26-L43 HydrophobicContact CD1-CD1 3.83Å; L26-L43 HydrophobicContact CD1-CD2 4.44Å; L26-L43 HydrophobicContact CD1-CG 3.9Å; L26-L43 HydrophobicContact CD2-CG 4.3Å |
| 27 | L | 89.6 | Confident | 90.5 | Very high | 86 Ų | 86 | 68.9 Ų | 68.9 | 45% | 0.45 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71 | -31.9 | -179.2 | -70.6 | 173.8 | 0 | 0 | 0 | 112.9 | R23 A24 C25 V33 | R23-L27 HydrophobicContact CG-CD1 3.94Å; R23-L27 HydrophobicContact CG-CG 4.5Å; R23-L27 WeakPolarHBondContact O-CG 3.32Å; R23-L27 PolarHBondContact O-N 3.22Å; A24-L27 PolarHBondContact O-N 3.37Å; C25-L27 PolarHBondContact O-N 2.89Å; L27-V33 VanDerWaalsContact O-CG2 3.24Å; L27-V33 WeakPolarHBondContact O-CG2 3.41Å |
| 28 | Q | 90.6 | Very high | 90.6 | Very high | 150 Ų | 150 | 73.8 Ų | 73.8 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -86.3 | -16.6 | 177.2 | -68.8 | 177.1 | -14.1 | 0 | 0 | 112.9 | A24 C25 | A24-Q28 WeakPolarHBondContact O-CB 3.13Å; A24-Q28 WeakPolarHBondContact O-CG 3.03Å; A24-Q28 PolarHBondContact O-N 3.09Å; C25-Q28 PolarHBondContact O-N 3.24Å |
| 29 | H | 91.6 | Very high | 90.4 | Very high | 59 Ų | 59 | 76 Ų | 76 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -65.5 | 145.4 | -177.3 | -155.1 | -88.7 | 0 | 0 | 0 | 111.7 | C25 L26 C31 V32 V33 H47 | C25-H29 WeakPolarHBondContact O-CB 3.47Å; C25-H29 PolarHBondContact O-N 2.86Å; L26-H29 PolarHBondContact O-N 2.03Å; H29-C31 PolarHBondContact O-N 3.26Å; H29-V32 PolarHBondContact O-N 3.4Å; H29-V33 PolarHBondContact O-N 3.41Å; H29-H47 AromaticContact CE1-CE1 3.72Å; H29-H47 AromaticContact CE1-CG 3.48Å; H29-H47 VanDerWaalsContact CE1-CG 3.48Å; H29-H47 AromaticContact CE1-ND1 2.99Å; H29-H47 PolarHBondContact CE1-ND1 3.4Å; H29-H47 AromaticContact ND1-CG 3.54Å; H29-H47 AromaticContact ND1-ND1 3.5Å; H29-H47 PolarHBondContact ND1-ND1 3.18Å; H29-H47 AromaticContact NE2-ND1 3.74Å |
| 30 | D | 90.5 | Very high | 90.4 | Very high | 76 Ų | 76 | 75.7 Ų | 75.7 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53 | -30.7 | -179.3 | -76.7 | -12.1 | 0 | 0 | 0 | 114 | V32 K34 E35 | D30-V32 VanDerWaalsContact C-N 3.29Å; D30-V32 PolarHBondContact O-N 2.89Å; D30-K34 HydrophobicContact CB-CD 3.9Å; D30-K34 HydrophobicContact CB-CG 4.27Å; D30-K34 VanDerWaalsContact CG-CE 3.42Å; D30-K34 WeakPolarHBondContact O-CA 3.46Å; D30-K34 VanDerWaalsContact O-CB 3.26Å; D30-K34 WeakPolarHBondContact O-CB 3.48Å; D30-K34 PolarHBondContact O-N 2.73Å; D30-K34 WeakPolarHBondContact OD1-CE 3.44Å; D30-K34 IonicContact OD1-NZ 3.04Å; D30-K34 PolarHBondContact OD1-NZ 2.93Å; D30-K34 IonicContact OD2-NZ 2.74Å; D30-K34 PolarHBondContact OD2-NZ 3.1Å; D30-E35 PolarHBondContact O-N 2.56Å |
| 31 | C | 90.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 177.7 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | H29 E35 K37 C42 E45 H47 | H29-C31 PolarHBondContact O-N 3.26Å; C31-E35 WeakPolarHBondContact O-CB 3.29Å; C31-K37 WeakPolarHBondContact O-CB 2.88Å; C31-K37 PolarHBondContact O-N 3.43Å; C31-C42 VanDerWaalsContact C-SG 3.54Å; C31-C42 HydrophobicContact CB-CB 3.79Å; C31-C42 WeakPolarHBondContact CB-SG 3.42Å; C31-C42 WeakPolarHBondContact SG-CA 3.09Å; C31-C42 WeakPolarHBondContact SG-CB 3.48Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 2.04Å; C31-E45 PolarHBondContact SG-OE2 3.21Å; C31-E45 VanDerWaalsContact SG-OE2 3.41Å; C31-H47 VanDerWaalsContact CB-CD2 3.48Å; C31-H47 WeakPolarHBondContact CB-CD2 3.36Å |
