| 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 | 40.7 | Very low | 46.4 | Very low | 231 Ų | 231 | 153.8 Ų | 153.8 | 100% | 1.138 | 75% | 0.752 | S | S | * | * | 0 | 84.8 | 0 | -163.8 | 165.3 | 86.6 | 0 | 0 | 105.9 | |||||
| 2 | L | 43.2 | Very low | 45.8 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | 46.1 | 105.3 | 105.1 | -93.7 | 101.9 | 0 | 0 | 0 | 109.5 | |||||
| 3 | L | 46.4 | Very low | 45.6 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | -149.5 | 119.6 | 66.2 | -69.1 | 141 | 0 | 0 | 0 | 107.9 | |||||
| 4 | L | 48.4 | Very low | 45.3 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | 38.7 | 91.5 | 61.7 | -66.8 | -179.8 | 0 | 0 | 0 | 113 | |||||
| 5 | Y | 48.1 | Very low | 45.2 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -178 | 83.4 | 134.3 | -116 | -139.9 | 0 | 0 | 0 | 110.4 | E7 | Y5-E7 HydrophobicContact CD1-CB 3.66Å; Y5-E7 VanDerWaalsContact CD1-CD 3.41Å; Y5-E7 HydrophobicContact CD1-CG 3.59Å; Y5-E7 VanDerWaalsContact CD1-OE2 3.24Å; Y5-E7 WeakPolarHBondContact CD1-OE2 3.14Å; Y5-E7 HydrophobicContact CE1-CB 4.03Å; Y5-E7 HydrophobicContact CE1-CG 3.42Å; Y5-E7 VanDerWaalsContact CE1-CG 3.42Å; Y5-E7 WeakPolarHBondContact CE1-OE1 3.35Å; Y5-E7 WeakPolarHBondContact CE1-OE2 3.43Å; Y5-E7 HydrophobicContact CG-CB 4.3Å; Y5-E7 HydrophobicContact CG-CG 4.35Å; Y5-E7 PolarHBondContact O-N 2.72Å; Y5-E7 VanDerWaalsContact O-N 3.11Å; Y5-E7 PolarHBondContact OH-OE1 3.44Å | ||
| 6 | Y | 44.5 | Very low | 45.6 | Very low | 218 Ų | 218 | 148.8 Ų | 148.8 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -78.2 | 76.7 | 150.7 | -168.1 | -96.8 | 0 | 0 | 0 | 105.9 | S8 | Y6-S8 PolarHBondContact O-N 3.38Š| ||
| 7 | E | 50.5 | Low | 46.7 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 51% | 0.505 | 74% | 0.744 | S | S | . | * | trans | -83.3 | 92.4 | 169.9 | -124 | -173.3 | -179.2 | 0 | 0 | 107.8 | Y5 | Y5-E7 HydrophobicContact CD1-CB 3.66Å; Y5-E7 VanDerWaalsContact CD1-CD 3.41Å; Y5-E7 HydrophobicContact CD1-CG 3.59Å; Y5-E7 VanDerWaalsContact CD1-OE2 3.24Å; Y5-E7 WeakPolarHBondContact CD1-OE2 3.14Å; Y5-E7 HydrophobicContact CE1-CB 4.03Å; Y5-E7 HydrophobicContact CE1-CG 3.42Å; Y5-E7 VanDerWaalsContact CE1-CG 3.42Å; Y5-E7 WeakPolarHBondContact CE1-OE1 3.35Å; Y5-E7 WeakPolarHBondContact CE1-OE2 3.43Å; Y5-E7 HydrophobicContact CG-CB 4.3Å; Y5-E7 HydrophobicContact CG-CG 4.35Å; Y5-E7 PolarHBondContact O-N 2.72Å; Y5-E7 VanDerWaalsContact O-N 3.11Å; Y5-E7 PolarHBondContact OH-OE1 3.44Å | ||
| 8 | S | 43.2 | Very low | 48.7 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 57% | 0.566 | 71% | 0.711 | S | S | * | * | trans | -122.4 | 65.3 | 146.1 | -63 | 0 | 0 | 0 | 0 | 106.4 | Y6 T10 | Y6-S8 PolarHBondContact O-N 3.38Å; S8-T10 PolarHBondContact O-N 3.45Å | ||
| 9 | H | 45.4 | Very low | 50.9 | Low | 145 Ų | 145 | 133.1 Ų | 133.1 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | trans | -67.2 | 81.9 | 155.5 | -84.3 | 102 | 0 | 0 | 0 | 107.8 | H11 | H9-H11 PolarHBondContact O-N 3.41Š| ||
| 10 | T | 51 | Low | 53 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | trans | -84.6 | 93.9 | 146.2 | 53.9 | 0 | 0 | 0 | 0 | 106.2 | S8 G12 | S8-T10 PolarHBondContact O-N 3.45Å; T10-G12 PolarHBondContact O-N 3.25Å | ||
| 11 | H | 49.3 | Very low | 54.9 | Low | 182 Ų | 182 | 126.4 Ų | 126.4 | 84% | 0.843 | 66% | 0.664 | S | S | * | * | trans | -55.1 | 111.1 | 152.4 | -105.3 | 116.5 | 0 | 0 | 0 | 106.9 | H9 | H9-H11 PolarHBondContact O-N 3.41Š| ||
| 12 | G | 38.3 | Very low | 57.4 | Low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | trans | -177.5 | 59.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | T10 | T10-G12 PolarHBondContact O-N 3.25Š| ||
| 13 | L | 43.6 | Very low | 59.9 | Low | 174 Ų | 174 | 111.7 Ų | 111.7 | 91% | 0.911 | 59% | 0.589 | S | S | * | * | trans | -55 | 141.5 | 167.5 | -81.1 | 161.2 | 0 | 0 | 0 | 110.1 | ||||
| 14 | S | 41.3 | Very low | 62.3 | Low | 112 Ų | 112 | 109.1 Ų | 109.1 | 78% | 0.783 | 57% | 0.568 | S | S | * | * | trans | 83.5 | 68 | 157.1 | -168.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 15 | Y | 43.3 | Very low | 64.5 | Low | 188 Ų | 188 | 108.4 Ų | 108.4 | 74% | 0.737 | 56% | 0.561 | S | S | * | * | trans | -129.3 | 72.5 | 135.2 | -159.5 | -96.9 | 0 | 0 | 0 | 108.3 | A17 | Y15-A17 HydrophobicContact CD1-CB 4.08Å; Y15-A17 HydrophobicContact CE1-CB 3.78Å; Y15-A17 PolarHBondContact O-N 3.19Å | ||
| 16 | M | 51.8 | Low | 66.8 | Low | 150 Ų | 150 | 102.6 Ų | 102.6 | 74% | 0.739 | 54% | 0.539 | S | S | * | . | trans | -65.7 | 101.6 | 152.3 | -72.2 | 179.7 | 95.8 | 0 | 0 | 104.1 | V18 | M16-V18 PolarHBondContact O-N 3.44Š| ||
| 17 | A | 65.4 | Low | 69.3 | Low | 65 Ų | 65 | 92.2 Ų | 92.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | trans | -52.2 | 110.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | Y15 S19 | Y15-A17 HydrophobicContact CD1-CB 4.08Å; Y15-A17 HydrophobicContact CE1-CB 3.78Å; Y15-A17 PolarHBondContact O-N 3.19Å; A17-S19 PolarHBondContact O-N 2.92Å | ||
| 18 | V | 82.7 | Confident | 71.5 | Confident | 26 Ų | 26 | 89.9 Ų | 89.9 | 16% | 0.158 | 49% | 0.489 | C | S | . | . | trans | -61.3 | 111 | -177.1 | -179.6 | 0 | 0 | 0 | 0 | 106.5 | M16 I23 F50 E78 A81 I82 | M16-V18 PolarHBondContact O-N 3.44Å; V18-I23 HydrophobicContact CG1-CD1 3.67Å; V18-I23 HydrophobicContact CG1-CG1 3.6Å; V18-F50 VanDerWaalsContact O-CZ 3.23Å; V18-F50 WeakPolarHBondContact O-CZ 3.48Å; V18-E78 HydrophobicContact CG1-CB 4Å; V18-E78 HydrophobicContact CG1-CG 4.05Å; V18-E78 HydrophobicContact CG2-CB 4.06Å; V18-E78 HydrophobicContact CG2-CG 4.17Å; V18-A81 HydrophobicContact CG2-CB 4.14Å; V18-I82 HydrophobicContact CG1-CD1 4.13Å; V18-I82 HydrophobicContact CG1-CG1 4.43Å | ||
| 19 | S | 90.1 | Very high | 74 | Confident | 56 Ų | 56 | 93.6 Ų | 93.6 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | trans | -95.2 | 157 | -179.3 | 69 | 0 | 0 | 0 | 0 | 110.8 | A17 D21 H22 I23 | A17-S19 PolarHBondContact O-N 2.92Å; S19-D21 VanDerWaalsContact C-N 3.29Å; S19-D21 PolarHBondContact O-N 3.19Å; S19-H22 PolarHBondContact O-N 3.47Å; S19-H22 WeakPolarHBondContact OG-CB 3.36Å; S19-H22 PolarHBondContact OG-N 2.67Å; S19-H22 VanDerWaalsContact OG-N 3.16Å; S19-I23 PolarHBondContact O-N 3.36Å; S19-I23 VanDerWaalsContact O-N 3.11Å | ||
| 20 | A | 92.6 | Very high | 76.4 | Confident | 25 Ų | 25 | 91.8 Ų | 91.8 | 21% | 0.207 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -57.6 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I23 R24 V38 F50 | A20-I23 PolarHBondContact O-N 3.45Å; A20-R24 VanDerWaalsContact O-CB 3.32Å; A20-R24 WeakPolarHBondContact O-CB 3.27Å; A20-R24 PolarHBondContact O-N 2.88Å; A20-V38 HydrophobicContact CB-CB 4.1Å; A20-V38 HydrophobicContact CB-CG1 3.66Å; A20-F50 HydrophobicContact CB-CE1 4.45Å |
| 21 | D | 93.9 | Very high | 78.5 | Confident | 101 Ų | 101 | 86.3 Ų | 86.3 | 54% | 0.54 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.8 | -78.2 | -72.2 | 0 | 0 | 0 | 112.8 | S19 I23 R24 E25 | S19-D21 VanDerWaalsContact C-N 3.29Å; S19-D21 PolarHBondContact O-N 3.19Å; D21-I23 PolarHBondContact O-N 3.11Å; D21-R24 WeakPolarHBondContact O-CB 3.45Å; D21-R24 PolarHBondContact O-N 3.49Å; D21-E25 WeakPolarHBondContact O-CG 3.44Å; D21-E25 PolarHBondContact O-N 3.07Å |
