| 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 | 40.6 | Very low | 55.2 | Low | 243 Ų | 243 | 153.6 Ų | 153.6 | 100% | 1.197 | 86% | 0.862 | S | S | * | * | 0 | 97.1 | 0 | -69.4 | -174.8 | -103.2 | 0 | 0 | 107.8 | |||||
| 2 | A | 41.8 | Very low | 55.4 | Low | 106 Ų | 106 | 150.6 Ų | 150.6 | 88% | 0.876 | 86% | 0.856 | S | S | * | * | trans | -77.9 | 123.2 | -176 | 0 | 0 | 0 | 0 | 0 | 109.6 | A4 | A2-A4 PolarHBondContact O-N 3.16Š| ||
| 3 | R | 47.2 | Very low | 55.9 | Low | 243 Ų | 243 | 151.5 Ų | 151.5 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | trans | -74.7 | 112.2 | 174 | -73.8 | -179.7 | 170.6 | -176 | -3.2 | 108.3 | L5 | R3-L5 PolarHBondContact O-N 3.44Š| ||
| 4 | A | 51.8 | Low | 56.1 | Low | 93 Ų | 93 | 146.7 Ų | 146.7 | 77% | 0.769 | 85% | 0.845 | S | S | * | * | trans | -69.8 | 112.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | A2 L6 | A2-A4 PolarHBondContact O-N 3.16Å; A4-L6 PolarHBondContact O-N 3.3Å | ||
| 5 | L | 55.8 | Low | 56.4 | Low | 164 Ų | 164 | 143.2 Ų | 143.2 | 86% | 0.859 | 84% | 0.84 | S | S | * | * | trans | -74.7 | 103.7 | 168.7 | -78.6 | 157.9 | 0 | 0 | 0 | 107.8 | R3 L7 | R3-L5 PolarHBondContact O-N 3.44Å; L5-L7 PolarHBondContact O-N 3.15Å | ||
| 6 | L | 55.9 | Low | 56.4 | Low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | trans | -73.9 | 99.4 | 169.3 | -78.1 | 161.1 | 0 | 0 | 0 | 108.5 | A4 S8 | A4-L6 PolarHBondContact O-N 3.3Å; L6-S8 PolarHBondContact O-N 3.34Å; L6-S8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | L | 57.6 | Low | 56.5 | Low | 166 Ų | 166 | 140.5 Ų | 140.5 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | -70.7 | 98.3 | 164.9 | -79.2 | 156.9 | 0 | 0 | 0 | 108.1 | L5 L9 | L5-L7 PolarHBondContact O-N 3.15Å; L7-L9 PolarHBondContact O-N 3.21Å; L7-L9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | S | 63.3 | Low | 56.7 | Low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -70.2 | 105.4 | 170.7 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | L6 V10 | L6-S8 PolarHBondContact O-N 3.34Å; L6-S8 VanDerWaalsContact O-N 3.15Å; S8-V10 PolarHBondContact O-N 3.01Å | ||
| 9 | L | 61.4 | Low | 57.2 | Low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -64.5 | 98.8 | 166.6 | -82.4 | 149 | 0 | 0 | 0 | 108.6 | L7 S11 | L7-L9 PolarHBondContact O-N 3.21Å; L7-L9 VanDerWaalsContact O-N 3.17Å; L9-S11 PolarHBondContact O-N 3.33Å | ||
| 10 | V | 65.1 | Low | 58.8 | Low | 129 Ų | 129 | 131.9 Ų | 131.9 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 95.4 | 167.9 | 177.9 | 0 | 0 | 0 | 0 | 107 | S8 C12 | S8-V10 PolarHBondContact O-N 3.01Å; V10-C12 PolarHBondContact O-N 3.12Å | ||
| 11 | S | 66.6 | Low | 60.6 | Low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 109.3 | 169.2 | -169.9 | 0 | 0 | 0 | 0 | 108.1 | L9 L13 | L9-S11 PolarHBondContact O-N 3.33Å; S11-L13 PolarHBondContact O-N 3.04Å; S11-L13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | C | 58.4 | Low | 63.3 | Low | 117 Ų | 117 | 120.4 Ų | 120.4 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -75.5 | 95.6 | 177.5 | -148 | 0 | 0 | 0 | 0 | 108.2 | V10 A14 | V10-C12 PolarHBondContact O-N 3.12Å; C12-A14 VanDerWaalsContact C-N 3.29Å; C12-A14 PolarHBondContact O-N 3.33Å | ||
| 13 | L | 60.8 | Low | 65.9 | Low | 162 Ų | 162 | 123.7 Ų | 123.7 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | trans | -68.5 | 92.5 | 164.7 | -84.8 | 120.6 | 0 | 0 | 0 | 107.7 | S11 A15 | S11-L13 PolarHBondContact O-N 3.04Å; S11-L13 VanDerWaalsContact O-N 3.1Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.38Å | ||
| 14 | A | 58.9 | Low | 68.4 | Low | 85 Ų | 85 | 115.5 Ų | 115.5 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | trans | -66.6 | 96.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | C12 V16 | C12-A14 VanDerWaalsContact C-N 3.29Å; C12-A14 PolarHBondContact O-N 3.33Å; A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.97Å | ||
| 15 | A | 60.5 | Low | 70.6 | Confident | 94 Ų | 94 | 112.7 Ų | 112.7 | 78% | 0.777 | 66% | 0.658 | S | S | * | * | trans | -63.1 | 101.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | L13 S17 | L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.38Å; A15-S17 PolarHBondContact O-N 2.83Å | ||
| 16 | V | 57.4 | Low | 72.6 | Confident | 124 Ų | 124 | 107.8 Ų | 107.8 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | -64.2 | 101.8 | 170 | 177.1 | 0 | 0 | 0 | 0 | 105.9 | A14 Q18 | A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.97Å; V16-Q18 VanDerWaalsContact C-N 3.27Å; V16-Q18 PolarHBondContact O-N 3.44Å | ||
| 17 | S | 56.9 | Low | 74.6 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | trans | -69.1 | 92.9 | 169.5 | 62.6 | 0 | 0 | 0 | 0 | 107.2 | A15 A19 | A15-S17 PolarHBondContact O-N 2.83Å; S17-A19 PolarHBondContact O-N 3Å | ||
| 18 | Q | 60.5 | Low | 76.6 | Confident | 126 Ų | 126 | 91.7 Ų | 91.7 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | trans | -70.8 | 124.7 | 176.4 | -157.3 | 162 | 52.9 | 0 | 0 | 108.1 | V16 S20 P104 | V16-Q18 VanDerWaalsContact C-N 3.27Å; V16-Q18 PolarHBondContact O-N 3.44Å; Q18-S20 PolarHBondContact O-N 2.03Å; Q18-P104 VanDerWaalsContact CD-CG 3.47Å; Q18-P104 HydrophobicContact CG-CB 4.41Å | ||
| 19 | A | 66.6 | Low | 78.3 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | trans | -62.7 | 121.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | S17 L21 | S17-A19 PolarHBondContact O-N 3Å; A19-L21 VanDerWaalsContact C-N 3.29Å | ||
| 20 | S | 88.6 | Confident | 80 | Confident | 42 Ų | 42 | 84.6 Ų | 84.6 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | trans | -79.7 | -10.9 | 178.9 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | Q18 N58 I59 S60 | Q18-S20 PolarHBondContact O-N 2.03Å; S20-N58 WeakPolarHBondContact CB-OD1 3.44Å; S20-N58 CarbonylContact O-C 3.58Å; S20-N58 WeakPolarHBondContact O-CA 3.1Å; S20-N58 PolarHBondContact O-OD1 2.99Å; S20-I59 WeakPolarHBondContact O-CB 3.17Å; S20-I59 PolarHBondContact O-N 3.1Å; S20-S60 WeakPolarHBondContact CB-OG 3.47Å | ||
| 21 | L | 96.5 | Very high | 81.6 | Confident | 106 Ų | 106 | 78.4 Ų | 78.4 | 56% | 0.555 | 46% | 0.463 | S | S | * | . | B | Isolated β-bridge | trans | -98 | 121.5 | 179.7 | -65 | 173.2 | 0 | 0 | 0 | 110.6 | A19 F57 N58 | A19-L21 VanDerWaalsContact C-N 3.29Å; L21-F57 WeakPolarHBondContact CA-O 3.4Å; L21-N58 HydrophobicContact CD2-CB 3.77Å |
| 22 | I | 97.3 | Very high | 83.2 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 14% | 0.144 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 141.2 | 170.6 | -168.8 | 164.2 | 0 | 0 | 0 | 110.5 | D26 L27 F57 I59 I74 L106 | I22-D26 HydrophobicContact CD1-CB 4.34Å; I22-D26 HydrophobicContact CG1-CB 3.97Å; I22-L27 HydrophobicContact CD1-CB 3.89Å; I22-L27 HydrophobicContact CD1-CD1 4.19Å; I22-L27 HydrophobicContact CG1-CB 4.07Å; I22-L27 HydrophobicContact CG2-CB 4.03Å; I22-L27 HydrophobicContact CG2-CD1 4.44Å; I22-L27 HydrophobicContact CG2-CD2 4.25Å; I22-L27 HydrophobicContact CG2-CG 4.48Å; I22-F57 HydrophobicContact CG2-CB 4.03Å; I22-F57 PolarHBondContact N-O 2.92Å; I22-F57 VanDerWaalsContact N-O 3.07Å; I22-F57 VanDerWaalsContact O-CB 3.31Å; I22-F57 WeakPolarHBondContact O-CB 3.49Å; I22-I59 HydrophobicContact CB-CD1 3.77Å; I22-I59 HydrophobicContact CB-CG1 4.14Å; I22-I59 HydrophobicContact CG2-CD1 4.26Å; I22-I59 HydrophobicContact CG2-CG1 4.08Å; I22-I74 HydrophobicContact CG2-CD1 3.56Å; I22-L106 HydrophobicContact CD1-CD1 4.15Å |
| 23 | R | 97.4 | Very high | 85.1 | Confident | 175 Ų | 175 | 76.9 Ų | 76.9 | 66% | 0.66 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 144.2 | 174 | -58.9 | -179.6 | -63.1 | -178.7 | 5.5 | 109.4 | C25 D26 L27 | R23-C25 VanDerWaalsContact C-N 3.34Å; R23-C25 PolarHBondContact O-N 3.44Å; R23-D26 HydrophobicContact CB-CB 4.42Å; R23-D26 WeakPolarHBondContact CB-OD2 3.35Å; R23-D26 IonicContact CZ-OD1 3.7Å; R23-D26 IonicContact CZ-OD2 3.2Å; R23-D26 IonicContact NE-OD1 3.73Å; R23-D26 IonicContact NE-OD2 2.68Å; R23-D26 PolarHBondContact NE-OD2 3.41Å; R23-D26 VanDerWaalsContact NH2-CG 3.3Å; R23-D26 IonicContact NH2-OD1 2.91Å; R23-D26 PolarHBondContact NH2-OD1 2.99Å; R23-D26 IonicContact NH2-OD2 2.87Å; R23-D26 PolarHBondContact NH2-OD2 3.01Å; R23-D26 PolarHBondContact O-N 3.36Å; R23-L27 PolarHBondContact O-N 3.4Å |
| 24 | R | 98.3 | Very high | 86.9 | Confident | 71 Ų | 71 | 72 Ų | 72 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -46.4 | -50.1 | -179.5 | 177.8 | -177.3 | 59.3 | 96.9 | -1.6 | 113.9 | L27 A28 L48 F57 W141 T143 C145 | R24-L27 PolarHBondContact O-N 2.94Å; R24-A28 PolarHBondContact O-N 3.21Å; R24-L48 HydrophobicContact CG-CD1 4.23Å; R24-L48 HydrophobicContact CG-CD2 4.28Å; R24-L48 WeakPolarHBondContact O-CD2 3.47Å; R24-F57 HydrophobicContact CB-CE2 4.2Å; R24-F57 HydrophobicContact CB-CZ 4.22Å; R24-F57 HydrophobicContact CG-CZ 4.27Å; R24-W141 WeakPolarHBondContact CD-O 3.42Å; R24-W141 HydrophobicContact CG-CE3 4.23Å; R24-W141 PolarHBondContact NH1-O 3.17Å; R24-T143 PolarHBondContact NH1-O 3.13Å; R24-T143 PolarHBondContact NH2-O 3.47Å; R24-C145 PolarHBondContact NH1-SG 3.19Å |
| 25 | C | 98.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 74 Ų | 74 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.4 | -26.3 | -177.4 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | R23 A28 K29 C145 | R23-C25 VanDerWaalsContact C-N 3.34Å; R23-C25 PolarHBondContact O-N 3.44Å; C25-A28 PolarHBondContact O-N 3.18Å; C25-K29 PolarHBondContact O-N 3.18Å; C25-C145 WeakPolarHBondContact CA-SG 3.26Å; C25-C145 HydrophobicContact CB-CB 3.72Å; C25-C145 WeakPolarHBondContact CB-SG 3.3Å; C25-C145 WeakPolarHBondContact SG-CA 3.44Å; C25-C145 WeakPolarHBondContact SG-CB 3.39Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.35Å |
| 26 | D | 98.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 69.5 Ų | 69.5 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 171.9 | -61.3 | -20.9 | 0 | 0 | 0 | 109.7 | I22 R23 A28 K29 V30 | I22-D26 HydrophobicContact CD1-CB 4.34Å; I22-D26 HydrophobicContact CG1-CB 3.97Å; R23-D26 HydrophobicContact CB-CB 4.42Å; R23-D26 WeakPolarHBondContact CB-OD2 3.35Å; R23-D26 IonicContact CZ-OD1 3.7Å; R23-D26 IonicContact CZ-OD2 3.2Å; R23-D26 IonicContact NE-OD1 3.73Å; R23-D26 IonicContact NE-OD2 2.68Å; R23-D26 PolarHBondContact NE-OD2 3.41Å; R23-D26 VanDerWaalsContact NH2-CG 3.3Å; R23-D26 IonicContact NH2-OD1 2.91Å; R23-D26 PolarHBondContact NH2-OD1 2.99Å; R23-D26 IonicContact NH2-OD2 2.87Å; R23-D26 PolarHBondContact NH2-OD2 3.01Å; R23-D26 PolarHBondContact O-N 3.36Å; D26-A28 VanDerWaalsContact C-N 3.35Å; D26-K29 PolarHBondContact O-N 2.97Å; D26-V30 WeakPolarHBondContact O-CG2 3.43Å; D26-V30 PolarHBondContact O-N 3.5Å |
| 27 | L | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 172.5 | -179.3 | 61.5 | 0 | 0 | 0 | 110.7 | I22 R23 R24 K29 V30 L31 L48 A51 F57 I74 L106 | I22-L27 HydrophobicContact CD1-CB 3.89Å; I22-L27 HydrophobicContact CD1-CD1 4.19Å; I22-L27 HydrophobicContact CG1-CB 4.07Å; I22-L27 HydrophobicContact CG2-CB 4.03Å; I22-L27 HydrophobicContact CG2-CD1 4.44Å; I22-L27 HydrophobicContact CG2-CD2 4.25Å; I22-L27 HydrophobicContact CG2-CG 4.48Å; R23-L27 PolarHBondContact O-N 3.4Å; R24-L27 PolarHBondContact O-N 2.94Å; L27-K29 PolarHBondContact O-N 3.35Å; L27-V30 PolarHBondContact O-N 3.04Å; L27-L31 HydrophobicContact CD1-CD1 3.97Å; L27-L31 HydrophobicContact CD1-CD2 4.01Å; L27-L31 HydrophobicContact CD1-CG 3.82Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.71Å; L27-L31 HydrophobicContact CG-CG 4.04Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.27Å; L27-L48 HydrophobicContact CB-CD2 4.03Å; L27-L48 HydrophobicContact CD2-CD2 3.77Å; L27-L48 HydrophobicContact CG-CD2 3.83Å; L27-A51 HydrophobicContact CD2-CB 3.63Å; L27-F57 HydrophobicContact CD2-CD1 3.68Å; L27-F57 HydrophobicContact CD2-CE1 3.87Å; L27-I74 HydrophobicContact CD1-CD1 3.93Å; L27-I74 HydrophobicContact CD2-CD1 3.63Å; L27-I74 HydrophobicContact CG-CD1 4.42Å; L27-L106 HydrophobicContact CD1-CD1 3.55Å |