| 32 | V | 91.2 | Very high | 90.2 | Very high | 30 Ų | 30 | 72.6 Ų | 72.6 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -88.1 | -44.1 | 176.5 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | L26 H29 D30 G36 P39 C42 | L26-V32 WeakPolarHBondContact O-CG2 3.27Å; H29-V32 PolarHBondContact O-N 3.4Å; D30-V32 VanDerWaalsContact C-N 3.29Å; D30-V32 PolarHBondContact O-N 2.89Å; V32-G36 WeakPolarHBondContact O-CA 3.01Å; V32-G36 PolarHBondContact O-N 3.25Å; V32-P39 HydrophobicContact CG2-CB 4.43Å; V32-P39 HydrophobicContact CG2-CG 4.1Å; V32-C42 HydrophobicContact CG2-CB 4.44Å; V32-C42 VanDerWaalsContact CG2-SG 3.59Å |
| 33 | V | 91.4 | Very high | 90 | Very high | 96 Ų | 96 | 74.2 Ų | 74.2 | 58% | 0.582 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -76.2 | -45.6 | -172.3 | -179.5 | 0 | 0 | 0 | 0 | 112.8 | L27 H29 | L27-V33 VanDerWaalsContact O-CG2 3.24Å; L27-V33 WeakPolarHBondContact O-CG2 3.41Å; H29-V33 PolarHBondContact O-N 3.41Å |
| 34 | K | 90.3 | Very high | 89.9 | Confident | 152 Ų | 152 | 74.7 Ų | 74.7 | 66% | 0.661 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -44.3 | -175 | -60.2 | -179.4 | -179.4 | 160.8 | 0 | 112 | D30 | D30-K34 HydrophobicContact CB-CD 3.9Å; D30-K34 HydrophobicContact CB-CG 4.27Å; D30-K34 VanDerWaalsContact CG-CE 3.42Å; D30-K34 WeakPolarHBondContact O-CA 3.46Å; D30-K34 VanDerWaalsContact O-CB 3.26Å; D30-K34 WeakPolarHBondContact O-CB 3.48Å; D30-K34 PolarHBondContact O-N 2.73Å; D30-K34 WeakPolarHBondContact OD1-CE 3.44Å; D30-K34 IonicContact OD1-NZ 3.04Å; D30-K34 PolarHBondContact OD1-NZ 2.93Å; D30-K34 IonicContact OD2-NZ 2.74Å; D30-K34 PolarHBondContact OD2-NZ 3.1Å |
| 35 | E | 88.7 | Confident | 89.7 | Confident | 111 Ų | 111 | 77 Ų | 77 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13 | -175.7 | -54.7 | -176.9 | -177.1 | 0 | 0 | 113 | D30 C31 K37 | D30-E35 PolarHBondContact O-N 2.56Å; C31-E35 WeakPolarHBondContact O-CB 3.29Å; E35-K37 HydrophobicContact CB-CD 4.29Å; E35-K37 HydrophobicContact CB-CG 4.1Å; E35-K37 PolarHBondContact O-N 2.98Å; E35-K37 VanDerWaalsContact OE2-CD 3.29Å; E35-K37 WeakPolarHBondContact OE2-CD 3.17Å; E35-K37 WeakPolarHBondContact OE2-CE 3.49Å; E35-K37 IonicContact OE2-NZ 2.89Å; E35-K37 PolarHBondContact OE2-NZ 3.14Å |
| 36 | G | 88.9 | Confident | 89.4 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | trans | 64.9 | 16.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V32 | V32-G36 WeakPolarHBondContact O-CA 3.01Å; V32-G36 PolarHBondContact O-N 3.25Å | ||
| 37 | K | 89.4 | Confident | 89.2 | Confident | 64 Ų | 64 | 77.7 Ų | 77.7 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | trans | -72 | 154.7 | 179.5 | -71.2 | 176.4 | 178.2 | 165.2 | 0 | 110.7 | C31 E35 E45 | C31-K37 WeakPolarHBondContact O-CB 2.88Å; C31-K37 PolarHBondContact O-N 3.43Å; E35-K37 HydrophobicContact CB-CD 4.29Å; E35-K37 HydrophobicContact CB-CG 4.1Å; E35-K37 PolarHBondContact O-N 2.98Å; E35-K37 VanDerWaalsContact OE2-CD 3.29Å; E35-K37 WeakPolarHBondContact OE2-CD 3.17Å; E35-K37 WeakPolarHBondContact OE2-CE 3.49Å; E35-K37 IonicContact OE2-NZ 2.89Å; E35-K37 PolarHBondContact OE2-NZ 3.14Å; K37-E45 IonicContact NZ-OE1 3.81Å; K37-E45 PolarHBondContact NZ-OE1 3.12Å; K37-E45 IonicContact NZ-OE2 2.73Å | ||
| 38 | M | 88.7 | Confident | 89.2 | Confident | 127 Ų | 127 | 74.3 Ų | 74.3 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | trans | -66.4 | 141.7 | 173.5 | -65.2 | -164.7 | 79.6 | 0 | 0 | 110.2 | S40 Q41 C42 | M38-S40 PolarHBondContact O-N 2.84Å; M38-Q41 HydrophobicContact CB-CG 4.48Å; M38-Q41 WeakPolarHBondContact O-CA 3.34Å; M38-Q41 WeakPolarHBondContact O-CB 3.15Å; M38-Q41 PolarHBondContact O-N 3.08Å; M38-C42 PolarHBondContact O-N 3.05Å | ||