| 22 | H | 93.3 | Very high | 80.7 | Confident | 58 Ų | 58 | 84.3 Ų | 84.3 | 27% | 0.269 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.6 | 176.2 | 80.4 | 0 | 0 | 0 | 111.6 | S19 R24 K26 E78 | S19-H22 PolarHBondContact O-N 3.47Å; S19-H22 WeakPolarHBondContact OG-CB 3.36Å; S19-H22 PolarHBondContact OG-N 2.67Å; S19-H22 VanDerWaalsContact OG-N 3.16Å; H22-R24 VanDerWaalsContact C-N 3.31Å; H22-R24 PolarHBondContact O-N 3.07Å; H22-K26 WeakPolarHBondContact O-CB 3.43Å; H22-K26 PolarHBondContact O-N 3.43Å; H22-K26 VanDerWaalsContact O-N 3.1Å; H22-E78 IonicContact CD2-OE1 2.74Å; H22-E78 IonicContact CE1-OE1 2.86Å; H22-E78 IonicContact NE2-OE1 2.68Å; H22-E78 PolarHBondContact NE2-OE1 3.19Å |
| 23 | I | 94.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175 | -66.5 | 170.4 | 0 | 0 | 0 | 110 | V18 S19 A20 D21 K26 L27 V38 F50 V52 L75 I82 | V18-I23 HydrophobicContact CG1-CD1 3.67Å; V18-I23 HydrophobicContact CG1-CG1 3.6Å; S19-I23 PolarHBondContact O-N 3.36Å; S19-I23 VanDerWaalsContact O-N 3.11Å; A20-I23 PolarHBondContact O-N 3.45Å; D21-I23 PolarHBondContact O-N 3.11Å; I23-K26 PolarHBondContact O-N 2.82Å; I23-L27 HydrophobicContact CG2-CD1 3.64Å; I23-L27 HydrophobicContact CG2-CG 4.36Å; I23-L27 WeakPolarHBondContact O-CB 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 3.1Å; I23-V38 HydrophobicContact CB-CG1 4.42Å; I23-V38 HydrophobicContact CB-CG2 4.44Å; I23-V38 HydrophobicContact CD1-CG1 4.46Å; I23-V38 HydrophobicContact CG2-CG1 4.38Å; I23-V38 HydrophobicContact CG2-CG2 4.05Å; I23-F50 HydrophobicContact CD1-CB 4.25Å; I23-F50 HydrophobicContact CD1-CD1 3.9Å; I23-F50 HydrophobicContact CD1-CD2 3.79Å; I23-F50 HydrophobicContact CD1-CE1 4.21Å; I23-F50 HydrophobicContact CD1-CE2 4.11Å; I23-F50 HydrophobicContact CD1-CG 3.68Å; I23-F50 HydrophobicContact CD1-CZ 4.31Å; I23-V52 HydrophobicContact CG2-CG2 4.15Å; I23-L75 HydrophobicContact CG2-CD1 3.94Å; I23-L75 HydrophobicContact CG2-CD2 4.33Å; I23-I82 HydrophobicContact CD1-CD1 4.06Å |
| 24 | R | 96.4 | Very high | 86 | Confident | 106 Ų | 106 | 78.1 Ų | 78.1 | 40% | 0.4 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.7 | -53.4 | -178.4 | -179 | 177.3 | 176.1 | -90.3 | -3.3 | 111.9 | A20 D21 H22 K26 L27 I28 V36 V38 | A20-R24 VanDerWaalsContact O-CB 3.32Å; A20-R24 WeakPolarHBondContact O-CB 3.27Å; A20-R24 PolarHBondContact O-N 2.88Å; D21-R24 WeakPolarHBondContact O-CB 3.45Å; D21-R24 PolarHBondContact O-N 3.49Å; H22-R24 VanDerWaalsContact C-N 3.31Å; H22-R24 PolarHBondContact O-N 3.07Å; R24-K26 VanDerWaalsContact C-N 3.34Å; R24-K26 PolarHBondContact O-N 3Å; R24-L27 PolarHBondContact O-N 3Å; R24-I28 HydrophobicContact CG-CD1 3.85Å; R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.27Å; R24-I28 PolarHBondContact O-N 3.35Å; R24-V36 HydrophobicContact CB-CG1 4.37Å; R24-V36 HydrophobicContact CG-CB 4.07Å; R24-V36 HydrophobicContact CG-CG1 4.09Å; R24-V36 PolarHBondContact NE-O 3.49Å; R24-V38 HydrophobicContact CB-CG2 3.84Å |
| 25 | E | 95.8 | Very high | 88.6 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | -178.4 | -72.8 | -179.3 | 177.1 | 0 | 0 | 111.9 | D21 L27 I28 K29 | D21-E25 WeakPolarHBondContact O-CG 3.44Å; D21-E25 PolarHBondContact O-N 3.07Å; E25-L27 PolarHBondContact O-N 3.4Å; E25-I28 PolarHBondContact O-N 2.96Å; E25-K29 WeakPolarHBondContact O-CB 3.39Å; E25-K29 PolarHBondContact O-N 3.43Å |
| 26 | K | 95.8 | Very high | 91.1 | Very high | 50 Ų | 50 | 67.5 Ų | 67.5 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 178.8 | -165.5 | 172.9 | -174.5 | -174.3 | 0 | 111.6 | H22 I23 R24 K29 E30 C74 L75 E78 | H22-K26 WeakPolarHBondContact O-CB 3.43Å; H22-K26 PolarHBondContact O-N 3.43Å; H22-K26 VanDerWaalsContact O-N 3.1Å; I23-K26 PolarHBondContact O-N 2.82Å; R24-K26 VanDerWaalsContact C-N 3.34Å; R24-K26 PolarHBondContact O-N 3Å; K26-K29 PolarHBondContact O-N 2.98Å; K26-E30 HydrophobicContact CG-CG 4.25Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.32Å; K26-E30 PolarHBondContact O-N 3.1Å; K26-C74 WeakPolarHBondContact CE-O 3.32Å; K26-C74 PolarHBondContact NZ-O 2.83Å; K26-L75 HydrophobicContact CD-CD2 4.1Å; K26-E78 WeakPolarHBondContact CD-OE1 3.24Å; K26-E78 IonicContact NZ-OE1 2.83Å; K26-E78 PolarHBondContact NZ-OE1 3.34Å; K26-E78 IonicContact NZ-OE2 3.78Å; K26-E78 PolarHBondContact NZ-OE2 2.97Å |
| 27 | L | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 177.4 | -68.7 | 170.5 | 0 | 0 | 0 | 112.8 | I23 R24 E25 K29 L31 V36 V52 V54 V71 C74 L75 | I23-L27 HydrophobicContact CG2-CD1 3.64Å; I23-L27 HydrophobicContact CG2-CG 4.36Å; I23-L27 WeakPolarHBondContact O-CB 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 3.1Å; R24-L27 PolarHBondContact O-N 3Å; E25-L27 PolarHBondContact O-N 3.4Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-L31 HydrophobicContact CD2-CD1 3.69Å; L27-L31 WeakPolarHBondContact O-CB 3.38Å; L27-L31 PolarHBondContact O-N 2.92Å; L27-L31 VanDerWaalsContact O-N 3.1Å; L27-V36 HydrophobicContact CB-CG1 4.27Å; L27-V36 HydrophobicContact CB-CG2 4.07Å; L27-V36 HydrophobicContact CD1-CG1 3.97Å; L27-V52 HydrophobicContact CD1-CG1 3.63Å; L27-V54 HydrophobicContact CD1-CG2 3.87Å; L27-V71 HydrophobicContact CD2-CG1 3.89Å; L27-C74 HydrophobicContact CD2-CB 4.45Å; L27-L75 HydrophobicContact CD1-CD1 4.22Å; L27-L75 HydrophobicContact CD2-CD1 4.05Å; L27-L75 HydrophobicContact CD2-CD2 4.26Å; L27-L75 HydrophobicContact CD2-CG 4.04Å; L27-L75 HydrophobicContact CG-CD1 4.33Å; L27-L75 HydrophobicContact CG-CD2 4.28Å; L27-L75 HydrophobicContact CG-CG 4.5Å |
| 28 | I | 96.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 174.5 | -71 | 168.9 | 0 | 0 | 0 | 110.2 | R24 E25 E32 A33 V36 | R24-I28 HydrophobicContact CG-CD1 3.85Å; R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.27Å; R24-I28 PolarHBondContact O-N 3.35Å; E25-I28 PolarHBondContact O-N 2.96Å; I28-E32 VanDerWaalsContact O-CA 3.27Å; I28-E32 WeakPolarHBondContact O-CA 3.37Å; I28-E32 PolarHBondContact O-N 3.49Å; I28-A33 PolarHBondContact O-N 3.36Å; I28-V36 HydrophobicContact CG1-CB 4.11Å; I28-V36 HydrophobicContact CG1-CG2 3.66Å |
| 29 | K | 96 | Very high | 95.3 | Very high | 159 Ų | 159 | 65.9 Ų | 65.9 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70 | -49.7 | -175.7 | -173.7 | -176.8 | 175.9 | -169.3 | 0 | 113 | E25 K26 L27 | E25-K29 WeakPolarHBondContact O-CB 3.39Å; E25-K29 PolarHBondContact O-N 3.43Å; K26-K29 PolarHBondContact O-N 2.98Å; L27-K29 VanDerWaalsContact C-N 3.33Å |
| 30 | E | 95.6 | Very high | 95.4 | Very high | 107 Ų | 107 | 67 Ų | 67 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -84.3 | -28.8 | -170 | -62.4 | -62.4 | 142.2 | 0 | 0 | 113.2 | K26 C74 | K26-E30 HydrophobicContact CG-CG 4.25Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.32Å; K26-E30 PolarHBondContact O-N 3.1Å; E30-C74 VanDerWaalsContact CB-SG 3.57Å |
| 31 | L | 95.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 7.6 | 179.5 | -58.9 | 175.4 | 0 | 0 | 0 | 112.9 | L27 A33 V54 S56 Q58 F59 M70 V71 | L27-L31 HydrophobicContact CD2-CD1 3.69Å; L27-L31 WeakPolarHBondContact O-CB 3.38Å; L27-L31 PolarHBondContact O-N 2.92Å; L27-L31 VanDerWaalsContact O-N 3.1Å; L31-A33 PolarHBondContact O-N 3.21Å; L31-A33 VanDerWaalsContact O-N 3.09Å; L31-V54 HydrophobicContact CD1-CG1 4.27Å; L31-S56 WeakPolarHBondContact O-CB 3.39Å; L31-S56 PolarHBondContact O-OG 3.45Å; L31-Q58 VanDerWaalsContact C-NE2 3.28Å; L31-Q58 PolarHBondContact O-NE2 2.97Å; L31-F59 HydrophobicContact CD1-CE1 4.44Å; L31-F59 HydrophobicContact CD1-CZ 4.07Å; L31-M70 HydrophobicContact CD2-CB 4.2Å; L31-M70 HydrophobicContact CD2-CE 4.26Å; L31-V71 HydrophobicContact CD1-CB 4.45Å; L31-V71 HydrophobicContact CD1-CG2 3.71Å |