| 28 | A | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.2 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R24 C25 D26 H32 L48 M142 L147 | R24-A28 PolarHBondContact O-N 3.21Å; C25-A28 PolarHBondContact O-N 3.18Å; D26-A28 VanDerWaalsContact C-N 3.35Å; A28-H32 WeakPolarHBondContact O-CB 3.45Å; A28-H32 PolarHBondContact O-N 2.67Å; A28-L48 HydrophobicContact CB-CD1 3.91Å; A28-L48 HydrophobicContact CB-CD2 4.23Å; A28-M142 HydrophobicContact CB-CE 4.35Å; A28-M142 HydrophobicContact CB-SD 3.97Å; A28-L147 HydrophobicContact CB-CD2 4.26Å |
| 29 | K | 98.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 35% | 0.352 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 176.7 | -178.6 | 168.9 | 178.5 | 162 | 0 | 111.9 | C25 D26 L27 L31 H32 E33 L147 | C25-K29 PolarHBondContact O-N 3.18Å; D26-K29 PolarHBondContact O-N 2.97Å; L27-K29 PolarHBondContact O-N 3.35Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 2.68Å; K29-H32 WeakPolarHBondContact O-CB 3.37Å; K29-H32 PolarHBondContact O-N 2.9Å; K29-H32 VanDerWaalsContact O-N 3.16Å; K29-E33 WeakPolarHBondContact CE-OE1 2.99Å; K29-E33 HydrophobicContact CG-CG 4.41Å; K29-E33 IonicContact NZ-OE1 3.98Å; K29-E33 WeakPolarHBondContact O-CG 3.26Å; K29-E33 PolarHBondContact O-N 2.84Å; K29-L147 HydrophobicContact CB-CD2 4.46Å |
| 30 | V | 98.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | D26 L27 H32 E33 E34 L106 I110 | D26-V30 WeakPolarHBondContact O-CG2 3.43Å; D26-V30 PolarHBondContact O-N 3.5Å; L27-V30 PolarHBondContact O-N 3.04Å; V30-H32 VanDerWaalsContact C-N 3.28Å; V30-H32 PolarHBondContact O-N 3.26Å; V30-E33 PolarHBondContact O-N 3.26Å; V30-E34 HydrophobicContact CG1-CG 4.48Å; V30-E34 WeakPolarHBondContact O-CB 3.37Å; V30-E34 VanDerWaalsContact O-CG 3.3Å; V30-E34 WeakPolarHBondContact O-CG 3.46Å; V30-E34 PolarHBondContact O-N 3.03Å; V30-L106 HydrophobicContact CG1-CB 4.37Å; V30-L106 HydrophobicContact CG1-CD1 4.24Å; V30-I110 HydrophobicContact CG1-CD1 3.93Å |
| 31 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 179.6 | -61.6 | 173 | 0 | 0 | 0 | 112 | L27 K29 E34 L36 L44 W47 L48 F75 I110 | L27-L31 HydrophobicContact CD1-CD1 3.97Å; L27-L31 HydrophobicContact CD1-CD2 4.01Å; L27-L31 HydrophobicContact CD1-CG 3.82Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.71Å; L27-L31 HydrophobicContact CG-CG 4.04Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.27Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 2.68Å; L31-E34 CarbonylContact O-C 3.57Å; L31-L36 HydrophobicContact CB-CB 4.28Å; L31-L36 HydrophobicContact CB-CD1 3.96Å; L31-L36 HydrophobicContact CD2-CD1 3.28Å; L31-L36 HydrophobicContact CG-CD1 4.14Å; L31-L36 VanDerWaalsContact O-CB 3.3Å; L31-L36 WeakPolarHBondContact O-CB 3.2Å; L31-L36 PolarHBondContact O-N 2.98Å; L31-L44 HydrophobicContact CB-CD2 3.67Å; L31-W47 HydrophobicContact CD1-CB 3.63Å; L31-L48 HydrophobicContact CD1-CD2 4.27Å; L31-F75 HydrophobicContact CD2-CZ 3.94Å; L31-I110 HydrophobicContact CD2-CD1 4Å; L31-I110 HydrophobicContact CD2-CG1 4.09Å |
| 32 | H | 98.6 | Very high | 98.3 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 174.5 | -176.5 | 66.5 | 0 | 0 | 0 | 112.2 | A28 K29 V30 E34 D35 L44 L147 | A28-H32 WeakPolarHBondContact O-CB 3.45Å; A28-H32 PolarHBondContact O-N 2.67Å; K29-H32 WeakPolarHBondContact O-CB 3.37Å; K29-H32 PolarHBondContact O-N 2.9Å; K29-H32 VanDerWaalsContact O-N 3.16Å; V30-H32 VanDerWaalsContact C-N 3.28Å; V30-H32 PolarHBondContact O-N 3.26Å; H32-E34 PolarHBondContact O-N 3.11Å; H32-D35 PolarHBondContact O-N 3.47Å; H32-D35 VanDerWaalsContact O-N 3.1Å; H32-L44 HydrophobicContact CB-CD1 3.88Å; H32-L44 HydrophobicContact CB-CD2 4.41Å; H32-L147 HydrophobicContact CB-CD1 4.2Å; H32-L147 HydrophobicContact CB-CD2 4.2Å |
| 33 | E | 98.4 | Very high | 98.4 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -28.4 | 176.7 | -72.2 | 171.4 | 171.2 | 0 | 0 | 112 | K29 V30 | K29-E33 WeakPolarHBondContact CE-OE1 2.99Å; K29-E33 HydrophobicContact CG-CG 4.41Å; K29-E33 IonicContact NZ-OE1 3.98Å; K29-E33 WeakPolarHBondContact O-CG 3.26Å; K29-E33 PolarHBondContact O-N 2.84Å; V30-E33 PolarHBondContact O-N 3.26Å |
| 34 | E | 98.5 | Very high | 98.4 | Very high | 58 Ų | 58 | 53 Ų | 53 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 25 | 176.9 | -61.3 | -59.5 | 145.1 | 0 | 0 | 113.6 | V30 L31 H32 L36 L107 I110 K114 | V30-E34 HydrophobicContact CG1-CG 4.48Å; V30-E34 WeakPolarHBondContact O-CB 3.37Å; V30-E34 VanDerWaalsContact O-CG 3.3Å; V30-E34 WeakPolarHBondContact O-CG 3.46Å; V30-E34 PolarHBondContact O-N 3.03Å; L31-E34 CarbonylContact O-C 3.57Å; H32-E34 PolarHBondContact O-N 3.11Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 3.21Å; E34-L107 HydrophobicContact CG-CD2 4.15Å; E34-L107 VanDerWaalsContact OE1-CD2 3.29Å; E34-L107 WeakPolarHBondContact OE1-CD2 3.39Å; E34-L107 WeakPolarHBondContact OE2-CD2 3.39Å; E34-I110 HydrophobicContact CB-CD1 4.01Å; E34-I110 HydrophobicContact CB-CG2 3.99Å; E34-I110 HydrophobicContact CG-CD1 3.81Å; E34-K114 VanDerWaalsContact O-CE 3.26Å; E34-K114 WeakPolarHBondContact O-CE 3.41Å; E34-K114 PolarHBondContact O-NZ 3.08Å |
| 35 | D | 98.2 | Very high | 98.5 | Very high | 128 Ų | 128 | 50.2 Ų | 50.2 | 68% | 0.684 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.6 | 172.2 | -61.8 | -48.5 | 0 | 0 | 0 | 115.1 | H32 | H32-D35 PolarHBondContact O-N 3.47Å; H32-D35 VanDerWaalsContact O-N 3.1Å |
| 36 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -91.2 | -10.8 | 176.7 | -71.3 | 171.6 | 0 | 0 | 0 | 114.2 | L31 E34 G38 F39 L44 W47 I110 K114 | L31-L36 HydrophobicContact CB-CB 4.28Å; L31-L36 HydrophobicContact CB-CD1 3.96Å; L31-L36 HydrophobicContact CD2-CD1 3.28Å; L31-L36 HydrophobicContact CG-CD1 4.14Å; L31-L36 VanDerWaalsContact O-CB 3.3Å; L31-L36 WeakPolarHBondContact O-CB 3.2Å; L31-L36 PolarHBondContact O-N 2.98Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 3.21Å; L36-G38 PolarHBondContact O-N 3.28Å; L36-G38 VanDerWaalsContact O-N 3.15Å; L36-F39 HydrophobicContact CD2-CB 4.24Å; L36-F39 HydrophobicContact CD2-CD1 4.39Å; L36-F39 HydrophobicContact CD2-CG 4.3Å; L36-F39 PolarHBondContact O-N 3.15Å; L36-L44 HydrophobicContact CB-CD2 4.46Å; L36-W47 HydrophobicContact CB-CG 4.49Å; L36-W47 HydrophobicContact CD1-CD2 4.3Å; L36-W47 HydrophobicContact CD2-CD2 4.42Å; L36-W47 HydrophobicContact CD2-CH2 3.99Å; L36-W47 HydrophobicContact CD2-CZ2 3.52Å; L36-W47 PolarHBondContact O-NE1 2.89Å; L36-W47 VanDerWaalsContact O-NE1 3.1Å; L36-I110 HydrophobicContact CD1-CD1 4.48Å; L36-I110 HydrophobicContact CD1-CG1 4.13Å; L36-I110 HydrophobicContact CD1-CG2 3.77Å; L36-I110 HydrophobicContact CD2-CG2 4.38Å; L36-I110 HydrophobicContact CG-CG2 4.18Å; L36-K114 HydrophobicContact CD2-CD 4.25Å; L36-K114 HydrophobicContact CD2-CG 3.69Å | ||
| 37 | D | 98.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 47 Ų | 47 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 107.9 | 176.6 | -161.7 | 18 | 0 | 0 | 0 | 111 | F39 L44 | D37-F39 VanDerWaalsContact C-N 3.35Å; D37-L44 HydrophobicContact CB-CD1 4.06Å; D37-L44 HydrophobicContact CB-CD2 3.98Å; D37-L44 HydrophobicContact CB-CG 3.64Å; D37-L44 PolarHBondContact OD1-N 3.25Å |
| 38 | G | 98.3 | Very high | 98.5 | Very high | 44 Ų | 44 | 47 Ų | 47 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L36 E40 G41 Y42 | L36-G38 PolarHBondContact O-N 3.28Å; L36-G38 VanDerWaalsContact O-N 3.15Å; G38-E40 PolarHBondContact O-N 3.27Å; G38-G41 PolarHBondContact O-N 3.16Å; G38-Y42 CarbonylContact C-O 3.51Å; G38-Y42 WeakPolarHBondContact CA-O 3.49Å; G38-Y42 PolarHBondContact N-O 3.29Å |
| 39 | F | 98.7 | Very high | 98.5 | Very high | 53 Ų | 53 | 47 Ų | 47 | 23% | 0.232 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -59.4 | 121.9 | 177.6 | -175.8 | -93.7 | 0 | 0 | 0 | 110.4 | L36 D37 G41 Y42 W47 K114 V117 S118 | L36-F39 HydrophobicContact CD2-CB 4.24Å; L36-F39 HydrophobicContact CD2-CD1 4.39Å; L36-F39 HydrophobicContact CD2-CG 4.3Å; L36-F39 PolarHBondContact O-N 3.15Å; D37-F39 VanDerWaalsContact C-N 3.35Å; F39-G41 PolarHBondContact O-N 3.22Å; F39-G41 VanDerWaalsContact O-N 3.08Å; F39-Y42 PolarHBondContact N-O 3.45Å; F39-Y42 PolarHBondContact O-N 2.99Å; F39-W47 HydrophobicContact CD1-CZ2 4.27Å; F39-K114 HydrophobicContact CD1-CG 4.2Å; F39-K114 HydrophobicContact CD2-CD 4.47Å; F39-K114 HydrophobicContact CD2-CG 4.46Å; F39-K114 HydrophobicContact CE1-CB 3.84Å; F39-K114 HydrophobicContact CE1-CG 3.81Å; F39-K114 HydrophobicContact CE2-CB 4.43Å; F39-K114 HydrophobicContact CE2-CD 4.1Å; F39-K114 HydrophobicContact CE2-CG 4.1Å; F39-K114 HydrophobicContact CZ-CB 3.71Å; F39-K114 HydrophobicContact CZ-CD 4.22Å; F39-K114 HydrophobicContact CZ-CG 3.77Å; F39-V117 HydrophobicContact CD1-CG1 4.28Å; F39-V117 HydrophobicContact CE1-CB 4.3Å; F39-V117 HydrophobicContact CE1-CG1 4.32Å; F39-S118 WeakPolarHBondContact CZ-OG 3.41Å |
| 40 | E | 98.1 | Very high | 98.6 | Very high | 112 Ų | 112 | 43.2 Ų | 43.2 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | 52.3 | 27.6 | -174.5 | -60.9 | -74.3 | -174.5 | 0 | 0 | 113.6 | G38 Y42 V117 S118 | G38-E40 PolarHBondContact O-N 3.27Å; E40-Y42 HydrophobicContact CB-CD2 4.12Å; E40-Y42 HydrophobicContact CB-CE2 4.25Å; E40-Y42 WeakPolarHBondContact O-CD2 3.35Å; E40-Y42 WeakPolarHBondContact O-CE2 3.36Å; E40-V117 HydrophobicContact CB-CG1 3.65Å; E40-V117 HydrophobicContact CG-CG1 3.96Å; E40-S118 WeakPolarHBondContact OE1-CB 3.47Å; E40-S118 PolarHBondContact OE1-OG 3Å |
| 41 | G | 97.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 72% | 0.722 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | 83.1 | 8.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G38 F39 | G38-G41 PolarHBondContact O-N 3.16Å; F39-G41 PolarHBondContact O-N 3.22Å; F39-G41 VanDerWaalsContact O-N 3.08Å |
| 42 | Y | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 16% | 0.161 | 25% | 0.252 | C | S | . | . | trans | -100.6 | 132.3 | 177.7 | -60.6 | -79.3 | 0 | 0 | 0 | 111.6 | G38 F39 E40 D46 V117 M123 W129 | G38-Y42 CarbonylContact C-O 3.51Å; G38-Y42 WeakPolarHBondContact CA-O 3.49Å; G38-Y42 PolarHBondContact N-O 3.29Å; F39-Y42 PolarHBondContact N-O 3.45Å; F39-Y42 PolarHBondContact O-N 2.99Å; E40-Y42 HydrophobicContact CB-CD2 4.12Å; E40-Y42 HydrophobicContact CB-CE2 4.25Å; E40-Y42 WeakPolarHBondContact O-CD2 3.35Å; E40-Y42 WeakPolarHBondContact O-CE2 3.36Å; Y42-D46 HydrophobicContact CD1-CB 4.35Å; Y42-V117 HydrophobicContact CD2-CG1 3.61Å; Y42-V117 HydrophobicContact CE2-CG1 3.57Å; Y42-M123 HydrophobicContact CD1-CB 4.13Å; Y42-M123 HydrophobicContact CD1-CE 4.26Å; Y42-M123 HydrophobicContact CD1-CG 3.76Å; Y42-M123 HydrophobicContact CD1-SD 3.47Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.45Å; Y42-M123 HydrophobicContact CD2-CE 4.48Å; Y42-M123 HydrophobicContact CD2-CG 4.01Å; Y42-M123 HydrophobicContact CD2-SD 4.43Å; Y42-M123 HydrophobicContact CE1-CB 3.66Å; Y42-M123 HydrophobicContact CE1-CG 3.78Å; Y42-M123 HydrophobicContact CE1-SD 4.01Å; Y42-M123 HydrophobicContact CE2-CB 4.38Å; Y42-M123 HydrophobicContact CE2-CG 4.04Å; Y42-M123 HydrophobicContact CG-CE 3.89Å; Y42-M123 HydrophobicContact CG-CG 3.87Å; Y42-M123 HydrophobicContact CG-SD 3.71Å; Y42-M123 PolarHBondContact OH-N 3.45Å; Y42-W129 HydrophobicContact CD1-CH2 4.27Å; Y42-W129 AromaticContact CD1-CZ2 3.99Å; Y42-W129 HydrophobicContact CD1-CZ2 3.99Å; Y42-W129 AromaticContact CE1-CH2 3.66Å; Y42-W129 HydrophobicContact CE1-CH2 3.66Å; Y42-W129 AromaticContact CE1-CZ2 3.85Å; Y42-W129 HydrophobicContact CE1-CZ2 3.85Å; Y42-W129 HydrophobicContact CE1-CZ3 4.46Å | ||
| 43 | S | 98.6 | Very high | 98.6 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | trans | -80.4 | 165.4 | 179.6 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | S45 D46 W47 | S43-S45 PolarHBondContact O-N 3.15Å; S43-S45 VanDerWaalsContact O-N 3.11Å; S43-S45 WeakPolarHBondContact OG-CB 3.34Å; S43-S45 PolarHBondContact OG-N 2.95Å; S43-D46 WeakPolarHBondContact CB-OD2 3.22Å; S43-D46 PolarHBondContact N-OD2 3.18Å; S43-D46 WeakPolarHBondContact O-CB 3.42Å; S43-D46 PolarHBondContact O-N 2.75Å; S43-D46 PolarHBondContact OG-N 3.45Å; S43-D46 PolarHBondContact OG-OD2 3.26Å; S43-W47 PolarHBondContact O-N 3.1Å | ||