| 39 | P | 87.7 | Confident | 89.3 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -52.6 | -33.8 | 176.9 | -28.3 | 34.2 | 0 | 0 | 0 | 113.5 | V32 Q41 C42 L43 | V32-P39 HydrophobicContact CG2-CB 4.43Å; V32-P39 HydrophobicContact CG2-CG 4.1Å; P39-Q41 VanDerWaalsContact C-N 3.3Å; P39-Q41 PolarHBondContact O-N 2.94Å; P39-C42 PolarHBondContact O-N 3.03Å; P39-L43 WeakPolarHBondContact O-CB 3.36Å; P39-L43 PolarHBondContact O-N 2.99Å |
| 40 | S | 88.1 | Confident | 89.2 | Confident | 76 Ų | 76 | 74.9 Ų | 74.9 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.8 | -30.5 | 175.4 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | M38 | M38-S40 PolarHBondContact O-N 2.84Å |
| 41 | Q | 89.8 | Confident | 89.3 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.3 | -44 | 173.1 | -69.6 | 176.2 | -23.4 | 0 | 0 | 110.1 | M38 P39 L43 K44 E45 | M38-Q41 HydrophobicContact CB-CG 4.48Å; M38-Q41 WeakPolarHBondContact O-CA 3.34Å; M38-Q41 WeakPolarHBondContact O-CB 3.15Å; M38-Q41 PolarHBondContact O-N 3.08Å; P39-Q41 VanDerWaalsContact C-N 3.3Å; P39-Q41 PolarHBondContact O-N 2.94Å; Q41-L43 PolarHBondContact O-N 3.46Å; Q41-K44 WeakPolarHBondContact O-CB 3.05Å; Q41-K44 PolarHBondContact O-N 3.26Å; Q41-E45 PolarHBondContact O-N 3.06Å; Q41-E45 VanDerWaalsContact O-N 3.1Å |
| 42 | C | 88.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.2 | -33.6 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | L26 C31 V32 M38 P39 E45 G46 H47 | L26-C42 HydrophobicContact CD2-CB 4.4Å; C31-C42 VanDerWaalsContact C-SG 3.54Å; C31-C42 HydrophobicContact CB-CB 3.79Å; C31-C42 WeakPolarHBondContact CB-SG 3.42Å; C31-C42 WeakPolarHBondContact SG-CA 3.09Å; C31-C42 WeakPolarHBondContact SG-CB 3.48Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 2.04Å; V32-C42 HydrophobicContact CG2-CB 4.44Å; V32-C42 VanDerWaalsContact CG2-SG 3.59Å; M38-C42 PolarHBondContact O-N 3.05Å; P39-C42 PolarHBondContact O-N 3.03Å; C42-E45 PolarHBondContact O-N 3.37Å; C42-G46 PolarHBondContact O-N 2.89Å; C42-H47 PolarHBondContact O-CD2 3.29Å; C42-H47 VanDerWaalsContact O-CD2 3.25Å; C42-H47 PolarHBondContact O-N 3.41Å |
| 43 | L | 87.5 | Confident | 89.3 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 29% | 0.293 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 171.3 | -97.5 | 148.9 | 0 | 0 | 0 | 113.1 | F22 L26 P39 Q41 G46 | F22-L43 HydrophobicContact CE1-CD2 3.98Å; F22-L43 HydrophobicContact CZ-CD2 3.63Å; F22-L43 HydrophobicContact CZ-CG 4.48Å; L26-L43 HydrophobicContact CD1-CD1 3.83Å; L26-L43 HydrophobicContact CD1-CD2 4.44Å; L26-L43 HydrophobicContact CD1-CG 3.9Å; L26-L43 HydrophobicContact CD2-CG 4.3Å; P39-L43 WeakPolarHBondContact O-CB 3.36Å; P39-L43 PolarHBondContact O-N 2.99Å; Q41-L43 PolarHBondContact O-N 3.46Å; L43-G46 PolarHBondContact O-N 3.41Å |
| 44 | K | 88.4 | Confident | 89.3 | Confident | 188 Ų | 188 | 75.3 Ų | 75.3 | 82% | 0.817 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -72.8 | -31.5 | 178.4 | -69.8 | 178.6 | 179.6 | -178.2 | 0 | 112.1 | Q41 G46 | Q41-K44 WeakPolarHBondContact O-CB 3.05Å; Q41-K44 PolarHBondContact O-N 3.26Å; K44-G46 PolarHBondContact O-N 3.22Å |