| 32 | E | 95.9 | Very high | 95 | Very high | 140 Ų | 140 | 62.5 Ų | 62.5 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 39.9 | -174.9 | -60 | 171.6 | 108.7 | 0 | 0 | 111.1 | I28 V34 Q58 | I28-E32 VanDerWaalsContact O-CA 3.27Å; I28-E32 WeakPolarHBondContact O-CA 3.37Å; I28-E32 PolarHBondContact O-N 3.49Å; E32-V34 PolarHBondContact O-N 3.39Å; E32-Q58 PolarHBondContact OE2-NE2 3.14Å |
| 33 | A | 96 | Very high | 94.3 | Very high | 7 Ų | 7 | 65.1 Ų | 65.1 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | trans | -72.2 | 126.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | I28 L31 H35 V36 V54 V55 | I28-A33 PolarHBondContact O-N 3.36Å; L31-A33 PolarHBondContact O-N 3.21Å; L31-A33 VanDerWaalsContact O-N 3.09Å; A33-H35 VanDerWaalsContact C-N 3.3Å; A33-V36 HydrophobicContact CB-CG2 3.45Å; A33-V36 VanDerWaalsContact CB-CG2 3.45Å; A33-V54 HydrophobicContact CB-CG1 3.81Å; A33-V55 CarbonylContact C-O 3.48Å; A33-V55 VanDerWaalsContact CA-O 3.27Å; A33-V55 WeakPolarHBondContact CA-O 3.36Å; A33-V55 WeakPolarHBondContact CB-O 3.22Å | ||
| 34 | V | 96.4 | Very high | 93.5 | Very high | 102 Ų | 102 | 72.5 Ų | 72.5 | 62% | 0.618 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -77.2 | -22.3 | 179.2 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | E32 V55 P92 | E32-V34 PolarHBondContact O-N 3.39Å; V34-V55 HydrophobicContact CG2-CB 4.08Å; V34-V55 HydrophobicContact CG2-CG1 3.74Å; V34-V55 WeakPolarHBondContact CG2-O 3.46Å; V34-V55 PolarHBondContact N-O 3.22Å; V34-P92 HydrophobicContact CG2-CG 4.07Å |
| 35 | H | 96 | Very high | 92.3 | Very high | 72 Ų | 72 | 72.9 Ų | 72.9 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 133.7 | 174.7 | 179 | 79.5 | 0 | 0 | 0 | 109.6 | A33 V55 W95 | A33-H35 VanDerWaalsContact C-N 3.3Å; H35-V55 HydrophobicContact CB-CB 3.99Å; H35-V55 HydrophobicContact CB-CG2 4.03Å; H35-V55 PolarHBondContact N-O 2.79Å; H35-V55 PolarHBondContact O-N 3.36Å; H35-W95 AromaticContact CD2-CZ2 3.89Å; H35-W95 AromaticContact NE2-CZ2 3.73Å |
| 36 | V | 96.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.024 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 126.2 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | R24 L27 I28 A33 V38 V52 L53 V54 | R24-V36 HydrophobicContact CB-CG1 4.37Å; R24-V36 HydrophobicContact CG-CB 4.07Å; R24-V36 HydrophobicContact CG-CG1 4.09Å; R24-V36 PolarHBondContact NE-O 3.49Å; L27-V36 HydrophobicContact CB-CG1 4.27Å; L27-V36 HydrophobicContact CB-CG2 4.07Å; L27-V36 HydrophobicContact CD1-CG1 3.97Å; I28-V36 HydrophobicContact CG1-CB 4.11Å; I28-V36 HydrophobicContact CG1-CG2 3.66Å; A33-V36 HydrophobicContact CB-CG2 3.45Å; A33-V36 VanDerWaalsContact CB-CG2 3.45Å; V36-V38 HydrophobicContact CG1-CG2 3.86Å; V36-V52 HydrophobicContact CG1-CG1 4.22Å; V36-L53 VanDerWaalsContact CA-O 3.32Å; V36-L53 WeakPolarHBondContact CA-O 3.44Å; V36-V54 HydrophobicContact CG2-CG1 4.21Å |
| 37 | D | 96.8 | Very high | 90.6 | Very high | 89 Ų | 89 | 73.8 Ų | 73.8 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.9 | 173.2 | -173.5 | 50.8 | 0 | 0 | 0 | 108.4 | V52 L53 | D37-V52 CarbonylContact O-C 3.45Å; D37-V52 WeakPolarHBondContact O-CA 3.4Å; D37-L53 HydrophobicContact CB-CB 4.24Å; D37-L53 PolarHBondContact N-O 2.87Å; D37-L53 PolarHBondContact O-N 3.21Å |
| 38 | V | 96.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 75.3 Ų | 75.3 | 13% | 0.127 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 113.6 | -176.8 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | A20 I23 R24 V36 F50 V52 | A20-V38 HydrophobicContact CB-CB 4.1Å; A20-V38 HydrophobicContact CB-CG1 3.66Å; I23-V38 HydrophobicContact CB-CG1 4.42Å; I23-V38 HydrophobicContact CB-CG2 4.44Å; I23-V38 HydrophobicContact CD1-CG1 4.46Å; I23-V38 HydrophobicContact CG2-CG1 4.38Å; I23-V38 HydrophobicContact CG2-CG2 4.05Å; R24-V38 HydrophobicContact CB-CG2 3.84Å; V36-V38 HydrophobicContact CG1-CG2 3.86Å; V38-F50 HydrophobicContact CG1-CD1 4.03Å; V38-V52 HydrophobicContact CG1-CG2 4.1Å; V38-V52 HydrophobicContact CG2-CG1 4.24Å; V38-V52 HydrophobicContact CG2-CG2 4.27Å |
| 39 | E | 94.7 | Very high | 89.9 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.3 | 176.1 | -177.8 | -178.6 | 90.5 | 0 | 0 | 109.2 | T41 F50 K51 | E39-T41 HydrophobicContact CG-CG2 4.02Å; E39-T41 PolarHBondContact O-N 3.33Å; E39-T41 VanDerWaalsContact OE1-CG2 3.27Å; E39-T41 WeakPolarHBondContact OE1-CG2 3.18Å; E39-F50 WeakPolarHBondContact O-CA 2.82Å; E39-K51 HydrophobicContact CB-CB 4.29Å; E39-K51 PolarHBondContact N-O 2.74Å; E39-K51 PolarHBondContact O-N 3.45Å |
| 40 | D | 92.4 | Very high | 89.8 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 102 | 171.5 | -173.1 | -2.7 | 0 | 0 | 0 | 109.4 | S42 P43 F50 | D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 WeakPolarHBondContact OD1-CA 3.45Å; D40-S42 WeakPolarHBondContact OD1-CB 3.42Å; D40-S42 PolarHBondContact OD1-N 2.97Å; D40-S42 PolarHBondContact OD1-OG 3.44Å; D40-P43 VanDerWaalsContact O-CD 3.31Å; D40-P43 WeakPolarHBondContact O-CD 3.45Å; D40-F50 HydrophobicContact CB-CD1 4.27Å; D40-F50 HydrophobicContact CB-CE1 3.98Å |
| 41 | T | 90.5 | Very high | 89.9 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | trans | -92.4 | 9.1 | 177.6 | 58.7 | 0 | 0 | 0 | 0 | 112 | E39 P43 E44 R45 S49 K51 | E39-T41 HydrophobicContact CG-CG2 4.02Å; E39-T41 PolarHBondContact O-N 3.33Å; E39-T41 VanDerWaalsContact OE1-CG2 3.27Å; E39-T41 WeakPolarHBondContact OE1-CG2 3.18Å; T41-P43 VanDerWaalsContact C-N 3.34Å; T41-E44 PolarHBondContact O-N 2.92Å; T41-R45 PolarHBondContact OG1-NH2 3.09Å; T41-S49 CarbonylContact C-O 3.57Å; T41-S49 PolarHBondContact N-O 2.83Å; T41-S49 VanDerWaalsContact OG1-C 3.22Å; T41-S49 VanDerWaalsContact OG1-CB 3.24Å; T41-S49 WeakPolarHBondContact OG1-CB 3.33Å; T41-S49 PolarHBondContact OG1-O 3.3Å; T41-K51 HydrophobicContact CG2-CB 4.19Å | ||
| 42 | S | 86.6 | Confident | 89.9 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 19% | 0.189 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -59.8 | -33.4 | 175.3 | -49.7 | 0 | 0 | 0 | 0 | 113.3 | D40 E44 R45 A48 S49 | D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 WeakPolarHBondContact OD1-CA 3.45Å; D40-S42 WeakPolarHBondContact OD1-CB 3.42Å; D40-S42 PolarHBondContact OD1-N 2.97Å; D40-S42 PolarHBondContact OD1-OG 3.44Å; S42-E44 PolarHBondContact O-N 2.61Å; S42-R45 CarbonylContact O-C 3.55Å; S42-R45 PolarHBondContact O-N 3.02Å; S42-A48 WeakPolarHBondContact OG-CA 3.25Å; S42-S49 PolarHBondContact N-O 3.27Å; S42-S49 PolarHBondContact OG-N 2.87Å; S42-S49 PolarHBondContact OG-O 2.83Å |
| 43 | P | 79.9 | Confident | 90 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 74% | 0.74 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -61.8 | -25.2 | 176.9 | -23.9 | 34.7 | 0 | 0 | 0 | 113.9 | D40 T41 | D40-P43 VanDerWaalsContact O-CD 3.31Å; D40-P43 WeakPolarHBondContact O-CD 3.45Å; T41-P43 VanDerWaalsContact C-N 3.34Å |
| 44 | E | 76.4 | Confident | 90.1 | Very high | 155 Ų | 155 | 58.2 Ų | 58.2 | 72% | 0.724 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -88.6 | -7.5 | 179.2 | -58.8 | 177.5 | 97.1 | 0 | 0 | 112.5 | T41 S42 | T41-E44 PolarHBondContact O-N 2.92Å; S42-E44 PolarHBondContact O-N 2.61Å |