| 44 | L | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.5 | -31.9 | 168.2 | -66.5 | 176.6 | 0 | 0 | 0 | 113 | L31 H32 L36 D37 D46 W47 L48 M142 L147 | L31-L44 HydrophobicContact CB-CD2 3.67Å; H32-L44 HydrophobicContact CB-CD1 3.88Å; H32-L44 HydrophobicContact CB-CD2 4.41Å; L36-L44 HydrophobicContact CB-CD2 4.46Å; D37-L44 HydrophobicContact CB-CD1 4.06Å; D37-L44 HydrophobicContact CB-CD2 3.98Å; D37-L44 HydrophobicContact CB-CG 3.64Å; D37-L44 PolarHBondContact OD1-N 3.25Å; L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 3.07Å; L44-W47 PolarHBondContact O-N 3.04Å; L44-L48 WeakPolarHBondContact O-CB 3.43Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 3.35Å; L44-M142 HydrophobicContact CB-SD 3.97Å; L44-M142 HydrophobicContact CD1-CE 4.01Å; L44-M142 HydrophobicContact CD1-SD 4.36Å; L44-L147 HydrophobicContact CD1-CD1 3.85Å |
| 45 | S | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -32.8 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | S43 C49 L138 M142 | S43-S45 PolarHBondContact O-N 3.15Å; S43-S45 VanDerWaalsContact O-N 3.11Å; S43-S45 WeakPolarHBondContact OG-CB 3.34Å; S43-S45 PolarHBondContact OG-N 2.95Å; S45-C49 WeakPolarHBondContact O-CB 3.47Å; S45-C49 PolarHBondContact O-N 3.5Å; S45-L138 WeakPolarHBondContact CB-O 3.47Å; S45-L138 PolarHBondContact OG-O 2.95Å; S45-M142 WeakPolarHBondContact OG-CG 3.33Å |
| 46 | D | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 174.2 | -65.6 | -76.7 | 0 | 0 | 0 | 111.1 | Y42 S43 L44 C49 L50 M123 W129 L138 | Y42-D46 HydrophobicContact CD1-CB 4.35Å; S43-D46 WeakPolarHBondContact CB-OD2 3.22Å; S43-D46 PolarHBondContact N-OD2 3.18Å; S43-D46 WeakPolarHBondContact O-CB 3.42Å; S43-D46 PolarHBondContact O-N 2.75Å; S43-D46 PolarHBondContact OG-N 3.45Å; S43-D46 PolarHBondContact OG-OD2 3.26Å; L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 3.07Å; D46-C49 PolarHBondContact O-N 2.92Å; D46-L50 WeakPolarHBondContact O-CB 3.2Å; D46-L50 PolarHBondContact O-N 3.19Å; D46-M123 HydrophobicContact CB-CE 4.08Å; D46-M123 HydrophobicContact CB-SD 3.79Å; D46-W129 HydrophobicContact CB-CZ2 4.42Å; D46-W129 PolarHBondContact O-NE1 3.14Å; D46-W129 WeakPolarHBondContact OD1-CZ2 3.03Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.48Å |
| 47 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.6 | -67.4 | 105.8 | 0 | 0 | 0 | 113 | L31 L36 F39 S43 L44 L50 A51 F75 A113 V117 M123 | L31-W47 HydrophobicContact CD1-CB 3.63Å; L36-W47 HydrophobicContact CB-CG 4.49Å; L36-W47 HydrophobicContact CD1-CD2 4.3Å; L36-W47 HydrophobicContact CD2-CD2 4.42Å; L36-W47 HydrophobicContact CD2-CH2 3.99Å; L36-W47 HydrophobicContact CD2-CZ2 3.52Å; L36-W47 PolarHBondContact O-NE1 2.89Å; L36-W47 VanDerWaalsContact O-NE1 3.1Å; F39-W47 HydrophobicContact CD1-CZ2 4.27Å; S43-W47 PolarHBondContact O-N 3.1Å; L44-W47 PolarHBondContact O-N 3.04Å; W47-L50 HydrophobicContact CE3-CD2 4.11Å; W47-L50 HydrophobicContact CZ3-CD2 4.2Å; W47-L50 WeakPolarHBondContact O-CB 3.04Å; W47-L50 PolarHBondContact O-N 3.44Å; W47-A51 PolarHBondContact O-N 3.36Å; W47-F75 HydrophobicContact CE3-CE1 4.21Å; W47-F75 HydrophobicContact CE3-CE2 4.39Å; W47-F75 AromaticContact CE3-CZ 3.92Å; W47-F75 HydrophobicContact CE3-CZ 3.92Å; W47-F75 HydrophobicContact CZ3-CE2 4.46Å; W47-F75 HydrophobicContact CZ3-CZ 4.42Å; W47-A113 HydrophobicContact CH2-CB 4.23Å; W47-A113 HydrophobicContact CZ3-CB 3.87Å; W47-V117 HydrophobicContact CH2-CB 4.24Å; W47-V117 HydrophobicContact CH2-CG2 3.45Å; W47-V117 VanDerWaalsContact CH2-CG2 3.45Å; W47-V117 HydrophobicContact CZ2-CG2 4.03Å; W47-V117 HydrophobicContact CZ3-CG2 4.25Å; W47-M123 HydrophobicContact CD2-CE 3.14Å; W47-M123 HydrophobicContact CE3-CE 3.46Å; W47-M123 VanDerWaalsContact CE3-CE 3.46Å; W47-M123 HydrophobicContact CG-CE 3.66Å; W47-M123 HydrophobicContact CH2-CE 3.78Å; W47-M123 HydrophobicContact CZ2-CE 3.45Å; W47-M123 VanDerWaalsContact CZ2-CE 3.45Å; W47-M123 HydrophobicContact CZ3-CE 3.75Å |
| 48 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 175.6 | -69.5 | 173.8 | 0 | 0 | 0 | 111.5 | R24 L27 A28 L31 L44 A51 F52 F57 W141 M142 | R24-L48 HydrophobicContact CG-CD1 4.23Å; R24-L48 HydrophobicContact CG-CD2 4.28Å; R24-L48 WeakPolarHBondContact O-CD2 3.47Å; L27-L48 HydrophobicContact CB-CD2 4.03Å; L27-L48 HydrophobicContact CD2-CD2 3.77Å; L27-L48 HydrophobicContact CG-CD2 3.83Å; A28-L48 HydrophobicContact CB-CD1 3.91Å; A28-L48 HydrophobicContact CB-CD2 4.23Å; L31-L48 HydrophobicContact CD1-CD2 4.27Å; L44-L48 WeakPolarHBondContact O-CB 3.43Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 3.35Å; L48-A51 PolarHBondContact O-N 3.48Å; L48-F52 WeakPolarHBondContact O-CB 3.39Å; L48-F52 PolarHBondContact O-N 3.45Å; L48-F57 HydrophobicContact CD2-CE1 4.43Å; L48-F57 WeakPolarHBondContact O-CE1 3.07Å; L48-W141 HydrophobicContact CB-CB 4.03Å; L48-W141 HydrophobicContact CB-CD2 4.18Å; L48-W141 HydrophobicContact CB-CE3 4.11Å; L48-W141 HydrophobicContact CB-CG 4.16Å; L48-W141 HydrophobicContact CD1-CB 4Å; L48-W141 VanDerWaalsContact CD1-O 3.22Å; L48-W141 WeakPolarHBondContact CD1-O 3.16Å; L48-M142 HydrophobicContact CD1-SD 3.7Å |
| 49 | C | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 174 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | S45 D46 A51 F52 V53 C133 L138 W141 | S45-C49 WeakPolarHBondContact O-CB 3.47Å; S45-C49 PolarHBondContact O-N 3.5Å; D46-C49 PolarHBondContact O-N 2.92Å; C49-A51 PolarHBondContact O-N 2.95Å; C49-F52 PolarHBondContact O-N 3.36Å; C49-V53 WeakPolarHBondContact O-CG1 3.39Å; C49-V53 WeakPolarHBondContact O-CG2 3.41Å; C49-V53 PolarHBondContact O-N 3.29Å; C49-C133 VanDerWaalsContact C-SG 3.52Å; C49-C133 HydrophobicContact CB-CB 3.79Å; C49-C133 WeakPolarHBondContact CB-SG 3.39Å; C49-C133 VanDerWaalsContact SG-CA 3.58Å; C49-C133 WeakPolarHBondContact SG-CB 3.13Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 2.05Å; C49-L138 HydrophobicContact CB-CD1 4.08Å; C49-L138 HydrophobicContact CB-CD2 4.17Å; C49-W141 HydrophobicContact CB-CZ2 4.39Å |
| 50 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.3 | -54.6 | 175.8 | 174 | 63.2 | 0 | 0 | 0 | 111.3 | D46 W47 F52 V53 Q54 F75 W126 W129 | D46-L50 WeakPolarHBondContact O-CB 3.2Å; D46-L50 PolarHBondContact O-N 3.19Å; W47-L50 HydrophobicContact CE3-CD2 4.11Å; W47-L50 HydrophobicContact CZ3-CD2 4.2Å; W47-L50 WeakPolarHBondContact O-CB 3.04Å; W47-L50 PolarHBondContact O-N 3.44Å; L50-F52 VanDerWaalsContact C-N 3.27Å; L50-F52 PolarHBondContact O-N 3.01Å; L50-V53 WeakPolarHBondContact O-CG2 3.48Å; L50-V53 PolarHBondContact O-N 3.16Å; L50-Q54 HydrophobicContact CD1-CG 3.56Å; L50-Q54 HydrophobicContact CG-CG 4.32Å; L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.34Å; L50-Q54 WeakPolarHBondContact O-CG 3.41Å; L50-Q54 PolarHBondContact O-N 3.23Å; L50-F75 HydrophobicContact CD2-CD1 3.79Å; L50-F75 HydrophobicContact CD2-CE1 4.21Å; L50-F75 HydrophobicContact CD2-CG 4.31Å; L50-F75 HydrophobicContact CG-CD1 3.91Å; L50-F75 HydrophobicContact CG-CE1 4.44Å; L50-W126 HydrophobicContact CD1-CB 3.56Å; L50-W126 HydrophobicContact CD1-CD2 3.91Å; L50-W126 HydrophobicContact CD1-CG 3.43Å; L50-W126 VanDerWaalsContact CD1-CG 3.43Å; L50-W126 HydrophobicContact CD2-CD2 4.08Å; L50-W126 HydrophobicContact CD2-CE3 4.31Å; L50-W126 HydrophobicContact CD2-CG 4.47Å; L50-W126 HydrophobicContact CD2-CZ2 4.38Å; L50-W129 HydrophobicContact CB-CG 4.46Å; L50-W129 HydrophobicContact CD1-CB 3.74Å; L50-W129 HydrophobicContact CD1-CG 4.43Å |
| 51 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -40.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L27 W47 L48 C49 S55 N56 F57 I74 F75 | L27-A51 HydrophobicContact CD2-CB 3.63Å; W47-A51 PolarHBondContact O-N 3.36Å; L48-A51 PolarHBondContact O-N 3.48Å; C49-A51 PolarHBondContact O-N 2.95Å; A51-S55 PolarHBondContact O-N 3.12Å; A51-S55 PolarHBondContact O-OG 2.92Å; A51-N56 PolarHBondContact O-N 3.27Å; A51-F57 HydrophobicContact CB-CD1 3.73Å; A51-F57 HydrophobicContact CB-CE1 3.81Å; A51-F57 PolarHBondContact O-N 2.99Å; A51-I74 HydrophobicContact CB-CD1 4.03Å; A51-I74 HydrophobicContact CB-CG1 3.8Å; A51-F75 HydrophobicContact CB-CD1 4.23Å; A51-F75 HydrophobicContact CB-CE1 3.89Å |
| 52 | F | 98.8 | Very high | 98.5 | Very high | 86 Ų | 86 | 30.2 Ų | 30.2 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.5 | -50.6 | 178.2 | -177.8 | -101.6 | 0 | 0 | 0 | 112.2 | L48 C49 L50 Q54 N56 F57 W141 | L48-F52 WeakPolarHBondContact O-CB 3.39Å; L48-F52 PolarHBondContact O-N 3.45Å; C49-F52 PolarHBondContact O-N 3.36Å; L50-F52 VanDerWaalsContact C-N 3.27Å; L50-F52 PolarHBondContact O-N 3.01Å; F52-Q54 VanDerWaalsContact C-N 3.26Å; F52-Q54 PolarHBondContact O-N 2.61Å; F52-N56 WeakPolarHBondContact CD2-OD1 3.4Å; F52-N56 WeakPolarHBondContact CE2-OD1 3.26Å; F52-N56 VanDerWaalsContact O-CA 3.24Å; F52-N56 WeakPolarHBondContact O-CA 3.46Å; F52-N56 PolarHBondContact O-N 2.97Å; F52-F57 HydrophobicContact CB-CE1 4Å; F52-F57 HydrophobicContact CB-CE2 4.07Å; F52-F57 HydrophobicContact CB-CZ 3.69Å; F52-F57 AromaticContact CD2-CD2 3.96Å; F52-F57 HydrophobicContact CD2-CD2 3.96Å; F52-F57 AromaticContact CD2-CE2 3.53Å; F52-F57 HydrophobicContact CD2-CE2 3.53Å; F52-F57 HydrophobicContact CD2-CZ 4.05Å; F52-F57 HydrophobicContact CE2-CE2 4.44Å; F52-F57 HydrophobicContact CG-CE2 4.25Å; F52-F57 HydrophobicContact CG-CZ 4.32Å; F52-W141 HydrophobicContact CB-CH2 3.46Å; F52-W141 VanDerWaalsContact CB-CH2 3.46Å; F52-W141 HydrophobicContact CB-CZ2 4.01Å; F52-W141 HydrophobicContact CB-CZ3 4.06Å; F52-W141 AromaticContact CD1-CH2 3.64Å; F52-W141 HydrophobicContact CD1-CH2 3.64Å; F52-W141 HydrophobicContact CD1-CZ2 4.04Å; F52-W141 AromaticContact CD2-CH2 3.84Å; F52-W141 HydrophobicContact CD2-CH2 3.84Å; F52-W141 HydrophobicContact CD2-CZ3 4.35Å; F52-W141 HydrophobicContact CE1-CH2 4.32Å; F52-W141 HydrophobicContact CE2-CH2 4.46Å; F52-W141 AromaticContact CG-CH2 3.36Å; F52-W141 HydrophobicContact CG-CH2 3.36Å; F52-W141 HydrophobicContact CG-CZ2 4.09Å; F52-W141 HydrophobicContact CG-CZ3 4.17Å |
| 53 | V | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 31.1 Ų | 31.1 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.2 | -26.9 | -175.4 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | C49 L50 H132 | C49-V53 WeakPolarHBondContact O-CG1 3.39Å; C49-V53 WeakPolarHBondContact O-CG2 3.41Å; C49-V53 PolarHBondContact O-N 3.29Å; L50-V53 WeakPolarHBondContact O-CG2 3.48Å; L50-V53 PolarHBondContact O-N 3.16Å; V53-H132 HydrophobicContact CB-CB 4.45Å; V53-H132 HydrophobicContact CG1-CB 3.74Å |
| 54 | Q | 98.4 | Very high | 98.4 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 15% | 0.145 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -83 | -48.2 | 179.3 | -68.7 | -61.5 | -1.4 | 0 | 0 | 112.6 | L50 F52 K61 Q76 W126 | L50-Q54 HydrophobicContact CD1-CG 3.56Å; L50-Q54 HydrophobicContact CG-CG 4.32Å; L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.34Å; L50-Q54 WeakPolarHBondContact O-CG 3.41Å; L50-Q54 PolarHBondContact O-N 3.23Å; F52-Q54 VanDerWaalsContact C-N 3.26Å; F52-Q54 PolarHBondContact O-N 2.61Å; Q54-K61 PolarHBondContact O-NZ 2.99Å; Q54-Q76 HydrophobicContact CB-CB 4.04Å; Q54-Q76 HydrophobicContact CB-CG 3.66Å; Q54-Q76 HydrophobicContact CG-CB 4.41Å; Q54-Q76 WeakPolarHBondContact O-CG 3.39Å; Q54-W126 VanDerWaalsContact NE2-CD1 3.34Å |
| 55 | S | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -130.3 | -1.1 | -170.8 | 81.8 | 0 | 0 | 0 | 0 | 115.8 | A51 F57 N58 I74 | A51-S55 PolarHBondContact O-N 3.12Å; A51-S55 PolarHBondContact O-OG 2.92Å; S55-F57 PolarHBondContact O-N 3.22Å; S55-F57 PolarHBondContact OG-N 3.4Å; S55-N58 VanDerWaalsContact CB-O 3.27Å; S55-N58 WeakPolarHBondContact CB-O 3.28Å; S55-N58 WeakPolarHBondContact O-CB 3.31Å; S55-N58 PolarHBondContact O-N 3.1Å; S55-N58 VanDerWaalsContact O-N 3.1Å; S55-N58 PolarHBondContact OG-N 3.27Å; S55-N58 PolarHBondContact OG-O 2.92Å; S55-I74 WeakPolarHBondContact CB-O 3.49Å; S55-I74 WeakPolarHBondContact OG-CA 3.47Å; S55-I74 PolarHBondContact OG-O 3.02Å |