| 45 | E | 87.9 | Confident | 89.3 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.6 | -16.6 | 173.8 | -66.4 | 175.6 | -176.7 | 0 | 0 | 112.4 | C31 K37 Q41 C42 H47 | C31-E45 PolarHBondContact SG-OE2 3.21Å; C31-E45 VanDerWaalsContact SG-OE2 3.41Å; K37-E45 IonicContact NZ-OE1 3.81Å; K37-E45 PolarHBondContact NZ-OE1 3.12Å; K37-E45 IonicContact NZ-OE2 2.73Å; Q41-E45 PolarHBondContact O-N 3.06Å; Q41-E45 VanDerWaalsContact O-N 3.1Å; C42-E45 PolarHBondContact O-N 3.37Å; E45-H47 IonicContact OE2-CD2 3.54Å; E45-H47 IonicContact OE2-NE2 3.22Å; E45-H47 PolarHBondContact OE2-NE2 2.97Å |
| 46 | G | 86.7 | Confident | 89.4 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C42 L43 K44 K49 | C42-G46 PolarHBondContact O-N 2.89Å; L43-G46 PolarHBondContact O-N 3.41Å; K44-G46 PolarHBondContact O-N 3.22Å; G46-K49 VanDerWaalsContact O-CE 3.28Å; G46-K49 WeakPolarHBondContact O-CE 3.25Å; G46-K49 VanDerWaalsContact O-CG 3.29Å; G46-K49 WeakPolarHBondContact O-CG 3.18Å |
| 47 | H | 87.1 | Confident | 89.6 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 148.3 | 168.1 | -61 | -60.5 | 0 | 0 | 0 | 110.5 | H29 C31 C42 E45 K49 | H29-H47 AromaticContact CE1-CE1 3.72Å; H29-H47 AromaticContact CE1-CG 3.48Å; H29-H47 VanDerWaalsContact CE1-CG 3.48Å; H29-H47 AromaticContact CE1-ND1 2.99Å; H29-H47 PolarHBondContact CE1-ND1 3.4Å; H29-H47 AromaticContact ND1-CG 3.54Å; H29-H47 AromaticContact ND1-ND1 3.5Å; H29-H47 PolarHBondContact ND1-ND1 3.18Å; H29-H47 AromaticContact NE2-ND1 3.74Å; C31-H47 VanDerWaalsContact CB-CD2 3.48Å; C31-H47 WeakPolarHBondContact CB-CD2 3.36Å; C42-H47 PolarHBondContact O-CD2 3.29Å; C42-H47 VanDerWaalsContact O-CD2 3.25Å; C42-H47 PolarHBondContact O-N 3.41Å; E45-H47 IonicContact OE2-CD2 3.54Å; E45-H47 IonicContact OE2-NE2 3.22Å; E45-H47 PolarHBondContact OE2-NE2 2.97Å; H47-K49 PolarHBondContact O-N 3.5Å |
| 48 | C | 90.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 11% | 0.108 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 34.1 | -177.8 | -55.5 | 0 | 0 | 0 | 0 | 115.2 | F22 C25 A50 L51 Q52 | F22-C48 HydrophobicContact CD2-CB 4.12Å; F22-C48 HydrophobicContact CE2-CB 3.85Å; C25-C48 HydrophobicContact CB-CB 3.98Å; C25-C48 WeakPolarHBondContact CB-SG 3.4Å; C25-C48 WeakPolarHBondContact SG-CB 3.27Å; C25-C48 CovalentContact SG-SG 2.04Å; C25-C48 PolarHBondContact SG-SG 3.5Å; C48-A50 VanDerWaalsContact C-N 3.29Å; C48-A50 PolarHBondContact O-N 2.93Å; C48-A50 VanDerWaalsContact O-N 3.16Å; C48-L51 PolarHBondContact O-N 2.02Å; C48-L51 VanDerWaalsContact O-N 3.12Å; C48-Q52 PolarHBondContact O-N 3.12Å |
| 49 | K | 91 | Very high | 89.7 | Confident | 137 Ų | 137 | 67.8 Ų | 67.8 | 60% | 0.596 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -50.2 | -40 | -178 | -87.8 | 169.5 | -168.3 | 179.6 | 0 | 115 | G46 H47 L51 Q52 T53 | G46-K49 VanDerWaalsContact O-CE 3.28Å; G46-K49 WeakPolarHBondContact O-CE 3.25Å; G46-K49 VanDerWaalsContact O-CG 3.29Å; G46-K49 WeakPolarHBondContact O-CG 3.18Å; H47-K49 PolarHBondContact O-N 3.5Å; K49-L51 PolarHBondContact O-N 3.48Å; K49-Q52 WeakPolarHBondContact O-CB 2.98Å; K49-Q52 PolarHBondContact O-N 2.99Å; K49-T53 PolarHBondContact O-N 3.08Å; K49-T53 PolarHBondContact O-OG1 2.95Å |
| 50 | A | 90.7 | Very high | 89.8 | Confident | 83 Ų | 83 | 72.9 Ų | 72.9 | 69% | 0.686 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.1 | -47.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C48 T53 S54 | C48-A50 VanDerWaalsContact C-N 3.29Å; C48-A50 PolarHBondContact O-N 2.93Å; C48-A50 VanDerWaalsContact O-N 3.16Å; A50-T53 PolarHBondContact O-N 3.16Å; A50-S54 PolarHBondContact O-N 3.4Å |
