| 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 | 61.3 | Low | 62.4 | Low | 235 Ų | 235 | 158.9 Ų | 158.9 | 100% | 1.158 | 78% | 0.776 | S | S | * | * | 0 | 133.6 | 0 | -121.2 | 144.9 | 75.5 | 0 | 0 | 107.8 | |||||
| 2 | P | 63.2 | Low | 63.7 | Low | 107 Ų | 107 | 150.6 Ų | 150.6 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -64.7 | 138.2 | -174.1 | -18.4 | 30.9 | 0 | 0 | 0 | 112.4 | Y4 | P2-Y4 PolarHBondContact O-N 2.77Š| ||
| 3 | K | 58.7 | Low | 65 | Low | 167 Ų | 167 | 141.8 Ų | 141.8 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -60.5 | 2.6 | 178.8 | -92 | -169.6 | 166.3 | -174.4 | 0 | 116.2 | Y5 E6 | K3-Y5 PolarHBondContact O-N 2.81Å; K3-E6 PolarHBondContact O-N 3.46Å |
| 4 | Y | 65.2 | Low | 66.7 | Low | 216 Ų | 216 | 132.6 Ų | 132.6 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -69.8 | -5.5 | -171.9 | -160.6 | -96.5 | 0 | 0 | 0 | 114.3 | P2 | P2-Y4 PolarHBondContact O-N 2.77Š|
| 5 | Y | 66.1 | Low | 68.2 | Low | 211 Ų | 211 | 125.3 Ų | 125.3 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -104.9 | -4 | -175.7 | -83.5 | -87.8 | 0 | 0 | 0 | 114.7 | K3 | K3-Y5 PolarHBondContact O-N 2.81Š|
| 6 | E | 64.7 | Low | 69.5 | Low | 148 Ų | 148 | 119.1 Ų | 119.1 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -86.1 | -15.8 | -170.8 | -59.7 | -166.3 | 130.2 | 0 | 0 | 114.1 | K3 | K3-E6 PolarHBondContact O-N 3.46Š|
| 7 | D | 63.1 | Low | 70.7 | Confident | 152 Ų | 152 | 112.8 Ų | 112.8 | 81% | 0.813 | 59% | 0.592 | S | S | * | * | trans | -110.1 | 32.7 | -172.2 | -61.6 | -61.6 | 0 | 0 | 0 | 114.1 | P9 | D7-P9 VanDerWaalsContact O-CD 3.25Å; D7-P9 WeakPolarHBondContact O-CD 3.28Å | ||
| 8 | K | 58.5 | Low | 71.8 | Confident | 170 Ų | 170 | 114.4 Ų | 114.4 | 74% | 0.739 | 59% | 0.593 | S | S | * | * | trans | -78.7 | 115.8 | 169.8 | -164.2 | 170.7 | -173.2 | 152.4 | 0 | 107.5 | E10 | K8-E10 PolarHBondContact O-N 3.03Š| ||
| 9 | P | 60.5 | Low | 72.9 | Confident | 110 Ų | 110 | 114.7 Ų | 114.7 | 71% | 0.714 | 59% | 0.591 | S | S | * | * | trans | -57.4 | 121.2 | 171.9 | 23.6 | -31.6 | 0 | 0 | 0 | 107.8 | D7 G11 | D7-P9 VanDerWaalsContact O-CD 3.25Å; D7-P9 WeakPolarHBondContact O-CD 3.28Å; P9-G11 PolarHBondContact O-N 3.36Å | ||
| 10 | E | 59.9 | Low | 73.9 | Confident | 189 Ų | 189 | 112.1 Ų | 112.1 | 88% | 0.883 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -69.2 | 68.5 | -178.3 | -70.2 | -70.4 | 161 | 0 | 0 | 109.5 | K8 | K8-E10 PolarHBondContact O-N 3.03Š|
| 11 | G | 65.1 | Low | 74.8 | Confident | 43 Ų | 43 | 107.6 Ų | 107.6 | 44% | 0.443 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -175.8 | 130.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | P9 | P9-G11 PolarHBondContact O-N 3.36Š|
| 12 | G | 77.8 | Confident | 76.3 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | trans | -64.9 | 168.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C14 A15 | G12-C14 PolarHBondContact O-N 3.23Å; G12-A15 WeakPolarHBondContact O-CB 3.37Å; G12-A15 PolarHBondContact O-N 3.33Å | ||
| 13 | A | 81.1 | Confident | 77.7 | Confident | 36 Ų | 36 | 98 Ų | 98 | 30% | 0.298 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44 | -27 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | M61 R71 | A13-M61 HydrophobicContact CB-CE 4.04Å; A13-M61 HydrophobicContact CB-CG 4.24Å; A13-M61 HydrophobicContact CB-SD 3.18Å; A13-M61 WeakPolarHBondContact CB-SD 3.23Å; A13-R71 VanDerWaalsContact CB-CZ 3.45Å |
| 14 | C | 88.6 | Confident | 79.4 | Confident | 13 Ų | 13 | 91.9 Ų | 91.9 | 9% | 0.088 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 25.5 | -177.7 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | G12 K18 F54 C57 | G12-C14 PolarHBondContact O-N 3.23Å; C14-K18 PolarHBondContact O-N 3.22Å; C14-F54 HydrophobicContact CB-CD2 4.23Å; C14-F54 HydrophobicContact CB-CE2 4.08Å; C14-C57 VanDerWaalsContact CA-SG 3.58Å; C14-C57 HydrophobicContact CB-CB 3.93Å; C14-C57 WeakPolarHBondContact CB-SG 3.47Å; C14-C57 WeakPolarHBondContact SG-CB 3.38Å; C14-C57 CovalentContact SG-SG 2.04Å; C14-C57 PolarHBondContact SG-SG 3.34Å |
| 15 | A | 88.8 | Confident | 80.7 | Confident | 24 Ų | 24 | 82.1 Ų | 82.1 | 20% | 0.198 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G12 L17 K18 E19 | G12-A15 WeakPolarHBondContact O-CB 3.37Å; G12-A15 PolarHBondContact O-N 3.33Å; A15-L17 PolarHBondContact O-N 3.17Å; A15-K18 WeakPolarHBondContact O-CA 3.36Å; A15-K18 VanDerWaalsContact O-CB 3.28Å; A15-K18 WeakPolarHBondContact O-CB 3.42Å; A15-K18 PolarHBondContact O-N 2.99Å; A15-E19 PolarHBondContact O-N 2.91Å |