| 56 | N | 98.1 | Very high | 98.1 | Very high | 97 Ų | 97 | 45 Ų | 45 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.7 | -168.8 | -169.5 | 42.1 | 0 | 0 | 0 | 111.2 | A51 F52 N58 | A51-N56 PolarHBondContact O-N 3.27Å; F52-N56 WeakPolarHBondContact CD2-OD1 3.4Å; F52-N56 WeakPolarHBondContact CE2-OD1 3.26Å; F52-N56 VanDerWaalsContact O-CA 3.24Å; F52-N56 WeakPolarHBondContact O-CA 3.46Å; F52-N56 PolarHBondContact O-N 2.97Å; N56-N58 PolarHBondContact O-N 3.23Å |
| 57 | F | 98.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.4 | -175.5 | -52.1 | -59.1 | 0 | 0 | 0 | 115.6 | L21 I22 R24 L27 L48 A51 F52 S55 I59 W141 | L21-F57 WeakPolarHBondContact CA-O 3.4Å; I22-F57 HydrophobicContact CG2-CB 4.03Å; I22-F57 PolarHBondContact N-O 2.92Å; I22-F57 VanDerWaalsContact N-O 3.07Å; I22-F57 VanDerWaalsContact O-CB 3.31Å; I22-F57 WeakPolarHBondContact O-CB 3.49Å; R24-F57 HydrophobicContact CB-CE2 4.2Å; R24-F57 HydrophobicContact CB-CZ 4.22Å; R24-F57 HydrophobicContact CG-CZ 4.27Å; L27-F57 HydrophobicContact CD2-CD1 3.68Å; L27-F57 HydrophobicContact CD2-CE1 3.87Å; L48-F57 HydrophobicContact CD2-CE1 4.43Å; L48-F57 WeakPolarHBondContact O-CE1 3.07Å; A51-F57 HydrophobicContact CB-CD1 3.73Å; A51-F57 HydrophobicContact CB-CE1 3.81Å; A51-F57 PolarHBondContact O-N 2.99Å; F52-F57 HydrophobicContact CB-CE1 4Å; F52-F57 HydrophobicContact CB-CE2 4.07Å; F52-F57 HydrophobicContact CB-CZ 3.69Å; F52-F57 AromaticContact CD2-CD2 3.96Å; F52-F57 HydrophobicContact CD2-CD2 3.96Å; F52-F57 AromaticContact CD2-CE2 3.53Å; F52-F57 HydrophobicContact CD2-CE2 3.53Å; F52-F57 HydrophobicContact CD2-CZ 4.05Å; F52-F57 HydrophobicContact CE2-CE2 4.44Å; F52-F57 HydrophobicContact CG-CE2 4.25Å; F52-F57 HydrophobicContact CG-CZ 4.32Å; S55-F57 PolarHBondContact O-N 3.22Å; S55-F57 PolarHBondContact OG-N 3.4Å; F57-I59 PolarHBondContact O-N 3.37Å; F57-W141 AromaticContact CE2-CZ3 3.97Å; F57-W141 HydrophobicContact CE2-CZ3 3.97Å; F57-W141 HydrophobicContact CZ-CE3 4.12Å; F57-W141 HydrophobicContact CZ-CH2 4.26Å; F57-W141 AromaticContact CZ-CZ3 3.52Å; F57-W141 HydrophobicContact CZ-CZ3 3.52Å |
| 58 | N | 98.3 | Very high | 97.8 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 21% | 0.214 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 110.9 | 171.9 | -173 | -12.8 | 0 | 0 | 0 | 110.3 | S20 L21 S55 N56 S60 K61 I74 | S20-N58 WeakPolarHBondContact CB-OD1 3.44Å; S20-N58 CarbonylContact O-C 3.58Å; S20-N58 WeakPolarHBondContact O-CA 3.1Å; S20-N58 PolarHBondContact O-OD1 2.99Å; L21-N58 HydrophobicContact CD2-CB 3.77Å; S55-N58 VanDerWaalsContact CB-O 3.27Å; S55-N58 WeakPolarHBondContact CB-O 3.28Å; S55-N58 WeakPolarHBondContact O-CB 3.31Å; S55-N58 PolarHBondContact O-N 3.1Å; S55-N58 VanDerWaalsContact O-N 3.1Å; S55-N58 PolarHBondContact OG-N 3.27Å; S55-N58 PolarHBondContact OG-O 2.92Å; N56-N58 PolarHBondContact O-N 3.23Å; N58-S60 VanDerWaalsContact C-N 3.3Å; N58-S60 PolarHBondContact O-N 3.22Å; N58-S60 PolarHBondContact OD1-N 3.26Å; N58-S60 PolarHBondContact OD1-OG 3.16Å; N58-K61 HydrophobicContact CB-CB 4.04Å; N58-K61 PolarHBondContact OD1-N 2.75Å; N58-I74 WeakPolarHBondContact O-CA 3.32Å |
| 59 | I | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33 | 179.3 | -61.5 | 164.4 | 0 | 0 | 0 | 111.7 | S20 I22 F57 G73 I74 S103 L106 | S20-I59 WeakPolarHBondContact O-CB 3.17Å; S20-I59 PolarHBondContact O-N 3.1Å; I22-I59 HydrophobicContact CB-CD1 3.77Å; I22-I59 HydrophobicContact CB-CG1 4.14Å; I22-I59 HydrophobicContact CG2-CD1 4.26Å; I22-I59 HydrophobicContact CG2-CG1 4.08Å; F57-I59 PolarHBondContact O-N 3.37Å; I59-G73 WeakPolarHBondContact O-CA 3.47Å; I59-I74 HydrophobicContact CG1-CD1 4.41Å; I59-S103 WeakPolarHBondContact CG2-O 3.32Å; I59-L106 HydrophobicContact CG1-CD2 4.24Å; I59-L106 HydrophobicContact CG2-CD2 3.8Å |
| 60 | S | 96.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 24.2 | -174.4 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | S20 N58 | S20-S60 WeakPolarHBondContact CB-OG 3.47Å; N58-S60 VanDerWaalsContact C-N 3.3Å; N58-S60 PolarHBondContact O-N 3.22Å; N58-S60 PolarHBondContact OD1-N 3.26Å; N58-S60 PolarHBondContact OD1-OG 3.16Å |
| 61 | K | 97.8 | Very high | 97.7 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | trans | -71.3 | 133.9 | 178.8 | -171.9 | 179.2 | 177.8 | -168.7 | 0 | 110.5 | Q54 N58 N63 G73 Q76 | Q54-K61 PolarHBondContact O-NZ 2.99Å; N58-K61 HydrophobicContact CB-CB 4.04Å; N58-K61 PolarHBondContact OD1-N 2.75Å; K61-N63 VanDerWaalsContact CE-ND2 3.32Å; K61-N63 WeakPolarHBondContact CE-ND2 3.45Å; K61-N63 WeakPolarHBondContact CE-OD1 3.3Å; K61-N63 PolarHBondContact NZ-ND2 2.83Å; K61-G73 PolarHBondContact O-N 3.36Å; K61-Q76 PolarHBondContact O-NE2 3.39Å; K61-Q76 VanDerWaalsContact O-NE2 3.13Å | ||
| 62 | V | 98.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 38% | 0.376 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.3 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | F70 D71 Y72 L102 | V62-F70 HydrophobicContact CG1-CB 4.43Å; V62-F70 HydrophobicContact CG1-CD1 3.97Å; V62-D71 VanDerWaalsContact CA-O 3.31Å; V62-D71 WeakPolarHBondContact CA-O 3.36Å; V62-Y72 HydrophobicContact CG1-CE1 4.22Å; V62-Y72 HydrophobicContact CG2-CD1 4.02Å; V62-Y72 HydrophobicContact CG2-CE1 4.22Å; V62-L102 HydrophobicContact CG2-CD1 3.85Å; V62-L102 HydrophobicContact CG2-CD2 3.72Å; V62-L102 HydrophobicContact CG2-CG 4.45Å |
| 63 | N | 97.9 | Very high | 97.7 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.7 | 172.2 | -64.9 | -18.2 | 0 | 0 | 0 | 109.9 | K61 F70 D71 Q76 | K61-N63 VanDerWaalsContact CE-ND2 3.32Å; K61-N63 WeakPolarHBondContact CE-ND2 3.45Å; K61-N63 WeakPolarHBondContact CE-OD1 3.3Å; K61-N63 PolarHBondContact NZ-ND2 2.83Å; N63-F70 CarbonylContact O-C 3.5Å; N63-F70 WeakPolarHBondContact O-CA 3.28Å; N63-D71 PolarHBondContact N-O 3.22Å; N63-D71 VanDerWaalsContact N-O 3.08Å; N63-D71 PolarHBondContact O-N 2.93Å; N63-Q76 PolarHBondContact ND2-OE1 3.34Å |
| 64 | E | 97.6 | Very high | 97.7 | Very high | 140 Ų | 140 | 47 Ų | 47 | 65% | 0.654 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 136.9 | 171 | -172.9 | 173.1 | -176.7 | 0 | 0 | 110 | F70 | E64-F70 HydrophobicContact CB-CD1 3.84Å; E64-F70 HydrophobicContact CB-CE1 3.51Å; E64-F70 HydrophobicContact CB-CZ 4.14Å; E64-F70 HydrophobicContact CG-CD1 4.2Å; E64-F70 HydrophobicContact CG-CE1 3.63Å; E64-F70 HydrophobicContact CG-CE2 4.35Å; E64-F70 HydrophobicContact CG-CZ 3.7Å |
| 65 | N | 97.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | trans | -97.7 | 162.1 | 174.6 | -70.5 | -57.7 | 0 | 0 | 0 | 111.3 | D67 G68 S69 D71 N78 | N65-D67 VanDerWaalsContact CB-OD1 3.3Å; N65-D67 WeakPolarHBondContact CB-OD1 3.47Å; N65-D67 PolarHBondContact O-N 3.39Å; N65-G68 PolarHBondContact O-N 3.32Å; N65-S69 WeakPolarHBondContact CB-O 3.2Å; N65-S69 PolarHBondContact N-O 3Å; N65-S69 PolarHBondContact ND2-OG 3.31Å; N65-D71 PolarHBondContact ND2-OD1 3.03Å; N65-D71 PolarHBondContact ND2-OD2 3.25Å; N65-D71 PolarHBondContact OD1-OD2 3.33Å; N65-N78 PolarHBondContact ND2-ND2 3.41Å | ||
| 66 | T | 95.4 | Very high | 97.7 | Very high | 157 Ų | 157 | 45.7 Ų | 45.7 | 96% | 0.963 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.6 | -175.1 | -18 | 0 | 0 | 0 | 0 | 113.4 | G68 | T66-G68 VanDerWaalsContact C-N 3.3Š|
| 67 | D | 94.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 57% | 0.572 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 1 | 176.4 | 66.1 | -5.2 | 0 | 0 | 0 | 113.4 | N65 S69 | N65-D67 VanDerWaalsContact CB-OD1 3.3Å; N65-D67 WeakPolarHBondContact CB-OD1 3.47Å; N65-D67 PolarHBondContact O-N 3.39Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 WeakPolarHBondContact OD1-CB 2.97Å; D67-S69 PolarHBondContact OD1-N 2.78Å; D67-S69 PolarHBondContact OD1-OG 3.49Å; D67-S69 PolarHBondContact OD2-OG 2.95Å |
| 68 | G | 95.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 84.8 | -1.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N65 T66 F70 | N65-G68 PolarHBondContact O-N 3.32Å; T66-G68 VanDerWaalsContact C-N 3.3Å; G68-F70 WeakPolarHBondContact O-CD2 3.4Å; G68-F70 WeakPolarHBondContact O-CE2 3.24Å |
| 69 | S | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | trans | -74.9 | 166.8 | 167.4 | 71.6 | 0 | 0 | 0 | 0 | 111 | N65 D67 N78 | N65-S69 WeakPolarHBondContact CB-O 3.2Å; N65-S69 PolarHBondContact N-O 3Å; N65-S69 PolarHBondContact ND2-OG 3.31Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 WeakPolarHBondContact OD1-CB 2.97Å; D67-S69 PolarHBondContact OD1-N 2.78Å; D67-S69 PolarHBondContact OD1-OG 3.49Å; D67-S69 PolarHBondContact OD2-OG 2.95Å; S69-N78 PolarHBondContact OG-ND2 3.03Å | ||
| 70 | F | 98.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.6 | 179.9 | -69.3 | -100.2 | 0 | 0 | 0 | 110.9 | V62 N63 E64 G68 Y72 N78 S79 K87 | V62-F70 HydrophobicContact CG1-CB 4.43Å; V62-F70 HydrophobicContact CG1-CD1 3.97Å; N63-F70 CarbonylContact O-C 3.5Å; N63-F70 WeakPolarHBondContact O-CA 3.28Å; E64-F70 HydrophobicContact CB-CD1 3.84Å; E64-F70 HydrophobicContact CB-CE1 3.51Å; E64-F70 HydrophobicContact CB-CZ 4.14Å; E64-F70 HydrophobicContact CG-CD1 4.2Å; E64-F70 HydrophobicContact CG-CE1 3.63Å; E64-F70 HydrophobicContact CG-CE2 4.35Å; E64-F70 HydrophobicContact CG-CZ 3.7Å; G68-F70 WeakPolarHBondContact O-CD2 3.4Å; G68-F70 WeakPolarHBondContact O-CE2 3.24Å; F70-Y72 HydrophobicContact CB-CD2 4.17Å; F70-Y72 HydrophobicContact CB-CE2 3.31Å; F70-Y72 HydrophobicContact CG-CE2 4.47Å; F70-Y72 WeakPolarHBondContact O-CD2 3.33Å; F70-Y72 WeakPolarHBondContact O-CE2 3.18Å; F70-N78 CarbonylContact O-C 3.56Å; F70-N78 WeakPolarHBondContact O-CA 3.45Å; F70-S79 PolarHBondContact N-OG 2.91Å; F70-S79 PolarHBondContact O-N 3.38Å; F70-S79 PolarHBondContact O-OG 3.44Å; F70-K87 HydrophobicContact CE2-CD 4.38Å |
| 71 | D | 98.6 | Very high | 97.8 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.6 | 173.8 | -62.6 | -28.3 | 0 | 0 | 0 | 110.8 | V62 N63 N65 Q76 N78 | V62-D71 VanDerWaalsContact CA-O 3.31Å; V62-D71 WeakPolarHBondContact CA-O 3.36Å; N63-D71 PolarHBondContact N-O 3.22Å; N63-D71 VanDerWaalsContact N-O 3.08Å; N63-D71 PolarHBondContact O-N 2.93Å; N65-D71 PolarHBondContact ND2-OD1 3.03Å; N65-D71 PolarHBondContact ND2-OD2 3.25Å; N65-D71 PolarHBondContact OD1-OD2 3.33Å; D71-Q76 HydrophobicContact CB-CB 3.87Å; D71-N78 WeakPolarHBondContact OD1-CA 3.31Å; D71-N78 WeakPolarHBondContact OD1-CB 3.46Å; D71-N78 PolarHBondContact OD1-ND2 2.87Å |
| 72 | Y | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.9 | -170.5 | -68.6 | -98.8 | 0 | 0 | 0 | 113.3 | V62 F70 Q76 I77 D85 C98 L102 | V62-Y72 HydrophobicContact CG1-CE1 4.22Å; V62-Y72 HydrophobicContact CG2-CD1 4.02Å; V62-Y72 HydrophobicContact CG2-CE1 4.22Å; F70-Y72 HydrophobicContact CB-CD2 4.17Å; F70-Y72 HydrophobicContact CB-CE2 3.31Å; F70-Y72 HydrophobicContact CG-CE2 4.47Å; F70-Y72 WeakPolarHBondContact O-CD2 3.33Å; F70-Y72 WeakPolarHBondContact O-CE2 3.18Å; Y72-Q76 CarbonylContact O-C 3.59Å; Y72-Q76 WeakPolarHBondContact O-CA 3.43Å; Y72-Q76 PolarHBondContact O-N 3.01Å; Y72-I77 PolarHBondContact N-O 3.12Å; Y72-I77 PolarHBondContact O-N 3.28Å; Y72-D85 HydrophobicContact CE2-CB 4.14Å; Y72-D85 WeakPolarHBondContact OH-CB 3.17Å; Y72-D85 PolarHBondContact OH-OD2 3.13Å; Y72-C98 HydrophobicContact CD1-CB 3.74Å; Y72-C98 WeakPolarHBondContact CD1-O 3.35Å; Y72-C98 HydrophobicContact CD2-CB 3.69Å; Y72-C98 HydrophobicContact CE1-CB 3.74Å; Y72-C98 HydrophobicContact CE2-CB 3.68Å; Y72-C98 HydrophobicContact CG-CB 3.73Å; Y72-L102 HydrophobicContact CD1-CD1 4.19Å; Y72-L102 HydrophobicContact CD1-CD2 4.03Å; Y72-L102 HydrophobicContact CD1-CG 4.17Å |
| 73 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -166.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115 | I59 K61 F75 Q76 | I59-G73 WeakPolarHBondContact O-CA 3.47Å; K61-G73 PolarHBondContact O-N 3.36Å; G73-F75 PolarHBondContact O-N 3.41Å; G73-Q76 PolarHBondContact O-N 3.41Å; G73-Q76 PolarHBondContact O-NE2 3.01Å |