| 51 | L | 91.4 | Very high | 89.9 | Confident | 45 Ų | 45 | 69.7 Ų | 69.7 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.6 | -31.6 | 177 | -69.9 | 172.3 | 0 | 0 | 0 | 112.3 | D21 F22 C25 C48 K49 S54 F55 | D21-L51 HydrophobicContact CB-CD1 4.44Å; D21-L51 HydrophobicContact CB-CD2 4.22Å; F22-L51 HydrophobicContact CB-CB 4.29Å; F22-L51 HydrophobicContact CD2-CB 3.64Å; F22-L51 HydrophobicContact CE2-CB 4.44Å; F22-L51 HydrophobicContact CG-CB 4.38Å; C25-L51 HydrophobicContact CB-CD1 3.54Å; C48-L51 PolarHBondContact O-N 2.02Å; C48-L51 VanDerWaalsContact O-N 3.12Å; K49-L51 PolarHBondContact O-N 3.48Å; L51-S54 WeakPolarHBondContact CA-OG 3.28Å; L51-S54 PolarHBondContact O-OG 3.46Å; L51-F55 VanDerWaalsContact O-CB 3.27Å; L51-F55 WeakPolarHBondContact O-CB 3.04Å; L51-F55 PolarHBondContact O-N 3.23Å |
| 52 | Q | 91 | Very high | 89.7 | Confident | 68 Ų | 68 | 69 Ų | 69 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63 | -45 | 172.5 | -170.7 | -179.8 | 19.3 | 0 | 0 | 111.3 | F22 C48 K49 F55 F56 | F22-Q52 HydrophobicContact CE2-CB 3.77Å; F22-Q52 HydrophobicContact CE2-CG 4.45Å; F22-Q52 HydrophobicContact CZ-CB 3.86Å; F22-Q52 HydrophobicContact CZ-CG 4.03Å; C48-Q52 PolarHBondContact O-N 3.12Å; K49-Q52 WeakPolarHBondContact O-CB 2.98Å; K49-Q52 PolarHBondContact O-N 2.99Å; Q52-F55 PolarHBondContact O-N 3.43Å; Q52-F56 WeakPolarHBondContact O-CB 3.4Å; Q52-F56 PolarHBondContact O-N 2.99Å |
| 53 | T | 91.9 | Very high | 89.7 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 44% | 0.436 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 111 | K49 A50 F55 F56 E57 | K49-T53 PolarHBondContact O-N 3.08Å; K49-T53 PolarHBondContact O-OG1 2.95Å; A50-T53 PolarHBondContact O-N 3.16Å; T53-F55 VanDerWaalsContact C-N 3.34Å; T53-F55 PolarHBondContact O-N 3.48Å; T53-F56 WeakPolarHBondContact O-CB 3.48Å; T53-F56 PolarHBondContact O-N 3.49Å; T53-E57 HydrophobicContact CG2-CG 4.41Å; T53-E57 WeakPolarHBondContact O-CB 3.15Å; T53-E57 WeakPolarHBondContact O-CG 3.29Å; T53-E57 PolarHBondContact O-N 3.01Å |
| 54 | S | 91.2 | Very high | 89.6 | Confident | 29 Ų | 29 | 76.2 Ų | 76.2 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 178.2 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | A50 L51 F56 E57 C58 | A50-S54 PolarHBondContact O-N 3.4Å; L51-S54 WeakPolarHBondContact CA-OG 3.28Å; L51-S54 PolarHBondContact O-OG 3.46Å; S54-F56 VanDerWaalsContact C-N 3.34Å; S54-F56 PolarHBondContact O-N 3.4Å; S54-E57 PolarHBondContact O-N 2.72Å; S54-C58 WeakPolarHBondContact O-CB 3.44Å; S54-C58 PolarHBondContact O-N 3.38Å |
| 55 | F | 91 | Very high | 89.5 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.3 | -175.1 | -117.8 | 0 | 0 | 0 | 111.9 | C15 I18 R19 L51 Q52 T53 C58 K59 | C15-F55 HydrophobicContact CB-CE2 4.43Å; I18-F55 HydrophobicContact CB-CD2 4.34Å; I18-F55 HydrophobicContact CG2-CB 3.64Å; I18-F55 HydrophobicContact CG2-CD2 3.94Å; I18-F55 HydrophobicContact CG2-CG 4.28Å; R19-F55 HydrophobicContact CB-CD2 4.46Å; R19-F55 HydrophobicContact CB-CE2 3.88Å; R19-F55 HydrophobicContact CG-CE2 4.22Å; R19-F55 HydrophobicContact CG-CZ 4.45Å; L51-F55 VanDerWaalsContact O-CB 3.27Å; L51-F55 WeakPolarHBondContact O-CB 3.04Å; L51-F55 PolarHBondContact O-N 3.23Å; Q52-F55 PolarHBondContact O-N 3.43Å; T53-F55 VanDerWaalsContact C-N 3.34Å; T53-F55 PolarHBondContact O-N 3.48Å; F55-C58 PolarHBondContact O-N 2.88Å; F55-K59 HydrophobicContact CE1-CD 4.01Å; F55-K59 HydrophobicContact CZ-CD 4.04Å; F55-K59 PolarHBondContact O-N 3.3Å; F55-K59 VanDerWaalsContact O-N 3.08Å |