| 16 | G | 89.3 | Confident | 81.9 | Confident | 26 Ų | 26 | 77.5 Ų | 77.5 | 27% | 0.268 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K18 E19 D20 | G16-K18 PolarHBondContact O-N 3.5Å; G16-K18 VanDerWaalsContact O-N 3.12Å; G16-E19 WeakPolarHBondContact O-CB 3.4Å; G16-E19 PolarHBondContact O-N 3.36Å; G16-D20 VanDerWaalsContact O-CG 3.3Å; G16-D20 PolarHBondContact O-N 2.96Å |
| 17 | L | 90.9 | Very high | 83.2 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.9 | -26.9 | 175.4 | -69.8 | 171.4 | 0 | 0 | 0 | 113.6 | A15 L21 A53 F54 C57 | A15-L17 PolarHBondContact O-N 3.17Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 PolarHBondContact O-N 3.2Å; L17-L21 VanDerWaalsContact O-N 3.16Å; L17-A53 HydrophobicContact CD1-CB 4.47Å; L17-A53 HydrophobicContact CD2-CB 3.92Å; L17-F54 HydrophobicContact CB-CB 4.35Å; L17-F54 HydrophobicContact CB-CD2 4.08Å; L17-C57 HydrophobicContact CD1-CB 3.5Å |
| 18 | K | 90.4 | Very high | 84.5 | Confident | 142 Ų | 142 | 71 Ų | 71 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.7 | -38.9 | 175.4 | -175 | -174.4 | 169.5 | -164.4 | 0 | 111.1 | C14 A15 G16 G22 F54 | C14-K18 PolarHBondContact O-N 3.22Å; A15-K18 WeakPolarHBondContact O-CA 3.36Å; A15-K18 VanDerWaalsContact O-CB 3.28Å; A15-K18 WeakPolarHBondContact O-CB 3.42Å; A15-K18 PolarHBondContact O-N 2.99Å; G16-K18 PolarHBondContact O-N 3.5Å; G16-K18 VanDerWaalsContact O-N 3.12Å; K18-G22 PolarHBondContact O-N 2.87Å; K18-F54 HydrophobicContact CB-CD2 4.3Å; K18-F54 HydrophobicContact CB-CE2 3.86Å; K18-F54 HydrophobicContact CG-CE2 4.4Å |
| 19 | E | 92.7 | Very high | 86 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 56% | 0.556 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.8 | -52.3 | 175.1 | -71.4 | 169 | -178 | 0 | 0 | 110 | A15 G16 L21 G22 E23 | A15-E19 PolarHBondContact O-N 2.91Å; G16-E19 WeakPolarHBondContact O-CB 3.4Å; G16-E19 PolarHBondContact O-N 3.36Å; E19-L21 VanDerWaalsContact C-N 3.29Å; E19-L21 PolarHBondContact O-N 3.46Å; E19-G22 CarbonylContact O-C 3.58Å; E19-G22 WeakPolarHBondContact O-CA 3.08Å; E19-G22 PolarHBondContact O-N 3.27Å; E19-E23 PolarHBondContact O-N 2.71Å |
| 20 | D | 92.6 | Very high | 87.5 | Confident | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.3 | -44.2 | 176.9 | -63.1 | -21.8 | 0 | 0 | 0 | 111.9 | G16 G22 E23 C24 L50 | G16-D20 VanDerWaalsContact O-CG 3.3Å; G16-D20 PolarHBondContact O-N 2.96Å; D20-G22 VanDerWaalsContact C-N 3.31Å; D20-G22 PolarHBondContact O-N 2.98Å; D20-E23 PolarHBondContact O-N 2.99Å; D20-C24 VanDerWaalsContact O-CB 3.28Å; D20-C24 WeakPolarHBondContact O-CB 3.38Å; D20-C24 PolarHBondContact O-N 2.03Å; D20-L50 HydrophobicContact CB-CD1 4.22Å; D20-L50 HydrophobicContact CB-CD2 3.94Å |
| 21 | L | 92.8 | Very high | 89 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 177.4 | -177.7 | 64.6 | 0 | 0 | 0 | 111.6 | L17 E19 L25 L42 C47 L50 K51 | L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 PolarHBondContact O-N 3.2Å; L17-L21 VanDerWaalsContact O-N 3.16Å; E19-L21 VanDerWaalsContact C-N 3.29Å; E19-L21 PolarHBondContact O-N 3.46Å; L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 2.92Å; L21-L25 PolarHBondContact O-N 3.49Å; L21-L25 VanDerWaalsContact O-N 3.12Å; L21-L42 HydrophobicContact CD1-CD1 4.15Å; L21-L42 HydrophobicContact CD2-CD1 4.28Å; L21-C47 HydrophobicContact CD1-CB 3.81Å; L21-L50 HydrophobicContact CB-CB 4.37Å; L21-L50 HydrophobicContact CD1-CB 3.83Å; L21-K51 HydrophobicContact CD1-CB 4.32Å |
| 22 | G | 91.9 | Very high | 90.3 | Very high | 29 Ų | 29 | 57 Ų | 57 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -49.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K18 E19 D20 C24 L25 L26 | K18-G22 PolarHBondContact O-N 2.87Å; E19-G22 CarbonylContact O-C 3.58Å; E19-G22 WeakPolarHBondContact O-CA 3.08Å; E19-G22 PolarHBondContact O-N 3.27Å; D20-G22 VanDerWaalsContact C-N 3.31Å; D20-G22 PolarHBondContact O-N 2.98Å; G22-C24 PolarHBondContact O-N 3.16Å; G22-L25 PolarHBondContact O-N 3.44Å; G22-L26 VanDerWaalsContact O-CG 3.32Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 3.48Å |
| 23 | E | 93.4 | Very high | 90.8 | Very high | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.3 | -69.2 | -176.4 | -178 | 0 | 0 | 111.7 | E19 D20 L25 L26 Q27 | E19-E23 PolarHBondContact O-N 2.71Å; D20-E23 PolarHBondContact O-N 2.99Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.11Å; E23-L26 PolarHBondContact O-N 2.62Å; E23-Q27 WeakPolarHBondContact O-CG 2.98Å; E23-Q27 PolarHBondContact O-N 3.48Å |