| 74 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.8 | -170.4 | -162.8 | 169.7 | 0 | 0 | 0 | 114.2 | I22 L27 A51 S55 N58 I59 L106 T109 | I22-I74 HydrophobicContact CG2-CD1 3.56Å; L27-I74 HydrophobicContact CD1-CD1 3.93Å; L27-I74 HydrophobicContact CD2-CD1 3.63Å; L27-I74 HydrophobicContact CG-CD1 4.42Å; A51-I74 HydrophobicContact CB-CD1 4.03Å; A51-I74 HydrophobicContact CB-CG1 3.8Å; S55-I74 WeakPolarHBondContact CB-O 3.49Å; S55-I74 WeakPolarHBondContact OG-CA 3.47Å; S55-I74 PolarHBondContact OG-O 3.02Å; N58-I74 WeakPolarHBondContact O-CA 3.32Å; I59-I74 HydrophobicContact CG1-CD1 4.41Å; I74-L106 HydrophobicContact CG2-CD2 4.4Å; I74-T109 HydrophobicContact CG2-CG2 3.85Å |
| 75 | F | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 3.5 | 177.9 | -60.4 | -44.2 | 0 | 0 | 0 | 113.5 | L31 W47 L50 A51 G73 I77 T109 A113 W126 | L31-F75 HydrophobicContact CD2-CZ 3.94Å; W47-F75 HydrophobicContact CE3-CE1 4.21Å; W47-F75 HydrophobicContact CE3-CE2 4.39Å; W47-F75 AromaticContact CE3-CZ 3.92Å; W47-F75 HydrophobicContact CE3-CZ 3.92Å; W47-F75 HydrophobicContact CZ3-CE2 4.46Å; W47-F75 HydrophobicContact CZ3-CZ 4.42Å; L50-F75 HydrophobicContact CD2-CD1 3.79Å; L50-F75 HydrophobicContact CD2-CE1 4.21Å; L50-F75 HydrophobicContact CD2-CG 4.31Å; L50-F75 HydrophobicContact CG-CD1 3.91Å; L50-F75 HydrophobicContact CG-CE1 4.44Å; A51-F75 HydrophobicContact CB-CD1 4.23Å; A51-F75 HydrophobicContact CB-CE1 3.89Å; G73-F75 PolarHBondContact O-N 3.41Å; F75-I77 HydrophobicContact CB-CD1 4.48Å; F75-I77 HydrophobicContact CB-CG1 4.15Å; F75-I77 PolarHBondContact O-N 3.2Å; F75-T109 HydrophobicContact CD2-CG2 3.59Å; F75-T109 HydrophobicContact CE2-CG2 4.08Å; F75-T109 HydrophobicContact CG-CG2 4.45Å; F75-A113 HydrophobicContact CD2-CB 3.74Å; F75-A113 HydrophobicContact CE2-CB 4Å; F75-W126 HydrophobicContact CB-CZ2 4.46Å; F75-W126 PolarHBondContact O-NE1 2.92Å |
| 76 | Q | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 58 | 179.6 | -64.6 | -69.1 | -94.4 | 0 | 0 | 111.4 | Q54 K61 N63 D71 Y72 G73 | Q54-Q76 HydrophobicContact CB-CB 4.04Å; Q54-Q76 HydrophobicContact CB-CG 3.66Å; Q54-Q76 HydrophobicContact CG-CB 4.41Å; Q54-Q76 WeakPolarHBondContact O-CG 3.39Å; K61-Q76 PolarHBondContact O-NE2 3.39Å; K61-Q76 VanDerWaalsContact O-NE2 3.13Å; N63-Q76 PolarHBondContact ND2-OE1 3.34Å; D71-Q76 HydrophobicContact CB-CB 3.87Å; Y72-Q76 CarbonylContact O-C 3.59Å; Y72-Q76 WeakPolarHBondContact O-CA 3.43Å; Y72-Q76 PolarHBondContact O-N 3.01Å; G73-Q76 PolarHBondContact O-N 3.41Å; G73-Q76 PolarHBondContact O-NE2 3.01Å |
| 77 | I | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 122.6 | -179.3 | -66.2 | 174 | 0 | 0 | 0 | 108.8 | Y72 F75 W82 L101 T109 C112 I116 | Y72-I77 PolarHBondContact N-O 3.12Å; Y72-I77 PolarHBondContact O-N 3.28Å; F75-I77 HydrophobicContact CB-CD1 4.48Å; F75-I77 HydrophobicContact CB-CG1 4.15Å; F75-I77 PolarHBondContact O-N 3.2Å; I77-W82 HydrophobicContact CG2-CB 3.4Å; I77-W82 VanDerWaalsContact CG2-CB 3.4Å; I77-W82 HydrophobicContact CG2-CG 4.03Å; I77-L101 HydrophobicContact CB-CD1 3.89Å; I77-L101 HydrophobicContact CD1-CD1 4.25Å; I77-L101 HydrophobicContact CG2-CD1 3.81Å; I77-T109 HydrophobicContact CD1-CG2 4.29Å; I77-C112 HydrophobicContact CD1-CB 4.02Å; I77-I116 HydrophobicContact CD1-CD1 4.36Å; I77-I116 HydrophobicContact CG1-CD1 4.08Å; I77-I116 HydrophobicContact CG2-CD1 4.23Å |
| 78 | N | 98.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.8 | -171.7 | -176.7 | -91.3 | 0 | 0 | 0 | 113.5 | N65 S69 F70 D71 H80 W82 | N65-N78 PolarHBondContact ND2-ND2 3.41Å; S69-N78 PolarHBondContact OG-ND2 3.03Å; F70-N78 CarbonylContact O-C 3.56Å; F70-N78 WeakPolarHBondContact O-CA 3.45Å; D71-N78 WeakPolarHBondContact OD1-CA 3.31Å; D71-N78 WeakPolarHBondContact OD1-CB 3.46Å; D71-N78 PolarHBondContact OD1-ND2 2.87Å; N78-H80 PolarHBondContact O-N 3.01Å; N78-H80 WeakPolarHBondContact OD1-CA 3.26Å; N78-H80 WeakPolarHBondContact OD1-CB 3.3Å; N78-H80 PolarHBondContact OD1-N 3.32Å; N78-W82 PolarHBondContact O-N 3.19Å |
| 79 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.6 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | F70 Y81 C83 D85 S90 C98 | F70-S79 PolarHBondContact N-OG 2.91Å; F70-S79 PolarHBondContact O-N 3.38Å; F70-S79 PolarHBondContact O-OG 3.44Å; S79-Y81 PolarHBondContact O-N 2.86Å; S79-C83 CarbonylContact C-O 3.54Å; S79-C83 WeakPolarHBondContact CA-O 3.3Å; S79-D85 VanDerWaalsContact CB-OD2 3.25Å; S79-D85 WeakPolarHBondContact CB-OD2 3.45Å; S79-D85 PolarHBondContact OG-OD2 2.68Å; S79-S90 WeakPolarHBondContact O-CB 2.87Å; S79-S90 PolarHBondContact O-OG 3.45Å; S79-C98 VanDerWaalsContact CB-SG 3.55Å |
| 80 | H | 98.1 | Very high | 97.6 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 25% | 0.25 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33 | 175.4 | -166.6 | 92.8 | 0 | 0 | 0 | 111.7 | N78 S90 E91 | N78-H80 PolarHBondContact O-N 3.01Å; N78-H80 WeakPolarHBondContact OD1-CA 3.26Å; N78-H80 WeakPolarHBondContact OD1-CB 3.3Å; N78-H80 PolarHBondContact OD1-N 3.32Å; H80-S90 WeakPolarHBondContact O-CA 3.49Å; H80-E91 PolarHBondContact O-N 3.14Å |
| 81 | Y | 97.9 | Very high | 97.6 | Very high | 120 Ų | 120 | 42.5 Ų | 42.5 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -41.7 | -172.9 | -58.6 | -73.4 | 0 | 0 | 0 | 114 | S79 E91 N92 L93 | S79-Y81 PolarHBondContact O-N 2.86Å; Y81-E91 HydrophobicContact CD1-CG 4.46Å; Y81-N92 PolarHBondContact O-N 3.3Å; Y81-L93 WeakPolarHBondContact O-CB 3.36Å; Y81-L93 VanDerWaalsContact O-CG 3.28Å; Y81-L93 WeakPolarHBondContact O-CG 3.32Å; Y81-L93 PolarHBondContact O-N 2.89Å |
| 82 | W | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 43 Ų | 43 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -36.8 | -157.1 | -61.3 | 107.5 | 0 | 0 | 0 | 114.2 | I77 N78 N92 L93 C94 I116 | I77-W82 HydrophobicContact CG2-CB 3.4Å; I77-W82 VanDerWaalsContact CG2-CB 3.4Å; I77-W82 HydrophobicContact CG2-CG 4.03Å; N78-W82 PolarHBondContact O-N 3.19Å; W82-N92 CarbonylContact O-C 3.52Å; W82-L93 HydrophobicContact CE3-CB 3.77Å; W82-L93 HydrophobicContact CE3-CD1 4.08Å; W82-L93 HydrophobicContact CH2-CD1 4.2Å; W82-L93 HydrophobicContact CZ3-CB 3.98Å; W82-L93 HydrophobicContact CZ3-CD1 3.86Å; W82-L93 PolarHBondContact O-N 3.5Å; W82-C94 WeakPolarHBondContact O-CA 3.18Å; W82-C94 WeakPolarHBondContact O-CB 3.32Å; W82-C94 PolarHBondContact O-N 2.71Å; W82-I116 HydrophobicContact CD2-CD1 3.84Å; W82-I116 HydrophobicContact CD2-CG1 3.48Å; W82-I116 VanDerWaalsContact CD2-CG1 3.48Å; W82-I116 HydrophobicContact CE3-CD1 4.28Å; W82-I116 HydrophobicContact CE3-CG1 3.51Å; W82-I116 HydrophobicContact CG-CD1 3.95Å; W82-I116 HydrophobicContact CG-CG1 4.14Å; W82-I116 HydrophobicContact CH2-CB 4.17Å; W82-I116 HydrophobicContact CH2-CG1 3.78Å; W82-I116 HydrophobicContact CH2-CG2 4.28Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CG1 3.75Å; W82-I116 HydrophobicContact CZ2-CG2 3.95Å; W82-I116 HydrophobicContact CZ3-CB 4.4Å; W82-I116 HydrophobicContact CZ3-CG1 3.66Å |
| 83 | C | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -134.4 | 159.2 | -179.5 | 65.1 | 0 | 0 | 0 | 0 | 110.5 | S79 S90 N92 V96 C98 L101 | S79-C83 CarbonylContact C-O 3.54Å; S79-C83 WeakPolarHBondContact CA-O 3.3Å; C83-S90 PolarHBondContact O-OG 3.5Å; C83-N92 WeakPolarHBondContact CA-OD1 3.2Å; C83-V96 WeakPolarHBondContact CA-O 3.42Å; C83-V96 HydrophobicContact CB-CG1 3.73Å; C83-V96 WeakPolarHBondContact CB-O 3.27Å; C83-C98 HydrophobicContact CB-CB 3.98Å; C83-C98 WeakPolarHBondContact CB-SG 3.32Å; C83-C98 PolarHBondContact O-SG 2.82Å; C83-C98 VanDerWaalsContact SG-CA 3.52Å; C83-C98 WeakPolarHBondContact SG-CB 3.42Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.19Å; C83-L101 HydrophobicContact CB-CD1 3.8Å; C83-L101 VanDerWaalsContact SG-CD1 3.58Å | ||
| 84 | N | 98.5 | Very high | 97.5 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.214 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -101.2 | 122.4 | 176.8 | -163.1 | -18.3 | 0 | 0 | 0 | 111 | H86 N92 V96 D97 C98 | N84-H86 PolarHBondContact ND2-CE1 3.07Å; N84-H86 WeakPolarHBondContact OD1-CA 3.46Å; N84-H86 PolarHBondContact OD1-N 3.2Å; N84-H86 PolarHBondContact OD1-ND1 2.99Å; N84-N92 HydrophobicContact CB-CB 4.23Å; N84-N92 PolarHBondContact N-OD1 3.49Å; N84-V96 PolarHBondContact N-O 3.42Å; N84-D97 WeakPolarHBondContact O-CA 3.44Å; N84-C98 PolarHBondContact O-N 3.25Å |
| 85 | D | 97.8 | Very high | 97.5 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.059 | 27% | 0.265 | C | S | . | . | trans | -102.7 | -2 | 174.7 | 62.2 | 15.6 | 0 | 0 | 0 | 113.3 | Y72 S79 K87 S88 C98 | Y72-D85 HydrophobicContact CE2-CB 4.14Å; Y72-D85 WeakPolarHBondContact OH-CB 3.17Å; Y72-D85 PolarHBondContact OH-OD2 3.13Å; S79-D85 VanDerWaalsContact CB-OD2 3.25Å; S79-D85 WeakPolarHBondContact CB-OD2 3.45Å; S79-D85 PolarHBondContact OG-OD2 2.68Å; D85-K87 PolarHBondContact O-N 2.81Å; D85-K87 VanDerWaalsContact O-N 3.13Å; D85-K87 WeakPolarHBondContact OD1-CB 3.46Å; D85-K87 PolarHBondContact OD1-N 2.82Å; D85-S88 PolarHBondContact OD1-N 3Å; D85-C98 HydrophobicContact CB-CB 3.94Å; D85-C98 PolarHBondContact N-SG 2.87Å | ||
| 86 | H | 96.9 | Very high | 97.5 | Very high | 141 Ų | 141 | 55.5 Ų | 55.5 | 65% | 0.653 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 56.4 | 19.8 | -175.1 | -53.7 | -61.1 | 0 | 0 | 0 | 114.9 | N84 D97 | N84-H86 PolarHBondContact ND2-CE1 3.07Å; N84-H86 WeakPolarHBondContact OD1-CA 3.46Å; N84-H86 PolarHBondContact OD1-N 3.2Å; N84-H86 PolarHBondContact OD1-ND1 2.99Å; H86-D97 IonicContact CD2-OD2 3.96Å; H86-D97 IonicContact NE2-OD2 3.89Å |
| 87 | K | 94.2 | Very high | 97.5 | Very high | 139 Ų | 139 | 57.8 Ų | 57.8 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -109.4 | -31.5 | 177.9 | -64.2 | 176.8 | -175.6 | -179 | 0 | 112.8 | F70 D85 | F70-K87 HydrophobicContact CE2-CD 4.38Å; D85-K87 PolarHBondContact O-N 2.81Å; D85-K87 VanDerWaalsContact O-N 3.13Å; D85-K87 WeakPolarHBondContact OD1-CB 3.46Å; D85-K87 PolarHBondContact OD1-N 2.82Å |
| 88 | S | 89.5 | Confident | 97.5 | Very high | 36 Ų | 36 | 57.7 Ų | 57.7 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -135.4 | 172.4 | -180 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | D85 | D85-S88 PolarHBondContact OD1-N 3Š|
| 89 | H | 95.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 61.5 Ų | 61.5 | 56% | 0.56 | 30% | 0.299 | S | S | * | . | trans | -62.8 | 137.8 | 173.3 | 176.2 | 78.2 | 0 | 0 | 0 | 110.1 | E91 | H89-E91 IonicContact CD2-OE1 3.76Å; H89-E91 IonicContact CE1-OE1 3.74Å; H89-E91 IonicContact NE2-OE1 2.79Å; H89-E91 PolarHBondContact NE2-OE1 3.05Å | ||
| 90 | S | 97.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | trans | -141.6 | 135.3 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | S79 H80 C83 N92 | S79-S90 WeakPolarHBondContact O-CB 2.87Å; S79-S90 PolarHBondContact O-OG 3.45Å; H80-S90 WeakPolarHBondContact O-CA 3.49Å; C83-S90 PolarHBondContact O-OG 3.5Å; S90-N92 VanDerWaalsContact C-N 3.3Å; S90-N92 PolarHBondContact OG-N 3.1Å | ||
| 91 | E | 98.1 | Very high | 97.4 | Very high | 107 Ų | 107 | 63.3 Ų | 63.3 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | trans | -76 | -19.4 | 168 | -57.5 | -58.3 | 142.4 | 0 | 0 | 112.6 | H80 Y81 H89 L93 | H80-E91 PolarHBondContact O-N 3.14Å; Y81-E91 HydrophobicContact CD1-CG 4.46Å; H89-E91 IonicContact CD2-OE1 3.76Å; H89-E91 IonicContact CE1-OE1 3.74Å; H89-E91 IonicContact NE2-OE1 2.79Å; H89-E91 PolarHBondContact NE2-OE1 3.05Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 HydrophobicContact CB-CD2 4.47Å; E91-L93 HydrophobicContact CB-CG 4.13Å; E91-L93 PolarHBondContact O-N 3.24Å | ||
| 92 | N | 98.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | trans | 46.1 | 46.6 | 178.7 | -168 | 27.8 | 0 | 0 | 0 | 114.8 | Y81 W82 C83 N84 S90 C94 D95 V96 | Y81-N92 PolarHBondContact O-N 3.3Å; W82-N92 CarbonylContact O-C 3.52Å; C83-N92 WeakPolarHBondContact CA-OD1 3.2Å; N84-N92 HydrophobicContact CB-CB 4.23Å; N84-N92 PolarHBondContact N-OD1 3.49Å; S90-N92 VanDerWaalsContact C-N 3.3Å; S90-N92 PolarHBondContact OG-N 3.1Å; N92-C94 PolarHBondContact O-N 3.07Å; N92-C94 VanDerWaalsContact O-N 3.13Å; N92-D95 PolarHBondContact O-N 3.41Å; N92-D95 PolarHBondContact OD1-N 2.89Å; N92-V96 PolarHBondContact OD1-N 3.01Å; N92-V96 PolarHBondContact OD1-O 2.72Å; N92-V96 VanDerWaalsContact OD1-O 3.14Å | ||