| 56 | F | 91.3 | Very high | 89.3 | Confident | 131 Ų | 131 | 77.2 Ų | 77.2 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.7 | -45.3 | 175.5 | 177.3 | -100.4 | 0 | 0 | 0 | 111.6 | Q52 T53 S54 C58 K59 R60 | Q52-F56 WeakPolarHBondContact O-CB 3.4Å; Q52-F56 PolarHBondContact O-N 2.99Å; T53-F56 WeakPolarHBondContact O-CB 3.48Å; T53-F56 PolarHBondContact O-N 3.49Å; S54-F56 VanDerWaalsContact C-N 3.34Å; S54-F56 PolarHBondContact O-N 3.4Å; F56-C58 VanDerWaalsContact C-N 3.34Å; F56-C58 PolarHBondContact O-N 3.22Å; F56-K59 PolarHBondContact O-N 3.29Å; F56-R60 VanDerWaalsContact O-CB 3.28Å; F56-R60 WeakPolarHBondContact O-CB 3.43Å; F56-R60 PolarHBondContact O-N 3.33Å |
| 57 | E | 91.1 | Very high | 89.1 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.1 | -75.1 | -174.7 | 178.2 | 0 | 0 | 112.3 | T53 S54 R60 S61 | T53-E57 HydrophobicContact CG2-CG 4.41Å; T53-E57 WeakPolarHBondContact O-CB 3.15Å; T53-E57 WeakPolarHBondContact O-CG 3.29Å; T53-E57 PolarHBondContact O-N 3.01Å; S54-E57 PolarHBondContact O-N 2.72Å; E57-R60 PolarHBondContact O-N 3.38Å; E57-S61 WeakPolarHBondContact O-CB 3.07Å; E57-S61 PolarHBondContact O-N 3.21Å |
| 58 | C | 91.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 84.3 Ų | 84.3 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 176.4 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | C15 I18 S54 F55 F56 R60 S61 M62 K73 | C15-C58 HydrophobicContact CB-CB 3.83Å; C15-C58 WeakPolarHBondContact CB-SG 3.02Å; C15-C58 WeakPolarHBondContact SG-CB 3.32Å; C15-C58 CovalentContact SG-SG 2.02Å; C15-C58 PolarHBondContact SG-SG 3.31Å; I18-C58 HydrophobicContact CD1-CB 3.6Å; S54-C58 WeakPolarHBondContact O-CB 3.44Å; S54-C58 PolarHBondContact O-N 3.38Å; F55-C58 PolarHBondContact O-N 2.88Å; F56-C58 VanDerWaalsContact C-N 3.34Å; F56-C58 PolarHBondContact O-N 3.22Å; C58-R60 VanDerWaalsContact C-N 3.31Å; C58-R60 PolarHBondContact O-N 3.47Å; C58-S61 PolarHBondContact O-N 2.88Å; C58-S61 PolarHBondContact O-OG 3.23Å; C58-M62 PolarHBondContact O-N 2.81Å; C58-K73 WeakPolarHBondContact CA-O 3.47Å; C58-K73 WeakPolarHBondContact CB-O 3.39Å; C58-K73 PolarHBondContact SG-O 3.28Å |
| 59 | K | 89.8 | Confident | 88.2 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 45% | 0.452 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 174.3 | -78.4 | -170.7 | 167.7 | -177.9 | 0 | 112.9 | F55 F56 S61 M62 | F55-K59 HydrophobicContact CE1-CD 4.01Å; F55-K59 HydrophobicContact CZ-CD 4.04Å; F55-K59 PolarHBondContact O-N 3.3Å; F55-K59 VanDerWaalsContact O-N 3.08Å; F56-K59 PolarHBondContact O-N 3.29Å; K59-S61 VanDerWaalsContact C-N 3.34Å; K59-M62 HydrophobicContact CB-CE 4.44Å; K59-M62 HydrophobicContact CG-CE 4.04Å; K59-M62 WeakPolarHBondContact O-CB 3.49Å; K59-M62 PolarHBondContact O-N 3.13Å |
| 60 | R | 90.6 | Very high | 87.8 | Confident | 154 Ų | 154 | 96.3 Ų | 96.3 | 58% | 0.581 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 178 | -165.9 | 178.2 | 103.7 | 149.9 | 4.4 | 111.4 | F56 E57 C58 M62 L63 D64 | F56-R60 VanDerWaalsContact O-CB 3.28Å; F56-R60 WeakPolarHBondContact O-CB 3.43Å; F56-R60 PolarHBondContact O-N 3.33Å; E57-R60 PolarHBondContact O-N 3.38Å; C58-R60 VanDerWaalsContact C-N 3.31Å; C58-R60 PolarHBondContact O-N 3.47Å; R60-M62 PolarHBondContact O-N 3.35Å; R60-L63 PolarHBondContact O-N 3.25Å; R60-L63 VanDerWaalsContact O-N 3.13Å; R60-D64 WeakPolarHBondContact O-CB 3.37Å; R60-D64 PolarHBondContact O-N 2.89Å |