| 24 | C | 94.7 | Very high | 91.2 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 177.3 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | D20 G22 Q27 S28 C47 L50 | D20-C24 VanDerWaalsContact O-CB 3.28Å; D20-C24 WeakPolarHBondContact O-CB 3.38Å; D20-C24 PolarHBondContact O-N 2.03Å; G22-C24 PolarHBondContact O-N 3.16Å; C24-Q27 PolarHBondContact O-N 2.85Å; C24-S28 WeakPolarHBondContact O-CB 3.01Å; C24-S28 PolarHBondContact O-N 3.11Å; C24-C47 HydrophobicContact CB-CB 3.92Å; C24-C47 WeakPolarHBondContact CB-SG 3.2Å; C24-C47 PolarHBondContact O-SG 2.86Å; C24-C47 WeakPolarHBondContact SG-CB 3.21Å; C24-C47 CovalentContact SG-SG 2.03Å; C24-C47 PolarHBondContact SG-SG 3.33Å; C24-L50 HydrophobicContact CB-CD1 3.57Å |
| 25 | L | 92.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 177.7 | -72.6 | 169.9 | 0 | 0 | 0 | 111.8 | L21 G22 E23 Q27 S28 V31 P38 C41 L42 H46 | L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 2.92Å; L21-L25 PolarHBondContact O-N 3.49Å; L21-L25 VanDerWaalsContact O-N 3.12Å; G22-L25 PolarHBondContact O-N 3.44Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.11Å; L25-Q27 VanDerWaalsContact C-N 3.29Å; L25-Q27 PolarHBondContact O-N 3.04Å; L25-S28 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-OG 3.09Å; L25-V31 WeakPolarHBondContact O-CB 3.41Å; L25-V31 WeakPolarHBondContact O-CG2 3.49Å; L25-P38 HydrophobicContact CB-CB 4.23Å; L25-P38 HydrophobicContact CD1-CB 4.22Å; L25-C41 HydrophobicContact CD2-CB 4.02Å; L25-L42 HydrophobicContact CD1-CB 4.33Å; L25-L42 HydrophobicContact CD1-CD1 4.31Å; L25-L42 HydrophobicContact CD2-CB 4.36Å; L25-H46 HydrophobicContact CD2-CB 4.28Å |
| 26 | L | 91 | Very high | 91.3 | Very high | 113 Ų | 113 | 68.3 Ų | 68.3 | 59% | 0.592 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.3 | -32.8 | 178.4 | -71.2 | 171.7 | 0 | 0 | 0 | 112.7 | G22 E23 V32 | G22-L26 VanDerWaalsContact O-CG 3.32Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 3.48Å; E23-L26 PolarHBondContact O-N 2.62Å; L26-V32 VanDerWaalsContact O-CG2 3.28Å; L26-V32 WeakPolarHBondContact O-CG2 3.39Å |
| 27 | Q | 91.5 | Very high | 91.4 | Very high | 147 Ų | 147 | 70 Ų | 70 | 69% | 0.687 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -84.6 | -15.8 | 175.9 | -67.2 | 176.7 | 5.6 | 0 | 0 | 113.3 | E23 C24 L25 | E23-Q27 WeakPolarHBondContact O-CG 2.98Å; E23-Q27 PolarHBondContact O-N 3.48Å; C24-Q27 PolarHBondContact O-N 2.85Å; L25-Q27 VanDerWaalsContact C-N 3.29Å; L25-Q27 PolarHBondContact O-N 3.04Å |
| 28 | S | 91.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 72 Ų | 72 | 11% | 0.112 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -67.2 | 144.4 | -176.8 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | C24 L25 C30 V31 V32 | C24-S28 WeakPolarHBondContact O-CB 3.01Å; C24-S28 PolarHBondContact O-N 3.11Å; L25-S28 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-OG 3.09Å; S28-C30 PolarHBondContact O-N 3.02Å; S28-C30 VanDerWaalsContact O-N 3.11Å; S28-V31 PolarHBondContact O-N 3.03Å; S28-V32 PolarHBondContact O-N 3.16Å |
| 29 | D | 90.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 75.2 Ų | 75.2 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.8 | -29.7 | 178.3 | -63.7 | -41.9 | 0 | 0 | 0 | 113 | V31 V32 Q33 E34 | D29-V31 VanDerWaalsContact C-N 3.29Å; D29-V31 PolarHBondContact O-N 2.03Å; D29-V32 PolarHBondContact O-N 3.12Å; D29-Q33 HydrophobicContact CB-CG 4.03Å; D29-Q33 VanDerWaalsContact CG-NE2 3.26Å; D29-Q33 WeakPolarHBondContact O-CA 3.35Å; D29-Q33 VanDerWaalsContact O-CB 3.23Å; D29-Q33 WeakPolarHBondContact O-CB 3.45Å; D29-Q33 PolarHBondContact O-N 3.09Å; D29-Q33 PolarHBondContact OD1-NE2 2.88Å; D29-E34 PolarHBondContact O-N 3.48Å |
| 30 | C | 91.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 113 | S28 E34 K36 C41 E44 H46 | S28-C30 PolarHBondContact O-N 3.02Å; S28-C30 VanDerWaalsContact O-N 3.11Å; C30-E34 WeakPolarHBondContact O-CB 3.37Å; C30-K36 WeakPolarHBondContact O-CB 3.04Å; C30-K36 PolarHBondContact O-N 2.95Å; C30-K36 VanDerWaalsContact O-N 3.16Å; C30-K36 VanDerWaalsContact SG-CD 3.59Å; C30-C41 HydrophobicContact CB-CB 3.73Å; C30-C41 WeakPolarHBondContact CB-SG 3.45Å; C30-C41 WeakPolarHBondContact SG-CA 3.02Å; C30-C41 WeakPolarHBondContact SG-CB 3.28Å; C30-C41 CovalentContact SG-SG 2.03Å; C30-C41 PolarHBondContact SG-SG 3.47Å; C30-E44 PolarHBondContact SG-OE2 2.93Å; C30-H46 VanDerWaalsContact CB-CD2 3.49Å; C30-H46 WeakPolarHBondContact CB-CD2 3.36Å; C30-H46 WeakPolarHBondContact CB-NE2 3.42Å |
| 31 | V | 91.8 | Very high | 91 | Very high | 29 Ų | 29 | 70.7 Ų | 70.7 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -86.5 | -43.4 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | L25 S28 D29 G35 P38 C41 | L25-V31 WeakPolarHBondContact O-CB 3.41Å; L25-V31 WeakPolarHBondContact O-CG2 3.49Å; S28-V31 PolarHBondContact O-N 3.03Å; D29-V31 VanDerWaalsContact C-N 3.29Å; D29-V31 PolarHBondContact O-N 2.03Å; V31-G35 WeakPolarHBondContact O-CA 3.46Å; V31-G35 PolarHBondContact O-N 3.26Å; V31-P38 HydrophobicContact CG2-CB 4.43Å; V31-P38 HydrophobicContact CG2-CG 4.13Å; V31-C41 HydrophobicContact CG2-CB 4.34Å; V31-C41 VanDerWaalsContact CG2-SG 3.53Å |