| 45 | R | 71.6 | Confident | 90.1 | Very high | 114 Ų | 114 | 53.4 Ų | 53.4 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -130.5 | 156 | -176.9 | -68.1 | -161.5 | -95.7 | -91.3 | 0.5 | 111.3 | T41 S42 A47 S49 | T41-R45 PolarHBondContact OG1-NH2 3.09Å; S42-R45 CarbonylContact O-C 3.55Å; S42-R45 PolarHBondContact O-N 3.02Å; R45-A47 PolarHBondContact O-N 2.93Å; R45-A47 VanDerWaalsContact O-N 3.13Å; R45-S49 WeakPolarHBondContact CD-OG 3.42Å; R45-S49 PolarHBondContact NE-OG 2.82Å |
| 46 | C | 75 | Confident | 90.2 | Very high | 153 Ų | 153 | 50 Ų | 50 | 100% | 1.034 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -72.8 | -0.8 | 175.2 | -74.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 47 | A | 81.9 | Confident | 90.2 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -145 | 157.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R45 S49 H83 | R45-A47 PolarHBondContact O-N 2.93Å; R45-A47 VanDerWaalsContact O-N 3.13Å; A47-S49 PolarHBondContact O-N 3.03Å; A47-S49 VanDerWaalsContact O-N 3.15Å; A47-S49 PolarHBondContact O-OG 2.82Å; A47-H83 HydrophobicContact CB-CB 3.58Å |
| 48 | A | 86.1 | Confident | 90.2 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -51.8 | 117.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S42 F50 H83 A84 | S42-A48 WeakPolarHBondContact OG-CA 3.25Å; A48-F50 HydrophobicContact CB-CE2 4.45Å; A48-H83 PolarHBondContact O-N 3.4Å; A48-A84 PolarHBondContact O-N 2.87Å | ||
| 49 | S | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 125.2 | -170.9 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | T41 S42 R45 A47 A84 | T41-S49 CarbonylContact C-O 3.57Å; T41-S49 PolarHBondContact N-O 2.83Å; T41-S49 VanDerWaalsContact OG1-C 3.22Å; T41-S49 VanDerWaalsContact OG1-CB 3.24Å; T41-S49 WeakPolarHBondContact OG1-CB 3.33Å; T41-S49 PolarHBondContact OG1-O 3.3Å; S42-S49 PolarHBondContact N-O 3.27Å; S42-S49 PolarHBondContact OG-N 2.87Å; S42-S49 PolarHBondContact OG-O 2.83Å; R45-S49 WeakPolarHBondContact CD-OG 3.42Å; R45-S49 PolarHBondContact NE-OG 2.82Å; A47-S49 PolarHBondContact O-N 3.03Å; A47-S49 VanDerWaalsContact O-N 3.15Å; A47-S49 PolarHBondContact O-OG 2.82Å; S49-A84 CarbonylContact C-O 3.46Å; S49-A84 VanDerWaalsContact CA-O 3.25Å; S49-A84 WeakPolarHBondContact CA-O 3.34Å |
| 50 | F | 94.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.7 | -177.8 | -62.3 | -82 | 0 | 0 | 0 | 111.6 | V18 A20 I23 V38 E39 D40 A48 V52 I82 A84 F85 E86 | V18-F50 VanDerWaalsContact O-CZ 3.23Å; V18-F50 WeakPolarHBondContact O-CZ 3.48Å; A20-F50 HydrophobicContact CB-CE1 4.45Å; I23-F50 HydrophobicContact CD1-CB 4.25Å; I23-F50 HydrophobicContact CD1-CD1 3.9Å; I23-F50 HydrophobicContact CD1-CD2 3.79Å; I23-F50 HydrophobicContact CD1-CE1 4.21Å; I23-F50 HydrophobicContact CD1-CE2 4.11Å; I23-F50 HydrophobicContact CD1-CG 3.68Å; I23-F50 HydrophobicContact CD1-CZ 4.31Å; V38-F50 HydrophobicContact CG1-CD1 4.03Å; E39-F50 WeakPolarHBondContact O-CA 2.82Å; D40-F50 HydrophobicContact CB-CD1 4.27Å; D40-F50 HydrophobicContact CB-CE1 3.98Å; A48-F50 HydrophobicContact CB-CE2 4.45Å; F50-V52 HydrophobicContact CB-CG2 4.43Å; F50-I82 HydrophobicContact CD2-CD1 3.76Å; F50-I82 HydrophobicContact CD2-CG1 3.78Å; F50-I82 HydrophobicContact CD2-CG2 3.94Å; F50-I82 HydrophobicContact CE2-CD1 4.19Å; F50-I82 HydrophobicContact CE2-CG1 3.89Å; F50-A84 PolarHBondContact N-O 2.86Å; F50-F85 HydrophobicContact CB-CD2 4.15Å; F50-F85 HydrophobicContact CB-CE2 4.47Å; F50-F85 WeakPolarHBondContact O-CA 3.27Å; F50-E86 PolarHBondContact O-N 2.8Å |
| 51 | K | 95.9 | Very high | 90.4 | Very high | 93 Ų | 93 | 52 Ų | 52 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.2 | 166.8 | 176.8 | 172.4 | 179.4 | 145 | 0 | 108.6 | E39 T41 E86 | E39-K51 HydrophobicContact CB-CB 4.29Å; E39-K51 PolarHBondContact N-O 2.74Å; E39-K51 PolarHBondContact O-N 3.45Å; T41-K51 HydrophobicContact CG2-CB 4.19Å; K51-E86 CarbonylContact C-O 3.58Å; K51-E86 WeakPolarHBondContact CA-O 3.05Å; K51-E86 HydrophobicContact CB-CB 4.35Å; K51-E86 WeakPolarHBondContact CD-OE1 3.35Å; K51-E86 WeakPolarHBondContact CE-OE1 3.37Å; K51-E86 HydrophobicContact CG-CB 4.27Å; K51-E86 HydrophobicContact CG-CG 4.34Å; K51-E86 IonicContact NZ-OE1 2.67Å; K51-E86 PolarHBondContact NZ-OE1 3.16Å |
| 52 | V | 97 | Very high | 90.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.2 | -172.1 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | I23 L27 V36 D37 V38 F50 V54 F85 E86 Q87 K88 | I23-V52 HydrophobicContact CG2-CG2 4.15Å; L27-V52 HydrophobicContact CD1-CG1 3.63Å; V36-V52 HydrophobicContact CG1-CG1 4.22Å; D37-V52 CarbonylContact O-C 3.45Å; D37-V52 WeakPolarHBondContact O-CA 3.4Å; V38-V52 HydrophobicContact CG1-CG2 4.1Å; V38-V52 HydrophobicContact CG2-CG1 4.24Å; V38-V52 HydrophobicContact CG2-CG2 4.27Å; F50-V52 HydrophobicContact CB-CG2 4.43Å; V52-V54 HydrophobicContact CG1-CG2 3.51Å; V52-F85 HydrophobicContact CB-CE2 4.26Å; V52-F85 HydrophobicContact CB-CZ 4.09Å; V52-F85 HydrophobicContact CG2-CD2 4.38Å; V52-F85 HydrophobicContact CG2-CE2 3.42Å; V52-F85 VanDerWaalsContact CG2-CE2 3.42Å; V52-F85 HydrophobicContact CG2-CZ 3.74Å; V52-E86 PolarHBondContact N-O 3.11Å; V52-Q87 CarbonylContact O-C 3.56Å; V52-Q87 VanDerWaalsContact O-CA 3.25Å; V52-Q87 WeakPolarHBondContact O-CA 3.37Å; V52-K88 PolarHBondContact O-N 3.39Å |
| 53 | L | 97.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.6 | 165.8 | -179.7 | 115.4 | 0 | 0 | 0 | 108.9 | V36 D37 V55 K88 L90 W95 | V36-L53 VanDerWaalsContact CA-O 3.32Å; V36-L53 WeakPolarHBondContact CA-O 3.44Å; D37-L53 HydrophobicContact CB-CB 4.24Å; D37-L53 PolarHBondContact N-O 2.87Å; D37-L53 PolarHBondContact O-N 3.21Å; L53-V55 HydrophobicContact CD2-CG2 4Å; L53-K88 WeakPolarHBondContact CA-O 3.35Å; L53-K88 HydrophobicContact CD1-CB 4.15Å; L53-K88 HydrophobicContact CD1-CD 3.89Å; L53-K88 HydrophobicContact CD1-CG 4.06Å; L53-L90 HydrophobicContact CD1-CD1 3.88Å; L53-W95 HydrophobicContact CD1-CE3 4.44Å; L53-W95 HydrophobicContact CD1-CH2 4.46Å; L53-W95 HydrophobicContact CD1-CZ3 3.86Å; L53-W95 HydrophobicContact CD2-CD2 4.43Å; L53-W95 HydrophobicContact CD2-CE3 4.04Å; L53-W95 HydrophobicContact CD2-CH2 3.5Å; L53-W95 HydrophobicContact CD2-CZ2 3.94Å; L53-W95 HydrophobicContact CD2-CZ3 3.56Å; L53-W95 HydrophobicContact CG-CZ3 4.36Å |
| 54 | V | 97.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.7 | 179.7 | -169.7 | 0 | 0 | 0 | 0 | 109.3 | L27 L31 A33 V36 V52 F59 V71 K88 T89 L90 | L27-V54 HydrophobicContact CD1-CG2 3.87Å; L31-V54 HydrophobicContact CD1-CG1 4.27Å; A33-V54 HydrophobicContact CB-CG1 3.81Å; V36-V54 HydrophobicContact CG2-CG1 4.21Å; V52-V54 HydrophobicContact CG1-CG2 3.51Å; V54-F59 HydrophobicContact CB-CE2 3.97Å; V54-F59 HydrophobicContact CB-CZ 4.24Å; V54-F59 HydrophobicContact CG1-CE2 3.72Å; V54-F59 HydrophobicContact CG1-CZ 3.83Å; V54-V71 HydrophobicContact CG2-CG2 4.47Å; V54-K88 PolarHBondContact N-O 3.1Å; V54-T89 WeakPolarHBondContact O-CA 3.34Å; V54-L90 PolarHBondContact O-N 3.18Å |