| 61 | S | 88.8 | Confident | 87.2 | Confident | 8 Ų | 8 | 94.3 Ų | 94.3 | 6% | 0.056 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.8 | -33.9 | 176.5 | 77.8 | 0 | 0 | 0 | 0 | 111.8 | E57 C58 K59 L63 D64 S67 K73 | E57-S61 WeakPolarHBondContact O-CB 3.07Å; E57-S61 PolarHBondContact O-N 3.21Å; C58-S61 PolarHBondContact O-N 2.88Å; C58-S61 PolarHBondContact O-OG 3.23Å; K59-S61 VanDerWaalsContact C-N 3.34Å; S61-L63 PolarHBondContact O-N 2.83Å; S61-D64 PolarHBondContact O-N 2.84Å; S61-S67 PolarHBondContact O-OG 2.95Å; S61-K73 PolarHBondContact OG-N 2.96Å |
| 62 | M | 86.1 | Confident | 86.3 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 42% | 0.419 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -31.2 | 175.8 | -64 | -159.6 | -77 | 0 | 0 | 114.1 | A14 C58 K59 R60 | A14-M62 HydrophobicContact CB-CE 4.19Å; A14-M62 HydrophobicContact CB-CG 4.44Å; A14-M62 HydrophobicContact CB-SD 3.18Å; A14-M62 WeakPolarHBondContact CB-SD 3.24Å; C58-M62 PolarHBondContact O-N 2.81Å; K59-M62 HydrophobicContact CB-CE 4.44Å; K59-M62 HydrophobicContact CG-CE 4.04Å; K59-M62 WeakPolarHBondContact O-CB 3.49Å; K59-M62 PolarHBondContact O-N 3.13Å; R60-M62 PolarHBondContact O-N 3.35Å |
| 63 | L | 87.3 | Confident | 85.4 | Confident | 149 Ų | 149 | 102.7 Ų | 102.7 | 78% | 0.78 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -91.5 | -22.8 | 178.3 | -59.5 | 176.2 | 0 | 0 | 0 | 112.3 | R60 S61 N65 | R60-L63 PolarHBondContact O-N 3.25Å; R60-L63 VanDerWaalsContact O-N 3.13Å; S61-L63 PolarHBondContact O-N 2.83Å; L63-N65 PolarHBondContact O-N 2.73Å |
| 64 | D | 87.1 | Confident | 84.2 | Confident | 57 Ų | 57 | 101.1 Ų | 101.1 | 31% | 0.305 | 46% | 0.462 | S | S | . | . | trans | -80.6 | 104.4 | -179.1 | -174.7 | 2.1 | 0 | 0 | 0 | 111.6 | R60 S61 R66 S67 | R60-D64 WeakPolarHBondContact O-CB 3.37Å; R60-D64 PolarHBondContact O-N 2.89Å; S61-D64 PolarHBondContact O-N 2.84Å; D64-R66 PolarHBondContact O-N 3.22Å; D64-R66 VanDerWaalsContact OD1-CB 3.3Å; D64-R66 WeakPolarHBondContact OD1-CB 3.49Å; D64-R66 WeakPolarHBondContact OD1-CG 3.42Å; D64-R66 PolarHBondContact OD1-N 2.69Å; D64-S67 PolarHBondContact O-N 3.05Å; D64-S67 PolarHBondContact O-OG 3.21Å | ||
| 65 | N | 85.2 | Confident | 82.7 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 57% | 0.572 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -55.9 | -24.1 | 177.2 | -68 | -40.4 | 0 | 0 | 0 | 113.8 | L63 S67 R68 | L63-N65 PolarHBondContact O-N 2.73Å; N65-S67 VanDerWaalsContact C-N 3.25Å; N65-S67 PolarHBondContact O-N 3.21Å; N65-R68 WeakPolarHBondContact O-CB 3.28Å; N65-R68 PolarHBondContact O-N 3.06Å; N65-R68 PolarHBondContact OD1-NE 3.37Å |
| 66 | R | 84.4 | Confident | 82.3 | Confident | 191 Ų | 191 | 111 Ų | 111 | 72% | 0.721 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -70.6 | -22.7 | 177.5 | -62.1 | 175.7 | 173.5 | -174.8 | -1.1 | 113.1 | D64 R70 | D64-R66 PolarHBondContact O-N 3.22Å; D64-R66 VanDerWaalsContact OD1-CB 3.3Å; D64-R66 WeakPolarHBondContact OD1-CB 3.49Å; D64-R66 WeakPolarHBondContact OD1-CG 3.42Å; D64-R66 PolarHBondContact OD1-N 2.69Å; R66-R70 PolarHBondContact O-NH1 3.35Å |