| 32 | V | 91.6 | Very high | 90.9 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -76 | -46.5 | -172.6 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | L26 S28 D29 | L26-V32 VanDerWaalsContact O-CG2 3.28Å; L26-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 3.16Å; D29-V32 PolarHBondContact O-N 3.12Å |
| 33 | Q | 89.6 | Confident | 90.7 | Very high | 141 Ų | 141 | 79.5 Ų | 79.5 | 66% | 0.659 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -45.6 | -174.8 | -53.2 | -174.5 | 11.4 | 0 | 0 | 111.8 | D29 | D29-Q33 HydrophobicContact CB-CG 4.03Å; D29-Q33 VanDerWaalsContact CG-NE2 3.26Å; D29-Q33 WeakPolarHBondContact O-CA 3.35Å; D29-Q33 VanDerWaalsContact O-CB 3.23Å; D29-Q33 WeakPolarHBondContact O-CB 3.45Å; D29-Q33 PolarHBondContact O-N 3.09Å; D29-Q33 PolarHBondContact OD1-NE2 2.88Å |
| 34 | E | 88.4 | Confident | 90.5 | Very high | 111 Ų | 111 | 78.4 Ų | 78.4 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.7 | -175.6 | -54.4 | -175.3 | -150.6 | 0 | 0 | 113.1 | D29 C30 K36 | D29-E34 PolarHBondContact O-N 3.48Å; C30-E34 WeakPolarHBondContact O-CB 3.37Å; E34-K36 HydrophobicContact CB-CD 4.12Å; E34-K36 HydrophobicContact CB-CG 4.07Å; E34-K36 PolarHBondContact O-N 3.07Å; E34-K36 WeakPolarHBondContact OE2-CD 3.28Å; E34-K36 WeakPolarHBondContact OE2-CE 3.33Å; E34-K36 IonicContact OE2-NZ 2.95Å; E34-K36 PolarHBondContact OE2-NZ 3.43Å |
| 35 | G | 89.3 | Confident | 90.2 | Very high | 66 Ų | 66 | 78.1 Ų | 78.1 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | trans | 64.3 | 17.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V31 | V31-G35 WeakPolarHBondContact O-CA 3.46Å; V31-G35 PolarHBondContact O-N 3.26Å | ||
| 36 | K | 90.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 80.7 Ų | 80.7 | 23% | 0.226 | 42% | 0.42 | C | S | . | . | trans | -74.5 | 155.6 | -179.6 | -70.9 | 171.5 | 171.6 | 170.4 | 0 | 110.7 | C30 E34 Q40 E44 | C30-K36 WeakPolarHBondContact O-CB 3.04Å; C30-K36 PolarHBondContact O-N 2.95Å; C30-K36 VanDerWaalsContact O-N 3.16Å; C30-K36 VanDerWaalsContact SG-CD 3.59Å; E34-K36 HydrophobicContact CB-CD 4.12Å; E34-K36 HydrophobicContact CB-CG 4.07Å; E34-K36 PolarHBondContact O-N 3.07Å; E34-K36 WeakPolarHBondContact OE2-CD 3.28Å; E34-K36 WeakPolarHBondContact OE2-CE 3.33Å; E34-K36 IonicContact OE2-NZ 2.95Å; E34-K36 PolarHBondContact OE2-NZ 3.43Å; K36-Q40 HydrophobicContact CB-CB 4.49Å; K36-Q40 HydrophobicContact CD-CG 4.35Å; K36-E44 WeakPolarHBondContact CE-OE1 3.32Å; K36-E44 IonicContact NZ-OE1 2.62Å; K36-E44 PolarHBondContact NZ-OE1 3.3Å; K36-E44 IonicContact NZ-OE2 2.82Å; K36-E44 PolarHBondContact NZ-OE2 3.18Å | ||
| 37 | S | 90.5 | Very high | 90.2 | Very high | 62 Ų | 62 | 76.4 Ų | 76.4 | 43% | 0.434 | 40% | 0.399 | S | S | . | . | trans | -66.3 | 144.7 | 174.1 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | R39 Q40 C41 | S37-R39 PolarHBondContact O-N 2.82Å; S37-Q40 WeakPolarHBondContact O-CA 3.43Å; S37-Q40 WeakPolarHBondContact O-CB 3.39Å; S37-Q40 PolarHBondContact O-N 2.94Å; S37-Q40 WeakPolarHBondContact OG-CB 3.47Å; S37-Q40 PolarHBondContact OG-N 3.32Å; S37-C41 PolarHBondContact O-N 3.27Å; S37-C41 VanDerWaalsContact O-N 3.09Å; S37-C41 PolarHBondContact O-SG 3.35Å | ||
| 38 | P | 89.1 | Confident | 90.1 | Very high | 54 Ų | 54 | 73.2 Ų | 73.2 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54.5 | -30.8 | 176.4 | -28.1 | 34.2 | 0 | 0 | 0 | 113.5 | L25 V31 Q40 C41 L42 | L25-P38 HydrophobicContact CB-CB 4.23Å; L25-P38 HydrophobicContact CD1-CB 4.22Å; V31-P38 HydrophobicContact CG2-CB 4.43Å; V31-P38 HydrophobicContact CG2-CG 4.13Å; P38-Q40 VanDerWaalsContact C-N 3.35Å; P38-C41 PolarHBondContact O-N 3.48Å; P38-L42 WeakPolarHBondContact O-CB 3.45Å; P38-L42 PolarHBondContact O-N 3.12Å |
| 39 | R | 89.3 | Confident | 90.1 | Very high | 209 Ų | 209 | 76 Ų | 76 | 79% | 0.789 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.3 | -35.6 | 175 | -77.2 | -177 | 160.3 | 177.4 | -2.6 | 113.1 | S37 K43 | S37-R39 PolarHBondContact O-N 2.82Å; R39-K43 PolarHBondContact O-N 3.49Å |