| 55 | V | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.8 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | A33 V34 H35 L53 L90 P92 W95 | A33-V55 CarbonylContact C-O 3.48Å; A33-V55 VanDerWaalsContact CA-O 3.27Å; A33-V55 WeakPolarHBondContact CA-O 3.36Å; A33-V55 WeakPolarHBondContact CB-O 3.22Å; V34-V55 HydrophobicContact CG2-CB 4.08Å; V34-V55 HydrophobicContact CG2-CG1 3.74Å; V34-V55 WeakPolarHBondContact CG2-O 3.46Å; V34-V55 PolarHBondContact N-O 3.22Å; H35-V55 HydrophobicContact CB-CB 3.99Å; H35-V55 HydrophobicContact CB-CG2 4.03Å; H35-V55 PolarHBondContact N-O 2.79Å; H35-V55 PolarHBondContact O-N 3.36Å; L53-V55 HydrophobicContact CD2-CG2 4Å; V55-L90 VanDerWaalsContact CA-O 3.29Å; V55-L90 WeakPolarHBondContact CA-O 3.13Å; V55-L90 HydrophobicContact CG2-CB 4.41Å; V55-P92 HydrophobicContact CG1-CB 4.42Å; V55-P92 HydrophobicContact CG1-CG 4.24Å; V55-W95 HydrophobicContact CG1-CB 3.79Å; V55-W95 HydrophobicContact CG1-CG 4.16Å; V55-W95 HydrophobicContact CG2-CB 3.99Å; V55-W95 HydrophobicContact CG2-CD2 3.93Å; V55-W95 HydrophobicContact CG2-CE3 4.47Å; V55-W95 HydrophobicContact CG2-CG 3.71Å |
| 56 | S | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | trans | -146.9 | 142.7 | 179.6 | 175 | 0 | 0 | 0 | 0 | 111.6 | L31 Q58 F59 L90 | L31-S56 WeakPolarHBondContact O-CB 3.39Å; L31-S56 PolarHBondContact O-OG 3.45Å; S56-Q58 PolarHBondContact O-N 3.04Å; S56-Q58 WeakPolarHBondContact OG-CB 3.43Å; S56-Q58 PolarHBondContact OG-N 3.13Å; S56-F59 PolarHBondContact O-N 3.5Å; S56-L90 PolarHBondContact N-O 3.22Å | ||
| 57 | A | 97 | Very high | 95.2 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -64.8 | -25.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F59 E60 | A57-F59 PolarHBondContact O-N 2.95Å; A57-E60 VanDerWaalsContact O-CB 3.24Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 3.41Å |
| 58 | Q | 96.1 | Very high | 95.9 | Very high | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -61.6 | -15.9 | 177.5 | -64.7 | -162.6 | 27.4 | 0 | 0 | 113.5 | L31 E32 S56 E60 K62 M70 | L31-Q58 VanDerWaalsContact C-NE2 3.28Å; L31-Q58 PolarHBondContact O-NE2 2.97Å; E32-Q58 PolarHBondContact OE2-NE2 3.14Å; S56-Q58 PolarHBondContact O-N 3.04Å; S56-Q58 WeakPolarHBondContact OG-CB 3.43Å; S56-Q58 PolarHBondContact OG-N 3.13Å; Q58-E60 VanDerWaalsContact C-N 3.34Å; Q58-K62 WeakPolarHBondContact O-CD 3.32Å; Q58-K62 WeakPolarHBondContact O-CE 3.46Å; Q58-M70 HydrophobicContact CB-CE 4Å |
| 59 | F | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -83.5 | -8.6 | 177.1 | -60.7 | -32.9 | 0 | 0 | 0 | 114.2 | L31 V54 S56 A57 K62 R67 M70 V71 T89 L90 T91 | L31-F59 HydrophobicContact CD1-CE1 4.44Å; L31-F59 HydrophobicContact CD1-CZ 4.07Å; V54-F59 HydrophobicContact CB-CE2 3.97Å; V54-F59 HydrophobicContact CB-CZ 4.24Å; V54-F59 HydrophobicContact CG1-CE2 3.72Å; V54-F59 HydrophobicContact CG1-CZ 3.83Å; S56-F59 PolarHBondContact O-N 3.5Å; A57-F59 PolarHBondContact O-N 2.95Å; F59-K62 PolarHBondContact O-N 3.2Å; F59-R67 HydrophobicContact CB-CG 3.88Å; F59-R67 HydrophobicContact CD1-CB 3.81Å; F59-R67 HydrophobicContact CD1-CG 3.79Å; F59-R67 HydrophobicContact CE1-CB 4.18Å; F59-R67 HydrophobicContact CG-CB 4.28Å; F59-R67 HydrophobicContact CG-CG 3.99Å; F59-R67 PolarHBondContact O-NE 3.24Å; F59-R67 PolarHBondContact O-NH2 3.28Å; F59-M70 HydrophobicContact CD1-CE 4.49Å; F59-M70 HydrophobicContact CD1-SD 4.49Å; F59-M70 HydrophobicContact CE1-CE 4.48Å; F59-V71 HydrophobicContact CE1-CG2 4.31Å; F59-V71 HydrophobicContact CZ-CG2 3.91Å; F59-T89 HydrophobicContact CE1-CG2 4.36Å; F59-T89 HydrophobicContact CE2-CG2 3.96Å; F59-T89 HydrophobicContact CZ-CG2 3.83Å; F59-L90 WeakPolarHBondContact CD2-O 3.25Å; F59-T91 HydrophobicContact CB-CG2 4.2Å |
| 60 | E | 95.9 | Very high | 96.8 | Very high | 135 Ų | 135 | 55.4 Ų | 55.4 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 138.6 | -179.9 | -169.1 | 167.5 | -163.8 | 0 | 0 | 111.7 | A57 Q58 K62 T91 | A57-E60 VanDerWaalsContact O-CB 3.24Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 3.41Å; Q58-E60 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 2.97Å; E60-T91 HydrophobicContact CB-CG2 4.27Å |
| 61 | G | 95.8 | Very high | 96.9 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 84% | 0.835 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | -7.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 62 | K | 95.9 | Very high | 96.9 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | trans | -91.1 | 139 | -179.5 | -61.8 | -179.2 | -169.1 | -87.4 | 0 | 111.5 | Q58 F59 E60 Q66 R67 M70 | Q58-K62 WeakPolarHBondContact O-CD 3.32Å; Q58-K62 WeakPolarHBondContact O-CE 3.46Å; F59-K62 PolarHBondContact O-N 3.2Å; E60-K62 PolarHBondContact O-N 2.97Å; K62-Q66 HydrophobicContact CB-CB 4.33Å; K62-Q66 HydrophobicContact CB-CG 4.41Å; K62-Q66 HydrophobicContact CD-CG 4.2Å; K62-R67 HydrophobicContact CB-CG 4.07Å; K62-R67 PolarHBondContact O-NE 2.84Å; K62-R67 PolarHBondContact O-NH2 2.87Å; K62-M70 HydrophobicContact CD-CE 4.29Å; K62-M70 HydrophobicContact CD-SD 3.36Å; K62-M70 WeakPolarHBondContact CD-SD 3.31Å; K62-M70 VanDerWaalsContact CE-SD 3.59Å | ||
| 63 | P | 96.8 | Very high | 96.9 | Very high | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | trans | -67.9 | 157.2 | 170.9 | 29.3 | -35 | 0 | 0 | 0 | 111.6 | L65 Q66 R67 | P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 3.22Å; P63-Q66 HydrophobicContact CG-CB 3.98Å; P63-Q66 WeakPolarHBondContact O-CB 3.32Å; P63-Q66 PolarHBondContact O-N 2.54Å; P63-R67 PolarHBondContact O-N 2.92Å | ||
| 64 | L | 95.3 | Very high | 96.8 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 52% | 0.518 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -51.4 | -46.2 | -175.7 | -174.9 | 66.1 | 0 | 0 | 0 | 113.2 | Q66 R67 H68 | L64-Q66 VanDerWaalsContact C-N 3.28Å; L64-Q66 PolarHBondContact O-N 2.88Å; L64-R67 WeakPolarHBondContact O-CB 3.46Å; L64-R67 PolarHBondContact O-N 2.9Å; L64-R67 VanDerWaalsContact O-N 3.14Å; L64-H68 VanDerWaalsContact CD1-NE2 3.34Å; L64-H68 WeakPolarHBondContact CD1-NE2 3.43Å; L64-H68 PolarHBondContact O-N 3.49Å |
| 65 | L | 96.9 | Very high | 96.7 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.4 | -37.7 | 179 | -179.5 | 62.4 | 0 | 0 | 0 | 112.6 | P63 R69 | P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 3.22Å; L65-R69 WeakPolarHBondContact O-CG 3.39Å; L65-R69 PolarHBondContact O-N 3.24Å |
| 66 | Q | 97.4 | Very high | 96.5 | Very high | 82 Ų | 82 | 63 Ų | 63 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | 178 | -173.7 | 178.3 | 7.5 | 0 | 0 | 111 | K62 P63 L64 R69 M70 | K62-Q66 HydrophobicContact CB-CB 4.33Å; K62-Q66 HydrophobicContact CB-CG 4.41Å; K62-Q66 HydrophobicContact CD-CG 4.2Å; P63-Q66 HydrophobicContact CG-CB 3.98Å; P63-Q66 WeakPolarHBondContact O-CB 3.32Å; P63-Q66 PolarHBondContact O-N 2.54Å; L64-Q66 VanDerWaalsContact C-N 3.28Å; L64-Q66 PolarHBondContact O-N 2.88Å; Q66-R69 PolarHBondContact O-N 3.34Å; Q66-M70 VanDerWaalsContact O-CG 3.32Å; Q66-M70 WeakPolarHBondContact O-CG 3.34Å; Q66-M70 PolarHBondContact O-N 2.68Å |
| 67 | R | 97.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 69.6 Ų | 69.6 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.8 | -56.6 | 172.3 | -172.9 | 177.3 | 5.3 | 111.2 | F59 K62 P63 L64 R69 M70 V71 T89 | F59-R67 HydrophobicContact CB-CG 3.88Å; F59-R67 HydrophobicContact CD1-CB 3.81Å; F59-R67 HydrophobicContact CD1-CG 3.79Å; F59-R67 HydrophobicContact CE1-CB 4.18Å; F59-R67 HydrophobicContact CG-CB 4.28Å; F59-R67 HydrophobicContact CG-CG 3.99Å; F59-R67 PolarHBondContact O-NE 3.24Å; F59-R67 PolarHBondContact O-NH2 3.28Å; K62-R67 HydrophobicContact CB-CG 4.07Å; K62-R67 PolarHBondContact O-NE 2.84Å; K62-R67 PolarHBondContact O-NH2 2.87Å; P63-R67 PolarHBondContact O-N 2.92Å; L64-R67 WeakPolarHBondContact O-CB 3.46Å; L64-R67 PolarHBondContact O-N 2.9Å; L64-R67 VanDerWaalsContact O-N 3.14Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-R69 PolarHBondContact O-N 2.97Å; R67-M70 WeakPolarHBondContact O-CB 3.45Å; R67-M70 PolarHBondContact O-N 2.99Å; R67-M70 VanDerWaalsContact O-N 3.14Å; R67-V71 PolarHBondContact O-N 2.86Å; R67-V71 VanDerWaalsContact O-N 3.13Å; R67-T89 HydrophobicContact CB-CG2 4.05Å; R67-T89 VanDerWaalsContact CB-OG1 3.32Å; R67-T89 WeakPolarHBondContact CB-OG1 3.48Å; R67-T89 WeakPolarHBondContact CD-OG1 2.99Å |