| 67 | S | 81.3 | Confident | 81.8 | Confident | 14 Ų | 14 | 109.9 Ų | 109.9 | 10% | 0.098 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -87.5 | -10.3 | 179.5 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | S61 D64 N65 F69 R70 G71 | S61-S67 PolarHBondContact O-OG 2.95Å; D64-S67 PolarHBondContact O-N 3.05Å; D64-S67 PolarHBondContact O-OG 3.21Å; N65-S67 VanDerWaalsContact C-N 3.25Å; N65-S67 PolarHBondContact O-N 3.21Å; S67-F69 VanDerWaalsContact C-N 3.26Å; S67-F69 PolarHBondContact O-N 3.41Å; S67-R70 PolarHBondContact O-N 2.97Å; S67-G71 CarbonylContact O-C 3.51Å; S67-G71 PolarHBondContact O-N 3.27Å |
| 68 | R | 79.4 | Confident | 81.3 | Confident | 196 Ų | 196 | 111.3 Ų | 111.3 | 74% | 0.74 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -42.1 | 175.6 | -74.5 | 180 | 164.2 | -152.8 | -5.2 | 113.2 | N65 | N65-R68 WeakPolarHBondContact O-CB 3.28Å; N65-R68 PolarHBondContact O-N 3.06Å; N65-R68 PolarHBondContact OD1-NE 3.37Å |
| 69 | F | 80.4 | Confident | 80.7 | Confident | 194 Ų | 194 | 117.8 Ų | 117.8 | 85% | 0.851 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -23.6 | 179.7 | -60 | -73.7 | 0 | 0 | 0 | 113.5 | S67 | S67-F69 VanDerWaalsContact C-N 3.26Å; S67-F69 PolarHBondContact O-N 3.41Å |
| 70 | R | 81.9 | Confident | 80.2 | Confident | 211 Ų | 211 | 118.6 Ų | 118.6 | 80% | 0.796 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -11.1 | -175.6 | -66.1 | -174.4 | 174.1 | 92.5 | -2.7 | 113.4 | R66 S67 | R66-R70 PolarHBondContact O-NH1 3.35Å; S67-R70 PolarHBondContact O-N 2.97Å |
| 71 | G | 77.8 | Confident | 79.5 | Confident | 40 Ų | 40 | 116.3 Ų | 116.3 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | trans | 87.7 | 164.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S67 | S67-G71 CarbonylContact O-C 3.51Å; S67-G71 PolarHBondContact O-N 3.27Å | ||
| 72 | R | 74.3 | Confident | 78.8 | Confident | 158 Ų | 158 | 124 Ų | 124 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | trans | -68.1 | 147.5 | 177.9 | -68.7 | 178.1 | 179 | 166.8 | -1.4 | 110 | ||||
| 73 | K | 72.1 | Confident | 78.3 | Confident | 131 Ų | 131 | 127 Ų | 127 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -87.4 | 125 | 172.2 | -72.2 | -153.3 | 171.9 | -164.5 | 0 | 108.7 | C58 S61 | C58-K73 WeakPolarHBondContact CA-O 3.47Å; C58-K73 WeakPolarHBondContact CB-O 3.39Å; C58-K73 PolarHBondContact SG-O 3.28Å; S61-K73 PolarHBondContact OG-N 2.96Å |
| 74 | G | 66.6 | Low | 77.5 | Confident | 39 Ų | 39 | 125.2 Ų | 125.2 | 40% | 0.402 | 56% | 0.559 | S | S | . | * | trans | 87.9 | 151 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 75 | Y | 59.5 | Low | 76.6 | Confident | 164 Ų | 164 | 131.4 Ų | 131.4 | 64% | 0.643 | 58% | 0.582 | S | S | * | * | trans | -61.1 | 0 | -170 | 37.8 | -78.2 | 0 | 0 | 0 | 113.5 | I18 D21 | I18-Y75 VanDerWaalsContact CA-CE2 3.45Å; I18-Y75 VanDerWaalsContact CA-CZ 3.46Å; I18-Y75 VanDerWaalsContact CA-OH 3.25Å; I18-Y75 WeakPolarHBondContact CA-OH 3.3Å; I18-Y75 HydrophobicContact CB-CE1 4.33Å; I18-Y75 HydrophobicContact CB-CE2 4.07Å; I18-Y75 HydrophobicContact CD1-CD1 4.15Å; I18-Y75 HydrophobicContact CD1-CE1 3.94Å; I18-Y75 HydrophobicContact CG1-CD1 3.69Å; I18-Y75 HydrophobicContact CG1-CD2 3.87Å; I18-Y75 HydrophobicContact CG1-CE1 3.16Å; I18-Y75 HydrophobicContact CG1-CE2 3.48Å; I18-Y75 VanDerWaalsContact CG1-CE2 3.48Å; I18-Y75 HydrophobicContact CG1-CG 3.99Å; I18-Y75 WeakPolarHBondContact CG1-OH 3.47Å; D21-Y75 VanDerWaalsContact OD2-CE2 3.29Å; D21-Y75 WeakPolarHBondContact OD2-CE2 3.43Å; D21-Y75 PolarHBondContact OD2-OH 3.33Å |
Retrieved 75 of 75 residues in 454.7 ms
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