| 40 | Q | 90.3 | Very high | 90.2 | Very high | 86 Ų | 86 | 73.9 Ų | 73.9 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -72.6 | -45.9 | 176.3 | -176.5 | 172.3 | -10.4 | 0 | 0 | 110.2 | K36 S37 P38 L42 K43 E44 | K36-Q40 HydrophobicContact CB-CB 4.49Å; K36-Q40 HydrophobicContact CD-CG 4.35Å; S37-Q40 WeakPolarHBondContact O-CA 3.43Å; S37-Q40 WeakPolarHBondContact O-CB 3.39Å; S37-Q40 PolarHBondContact O-N 2.94Å; S37-Q40 WeakPolarHBondContact OG-CB 3.47Å; S37-Q40 PolarHBondContact OG-N 3.32Å; P38-Q40 VanDerWaalsContact C-N 3.35Å; Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 2.97Å; Q40-K43 WeakPolarHBondContact O-CA 3.43Å; Q40-K43 WeakPolarHBondContact O-CB 3.42Å; Q40-K43 PolarHBondContact O-N 3.29Å; Q40-E44 VanDerWaalsContact CG-OE1 3.32Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.31Å; Q40-E44 PolarHBondContact NE2-OE1 2.95Å; Q40-E44 VanDerWaalsContact NE2-OE1 3.11Å; Q40-E44 WeakPolarHBondContact O-CG 3.28Å; Q40-E44 PolarHBondContact O-N 2.92Å |
| 41 | C | 90.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.1 | -38.1 | 174.7 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | L25 C30 V31 S37 P38 K43 E44 G45 H46 | L25-C41 HydrophobicContact CD2-CB 4.02Å; C30-C41 HydrophobicContact CB-CB 3.73Å; C30-C41 WeakPolarHBondContact CB-SG 3.45Å; C30-C41 WeakPolarHBondContact SG-CA 3.02Å; C30-C41 WeakPolarHBondContact SG-CB 3.28Å; C30-C41 CovalentContact SG-SG 2.03Å; C30-C41 PolarHBondContact SG-SG 3.47Å; V31-C41 HydrophobicContact CG2-CB 4.34Å; V31-C41 VanDerWaalsContact CG2-SG 3.53Å; S37-C41 PolarHBondContact O-N 3.27Å; S37-C41 VanDerWaalsContact O-N 3.09Å; S37-C41 PolarHBondContact O-SG 3.35Å; P38-C41 PolarHBondContact O-N 3.48Å; C41-K43 VanDerWaalsContact C-N 3.32Å; C41-K43 PolarHBondContact O-N 3.18Å; C41-E44 PolarHBondContact O-N 3.24Å; C41-G45 PolarHBondContact O-N 2.89Å; C41-G45 VanDerWaalsContact O-N 3.07Å; C41-H46 HydrophobicContact CB-CB 4.39Å; C41-H46 PolarHBondContact O-N 2.84Å; C41-H46 VanDerWaalsContact O-N 3.09Å |
| 42 | L | 89.6 | Confident | 90.3 | Very high | 49 Ų | 49 | 83.9 Ų | 83.9 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 174.6 | -172.4 | 70.1 | 0 | 0 | 0 | 113.2 | L21 L25 P38 Q40 K51 | L21-L42 HydrophobicContact CD1-CD1 4.15Å; L21-L42 HydrophobicContact CD2-CD1 4.28Å; L25-L42 HydrophobicContact CD1-CB 4.33Å; L25-L42 HydrophobicContact CD1-CD1 4.31Å; L25-L42 HydrophobicContact CD2-CB 4.36Å; P38-L42 WeakPolarHBondContact O-CB 3.45Å; P38-L42 PolarHBondContact O-N 3.12Å; Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 2.97Å; L42-K51 HydrophobicContact CD1-CB 4.19Å; L42-K51 HydrophobicContact CD1-CD 3.8Å; L42-K51 HydrophobicContact CD1-CG 4.01Å; L42-K51 HydrophobicContact CG-CD 4.36Å; L42-K51 PolarHBondContact O-NZ 2.89Å |
| 43 | K | 89 | Confident | 90.3 | Very high | 183 Ų | 183 | 80.4 Ų | 80.4 | 80% | 0.796 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -74.7 | -37.9 | 174 | -76.9 | -178.8 | 178.6 | -176.9 | 0 | 111.6 | R39 Q40 C41 G45 | R39-K43 PolarHBondContact O-N 3.49Å; Q40-K43 WeakPolarHBondContact O-CA 3.43Å; Q40-K43 WeakPolarHBondContact O-CB 3.42Å; Q40-K43 PolarHBondContact O-N 3.29Å; C41-K43 VanDerWaalsContact C-N 3.32Å; C41-K43 PolarHBondContact O-N 3.18Å; K43-G45 PolarHBondContact O-N 3.42Å |
| 44 | E | 89.4 | Confident | 90.4 | Very high | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.5 | -16.8 | 177.3 | -69 | 172.8 | -173.8 | 0 | 0 | 112.4 | C30 K36 Q40 C41 | C30-E44 PolarHBondContact SG-OE2 2.93Å; K36-E44 WeakPolarHBondContact CE-OE1 3.32Å; K36-E44 IonicContact NZ-OE1 2.62Å; K36-E44 PolarHBondContact NZ-OE1 3.3Å; K36-E44 IonicContact NZ-OE2 2.82Å; K36-E44 PolarHBondContact NZ-OE2 3.18Å; Q40-E44 VanDerWaalsContact CG-OE1 3.32Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.31Å; Q40-E44 PolarHBondContact NE2-OE1 2.95Å; Q40-E44 VanDerWaalsContact NE2-OE1 3.11Å; Q40-E44 WeakPolarHBondContact O-CG 3.28Å; Q40-E44 PolarHBondContact O-N 2.92Å; C41-E44 PolarHBondContact O-N 3.24Å |
| 45 | G | 88.3 | Confident | 90.5 | Very high | 33 Ų | 33 | 76.3 Ų | 76.3 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.4 | 11.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C41 K43 | C41-G45 PolarHBondContact O-N 2.89Å; C41-G45 VanDerWaalsContact O-N 3.07Å; K43-G45 PolarHBondContact O-N 3.42Å |
| 46 | H | 89.1 | Confident | 90.6 | Very high | 65 Ų | 65 | 74.4 Ų | 74.4 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 145.3 | 171.9 | -69.2 | -78.5 | 0 | 0 | 0 | 111.2 | L25 C30 C41 S48 | L25-H46 HydrophobicContact CD2-CB 4.28Å; C30-H46 VanDerWaalsContact CB-CD2 3.49Å; C30-H46 WeakPolarHBondContact CB-CD2 3.36Å; C30-H46 WeakPolarHBondContact CB-NE2 3.42Å; C41-H46 HydrophobicContact CB-CB 4.39Å; C41-H46 PolarHBondContact O-N 2.84Å; C41-H46 VanDerWaalsContact O-N 3.09Å; H46-S48 VanDerWaalsContact C-N 3.29Å; H46-S48 PolarHBondContact O-N 3.04Å |