| 68 | H | 97.3 | Very high | 96 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 176.2 | -71.6 | -170.3 | 0 | 0 | 0 | 112 | L64 M70 V71 N72 Q87 | L64-H68 VanDerWaalsContact CD1-NE2 3.34Å; L64-H68 WeakPolarHBondContact CD1-NE2 3.43Å; L64-H68 PolarHBondContact O-N 3.49Å; H68-M70 PolarHBondContact O-N 2.9Å; H68-V71 PolarHBondContact O-N 3.41Å; H68-N72 WeakPolarHBondContact O-CB 3.24Å; H68-N72 PolarHBondContact O-N 3.44Å; H68-N72 PolarHBondContact O-OD1 3.49Å; H68-Q87 PolarHBondContact O-NE2 2.78Å |
| 69 | R | 97.6 | Very high | 95.8 | Very high | 155 Ų | 155 | 67 Ų | 67 | 59% | 0.585 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 174 | -76.8 | 177.6 | 178.6 | -179.7 | -0.1 | 112.1 | L65 Q66 R67 N72 M73 | L65-R69 WeakPolarHBondContact O-CG 3.39Å; L65-R69 PolarHBondContact O-N 3.24Å; Q66-R69 PolarHBondContact O-N 3.34Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-R69 PolarHBondContact O-N 2.97Å; R69-N72 PolarHBondContact O-N 2.83Å; R69-M73 WeakPolarHBondContact O-CB 3.34Å; R69-M73 WeakPolarHBondContact O-CG 3.26Å; R69-M73 PolarHBondContact O-N 3.16Å |
| 70 | M | 97.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 75.1 Ų | 75.1 | 17% | 0.172 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 178.2 | -69.2 | 168.9 | 64.7 | 0 | 0 | 111.7 | L31 Q58 F59 K62 Q66 R67 H68 M73 C74 | L31-M70 HydrophobicContact CD2-CB 4.2Å; L31-M70 HydrophobicContact CD2-CE 4.26Å; Q58-M70 HydrophobicContact CB-CE 4Å; F59-M70 HydrophobicContact CD1-CE 4.49Å; F59-M70 HydrophobicContact CD1-SD 4.49Å; F59-M70 HydrophobicContact CE1-CE 4.48Å; K62-M70 HydrophobicContact CD-CE 4.29Å; K62-M70 HydrophobicContact CD-SD 3.36Å; K62-M70 WeakPolarHBondContact CD-SD 3.31Å; K62-M70 VanDerWaalsContact CE-SD 3.59Å; Q66-M70 VanDerWaalsContact O-CG 3.32Å; Q66-M70 WeakPolarHBondContact O-CG 3.34Å; Q66-M70 PolarHBondContact O-N 2.68Å; R67-M70 WeakPolarHBondContact O-CB 3.45Å; R67-M70 PolarHBondContact O-N 2.99Å; R67-M70 VanDerWaalsContact O-N 3.14Å; H68-M70 PolarHBondContact O-N 2.9Å; M70-M73 PolarHBondContact O-N 3.09Å; M70-C74 PolarHBondContact O-N 3.34Å; M70-C74 VanDerWaalsContact O-N 3.09Å |
| 71 | V | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L27 L31 V54 F59 R67 H68 M73 C74 L75 F85 T89 | L27-V71 HydrophobicContact CD2-CG1 3.89Å; L31-V71 HydrophobicContact CD1-CB 4.45Å; L31-V71 HydrophobicContact CD1-CG2 3.71Å; V54-V71 HydrophobicContact CG2-CG2 4.47Å; F59-V71 HydrophobicContact CE1-CG2 4.31Å; F59-V71 HydrophobicContact CZ-CG2 3.91Å; R67-V71 PolarHBondContact O-N 2.86Å; R67-V71 VanDerWaalsContact O-N 3.13Å; H68-V71 PolarHBondContact O-N 3.41Å; V71-M73 VanDerWaalsContact C-N 3.28Å; V71-M73 PolarHBondContact O-N 3.01Å; V71-C74 WeakPolarHBondContact O-CB 3.2Å; V71-C74 PolarHBondContact O-N 3.42Å; V71-C74 VanDerWaalsContact O-N 3.16Å; V71-L75 HydrophobicContact CG1-CD1 4.15Å; V71-L75 PolarHBondContact O-N 2.86Å; V71-F85 HydrophobicContact CG1-CE1 4.06Å; V71-F85 HydrophobicContact CG1-CZ 4.13Å; V71-T89 HydrophobicContact CG2-CG2 3.74Å |
| 72 | N | 96.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 179.5 | -70.6 | 3.3 | 0 | 0 | 0 | 112.7 | H68 R69 L75 A76 L79 Q87 | H68-N72 WeakPolarHBondContact O-CB 3.24Å; H68-N72 PolarHBondContact O-N 3.44Å; H68-N72 PolarHBondContact O-OD1 3.49Å; R69-N72 PolarHBondContact O-N 2.83Å; N72-L75 CarbonylContact O-C 3.47Å; N72-L75 PolarHBondContact O-N 3.5Å; N72-A76 VanDerWaalsContact O-CA 3.26Å; N72-A76 WeakPolarHBondContact O-CA 3.02Å; N72-A76 PolarHBondContact O-N 3.36Å; N72-L79 HydrophobicContact CB-CD1 4Å; N72-Q87 PolarHBondContact OD1-NE2 3.02Å |
| 73 | M | 96.3 | Very high | 94.5 | Very high | 149 Ų | 149 | 72.5 Ų | 72.5 | 73% | 0.734 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.2 | -40.8 | 175.1 | -75.7 | 174.5 | 65.4 | 0 | 0 | 111.5 | R69 M70 V71 L75 A76 | R69-M73 WeakPolarHBondContact O-CB 3.34Å; R69-M73 WeakPolarHBondContact O-CG 3.26Å; R69-M73 PolarHBondContact O-N 3.16Å; M70-M73 PolarHBondContact O-N 3.09Å; V71-M73 VanDerWaalsContact C-N 3.28Å; V71-M73 PolarHBondContact O-N 3.01Å; M73-L75 VanDerWaalsContact C-N 3.29Å; M73-L75 PolarHBondContact O-N 3.14Å; M73-A76 WeakPolarHBondContact O-CB 3.43Å; M73-A76 PolarHBondContact O-N 2.84Å |
| 74 | C | 95.5 | Very high | 94.3 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 12% | 0.122 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | K26 L27 E30 M70 V71 | K26-C74 WeakPolarHBondContact CE-O 3.32Å; K26-C74 PolarHBondContact NZ-O 2.83Å; L27-C74 HydrophobicContact CD2-CB 4.45Å; E30-C74 VanDerWaalsContact CB-SG 3.57Å; M70-C74 PolarHBondContact O-N 3.34Å; M70-C74 VanDerWaalsContact O-N 3.09Å; V71-C74 WeakPolarHBondContact O-CB 3.2Å; V71-C74 PolarHBondContact O-N 3.42Å; V71-C74 VanDerWaalsContact O-N 3.16Å |
| 75 | L | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 20.4 | -177.7 | -57.3 | 179.1 | 0 | 0 | 0 | 113.7 | I23 K26 L27 V71 N72 M73 E77 E78 L79 F85 | I23-L75 HydrophobicContact CG2-CD1 3.94Å; I23-L75 HydrophobicContact CG2-CD2 4.33Å; K26-L75 HydrophobicContact CD-CD2 4.1Å; L27-L75 HydrophobicContact CD1-CD1 4.22Å; L27-L75 HydrophobicContact CD2-CD1 4.05Å; L27-L75 HydrophobicContact CD2-CD2 4.26Å; L27-L75 HydrophobicContact CD2-CG 4.04Å; L27-L75 HydrophobicContact CG-CD1 4.33Å; L27-L75 HydrophobicContact CG-CD2 4.28Å; L27-L75 HydrophobicContact CG-CG 4.5Å; V71-L75 HydrophobicContact CG1-CD1 4.15Å; V71-L75 PolarHBondContact O-N 2.86Å; N72-L75 CarbonylContact O-C 3.47Å; N72-L75 PolarHBondContact O-N 3.5Å; M73-L75 VanDerWaalsContact C-N 3.29Å; M73-L75 PolarHBondContact O-N 3.14Å; L75-E77 PolarHBondContact O-N 3.26Å; L75-E77 VanDerWaalsContact O-N 3.14Å; L75-E78 VanDerWaalsContact C-OE2 3.32Å; L75-E78 WeakPolarHBondContact CA-OE2 3.34Å; L75-E78 HydrophobicContact CB-CB 4.46Å; L75-E78 PolarHBondContact O-N 3.49Å; L75-L79 HydrophobicContact CB-CD1 4.26Å; L75-L79 HydrophobicContact CB-CG 4.06Å; L75-L79 WeakPolarHBondContact O-CB 3.35Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 2.99Å; L75-F85 HydrophobicContact CD1-CE1 4.31Å; L75-F85 HydrophobicContact CD1-CE2 3.78Å; L75-F85 HydrophobicContact CD1-CZ 3.47Å; L75-F85 VanDerWaalsContact CD1-CZ 3.47Å |
| 76 | A | 94.3 | Very high | 94.2 | Very high | 50 Ų | 50 | 67 Ų | 67 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N72 M73 | N72-A76 VanDerWaalsContact O-CA 3.26Å; N72-A76 WeakPolarHBondContact O-CA 3.02Å; N72-A76 PolarHBondContact O-N 3.36Å; M73-A76 WeakPolarHBondContact O-CB 3.43Å; M73-A76 PolarHBondContact O-N 2.84Å |
| 77 | E | 92.1 | Very high | 94.2 | Very high | 139 Ų | 139 | 64.4 Ų | 64.4 | 65% | 0.65 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -43 | 177.3 | -63.1 | -167.4 | 109.6 | 0 | 0 | 111.4 | L75 L79 K80 | L75-E77 PolarHBondContact O-N 3.26Å; L75-E77 VanDerWaalsContact O-N 3.14Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.9Å; E77-K80 WeakPolarHBondContact O-CB 3.35Å; E77-K80 PolarHBondContact O-N 2.91Å |