| 93 | L | 98.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 52% | 0.524 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.7 | -175.1 | -65.4 | 172.3 | 0 | 0 | 0 | 114.1 | Y81 W82 E91 | Y81-L93 WeakPolarHBondContact O-CB 3.36Å; Y81-L93 VanDerWaalsContact O-CG 3.28Å; Y81-L93 WeakPolarHBondContact O-CG 3.32Å; Y81-L93 PolarHBondContact O-N 2.89Å; W82-L93 HydrophobicContact CE3-CB 3.77Å; W82-L93 HydrophobicContact CE3-CD1 4.08Å; W82-L93 HydrophobicContact CH2-CD1 4.2Å; W82-L93 HydrophobicContact CZ3-CB 3.98Å; W82-L93 HydrophobicContact CZ3-CD1 3.86Å; W82-L93 PolarHBondContact O-N 3.5Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 HydrophobicContact CB-CD2 4.47Å; E91-L93 HydrophobicContact CB-CG 4.13Å; E91-L93 PolarHBondContact O-N 3.24Å |
| 94 | C | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.4 | 174.5 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | W82 N92 V96 C112 K115 | W82-C94 WeakPolarHBondContact O-CA 3.18Å; W82-C94 WeakPolarHBondContact O-CB 3.32Å; W82-C94 PolarHBondContact O-N 2.71Å; N92-C94 PolarHBondContact O-N 3.07Å; N92-C94 VanDerWaalsContact O-N 3.13Å; C94-V96 HydrophobicContact CB-CG1 3.69Å; C94-C112 HydrophobicContact CB-CB 3.65Å; C94-C112 WeakPolarHBondContact CB-SG 3.22Å; C94-C112 WeakPolarHBondContact SG-CA 3.42Å; C94-C112 WeakPolarHBondContact SG-CB 3.5Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 3.38Å; C94-K115 HydrophobicContact CB-CD 4.32Å; C94-K115 PolarHBondContact O-NZ 2.89Å |
| 95 | D | 98.2 | Very high | 97 | Very high | 136 Ų | 136 | 64.5 Ų | 64.5 | 73% | 0.727 | 33% | 0.331 | S | S | * | . | trans | 55 | 55.7 | -172.9 | -165.8 | 31.8 | 0 | 0 | 0 | 112.2 | N92 | N92-D95 PolarHBondContact O-N 3.41Å; N92-D95 PolarHBondContact OD1-N 2.89Å | ||
| 96 | V | 98.4 | Very high | 97 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | trans | -147.1 | 143.8 | -173.4 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | C83 N84 N92 C94 E100 L101 | C83-V96 WeakPolarHBondContact CA-O 3.42Å; C83-V96 HydrophobicContact CB-CG1 3.73Å; C83-V96 WeakPolarHBondContact CB-O 3.27Å; N84-V96 PolarHBondContact N-O 3.42Å; N92-V96 PolarHBondContact OD1-N 3.01Å; N92-V96 PolarHBondContact OD1-O 2.72Å; N92-V96 VanDerWaalsContact OD1-O 3.14Å; C94-V96 HydrophobicContact CB-CG1 3.69Å; V96-E100 HydrophobicContact CG2-CB 3.88Å; V96-E100 HydrophobicContact CG2-CG 4.24Å; V96-E100 WeakPolarHBondContact CG2-OE2 3Å; V96-L101 HydrophobicContact CG1-CD2 4.17Å; V96-L101 HydrophobicContact CG2-CD2 4.45Å | ||
| 97 | D | 98.5 | Very high | 97 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 130.5 | 169.3 | -171.6 | -51.8 | 0 | 0 | 0 | 109.5 | N84 H86 Q99 E100 | N84-D97 WeakPolarHBondContact O-CA 3.44Å; H86-D97 IonicContact CD2-OD2 3.96Å; H86-D97 IonicContact NE2-OD2 3.89Å; D97-Q99 PolarHBondContact O-N 2.68Å; D97-Q99 VanDerWaalsContact OD1-CB 3.26Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.28Å; D97-Q99 VanDerWaalsContact OD1-CG 3.3Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.27Å; D97-E100 HydrophobicContact CB-CG 4.42Å; D97-E100 WeakPolarHBondContact O-CB 3.02Å; D97-E100 PolarHBondContact O-N 2.96Å |
| 98 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -58.5 | -23.6 | -179.1 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | Y72 S79 C83 N84 D85 E100 L101 | Y72-C98 HydrophobicContact CD1-CB 3.74Å; Y72-C98 WeakPolarHBondContact CD1-O 3.35Å; Y72-C98 HydrophobicContact CD2-CB 3.69Å; Y72-C98 HydrophobicContact CE1-CB 3.74Å; Y72-C98 HydrophobicContact CE2-CB 3.68Å; Y72-C98 HydrophobicContact CG-CB 3.73Å; S79-C98 VanDerWaalsContact CB-SG 3.55Å; C83-C98 HydrophobicContact CB-CB 3.98Å; C83-C98 WeakPolarHBondContact CB-SG 3.32Å; C83-C98 PolarHBondContact O-SG 2.82Å; C83-C98 VanDerWaalsContact SG-CA 3.52Å; C83-C98 WeakPolarHBondContact SG-CB 3.42Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.19Å; N84-C98 PolarHBondContact O-N 3.25Å; D85-C98 HydrophobicContact CB-CB 3.94Å; D85-C98 PolarHBondContact N-SG 2.87Å; C98-E100 VanDerWaalsContact C-N 3.28Å; C98-E100 PolarHBondContact O-N 2.03Å; C98-L101 WeakPolarHBondContact O-CB 3.34Å; C98-L101 PolarHBondContact O-N 3.5Å |
| 99 | Q | 97.9 | Very high | 97.7 | Very high | 103 Ų | 103 | 54 Ų | 54 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -64.6 | -31.1 | 174.1 | -63.1 | -56.2 | -44.6 | 0 | 0 | 112.6 | D97 L101 L102 | D97-Q99 PolarHBondContact O-N 2.68Å; D97-Q99 VanDerWaalsContact OD1-CB 3.26Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.28Å; D97-Q99 VanDerWaalsContact OD1-CG 3.3Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.35Å; Q99-L102 WeakPolarHBondContact O-CB 3.42Å; Q99-L102 PolarHBondContact O-N 3.38Å; Q99-L102 VanDerWaalsContact O-N 3.16Å |
| 100 | E | 98.1 | Very high | 97.9 | Very high | 93 Ų | 93 | 48.3 Ų | 48.3 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.9 | -26.5 | 176.1 | -64.8 | -170.6 | -163.2 | 0 | 0 | 112.1 | V96 D97 C98 L102 S103 S108 | V96-E100 HydrophobicContact CG2-CB 3.88Å; V96-E100 HydrophobicContact CG2-CG 4.24Å; V96-E100 WeakPolarHBondContact CG2-OE2 3Å; D97-E100 HydrophobicContact CB-CG 4.42Å; D97-E100 WeakPolarHBondContact O-CB 3.02Å; D97-E100 PolarHBondContact O-N 2.96Å; C98-E100 VanDerWaalsContact C-N 3.28Å; C98-E100 PolarHBondContact O-N 2.03Å; E100-L102 PolarHBondContact O-N 3.13Å; E100-S103 WeakPolarHBondContact O-CB 3.05Å; E100-S103 PolarHBondContact O-N 3.04Å; E100-S103 VanDerWaalsContact O-N 3.16Å; E100-S108 PolarHBondContact OE2-OG 2.82Å |
| 101 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -72.9 | -11.1 | 179.3 | -51.7 | -176.8 | 0 | 0 | 0 | 113.2 | I77 C83 V96 C98 Q99 T109 | I77-L101 HydrophobicContact CB-CD1 3.89Å; I77-L101 HydrophobicContact CD1-CD1 4.25Å; I77-L101 HydrophobicContact CG2-CD1 3.81Å; C83-L101 HydrophobicContact CB-CD1 3.8Å; C83-L101 VanDerWaalsContact SG-CD1 3.58Å; V96-L101 HydrophobicContact CG1-CD2 4.17Å; V96-L101 HydrophobicContact CG2-CD2 4.45Å; C98-L101 WeakPolarHBondContact O-CB 3.34Å; C98-L101 PolarHBondContact O-N 3.5Å; Q99-L101 PolarHBondContact O-N 3.35Å; L101-T109 WeakPolarHBondContact CA-OG1 3.29Å; L101-T109 PolarHBondContact O-OG1 3.2Å |
| 102 | L | 97.8 | Very high | 97.9 | Very high | 35 Ų | 35 | 46.4 Ų | 46.4 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -92.7 | -0.7 | 175.2 | -52.6 | -179.8 | 0 | 0 | 0 | 112.5 | V62 Y72 Q99 E100 | V62-L102 HydrophobicContact CG2-CD1 3.85Å; V62-L102 HydrophobicContact CG2-CD2 3.72Å; V62-L102 HydrophobicContact CG2-CG 4.45Å; Y72-L102 HydrophobicContact CD1-CD1 4.19Å; Y72-L102 HydrophobicContact CD1-CD2 4.03Å; Y72-L102 HydrophobicContact CD1-CG 4.17Å; Q99-L102 WeakPolarHBondContact O-CB 3.42Å; Q99-L102 PolarHBondContact O-N 3.38Å; Q99-L102 VanDerWaalsContact O-N 3.16Å; E100-L102 PolarHBondContact O-N 3.13Å |
| 103 | S | 95.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -67.9 | 141.3 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | I59 E100 N105 | I59-S103 WeakPolarHBondContact CG2-O 3.32Å; E100-S103 WeakPolarHBondContact O-CB 3.05Å; E100-S103 PolarHBondContact O-N 3.04Å; E100-S103 VanDerWaalsContact O-N 3.16Å; S103-N105 WeakPolarHBondContact CB-O 3.34Å; S103-N105 PolarHBondContact O-N 2.89Å; S103-N105 PolarHBondContact OG-N 3.27Å; S103-N105 VanDerWaalsContact OG-N 3.12Å; S103-N105 PolarHBondContact OG-O 2.78Å |
| 104 | P | 94.4 | Very high | 98 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -61 | -26 | 168 | 33.4 | -43.8 | 0 | 0 | 0 | 112.4 | Q18 L106 | Q18-P104 VanDerWaalsContact CD-CG 3.47Å; Q18-P104 HydrophobicContact CG-CB 4.41Å; P104-L106 PolarHBondContact O-N 3.14Å |
| 105 | N | 95.9 | Very high | 98 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -81 | 107.3 | 170.5 | 180 | -16.4 | 0 | 0 | 0 | 107.4 | S103 L107 | S103-N105 WeakPolarHBondContact CB-O 3.34Å; S103-N105 PolarHBondContact O-N 2.89Å; S103-N105 PolarHBondContact OG-N 3.27Å; S103-N105 VanDerWaalsContact OG-N 3.12Å; S103-N105 PolarHBondContact OG-O 2.78Å; N105-L107 PolarHBondContact O-N 3.26Å; N105-L107 WeakPolarHBondContact OD1-CB 3.42Å; N105-L107 WeakPolarHBondContact OD1-CG 3.36Å; N105-L107 PolarHBondContact OD1-N 3.21Å; N105-L107 VanDerWaalsContact OD1-N 3.14Å |
| 106 | L | 97.8 | Very high | 98 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | trans | -79.1 | 4.2 | -171.4 | -60.6 | -178.3 | 0 | 0 | 0 | 114.2 | I22 L27 V30 I59 I74 P104 S108 T109 I110 | I22-L106 HydrophobicContact CD1-CD1 4.15Å; L27-L106 HydrophobicContact CD1-CD1 3.55Å; V30-L106 HydrophobicContact CG1-CB 4.37Å; V30-L106 HydrophobicContact CG1-CD1 4.24Å; I59-L106 HydrophobicContact CG1-CD2 4.24Å; I59-L106 HydrophobicContact CG2-CD2 3.8Å; I74-L106 HydrophobicContact CG2-CD2 4.4Å; P104-L106 PolarHBondContact O-N 3.14Å; L106-S108 PolarHBondContact O-N 3.46Å; L106-T109 CarbonylContact O-C 3.5Å; L106-T109 WeakPolarHBondContact O-CB 3.16Å; L106-T109 PolarHBondContact O-N 3.48Å; L106-I110 HydrophobicContact CB-CD1 3.78Å; L106-I110 HydrophobicContact CB-CG1 4.19Å; L106-I110 WeakPolarHBondContact O-CB 3.14Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.34Å; L106-I110 PolarHBondContact O-N 2.99Å | ||
| 107 | L | 98.4 | Very high | 98 | Very high | 65 Ų | 65 | 39.2 Ų | 39.2 | 34% | 0.34 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.3 | -51.8 | -175.1 | -73.6 | 177.2 | 0 | 0 | 0 | 113.4 | E34 N105 T109 I110 N111 | E34-L107 HydrophobicContact CG-CD2 4.15Å; E34-L107 VanDerWaalsContact OE1-CD2 3.29Å; E34-L107 WeakPolarHBondContact OE1-CD2 3.39Å; E34-L107 WeakPolarHBondContact OE2-CD2 3.39Å; N105-L107 PolarHBondContact O-N 3.26Å; N105-L107 WeakPolarHBondContact OD1-CB 3.42Å; N105-L107 WeakPolarHBondContact OD1-CG 3.36Å; N105-L107 PolarHBondContact OD1-N 3.21Å; N105-L107 VanDerWaalsContact OD1-N 3.14Å; L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 PolarHBondContact O-N 2.66Å; L107-I110 PolarHBondContact O-N 2.96Å; L107-N111 WeakPolarHBondContact O-CB 3.3Å; L107-N111 VanDerWaalsContact O-CG 3.25Å; L107-N111 PolarHBondContact O-N 3.08Å; L107-N111 PolarHBondContact O-ND2 3.04Å |
| 108 | S | 98.5 | Very high | 98 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | E100 L106 C112 | E100-S108 PolarHBondContact OE2-OG 2.82Å; L106-S108 PolarHBondContact O-N 3.46Å; S108-C112 WeakPolarHBondContact O-CB 3.42Å; S108-C112 PolarHBondContact O-N 2.81Å |
| 109 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.6 | -61 | 0 | 0 | 0 | 0 | 113.1 | I74 F75 I77 L101 L106 L107 C112 A113 | I74-T109 HydrophobicContact CG2-CG2 3.85Å; F75-T109 HydrophobicContact CD2-CG2 3.59Å; F75-T109 HydrophobicContact CE2-CG2 4.08Å; F75-T109 HydrophobicContact CG-CG2 4.45Å; I77-T109 HydrophobicContact CD1-CG2 4.29Å; L101-T109 WeakPolarHBondContact CA-OG1 3.29Å; L101-T109 PolarHBondContact O-OG1 3.2Å; L106-T109 CarbonylContact O-C 3.5Å; L106-T109 WeakPolarHBondContact O-CB 3.16Å; L106-T109 PolarHBondContact O-N 3.48Å; L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 PolarHBondContact O-N 2.66Å; T109-C112 PolarHBondContact O-N 3Å; T109-A113 WeakPolarHBondContact O-CB 3.31Å; T109-A113 PolarHBondContact O-N 3.03Å |
| 110 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 179.9 | -73.3 | 166.4 | 0 | 0 | 0 | 110.5 | V30 L31 E34 L36 L106 L107 C112 A113 K114 | V30-I110 HydrophobicContact CG1-CD1 3.93Å; L31-I110 HydrophobicContact CD2-CD1 4Å; L31-I110 HydrophobicContact CD2-CG1 4.09Å; E34-I110 HydrophobicContact CB-CD1 4.01Å; E34-I110 HydrophobicContact CB-CG2 3.99Å; E34-I110 HydrophobicContact CG-CD1 3.81Å; L36-I110 HydrophobicContact CD1-CD1 4.48Å; L36-I110 HydrophobicContact CD1-CG1 4.13Å; L36-I110 HydrophobicContact CD1-CG2 3.77Å; L36-I110 HydrophobicContact CD2-CG2 4.38Å; L36-I110 HydrophobicContact CG-CG2 4.18Å; L106-I110 HydrophobicContact CB-CD1 3.78Å; L106-I110 HydrophobicContact CB-CG1 4.19Å; L106-I110 WeakPolarHBondContact O-CB 3.14Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.34Å; L106-I110 PolarHBondContact O-N 2.99Å; L107-I110 PolarHBondContact O-N 2.96Å; I110-C112 VanDerWaalsContact C-N 3.34Å; I110-C112 PolarHBondContact O-N 2.83Å; I110-A113 PolarHBondContact O-N 3.46Å; I110-K114 HydrophobicContact CG2-CD 4.43Å; I110-K114 WeakPolarHBondContact O-CG 3.15Å; I110-K114 PolarHBondContact O-N 3.2Å |