| 47 | C | 92.4 | Very high | 90.7 | Very high | 23 Ų | 23 | 72 Ų | 72 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 37.3 | -178.8 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | L21 C24 A49 L50 K51 | L21-C47 HydrophobicContact CD1-CB 3.81Å; C24-C47 HydrophobicContact CB-CB 3.92Å; C24-C47 WeakPolarHBondContact CB-SG 3.2Å; C24-C47 PolarHBondContact O-SG 2.86Å; C24-C47 WeakPolarHBondContact SG-CB 3.21Å; C24-C47 CovalentContact SG-SG 2.03Å; C24-C47 PolarHBondContact SG-SG 3.33Å; C47-A49 VanDerWaalsContact C-N 3.29Å; C47-A49 PolarHBondContact O-N 2.93Å; C47-L50 PolarHBondContact O-N 3.35Å; C47-K51 WeakPolarHBondContact O-CB 3.25Å; C47-K51 PolarHBondContact O-N 3.46Å |
| 48 | S | 91.1 | Very high | 90.6 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 57% | 0.566 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56.3 | -37 | -174.5 | 59.7 | 0 | 0 | 0 | 0 | 114 | H46 K51 Y52 | H46-S48 VanDerWaalsContact C-N 3.29Å; H46-S48 PolarHBondContact O-N 3.04Å; S48-K51 PolarHBondContact O-N 2.76Å; S48-Y52 WeakPolarHBondContact O-CB 3.03Å; S48-Y52 PolarHBondContact O-N 2.88Å |
| 49 | A | 91.5 | Very high | 90.7 | Very high | 74 Ų | 74 | 81.2 Ų | 81.2 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.5 | -49.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C47 Y52 A53 | C47-A49 VanDerWaalsContact C-N 3.29Å; C47-A49 PolarHBondContact O-N 2.93Å; A49-Y52 PolarHBondContact O-N 3.05Å; A49-A53 PolarHBondContact O-N 3.42Å |
| 50 | L | 92 | Very high | 90.6 | Very high | 47 Ų | 47 | 71.7 Ų | 71.7 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.2 | -70.7 | 170.9 | 0 | 0 | 0 | 111.6 | D20 L21 C24 C47 Y52 A53 F54 | D20-L50 HydrophobicContact CB-CD1 4.22Å; D20-L50 HydrophobicContact CB-CD2 3.94Å; L21-L50 HydrophobicContact CB-CB 4.37Å; L21-L50 HydrophobicContact CD1-CB 3.83Å; C24-L50 HydrophobicContact CB-CD1 3.57Å; C47-L50 PolarHBondContact O-N 3.35Å; L50-Y52 VanDerWaalsContact C-N 3.32Å; L50-Y52 PolarHBondContact O-N 2.9Å; L50-A53 PolarHBondContact O-N 3.22Å; L50-F54 VanDerWaalsContact O-CB 3.31Å; L50-F54 WeakPolarHBondContact O-CB 3.36Å; L50-F54 PolarHBondContact O-N 3.26Å |
| 51 | K | 92.1 | Very high | 90.4 | Very high | 88 Ų | 88 | 72.1 Ų | 72.1 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 172.5 | 179.8 | -177.1 | -178.7 | 176.8 | 0 | 111.3 | L21 L42 C47 S48 F55 | L21-K51 HydrophobicContact CD1-CB 4.32Å; L42-K51 HydrophobicContact CD1-CB 4.19Å; L42-K51 HydrophobicContact CD1-CD 3.8Å; L42-K51 HydrophobicContact CD1-CG 4.01Å; L42-K51 HydrophobicContact CG-CD 4.36Å; L42-K51 PolarHBondContact O-NZ 2.89Å; C47-K51 WeakPolarHBondContact O-CB 3.25Å; C47-K51 PolarHBondContact O-N 3.46Å; S48-K51 PolarHBondContact O-N 2.76Å; K51-F55 WeakPolarHBondContact O-CB 3.08Å; K51-F55 PolarHBondContact O-N 3.32Å |
| 52 | Y | 92.4 | Very high | 90.2 | Very high | 150 Ų | 150 | 79.2 Ų | 79.2 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 177 | -179.3 | -103 | 0 | 0 | 0 | 111.6 | S48 A49 L50 F54 F55 E56 | S48-Y52 WeakPolarHBondContact O-CB 3.03Å; S48-Y52 PolarHBondContact O-N 2.88Å; A49-Y52 PolarHBondContact O-N 3.05Å; L50-Y52 VanDerWaalsContact C-N 3.32Å; L50-Y52 PolarHBondContact O-N 2.9Å; Y52-F54 PolarHBondContact O-N 3.49Å; Y52-F55 WeakPolarHBondContact O-CB 3.47Å; Y52-F55 PolarHBondContact O-N 2.87Å; Y52-E56 HydrophobicContact CD1-CG 4.29Å; Y52-E56 HydrophobicContact CE1-CG 3.75Å; Y52-E56 HydrophobicContact CE2-CG 4.04Å; Y52-E56 PolarHBondContact O-N 3.47Å; Y52-E56 PolarHBondContact OH-OE1 2.04Å |
| 53 | A | 91.8 | Very high | 90 | Very high | 26 Ų | 26 | 80.2 Ų | 80.2 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L17 A49 L50 F55 E56 C57 | L17-A53 HydrophobicContact CD1-CB 4.47Å; L17-A53 HydrophobicContact CD2-CB 3.92Å; A49-A53 PolarHBondContact O-N 3.42Å; L50-A53 PolarHBondContact O-N 3.22Å; A53-F55 VanDerWaalsContact C-N 3.32Å; A53-F55 PolarHBondContact O-N 2.85Å; A53-E56 PolarHBondContact O-N 3.02Å; A53-C57 WeakPolarHBondContact O-CB 3.18Å; A53-C57 PolarHBondContact O-N 3.05Å |
| 54 | F | 91.4 | Very high | 89.8 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 22% | 0.219 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176 | -179.8 | -106.2 | 0 | 0 | 0 | 112 | C14 L17 K18 L50 Y52 C57 R58 | C14-F54 HydrophobicContact CB-CD2 4.23Å; C14-F54 HydrophobicContact CB-CE2 4.08Å; L17-F54 HydrophobicContact CB-CB 4.35Å; L17-F54 HydrophobicContact CB-CD2 4.08Å; K18-F54 HydrophobicContact CB-CD2 4.3Å; K18-F54 HydrophobicContact CB-CE2 3.86Å; K18-F54 HydrophobicContact CG-CE2 4.4Å; L50-F54 VanDerWaalsContact O-CB 3.31Å; L50-F54 WeakPolarHBondContact O-CB 3.36Å; L50-F54 PolarHBondContact O-N 3.26Å; Y52-F54 PolarHBondContact O-N 3.49Å; F54-C57 PolarHBondContact O-N 3.47Å; F54-R58 PolarHBondContact O-N 2.9Å |