| 78 | E | 91.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -62.7 | -40.6 | 177.7 | -66.7 | 79.7 | -179.3 | 0 | 0 | 111.8 | V18 H22 K26 L75 K80 A81 I82 | V18-E78 HydrophobicContact CG1-CB 4Å; V18-E78 HydrophobicContact CG1-CG 4.05Å; V18-E78 HydrophobicContact CG2-CB 4.06Å; V18-E78 HydrophobicContact CG2-CG 4.17Å; H22-E78 IonicContact CD2-OE1 2.74Å; H22-E78 IonicContact CE1-OE1 2.86Å; H22-E78 IonicContact NE2-OE1 2.68Å; H22-E78 PolarHBondContact NE2-OE1 3.19Å; K26-E78 WeakPolarHBondContact CD-OE1 3.24Å; K26-E78 IonicContact NZ-OE1 2.83Å; K26-E78 PolarHBondContact NZ-OE1 3.34Å; K26-E78 IonicContact NZ-OE2 3.78Å; K26-E78 PolarHBondContact NZ-OE2 2.97Å; L75-E78 VanDerWaalsContact C-OE2 3.32Å; L75-E78 WeakPolarHBondContact CA-OE2 3.34Å; L75-E78 HydrophobicContact CB-CB 4.46Å; L75-E78 PolarHBondContact O-N 3.49Å; E78-K80 PolarHBondContact O-N 3.3Å; E78-K80 VanDerWaalsContact O-N 3.1Å; E78-A81 PolarHBondContact O-N 2.85Å; E78-I82 HydrophobicContact CB-CD1 4.34Å; E78-I82 WeakPolarHBondContact O-CG1 3.24Å; E78-I82 PolarHBondContact O-N 2.99Å |
| 79 | L | 92.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -62.2 | -17.6 | 178.2 | -74.1 | 174.6 | 0 | 0 | 0 | 113.5 | N72 L75 E77 A81 I82 F85 | N72-L79 HydrophobicContact CB-CD1 4Å; L75-L79 HydrophobicContact CB-CD1 4.26Å; L75-L79 HydrophobicContact CB-CG 4.06Å; L75-L79 WeakPolarHBondContact O-CB 3.35Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 2.99Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.9Å; L79-A81 PolarHBondContact O-N 3.35Å; L79-I82 HydrophobicContact CD2-CD1 4.2Å; L79-F85 HydrophobicContact CD2-CB 3.57Å; L79-F85 HydrophobicContact CD2-CD1 3.8Å; L79-F85 HydrophobicContact CD2-CD2 3.92Å; L79-F85 HydrophobicContact CD2-CE1 4.46Å; L79-F85 HydrophobicContact CD2-CG 3.5Å; L79-F85 VanDerWaalsContact CD2-CG 3.5Å |
| 80 | K | 91.1 | Very high | 94.1 | Very high | 171 Ų | 171 | 58.3 Ų | 58.3 | 74% | 0.743 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -70.2 | -25 | 172.1 | -61.3 | 173.2 | -174.8 | 170 | 0 | 112.3 | E77 E78 | E77-K80 WeakPolarHBondContact O-CB 3.35Å; E77-K80 PolarHBondContact O-N 2.91Å; E78-K80 PolarHBondContact O-N 3.3Å; E78-K80 VanDerWaalsContact O-N 3.1Å |
| 81 | A | 88.6 | Confident | 94 | Very high | 52 Ų | 52 | 57 Ų | 57 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -13.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | V18 E78 L79 | V18-A81 HydrophobicContact CG2-CB 4.14Å; E78-A81 PolarHBondContact O-N 2.85Å; L79-A81 PolarHBondContact O-N 3.35Å |
| 82 | I | 89.8 | Confident | 93.9 | Very high | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | trans | -91.3 | 126.8 | 178.3 | -61.7 | 167.2 | 0 | 0 | 0 | 109.3 | V18 I23 F50 E78 L79 A84 F85 | V18-I82 HydrophobicContact CG1-CD1 4.13Å; V18-I82 HydrophobicContact CG1-CG1 4.43Å; I23-I82 HydrophobicContact CD1-CD1 4.06Å; F50-I82 HydrophobicContact CD2-CD1 3.76Å; F50-I82 HydrophobicContact CD2-CG1 3.78Å; F50-I82 HydrophobicContact CD2-CG2 3.94Å; F50-I82 HydrophobicContact CE2-CD1 4.19Å; F50-I82 HydrophobicContact CE2-CG1 3.89Å; E78-I82 HydrophobicContact CB-CD1 4.34Å; E78-I82 WeakPolarHBondContact O-CG1 3.24Å; E78-I82 PolarHBondContact O-N 2.99Å; L79-I82 HydrophobicContact CD2-CD1 4.2Å; I82-A84 WeakPolarHBondContact CG2-O 3.39Å; I82-F85 HydrophobicContact CD1-CD2 4.26Å; I82-F85 HydrophobicContact CG2-CB 4.06Å | ||
| 83 | H | 88.6 | Confident | 93.8 | Very high | 152 Ų | 152 | 61 Ų | 61 | 70% | 0.704 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -78.3 | -42.7 | 177.7 | -175.8 | 77.2 | 0 | 0 | 0 | 112.2 | A47 A48 | A47-H83 HydrophobicContact CB-CB 3.58Å; A48-H83 PolarHBondContact O-N 3.4Å |
| 84 | A | 91.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A48 S49 F50 I82 | A48-A84 PolarHBondContact O-N 2.87Å; S49-A84 CarbonylContact C-O 3.46Å; S49-A84 VanDerWaalsContact CA-O 3.25Å; S49-A84 WeakPolarHBondContact CA-O 3.34Å; F50-A84 PolarHBondContact N-O 2.86Å; I82-A84 WeakPolarHBondContact CG2-O 3.39Å |
| 85 | F | 94.7 | Very high | 93.6 | Very high | 46 Ų | 46 | 59.7 Ų | 59.7 | 20% | 0.202 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 110.1 | 179.5 | -174 | -103.2 | 0 | 0 | 0 | 109.9 | F50 V52 V71 L75 L79 I82 Q87 | F50-F85 HydrophobicContact CB-CD2 4.15Å; F50-F85 HydrophobicContact CB-CE2 4.47Å; F50-F85 WeakPolarHBondContact O-CA 3.27Å; V52-F85 HydrophobicContact CB-CE2 4.26Å; V52-F85 HydrophobicContact CB-CZ 4.09Å; V52-F85 HydrophobicContact CG2-CD2 4.38Å; V52-F85 HydrophobicContact CG2-CE2 3.42Å; V52-F85 VanDerWaalsContact CG2-CE2 3.42Å; V52-F85 HydrophobicContact CG2-CZ 3.74Å; V71-F85 HydrophobicContact CG1-CE1 4.06Å; V71-F85 HydrophobicContact CG1-CZ 4.13Å; L75-F85 HydrophobicContact CD1-CE1 4.31Å; L75-F85 HydrophobicContact CD1-CE2 3.78Å; L75-F85 HydrophobicContact CD1-CZ 3.47Å; L75-F85 VanDerWaalsContact CD1-CZ 3.47Å; L79-F85 HydrophobicContact CD2-CB 3.57Å; L79-F85 HydrophobicContact CD2-CD1 3.8Å; L79-F85 HydrophobicContact CD2-CD2 3.92Å; L79-F85 HydrophobicContact CD2-CE1 4.46Å; L79-F85 HydrophobicContact CD2-CG 3.5Å; L79-F85 VanDerWaalsContact CD2-CG 3.5Å; I82-F85 HydrophobicContact CD1-CD2 4.26Å; I82-F85 HydrophobicContact CG2-CB 4.06Å; F85-Q87 HydrophobicContact CD1-CB 4.35Å; F85-Q87 HydrophobicContact CE1-CB 3.73Å; F85-Q87 HydrophobicContact CE1-CG 4.17Å; F85-Q87 HydrophobicContact CZ-CB 4.33Å |
| 86 | E | 95.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 63.1 Ų | 63.1 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.5 | 170.8 | -176.2 | 173.1 | 119.7 | 0 | 0 | 109.1 | F50 K51 V52 | F50-E86 PolarHBondContact O-N 2.8Å; K51-E86 CarbonylContact C-O 3.58Å; K51-E86 WeakPolarHBondContact CA-O 3.05Å; K51-E86 HydrophobicContact CB-CB 4.35Å; K51-E86 WeakPolarHBondContact CD-OE1 3.35Å; K51-E86 WeakPolarHBondContact CE-OE1 3.37Å; K51-E86 HydrophobicContact CG-CB 4.27Å; K51-E86 HydrophobicContact CG-CG 4.34Å; K51-E86 IonicContact NZ-OE1 2.67Å; K51-E86 PolarHBondContact NZ-OE1 3.16Å; V52-E86 PolarHBondContact N-O 3.11Å |
| 87 | Q | 96.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145 | 178.1 | 61.3 | 178.5 | -31.1 | 0 | 0 | 112 | V52 H68 N72 F85 | V52-Q87 CarbonylContact O-C 3.56Å; V52-Q87 VanDerWaalsContact O-CA 3.25Å; V52-Q87 WeakPolarHBondContact O-CA 3.37Å; H68-Q87 PolarHBondContact O-NE2 2.78Å; N72-Q87 PolarHBondContact OD1-NE2 3.02Å; F85-Q87 HydrophobicContact CD1-CB 4.35Å; F85-Q87 HydrophobicContact CE1-CB 3.73Å; F85-Q87 HydrophobicContact CE1-CG 4.17Å; F85-Q87 HydrophobicContact CZ-CB 4.33Å |
| 88 | K | 97.1 | Very high | 93 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.4 | 170.7 | -174.4 | 168 | 178.2 | -175.2 | 0 | 109.2 | V52 L53 V54 L90 M98 | V52-K88 PolarHBondContact O-N 3.39Å; L53-K88 WeakPolarHBondContact CA-O 3.35Å; L53-K88 HydrophobicContact CD1-CB 4.15Å; L53-K88 HydrophobicContact CD1-CD 3.89Å; L53-K88 HydrophobicContact CD1-CG 4.06Å; V54-K88 PolarHBondContact N-O 3.1Å; K88-L90 HydrophobicContact CG-CD2 4.35Å; K88-L90 HydrophobicContact CG-CG 4.24Å; K88-M98 VanDerWaalsContact NZ-CE 3.34Å |
| 89 | T | 97.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.7 | -178.3 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | V54 F59 R67 V71 | V54-T89 WeakPolarHBondContact O-CA 3.34Å; F59-T89 HydrophobicContact CE1-CG2 4.36Å; F59-T89 HydrophobicContact CE2-CG2 3.96Å; F59-T89 HydrophobicContact CZ-CG2 3.83Å; R67-T89 HydrophobicContact CB-CG2 4.05Å; R67-T89 VanDerWaalsContact CB-OG1 3.32Å; R67-T89 WeakPolarHBondContact CB-OG1 3.48Å; R67-T89 WeakPolarHBondContact CD-OG1 2.99Å; V71-T89 HydrophobicContact CG2-CG2 3.74Å |