| 111 | N | 98.8 | Very high | 97.5 | Very high | 86 Ų | 86 | 39.1 Ų | 39.1 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 177.6 | -73.4 | -26 | 0 | 0 | 0 | 111.8 | L107 K114 K115 | L107-N111 WeakPolarHBondContact O-CB 3.3Å; L107-N111 VanDerWaalsContact O-CG 3.25Å; L107-N111 PolarHBondContact O-N 3.08Å; L107-N111 PolarHBondContact O-ND2 3.04Å; N111-K114 PolarHBondContact O-N 3.48Å; N111-K115 PolarHBondContact O-N 3.28Å |
| 112 | C | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.4 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | I77 C94 S108 T109 I110 K114 K115 I116 | I77-C112 HydrophobicContact CD1-CB 4.02Å; C94-C112 HydrophobicContact CB-CB 3.65Å; C94-C112 WeakPolarHBondContact CB-SG 3.22Å; C94-C112 WeakPolarHBondContact SG-CA 3.42Å; C94-C112 WeakPolarHBondContact SG-CB 3.5Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 3.38Å; S108-C112 WeakPolarHBondContact O-CB 3.42Å; S108-C112 PolarHBondContact O-N 2.81Å; T109-C112 PolarHBondContact O-N 3Å; I110-C112 VanDerWaalsContact C-N 3.34Å; I110-C112 PolarHBondContact O-N 2.83Å; C112-K114 VanDerWaalsContact C-N 3.33Å; C112-K114 PolarHBondContact O-N 3.37Å; C112-K115 WeakPolarHBondContact O-CB 3.4Å; C112-K115 PolarHBondContact O-N 2.78Å; C112-K115 VanDerWaalsContact O-N 3.12Å; C112-I116 WeakPolarHBondContact O-CG1 3.25Å; C112-I116 PolarHBondContact O-N 3.34Å |
| 113 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W47 F75 T109 I110 I116 V117 W126 | W47-A113 HydrophobicContact CH2-CB 4.23Å; W47-A113 HydrophobicContact CZ3-CB 3.87Å; F75-A113 HydrophobicContact CD2-CB 3.74Å; F75-A113 HydrophobicContact CE2-CB 4Å; T109-A113 WeakPolarHBondContact O-CB 3.31Å; T109-A113 PolarHBondContact O-N 3.03Å; I110-A113 PolarHBondContact O-N 3.46Å; A113-I116 PolarHBondContact O-N 2.8Å; A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 3.27Å; A113-W126 HydrophobicContact CB-CH2 4.4Å |
| 114 | K | 98.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 171.2 | -75.8 | -179.5 | 175.7 | 176.7 | 0 | 111.3 | E34 L36 F39 I110 N111 C112 I116 V117 S118 | E34-K114 VanDerWaalsContact O-CE 3.26Å; E34-K114 WeakPolarHBondContact O-CE 3.41Å; E34-K114 PolarHBondContact O-NZ 3.08Å; L36-K114 HydrophobicContact CD2-CD 4.25Å; L36-K114 HydrophobicContact CD2-CG 3.69Å; F39-K114 HydrophobicContact CD1-CG 4.2Å; F39-K114 HydrophobicContact CD2-CD 4.47Å; F39-K114 HydrophobicContact CD2-CG 4.46Å; F39-K114 HydrophobicContact CE1-CB 3.84Å; F39-K114 HydrophobicContact CE1-CG 3.81Å; F39-K114 HydrophobicContact CE2-CB 4.43Å; F39-K114 HydrophobicContact CE2-CD 4.1Å; F39-K114 HydrophobicContact CE2-CG 4.1Å; F39-K114 HydrophobicContact CZ-CB 3.71Å; F39-K114 HydrophobicContact CZ-CD 4.22Å; F39-K114 HydrophobicContact CZ-CG 3.77Å; I110-K114 HydrophobicContact CG2-CD 4.43Å; I110-K114 WeakPolarHBondContact O-CG 3.15Å; I110-K114 PolarHBondContact O-N 3.2Å; N111-K114 PolarHBondContact O-N 3.48Å; C112-K114 VanDerWaalsContact C-N 3.33Å; C112-K114 PolarHBondContact O-N 3.37Å; K114-I116 VanDerWaalsContact C-N 3.32Å; K114-I116 PolarHBondContact O-N 3.04Å; K114-V117 PolarHBondContact O-N 3.2Å; K114-S118 PolarHBondContact O-N 2.79Å; K114-S118 PolarHBondContact O-OG 2.8Å |
| 115 | K | 98.6 | Very high | 97.6 | Very high | 103 Ų | 103 | 42 Ų | 42 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 175.4 | -71.4 | 179.6 | 173.6 | -175.7 | 0 | 112 | C94 N111 C112 S119 | C94-K115 HydrophobicContact CB-CD 4.32Å; C94-K115 PolarHBondContact O-NZ 2.89Å; N111-K115 PolarHBondContact O-N 3.28Å; C112-K115 WeakPolarHBondContact O-CB 3.4Å; C112-K115 PolarHBondContact O-N 2.78Å; C112-K115 VanDerWaalsContact O-N 3.12Å; K115-S119 PolarHBondContact O-N 3.05Å |
| 116 | I | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 178 | -60.4 | 167.9 | 0 | 0 | 0 | 110.8 | I77 W82 C112 A113 K114 S119 N125 W126 | I77-I116 HydrophobicContact CD1-CD1 4.36Å; I77-I116 HydrophobicContact CG1-CD1 4.08Å; I77-I116 HydrophobicContact CG2-CD1 4.23Å; W82-I116 HydrophobicContact CD2-CD1 3.84Å; W82-I116 HydrophobicContact CD2-CG1 3.48Å; W82-I116 VanDerWaalsContact CD2-CG1 3.48Å; W82-I116 HydrophobicContact CE3-CD1 4.28Å; W82-I116 HydrophobicContact CE3-CG1 3.51Å; W82-I116 HydrophobicContact CG-CD1 3.95Å; W82-I116 HydrophobicContact CG-CG1 4.14Å; W82-I116 HydrophobicContact CH2-CB 4.17Å; W82-I116 HydrophobicContact CH2-CG1 3.78Å; W82-I116 HydrophobicContact CH2-CG2 4.28Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CG1 3.75Å; W82-I116 HydrophobicContact CZ2-CG2 3.95Å; W82-I116 HydrophobicContact CZ3-CB 4.4Å; W82-I116 HydrophobicContact CZ3-CG1 3.66Å; C112-I116 WeakPolarHBondContact O-CG1 3.25Å; C112-I116 PolarHBondContact O-N 3.34Å; A113-I116 PolarHBondContact O-N 2.8Å; K114-I116 VanDerWaalsContact C-N 3.32Å; K114-I116 PolarHBondContact O-N 3.04Å; I116-S119 WeakPolarHBondContact O-CB 3.1Å; I116-S119 PolarHBondContact O-N 2.86Å; I116-S119 VanDerWaalsContact O-N 3.12Å; I116-S119 PolarHBondContact O-OG 3.16Å; I116-N125 HydrophobicContact CG2-CB 4.08Å; I116-W126 HydrophobicContact CB-CH2 3.51Å; I116-W126 HydrophobicContact CB-CZ2 4.2Å; I116-W126 HydrophobicContact CB-CZ3 4.05Å; I116-W126 HydrophobicContact CD1-CH2 3.87Å; I116-W126 HydrophobicContact CD1-CZ2 3.63Å; I116-W126 HydrophobicContact CG1-CH2 4.27Å; I116-W126 HydrophobicContact CG1-CZ2 4.5Å; I116-W126 HydrophobicContact CG2-CE3 4.19Å; I116-W126 HydrophobicContact CG2-CH2 3.3Å; I116-W126 HydrophobicContact CG2-CZ2 3.94Å; I116-W126 HydrophobicContact CG2-CZ3 3.41Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.41Å |
| 117 | V | 98.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.5 | -31.7 | -178.1 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | F39 E40 Y42 W47 A113 K114 S119 G122 M123 W126 | F39-V117 HydrophobicContact CD1-CG1 4.28Å; F39-V117 HydrophobicContact CE1-CB 4.3Å; F39-V117 HydrophobicContact CE1-CG1 4.32Å; E40-V117 HydrophobicContact CB-CG1 3.65Å; E40-V117 HydrophobicContact CG-CG1 3.96Å; Y42-V117 HydrophobicContact CD2-CG1 3.61Å; Y42-V117 HydrophobicContact CE2-CG1 3.57Å; W47-V117 HydrophobicContact CH2-CB 4.24Å; W47-V117 HydrophobicContact CH2-CG2 3.45Å; W47-V117 VanDerWaalsContact CH2-CG2 3.45Å; W47-V117 HydrophobicContact CZ2-CG2 4.03Å; W47-V117 HydrophobicContact CZ3-CG2 4.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 3.27Å; K114-V117 PolarHBondContact O-N 3.2Å; V117-S119 PolarHBondContact O-N 2.75Å; V117-G122 VanDerWaalsContact O-CA 3.28Å; V117-G122 WeakPolarHBondContact O-CA 3.17Å; V117-M123 HydrophobicContact CG2-CG 3.81Å; V117-W126 HydrophobicContact CG2-CH2 3.99Å; V117-W126 HydrophobicContact CG2-CZ3 3.6Å |
| 118 | S | 98.3 | Very high | 97.6 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.7 | -10.5 | 171.9 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | F39 E40 K114 | F39-S118 WeakPolarHBondContact CZ-OG 3.41Å; E40-S118 WeakPolarHBondContact OE1-CB 3.47Å; E40-S118 PolarHBondContact OE1-OG 3Å; K114-S118 PolarHBondContact O-N 2.79Å; K114-S118 PolarHBondContact O-OG 2.8Å |
| 119 | S | 96 | Very high | 97.6 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -78.4 | 168 | 173.2 | 83.6 | 0 | 0 | 0 | 0 | 112.3 | K115 I116 V117 G121 G122 N125 | K115-S119 PolarHBondContact O-N 3.05Å; I116-S119 WeakPolarHBondContact O-CB 3.1Å; I116-S119 PolarHBondContact O-N 2.86Å; I116-S119 VanDerWaalsContact O-N 3.12Å; I116-S119 PolarHBondContact O-OG 3.16Å; V117-S119 PolarHBondContact O-N 2.75Å; S119-G121 PolarHBondContact O-N 3.29Å; S119-G122 PolarHBondContact O-N 3.47Å; S119-G122 VanDerWaalsContact O-N 3.16Å; S119-N125 PolarHBondContact OG-ND2 3.31Å |
| 120 | A | 94.3 | Very high | 97.6 | Very high | 96 Ų | 96 | 44.1 Ų | 44.1 | 79% | 0.793 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 128.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N125 | A120-N125 PolarHBondContact O-ND2 3.24Š|
| 121 | G | 94.2 | Very high | 97.6 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -16.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S119 M123 K124 | S119-G121 PolarHBondContact O-N 3.29Å; G121-M123 PolarHBondContact O-N 2.04Å; G121-K124 WeakPolarHBondContact O-CB 3.49Å; G121-K124 WeakPolarHBondContact O-CG 3.11Å; G121-K124 PolarHBondContact O-N 2.88Å |
| 122 | G | 97.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 50 Ų | 50 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | 55.4 | -136.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V117 S119 K124 N125 | V117-G122 VanDerWaalsContact O-CA 3.28Å; V117-G122 WeakPolarHBondContact O-CA 3.17Å; S119-G122 PolarHBondContact O-N 3.47Å; S119-G122 VanDerWaalsContact O-N 3.16Å; G122-K124 PolarHBondContact O-N 3.46Å; G122-K124 VanDerWaalsContact O-N 3.1Å; G122-N125 WeakPolarHBondContact O-CB 3.39Å; G122-N125 PolarHBondContact O-N 3.28Å; G122-N125 PolarHBondContact O-ND2 3.28Å |
| 123 | M | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -64.6 | -12.6 | 176.7 | -74.8 | -165 | 173.4 | 0 | 0 | 114.2 | Y42 D46 W47 V117 G121 N125 W126 W129 | Y42-M123 HydrophobicContact CD1-CB 4.13Å; Y42-M123 HydrophobicContact CD1-CE 4.26Å; Y42-M123 HydrophobicContact CD1-CG 3.76Å; Y42-M123 HydrophobicContact CD1-SD 3.47Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.45Å; Y42-M123 HydrophobicContact CD2-CE 4.48Å; Y42-M123 HydrophobicContact CD2-CG 4.01Å; Y42-M123 HydrophobicContact CD2-SD 4.43Å; Y42-M123 HydrophobicContact CE1-CB 3.66Å; Y42-M123 HydrophobicContact CE1-CG 3.78Å; Y42-M123 HydrophobicContact CE1-SD 4.01Å; Y42-M123 HydrophobicContact CE2-CB 4.38Å; Y42-M123 HydrophobicContact CE2-CG 4.04Å; Y42-M123 HydrophobicContact CG-CE 3.89Å; Y42-M123 HydrophobicContact CG-CG 3.87Å; Y42-M123 HydrophobicContact CG-SD 3.71Å; Y42-M123 PolarHBondContact OH-N 3.45Å; D46-M123 HydrophobicContact CB-CE 4.08Å; D46-M123 HydrophobicContact CB-SD 3.79Å; W47-M123 HydrophobicContact CD2-CE 3.14Å; W47-M123 HydrophobicContact CE3-CE 3.46Å; W47-M123 VanDerWaalsContact CE3-CE 3.46Å; W47-M123 HydrophobicContact CG-CE 3.66Å; W47-M123 HydrophobicContact CH2-CE 3.78Å; W47-M123 HydrophobicContact CZ2-CE 3.45Å; W47-M123 VanDerWaalsContact CZ2-CE 3.45Å; W47-M123 HydrophobicContact CZ3-CE 3.75Å; V117-M123 HydrophobicContact CG2-CG 3.81Å; G121-M123 PolarHBondContact O-N 2.04Å; M123-N125 PolarHBondContact O-N 3.16Å; M123-W126 PolarHBondContact O-N 3.12Å; M123-W126 VanDerWaalsContact O-N 3.07Å; M123-W129 HydrophobicContact CB-CD2 3.71Å; M123-W129 HydrophobicContact CB-CE3 3.65Å; M123-W129 HydrophobicContact CB-CG 4.37Å; M123-W129 HydrophobicContact CB-CH2 4.04Å; M123-W129 HydrophobicContact CB-CZ2 4.08Å; M123-W129 HydrophobicContact CB-CZ3 3.82Å; M123-W129 HydrophobicContact SD-CD2 4.18Å; M123-W129 HydrophobicContact SD-CG 4.44Å; M123-W129 HydrophobicContact SD-CZ2 3.96Å; M123-W129 PolarHBondContact SD-NE1 2.93Å |
| 124 | K | 96.9 | Very high | 97.5 | Very high | 114 Ų | 114 | 51.9 Ų | 51.9 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -69.5 | -10.9 | 177.5 | -57.4 | 173.3 | -178.1 | 172.1 | 0 | 113.2 | G121 G122 W126 W129 R130 | G121-K124 WeakPolarHBondContact O-CB 3.49Å; G121-K124 WeakPolarHBondContact O-CG 3.11Å; G121-K124 PolarHBondContact O-N 2.88Å; G122-K124 PolarHBondContact O-N 3.46Å; G122-K124 VanDerWaalsContact O-N 3.1Å; K124-W126 PolarHBondContact O-N 3.2Å; K124-W129 HydrophobicContact CG-CZ3 4.04Å; K124-R130 PolarHBondContact O-NH1 2.83Å; K124-R130 VanDerWaalsContact O-NH1 3.16Å |
| 125 | N | 96.6 | Very high | 97.4 | Very high | 77 Ų | 77 | 54.2 Ų | 54.2 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.8 | -27.7 | 169.2 | -73.7 | -50.9 | 0 | 0 | 0 | 111.8 | I116 S119 A120 G122 M123 V127 | I116-N125 HydrophobicContact CG2-CB 4.08Å; S119-N125 PolarHBondContact OG-ND2 3.31Å; A120-N125 PolarHBondContact O-ND2 3.24Å; G122-N125 WeakPolarHBondContact O-CB 3.39Å; G122-N125 PolarHBondContact O-N 3.28Å; G122-N125 PolarHBondContact O-ND2 3.28Å; M123-N125 PolarHBondContact O-N 3.16Å; N125-V127 PolarHBondContact O-N 3.02Å |