| 55 | F | 91.5 | Very high | 89.5 | Confident | 117 Ų | 117 | 80.7 Ų | 80.7 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.4 | 176.2 | -98.8 | 0 | 0 | 0 | 112.1 | K51 Y52 A53 C57 R58 R59 | K51-F55 WeakPolarHBondContact O-CB 3.08Å; K51-F55 PolarHBondContact O-N 3.32Å; Y52-F55 WeakPolarHBondContact O-CB 3.47Å; Y52-F55 PolarHBondContact O-N 2.87Å; A53-F55 VanDerWaalsContact C-N 3.32Å; A53-F55 PolarHBondContact O-N 2.85Å; F55-C57 VanDerWaalsContact C-N 3.33Å; F55-C57 PolarHBondContact O-N 2.8Å; F55-R58 PolarHBondContact O-N 3.46Å; F55-R59 VanDerWaalsContact O-CB 3.27Å; F55-R59 WeakPolarHBondContact O-CB 3.48Å; F55-R59 PolarHBondContact O-N 3.3Å |
| 56 | E | 91.6 | Very high | 89.2 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 12% | 0.117 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 176.7 | -78.6 | -67.2 | 133.9 | 0 | 0 | 111.8 | Y52 A53 R59 S60 | Y52-E56 HydrophobicContact CD1-CG 4.29Å; Y52-E56 HydrophobicContact CE1-CG 3.75Å; Y52-E56 HydrophobicContact CE2-CG 4.04Å; Y52-E56 PolarHBondContact O-N 3.47Å; Y52-E56 PolarHBondContact OH-OE1 2.04Å; A53-E56 PolarHBondContact O-N 3.02Å; E56-R59 PolarHBondContact O-N 3.29Å; E56-R59 IonicContact OE1-NH1 3.84Å; E56-S60 WeakPolarHBondContact O-CB 3.48Å; E56-S60 PolarHBondContact O-N 3.43Å |
| 57 | C | 91.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | C14 L17 A53 F54 F55 R59 S60 M61 K72 | C14-C57 VanDerWaalsContact CA-SG 3.58Å; C14-C57 HydrophobicContact CB-CB 3.93Å; C14-C57 WeakPolarHBondContact CB-SG 3.47Å; C14-C57 WeakPolarHBondContact SG-CB 3.38Å; C14-C57 CovalentContact SG-SG 2.04Å; C14-C57 PolarHBondContact SG-SG 3.34Å; L17-C57 HydrophobicContact CD1-CB 3.5Å; A53-C57 WeakPolarHBondContact O-CB 3.18Å; A53-C57 PolarHBondContact O-N 3.05Å; F54-C57 PolarHBondContact O-N 3.47Å; F55-C57 VanDerWaalsContact C-N 3.33Å; F55-C57 PolarHBondContact O-N 2.8Å; C57-R59 VanDerWaalsContact C-N 3.3Å; C57-R59 PolarHBondContact O-N 3.22Å; C57-S60 PolarHBondContact O-N 3.19Å; C57-S60 PolarHBondContact O-OG 2.86Å; C57-M61 WeakPolarHBondContact O-CG 3.06Å; C57-M61 PolarHBondContact O-N 3.36Å; C57-K72 WeakPolarHBondContact CA-O 3.5Å; C57-K72 WeakPolarHBondContact CB-O 3.27Å; C57-K72 PolarHBondContact N-O 3.28Å |
| 58 | R | 89.4 | Confident | 88.1 | Confident | 166 Ų | 166 | 94.1 Ų | 94.1 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.1 | -39.3 | 176.6 | -107.9 | -161.3 | 175.5 | -166.1 | 0.6 | 112.5 | F54 F55 M61 | F54-R58 PolarHBondContact O-N 2.9Å; F55-R58 PolarHBondContact O-N 3.46Å; R58-M61 WeakPolarHBondContact O-CB 3.27Å; R58-M61 PolarHBondContact O-N 3.36Å |
| 59 | R | 90.1 | Very high | 87.7 | Confident | 145 Ų | 145 | 100.3 Ų | 100.3 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.6 | -179.4 | 179.1 | 173 | 173.7 | 5.3 | 111.2 | F55 E56 C57 M61 L62 D63 | F55-R59 VanDerWaalsContact O-CB 3.27Å; F55-R59 WeakPolarHBondContact O-CB 3.48Å; F55-R59 PolarHBondContact O-N 3.3Å; E56-R59 PolarHBondContact O-N 3.29Å; E56-R59 IonicContact OE1-NH1 3.84Å; C57-R59 VanDerWaalsContact C-N 3.3Å; C57-R59 PolarHBondContact O-N 3.22Å; R59-M61 PolarHBondContact O-N 3.29Å; R59-L62 PolarHBondContact O-N 2.97Å; R59-L62 VanDerWaalsContact O-N 3.08Å; R59-D63 PolarHBondContact O-N 3.35Å; R59-D63 VanDerWaalsContact O-N 3.1Å |
| 60 | S | 88.5 | Confident | 87 | Confident | 8 Ų | 8 | 98.7 Ų | 98.7 | 6% | 0.056 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.7 | -27.2 | 178.1 | 80.4 | 0 | 0 | 0 | 0 | 112.8 | E56 C57 L62 D63 A66 K72 | E56-S60 WeakPolarHBondContact O-CB 3.48Å; E56-S60 PolarHBondContact O-N 3.43Å; C57-S60 PolarHBondContact O-N 3.19Å; C57-S60 PolarHBondContact O-OG 2.86Å; S60-L62 VanDerWaalsContact C-N 3.27Å; S60-L62 PolarHBondContact O-N 3.3Å; S60-D63 PolarHBondContact O-N 2.81Å; S60-A66 WeakPolarHBondContact O-CB 3.37Å; S60-K72 PolarHBondContact OG-N 3.1Å |
| 61 | M | 85.6 | Confident | 86.1 | Confident | 96 Ų | 96 | 103.8 Ų | 103.8 | 47% | 0.473 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.3 | -30.3 | 173.9 | -69.2 | -123.2 | -72.4 | 0 | 0 | 113.6 | A13 C57 R58 R59 | A13-M61 HydrophobicContact CB-CE 4.04Å; A13-M61 HydrophobicContact CB-CG 4.24Å; A13-M61 HydrophobicContact CB-SD 3.18Å; A13-M61 WeakPolarHBondContact CB-SD 3.23Å; C57-M61 WeakPolarHBondContact O-CG 3.06Å; C57-M61 PolarHBondContact O-N 3.36Å; R58-M61 WeakPolarHBondContact O-CB 3.27Å; R58-M61 PolarHBondContact O-N 3.36Å; R59-M61 PolarHBondContact O-N 3.29Å |
| 62 | L | 86.4 | Confident | 85.1 | Confident | 149 Ų | 149 | 105.4 Ų | 105.4 | 78% | 0.78 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -90.9 | -19.4 | 177.8 | -59 | 177.4 | 0 | 0 | 0 | 112 | R59 S60 N64 | R59-L62 PolarHBondContact O-N 2.97Å; R59-L62 VanDerWaalsContact O-N 3.08Å; S60-L62 VanDerWaalsContact C-N 3.27Å; S60-L62 PolarHBondContact O-N 3.3Å; L62-N64 PolarHBondContact O-N 3.31Å |