| 90 | L | 96.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 150.3 | -177.6 | -61.3 | 178.1 | 0 | 0 | 0 | 111.5 | L53 V54 V55 S56 F59 K88 H94 W95 M98 | L53-L90 HydrophobicContact CD1-CD1 3.88Å; V54-L90 PolarHBondContact O-N 3.18Å; V55-L90 VanDerWaalsContact CA-O 3.29Å; V55-L90 WeakPolarHBondContact CA-O 3.13Å; V55-L90 HydrophobicContact CG2-CB 4.41Å; S56-L90 PolarHBondContact N-O 3.22Å; F59-L90 WeakPolarHBondContact CD2-O 3.25Å; K88-L90 HydrophobicContact CG-CD2 4.35Å; K88-L90 HydrophobicContact CG-CG 4.24Å; L90-H94 HydrophobicContact CB-CB 4.45Å; L90-H94 HydrophobicContact CD2-CB 4.32Å; L90-W95 HydrophobicContact CD1-CE3 3.58Å; L90-W95 HydrophobicContact CD1-CZ3 4.22Å; L90-M98 HydrophobicContact CD1-SD 3.87Å |
| 91 | T | 96.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 76.7 Ų | 76.7 | 5% | 0.049 | 37% | 0.372 | C | S | . | . | trans | -81.5 | 158.2 | 164.5 | 60.6 | 0 | 0 | 0 | 0 | 109.2 | F59 E60 E93 H94 W95 | F59-T91 HydrophobicContact CB-CG2 4.2Å; E60-T91 HydrophobicContact CB-CG2 4.27Å; T91-E93 PolarHBondContact O-N 3.2Å; T91-H94 PolarHBondContact O-N 3.06Å; T91-H94 VanDerWaalsContact O-N 3.1Å; T91-H94 PolarHBondContact OG1-N 2.9Å; T91-H94 PolarHBondContact OG1-ND1 3.15Å; T91-W95 PolarHBondContact O-N 2.8Å | ||
| 92 | P | 95.1 | Very high | 90 | Very high | 40 Ų | 40 | 78 Ų | 78 | 26% | 0.26 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -51.9 | -42.5 | 174.7 | -27.7 | 35.7 | 0 | 0 | 0 | 112.6 | V34 V55 H94 W95 D96 | V34-P92 HydrophobicContact CG2-CG 4.07Å; V55-P92 HydrophobicContact CG1-CB 4.42Å; V55-P92 HydrophobicContact CG1-CG 4.24Å; P92-H94 PolarHBondContact O-N 2.9Å; P92-W95 WeakPolarHBondContact O-CB 3.47Å; P92-W95 PolarHBondContact O-N 3.03Å; P92-D96 PolarHBondContact O-N 3.19Å |
| 93 | E | 93.5 | Very high | 90 | Very high | 108 Ų | 108 | 81.2 Ų | 81.2 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 177.4 | -166.6 | -163.2 | 157 | 0 | 0 | 113 | T91 W95 D96 K97 | T91-E93 PolarHBondContact O-N 3.2Å; E93-W95 VanDerWaalsContact C-N 3.33Å; E93-D96 PolarHBondContact O-N 2.91Å; E93-K97 WeakPolarHBondContact O-CG 3.05Å; E93-K97 PolarHBondContact O-N 3.11Å; E93-K97 WeakPolarHBondContact OE1-CE 3.34Å; E93-K97 IonicContact OE1-NZ 3.86Å; E93-K97 PolarHBondContact OE1-NZ 3.46Å |
| 94 | H | 92.5 | Very high | 90 | Very high | 83 Ų | 83 | 77.3 Ų | 77.3 | 38% | 0.384 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 176.4 | -71.1 | 131.1 | 0 | 0 | 0 | 111.6 | L90 T91 P92 K97 M98 | L90-H94 HydrophobicContact CB-CB 4.45Å; L90-H94 HydrophobicContact CD2-CB 4.32Å; T91-H94 PolarHBondContact O-N 3.06Å; T91-H94 VanDerWaalsContact O-N 3.1Å; T91-H94 PolarHBondContact OG1-N 2.9Å; T91-H94 PolarHBondContact OG1-ND1 3.15Å; P92-H94 PolarHBondContact O-N 2.9Å; H94-K97 PolarHBondContact O-N 3.24Å; H94-M98 WeakPolarHBondContact O-CG 3.43Å; H94-M98 PolarHBondContact O-N 2.96Å; H94-M98 VanDerWaalsContact O-N 3.11Å |
| 95 | W | 94.3 | Very high | 89.9 | Confident | 57 Ų | 57 | 80.2 Ų | 80.2 | 22% | 0.216 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 178.1 | -177.6 | -125.5 | 0 | 0 | 0 | 112.2 | H35 L53 V55 L90 T91 P92 E93 K97 M98 K99 | H35-W95 AromaticContact CD2-CZ2 3.89Å; H35-W95 AromaticContact NE2-CZ2 3.73Å; L53-W95 HydrophobicContact CD1-CE3 4.44Å; L53-W95 HydrophobicContact CD1-CH2 4.46Å; L53-W95 HydrophobicContact CD1-CZ3 3.86Å; L53-W95 HydrophobicContact CD2-CD2 4.43Å; L53-W95 HydrophobicContact CD2-CE3 4.04Å; L53-W95 HydrophobicContact CD2-CH2 3.5Å; L53-W95 HydrophobicContact CD2-CZ2 3.94Å; L53-W95 HydrophobicContact CD2-CZ3 3.56Å; L53-W95 HydrophobicContact CG-CZ3 4.36Å; V55-W95 HydrophobicContact CG1-CB 3.79Å; V55-W95 HydrophobicContact CG1-CG 4.16Å; V55-W95 HydrophobicContact CG2-CB 3.99Å; V55-W95 HydrophobicContact CG2-CD2 3.93Å; V55-W95 HydrophobicContact CG2-CE3 4.47Å; V55-W95 HydrophobicContact CG2-CG 3.71Å; L90-W95 HydrophobicContact CD1-CE3 3.58Å; L90-W95 HydrophobicContact CD1-CZ3 4.22Å; T91-W95 PolarHBondContact O-N 2.8Å; P92-W95 WeakPolarHBondContact O-CB 3.47Å; P92-W95 PolarHBondContact O-N 3.03Å; E93-W95 VanDerWaalsContact C-N 3.33Å; W95-K97 PolarHBondContact O-N 3.14Å; W95-M98 HydrophobicContact CE3-CB 4.47Å; W95-M98 PolarHBondContact O-N 3.05Å; W95-K99 HydrophobicContact CD2-CG 4.43Å; W95-K99 HydrophobicContact CZ2-CD 4.42Å; W95-K99 HydrophobicContact CZ2-CG 4.37Å; W95-K99 PolarHBondContact O-N 3.48Å; W95-K99 VanDerWaalsContact O-N 3.07Å |
| 96 | D | 92 | Very high | 89.7 | Confident | 71 Ų | 71 | 82.3 Ų | 82.3 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 177 | -72.4 | -27.9 | 0 | 0 | 0 | 112.4 | P92 E93 M98 K99 Q100 | P92-D96 PolarHBondContact O-N 3.19Å; E93-D96 PolarHBondContact O-N 2.91Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact O-N 3.1Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 WeakPolarHBondContact OD1-CE 2.95Å; D96-K99 IonicContact OD1-NZ 2.72Å; D96-K99 PolarHBondContact OD1-NZ 2.99Å; D96-Q100 WeakPolarHBondContact O-CG 3.24Å; D96-Q100 PolarHBondContact O-N 3.13Å |
| 97 | K | 91.2 | Very high | 89.2 | Confident | 108 Ų | 108 | 81 Ų | 81 | 47% | 0.47 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 173.7 | -71.2 | 175.8 | -172.5 | 168.7 | 0 | 112.6 | E93 H94 W95 | E93-K97 WeakPolarHBondContact O-CG 3.05Å; E93-K97 PolarHBondContact O-N 3.11Å; E93-K97 WeakPolarHBondContact OE1-CE 3.34Å; E93-K97 IonicContact OE1-NZ 3.86Å; E93-K97 PolarHBondContact OE1-NZ 3.46Å; H94-K97 PolarHBondContact O-N 3.24Å; W95-K97 PolarHBondContact O-N 3.14Å |
| 98 | M | 87.4 | Confident | 88.7 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.8 | -35.5 | 178.3 | -75.8 | -162.1 | 74 | 0 | 0 | 113 | K88 L90 H94 W95 D96 Q100 | K88-M98 VanDerWaalsContact NZ-CE 3.34Å; L90-M98 HydrophobicContact CD1-SD 3.87Å; H94-M98 WeakPolarHBondContact O-CG 3.43Å; H94-M98 PolarHBondContact O-N 2.96Å; H94-M98 VanDerWaalsContact O-N 3.11Å; W95-M98 HydrophobicContact CE3-CB 4.47Å; W95-M98 PolarHBondContact O-N 3.05Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact O-N 3.1Å; M98-Q100 VanDerWaalsContact C-N 3.25Å; M98-Q100 PolarHBondContact O-N 3.47Å |
| 99 | K | 83 | Confident | 88.1 | Confident | 119 Ų | 119 | 84.3 Ų | 84.3 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.5 | -17.7 | 178.2 | -72.4 | -179 | -66.7 | 175.2 | 0 | 114.1 | W95 D96 Q101 | W95-K99 HydrophobicContact CD2-CG 4.43Å; W95-K99 HydrophobicContact CZ2-CD 4.42Å; W95-K99 HydrophobicContact CZ2-CG 4.37Å; W95-K99 PolarHBondContact O-N 3.48Å; W95-K99 VanDerWaalsContact O-N 3.07Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 WeakPolarHBondContact OD1-CE 2.95Å; D96-K99 IonicContact OD1-NZ 2.72Å; D96-K99 PolarHBondContact OD1-NZ 2.99Å; K99-Q101 VanDerWaalsContact C-N 3.35Å |
| 100 | Q | 72.8 | Confident | 87.3 | Confident | 162 Ų | 162 | 91 Ų | 91 | 76% | 0.757 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.9 | -177.6 | -69.1 | 173.6 | 27.3 | 0 | 0 | 113 | D96 M98 | D96-Q100 WeakPolarHBondContact O-CG 3.24Å; D96-Q100 PolarHBondContact O-N 3.13Å; M98-Q100 VanDerWaalsContact C-N 3.25Å; M98-Q100 PolarHBondContact O-N 3.47Å |
| 101 | Q | 53.2 | Low | 86.5 | Confident | 229 Ų | 229 | 97.6 Ų | 97.6 | 100% | 1.07 | 46% | 0.459 | S | S | * | . | trans | -109.1 | 0 | 173.7 | -80.7 | 172.6 | 44.3 | 0 | 0 | 110 | K99 | K99-Q101 VanDerWaalsContact C-N 3.35Š|
Retrieved 101 of 101 residues in 61.6 ms
(Link to these results)