| 63 | D | 85.8 | Confident | 83.9 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | trans | -77.9 | 107 | 178.4 | -172.5 | -2.3 | 0 | 0 | 0 | 111.1 | R59 S60 R65 A66 | R59-D63 PolarHBondContact O-N 3.35Å; R59-D63 VanDerWaalsContact O-N 3.1Å; S60-D63 PolarHBondContact O-N 2.81Å; D63-R65 PolarHBondContact O-N 3.4Å; D63-R65 VanDerWaalsContact O-N 3.1Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.41Å; D63-R65 WeakPolarHBondContact OD1-CG 3.43Å; D63-R65 PolarHBondContact OD1-N 3.1Å; D63-A66 HydrophobicContact CB-CB 4.2Å; D63-A66 WeakPolarHBondContact O-CB 3.33Å; D63-A66 PolarHBondContact O-N 3.08Å | ||
| 64 | N | 84 | Confident | 82.3 | Confident | 104 Ų | 104 | 111 Ų | 111 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.8 | 176.1 | -70.9 | -68.6 | 0 | 0 | 0 | 113.4 | L62 A66 R67 | L62-N64 PolarHBondContact O-N 3.31Å; N64-A66 VanDerWaalsContact C-N 3.32Å; N64-R67 VanDerWaalsContact O-CB 3.31Å; N64-R67 WeakPolarHBondContact O-CB 3.31Å; N64-R67 WeakPolarHBondContact O-CG 3.36Å; N64-R67 PolarHBondContact O-N 3.47Å |
| 65 | R | 83.9 | Confident | 81.9 | Confident | 177 Ų | 177 | 114.1 Ų | 114.1 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -28.7 | 176.3 | -59.9 | 174 | 175.5 | 176.7 | -1.9 | 112.1 | D63 R67 F68 R69 | D63-R65 PolarHBondContact O-N 3.4Å; D63-R65 VanDerWaalsContact O-N 3.1Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.41Å; D63-R65 WeakPolarHBondContact OD1-CG 3.43Å; D63-R65 PolarHBondContact OD1-N 3.1Å; R65-R67 PolarHBondContact O-N 3.45Å; R65-F68 PolarHBondContact O-N 3.33Å; R65-R69 PolarHBondContact O-N 3.36Å |
| 66 | A | 81.1 | Confident | 81.4 | Confident | 11 Ų | 11 | 113.9 Ų | 113.9 | 9% | 0.091 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -70.8 | -14.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S60 D63 N64 F68 R69 G70 | S60-A66 WeakPolarHBondContact O-CB 3.37Å; D63-A66 HydrophobicContact CB-CB 4.2Å; D63-A66 WeakPolarHBondContact O-CB 3.33Å; D63-A66 PolarHBondContact O-N 3.08Å; N64-A66 VanDerWaalsContact C-N 3.32Å; A66-F68 VanDerWaalsContact C-N 3.27Å; A66-F68 PolarHBondContact O-N 3.47Å; A66-R69 PolarHBondContact O-N 2.97Å; A66-G70 CarbonylContact O-C 3.32Å; A66-G70 VanDerWaalsContact O-C 3.32Å; A66-G70 WeakPolarHBondContact O-CA 3.44Å; A66-G70 PolarHBondContact O-N 2.89Å |
| 67 | R | 77.9 | Confident | 80.8 | Confident | 199 Ų | 199 | 118.8 Ų | 118.8 | 75% | 0.751 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.1 | -39.4 | 173.4 | -69.8 | -179.9 | 151.8 | 178 | -7.3 | 112.9 | N64 R65 | N64-R67 VanDerWaalsContact O-CB 3.31Å; N64-R67 WeakPolarHBondContact O-CB 3.31Å; N64-R67 WeakPolarHBondContact O-CG 3.36Å; N64-R67 PolarHBondContact O-N 3.47Å; R65-R67 PolarHBondContact O-N 3.45Å |
| 68 | F | 80.1 | Confident | 80.2 | Confident | 193 Ų | 193 | 125.8 Ų | 125.8 | 85% | 0.846 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -92.9 | -29.9 | -179.5 | -61.8 | -74.1 | 0 | 0 | 0 | 112.9 | R65 A66 | R65-F68 PolarHBondContact O-N 3.33Å; A66-F68 VanDerWaalsContact C-N 3.27Å; A66-F68 PolarHBondContact O-N 3.47Å |
| 69 | R | 82.3 | Confident | 79.6 | Confident | 210 Ų | 210 | 123.3 Ų | 123.3 | 79% | 0.792 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -90.9 | -7.9 | -174.3 | -63.5 | 180 | -179.9 | 177.4 | -1.8 | 113.9 | R65 A66 | R65-R69 PolarHBondContact O-N 3.36Å; A66-R69 PolarHBondContact O-N 2.97Å |
| 70 | G | 77.8 | Confident | 78.9 | Confident | 40 Ų | 40 | 121.8 Ų | 121.8 | 41% | 0.412 | 55% | 0.552 | S | S | . | * | trans | 86 | 160.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A66 | A66-G70 CarbonylContact O-C 3.32Å; A66-G70 VanDerWaalsContact O-C 3.32Å; A66-G70 WeakPolarHBondContact O-CA 3.44Å; A66-G70 PolarHBondContact O-N 2.89Å | ||
| 71 | R | 73.7 | Confident | 78.2 | Confident | 154 Ų | 154 | 129.9 Ų | 129.9 | 58% | 0.581 | 59% | 0.588 | S | S | * | * | trans | -71.5 | 152.3 | 177.9 | -71.4 | 178.2 | 176.8 | 161.1 | -1.5 | 110.5 | A13 | A13-R71 VanDerWaalsContact CB-CZ 3.45Š| ||
| 72 | K | 71.5 | Confident | 77.7 | Confident | 122 Ų | 122 | 132.5 Ų | 132.5 | 53% | 0.53 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -97.4 | 126.4 | 175.4 | -69.9 | -170.7 | 172 | -171.8 | 0 | 109.3 | C57 S60 | C57-K72 WeakPolarHBondContact CA-O 3.5Å; C57-K72 WeakPolarHBondContact CB-O 3.27Å; C57-K72 PolarHBondContact N-O 3.28Å; S60-K72 PolarHBondContact OG-N 3.1Å |
| 73 | G | 66.6 | Low | 76.9 | Confident | 34 Ų | 34 | 131.2 Ų | 131.2 | 35% | 0.351 | 58% | 0.581 | S | S | . | * | trans | 89 | 136.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 74 | Y | 58.3 | Low | 76.1 | Confident | 260 Ų | 260 | 136.7 Ų | 136.7 | 100% | 1.02 | 60% | 0.6 | S | S | * | * | trans | 13.7 | 0 | -176.1 | -153.9 | -107.2 | 0 | 0 | 0 | 117.3 |
Retrieved 74 of 74 residues in 20.2 ms
(Link to these results)