| 126 | W | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -87.7 | 106.6 | 169.8 | -71.8 | -86.4 | 0 | 0 | 0 | 111 | L50 Q54 F75 A113 I116 V117 M123 K124 G128 W129 R130 | L50-W126 HydrophobicContact CD1-CB 3.56Å; L50-W126 HydrophobicContact CD1-CD2 3.91Å; L50-W126 HydrophobicContact CD1-CG 3.43Å; L50-W126 VanDerWaalsContact CD1-CG 3.43Å; L50-W126 HydrophobicContact CD2-CD2 4.08Å; L50-W126 HydrophobicContact CD2-CE3 4.31Å; L50-W126 HydrophobicContact CD2-CG 4.47Å; L50-W126 HydrophobicContact CD2-CZ2 4.38Å; Q54-W126 VanDerWaalsContact NE2-CD1 3.34Å; F75-W126 HydrophobicContact CB-CZ2 4.46Å; F75-W126 PolarHBondContact O-NE1 2.92Å; A113-W126 HydrophobicContact CB-CH2 4.4Å; I116-W126 HydrophobicContact CB-CH2 3.51Å; I116-W126 HydrophobicContact CB-CZ2 4.2Å; I116-W126 HydrophobicContact CB-CZ3 4.05Å; I116-W126 HydrophobicContact CD1-CH2 3.87Å; I116-W126 HydrophobicContact CD1-CZ2 3.63Å; I116-W126 HydrophobicContact CG1-CH2 4.27Å; I116-W126 HydrophobicContact CG1-CZ2 4.5Å; I116-W126 HydrophobicContact CG2-CE3 4.19Å; I116-W126 HydrophobicContact CG2-CH2 3.3Å; I116-W126 HydrophobicContact CG2-CZ2 3.94Å; I116-W126 HydrophobicContact CG2-CZ3 3.41Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.41Å; V117-W126 HydrophobicContact CG2-CH2 3.99Å; V117-W126 HydrophobicContact CG2-CZ3 3.6Å; M123-W126 PolarHBondContact O-N 3.12Å; M123-W126 VanDerWaalsContact O-N 3.07Å; K124-W126 PolarHBondContact O-N 3.2Å; W126-G128 VanDerWaalsContact C-N 3.27Å; W126-G128 PolarHBondContact O-N 2.87Å; W126-W129 HydrophobicContact CB-CB 3.98Å; W126-W129 PolarHBondContact O-N 3.23Å; W126-W129 VanDerWaalsContact O-N 3.15Å; W126-R130 PolarHBondContact O-N 3.38Å |
| 127 | V | 96.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | N125 W129 R130 L131 | N125-V127 PolarHBondContact O-N 3.02Å; V127-W129 PolarHBondContact O-N 3.46Å; V127-R130 PolarHBondContact O-N 3.24Å; V127-L131 HydrophobicContact CG1-CD1 3.83Å; V127-L131 HydrophobicContact CG1-CG 4.3Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.15Å |
| 128 | G | 97.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 61.6 Ų | 61.6 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W126 L131 H132 | W126-G128 VanDerWaalsContact C-N 3.27Å; W126-G128 PolarHBondContact O-N 2.87Å; G128-L131 PolarHBondContact O-N 2.91Å; G128-H132 WeakPolarHBondContact O-CB 3.39Å; G128-H132 PolarHBondContact O-CD2 2.94Å; G128-H132 VanDerWaalsContact O-CD2 3.27Å; G128-H132 PolarHBondContact O-N 2.91Å |
| 129 | W | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.03 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 176.5 | -179.2 | 93.4 | 0 | 0 | 0 | 112 | Y42 D46 L50 M123 K124 W126 V127 L131 H132 C133 S134 | Y42-W129 HydrophobicContact CD1-CH2 4.27Å; Y42-W129 AromaticContact CD1-CZ2 3.99Å; Y42-W129 HydrophobicContact CD1-CZ2 3.99Å; Y42-W129 AromaticContact CE1-CH2 3.66Å; Y42-W129 HydrophobicContact CE1-CH2 3.66Å; Y42-W129 AromaticContact CE1-CZ2 3.85Å; Y42-W129 HydrophobicContact CE1-CZ2 3.85Å; Y42-W129 HydrophobicContact CE1-CZ3 4.46Å; D46-W129 HydrophobicContact CB-CZ2 4.42Å; D46-W129 PolarHBondContact O-NE1 3.14Å; D46-W129 WeakPolarHBondContact OD1-CZ2 3.03Å; L50-W129 HydrophobicContact CB-CG 4.46Å; L50-W129 HydrophobicContact CD1-CB 3.74Å; L50-W129 HydrophobicContact CD1-CG 4.43Å; M123-W129 HydrophobicContact CB-CD2 3.71Å; M123-W129 HydrophobicContact CB-CE3 3.65Å; M123-W129 HydrophobicContact CB-CG 4.37Å; M123-W129 HydrophobicContact CB-CH2 4.04Å; M123-W129 HydrophobicContact CB-CZ2 4.08Å; M123-W129 HydrophobicContact CB-CZ3 3.82Å; M123-W129 HydrophobicContact SD-CD2 4.18Å; M123-W129 HydrophobicContact SD-CG 4.44Å; M123-W129 HydrophobicContact SD-CZ2 3.96Å; M123-W129 PolarHBondContact SD-NE1 2.93Å; K124-W129 HydrophobicContact CG-CZ3 4.04Å; W126-W129 HydrophobicContact CB-CB 3.98Å; W126-W129 PolarHBondContact O-N 3.23Å; W126-W129 VanDerWaalsContact O-N 3.15Å; V127-W129 PolarHBondContact O-N 3.46Å; W129-L131 VanDerWaalsContact C-N 3.29Å; W129-L131 PolarHBondContact O-N 3.22Å; W129-H132 PolarHBondContact O-N 3.46Å; W129-C133 HydrophobicContact CB-CB 4.43Å; W129-C133 VanDerWaalsContact CD1-SG 3.58Å; W129-C133 HydrophobicContact CD2-CB 4.1Å; W129-C133 HydrophobicContact CG-CB 3.72Å; W129-C133 WeakPolarHBondContact O-CA 3.49Å; W129-C133 VanDerWaalsContact O-CB 3.26Å; W129-C133 WeakPolarHBondContact O-CB 3.47Å; W129-C133 PolarHBondContact O-N 2.99Å; W129-S134 WeakPolarHBondContact CH2-OG 3.11Å; W129-S134 WeakPolarHBondContact CZ3-OG 3.45Å; W129-S134 PolarHBondContact O-N 3.43Å |
| 130 | R | 98.1 | Very high | 97.3 | Very high | 125 Ų | 125 | 66.8 Ų | 66.8 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 177.4 | -174.4 | 171.8 | 67 | -144.8 | 8 | 112.5 | K124 W126 V127 | K124-R130 PolarHBondContact O-NH1 2.83Å; K124-R130 VanDerWaalsContact O-NH1 3.16Å; W126-R130 PolarHBondContact O-N 3.38Å; V127-R130 PolarHBondContact O-N 3.24Å |
| 131 | L | 98.3 | Very high | 97.4 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -80.8 | -35.4 | -177.3 | -65.9 | 175.5 | 0 | 0 | 0 | 113.2 | V127 G128 W129 R136 | V127-L131 HydrophobicContact CG1-CD1 3.83Å; V127-L131 HydrophobicContact CG1-CG 4.3Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.15Å; G128-L131 PolarHBondContact O-N 2.91Å; W129-L131 VanDerWaalsContact C-N 3.29Å; W129-L131 PolarHBondContact O-N 3.22Å; L131-R136 PolarHBondContact O-NH2 2.94Å; L131-R136 VanDerWaalsContact O-NH2 3.16Å |
| 132 | H | 98.3 | Very high | 97.6 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -114.7 | -10.9 | -166.4 | -61.4 | -69.8 | 0 | 0 | 0 | 115.1 | V53 G128 W129 R136 | V53-H132 HydrophobicContact CB-CB 4.45Å; V53-H132 HydrophobicContact CG1-CB 3.74Å; G128-H132 WeakPolarHBondContact O-CB 3.39Å; G128-H132 PolarHBondContact O-CD2 2.94Å; G128-H132 VanDerWaalsContact O-CD2 3.27Å; G128-H132 PolarHBondContact O-N 2.91Å; W129-H132 PolarHBondContact O-N 3.46Å; H132-R136 WeakPolarHBondContact O-CD 3.36Å; H132-R136 PolarHBondContact O-NE 3.07Å |
| 133 | C | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -45.3 | -176.6 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | C49 W129 G135 R136 L138 | C49-C133 VanDerWaalsContact C-SG 3.52Å; C49-C133 HydrophobicContact CB-CB 3.79Å; C49-C133 WeakPolarHBondContact CB-SG 3.39Å; C49-C133 VanDerWaalsContact SG-CA 3.58Å; C49-C133 WeakPolarHBondContact SG-CB 3.13Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 2.05Å; W129-C133 HydrophobicContact CB-CB 4.43Å; W129-C133 VanDerWaalsContact CD1-SG 3.58Å; W129-C133 HydrophobicContact CD2-CB 4.1Å; W129-C133 HydrophobicContact CG-CB 3.72Å; W129-C133 WeakPolarHBondContact O-CA 3.49Å; W129-C133 VanDerWaalsContact O-CB 3.26Å; W129-C133 WeakPolarHBondContact O-CB 3.47Å; W129-C133 PolarHBondContact O-N 2.99Å; C133-G135 PolarHBondContact O-N 3.44Å; C133-R136 WeakPolarHBondContact O-CB 3.41Å; C133-R136 PolarHBondContact O-N 2.94Å; C133-R136 VanDerWaalsContact O-N 3.15Å; C133-L138 HydrophobicContact CB-CD1 4.15Å |
| 134 | S | 98 | Very high | 97.6 | Very high | 43 Ų | 43 | 70.2 Ų | 70.2 | 30% | 0.301 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 129.4 | -174.3 | -162.1 | 0 | 0 | 0 | 0 | 112.7 | W129 R136 | W129-S134 WeakPolarHBondContact CH2-OG 3.11Å; W129-S134 WeakPolarHBondContact CZ3-OG 3.45Å; W129-S134 PolarHBondContact O-N 3.43Å; S134-R136 PolarHBondContact O-N 2.79Å |
| 135 | G | 96.7 | Very high | 97.7 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 91% | 0.907 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 10.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C133 | C133-G135 PolarHBondContact O-N 3.44Š|
| 136 | R | 97.1 | Very high | 97.7 | Very high | 143 Ų | 143 | 69.5 Ų | 69.5 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -102.3 | 156.2 | 178.3 | -63.1 | 177.8 | -174 | -91.1 | 2 | 111.2 | L131 H132 C133 S134 L138 | L131-R136 PolarHBondContact O-NH2 2.94Å; L131-R136 VanDerWaalsContact O-NH2 3.16Å; H132-R136 WeakPolarHBondContact O-CD 3.36Å; H132-R136 PolarHBondContact O-NE 3.07Å; C133-R136 WeakPolarHBondContact O-CB 3.41Å; C133-R136 PolarHBondContact O-N 2.94Å; C133-R136 VanDerWaalsContact O-N 3.15Å; S134-R136 PolarHBondContact O-N 2.79Å; R136-L138 HydrophobicContact CB-CD2 4.25Å; R136-L138 PolarHBondContact O-N 3.13Å |
| 137 | P | 97.5 | Very high | 97.4 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 71% | 0.708 | 40% | 0.403 | S | S | * | . | trans | -69.4 | 113.5 | 170 | 28 | -32.8 | 0 | 0 | 0 | 109.8 | Y140 | P137-Y140 WeakPolarHBondContact O-CE1 3.5Š| ||
| 138 | L | 98.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.073 | 44% | 0.442 | C | S | . | . | trans | -107.7 | -0 | -175.5 | -63.8 | -174.5 | 0 | 0 | 0 | 113.9 | S45 D46 C49 C133 R136 Y140 W141 | S45-L138 WeakPolarHBondContact CB-O 3.47Å; S45-L138 PolarHBondContact OG-O 2.95Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.48Å; C49-L138 HydrophobicContact CB-CD1 4.08Å; C49-L138 HydrophobicContact CB-CD2 4.17Å; C133-L138 HydrophobicContact CB-CD1 4.15Å; R136-L138 HydrophobicContact CB-CD2 4.25Å; R136-L138 PolarHBondContact O-N 3.13Å; L138-Y140 PolarHBondContact O-N 2.96Å; L138-W141 WeakPolarHBondContact O-CB 3.09Å; L138-W141 VanDerWaalsContact O-CD1 3.26Å; L138-W141 PolarHBondContact O-N 3.04Å | ||
| 139 | S | 96.8 | Very high | 96.3 | Very high | 94 Ų | 94 | 76.6 Ų | 76.6 | 66% | 0.657 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -56.9 | -26.5 | -174.4 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | W141 M142 | S139-W141 PolarHBondContact O-N 3.04Å; S139-M142 PolarHBondContact O-N 2.95Å; S139-M142 VanDerWaalsContact O-N 3.12Å |
| 140 | Y | 97.1 | Very high | 96.2 | Very high | 123 Ų | 123 | 80.2 Ų | 80.2 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -62.4 | -22.9 | 176.8 | 71.8 | -94.7 | 0 | 0 | 0 | 113.1 | P137 L138 M142 T143 | P137-Y140 WeakPolarHBondContact O-CE1 3.5Å; L138-Y140 PolarHBondContact O-N 2.96Å; Y140-M142 PolarHBondContact O-N 3.1Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.49Å; Y140-T143 WeakPolarHBondContact O-CB 3.49Å; Y140-T143 PolarHBondContact O-N 3.23Å; Y140-T143 VanDerWaalsContact O-N 3.13Å; Y140-T143 PolarHBondContact O-OG1 3.28Å |
| 141 | W | 98.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 77.7 Ų | 77.7 | 8% | 0.076 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -64.3 | -17.3 | 175.5 | -74.8 | 110.7 | 0 | 0 | 0 | 113.4 | R24 L48 C49 F52 F57 L138 S139 | R24-W141 WeakPolarHBondContact CD-O 3.42Å; R24-W141 HydrophobicContact CG-CE3 4.23Å; R24-W141 PolarHBondContact NH1-O 3.17Å; L48-W141 HydrophobicContact CB-CB 4.03Å; L48-W141 HydrophobicContact CB-CD2 4.18Å; L48-W141 HydrophobicContact CB-CE3 4.11Å; L48-W141 HydrophobicContact CB-CG 4.16Å; L48-W141 HydrophobicContact CD1-CB 4Å; L48-W141 VanDerWaalsContact CD1-O 3.22Å; L48-W141 WeakPolarHBondContact CD1-O 3.16Å; C49-W141 HydrophobicContact CB-CZ2 4.39Å; F52-W141 HydrophobicContact CB-CH2 3.46Å; F52-W141 VanDerWaalsContact CB-CH2 3.46Å; F52-W141 HydrophobicContact CB-CZ2 4.01Å; F52-W141 HydrophobicContact CB-CZ3 4.06Å; F52-W141 AromaticContact CD1-CH2 3.64Å; F52-W141 HydrophobicContact CD1-CH2 3.64Å; F52-W141 HydrophobicContact CD1-CZ2 4.04Å; F52-W141 AromaticContact CD2-CH2 3.84Å; F52-W141 HydrophobicContact CD2-CH2 3.84Å; F52-W141 HydrophobicContact CD2-CZ3 4.35Å; F52-W141 HydrophobicContact CE1-CH2 4.32Å; F52-W141 HydrophobicContact CE2-CH2 4.46Å; F52-W141 AromaticContact CG-CH2 3.36Å; F52-W141 HydrophobicContact CG-CH2 3.36Å; F52-W141 HydrophobicContact CG-CZ2 4.09Å; F52-W141 HydrophobicContact CG-CZ3 4.17Å; F57-W141 AromaticContact CE2-CZ3 3.97Å; F57-W141 HydrophobicContact CE2-CZ3 3.97Å; F57-W141 HydrophobicContact CZ-CE3 4.12Å; F57-W141 HydrophobicContact CZ-CH2 4.26Å; F57-W141 AromaticContact CZ-CZ3 3.52Å; F57-W141 HydrophobicContact CZ-CZ3 3.52Å; L138-W141 WeakPolarHBondContact O-CB 3.09Å; L138-W141 VanDerWaalsContact O-CD1 3.26Å; L138-W141 PolarHBondContact O-N 3.04Å; S139-W141 PolarHBondContact O-N 3.04Å |
| 142 | M | 98.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 76.4 Ų | 76.4 | 23% | 0.232 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -104.8 | -3.2 | 175.7 | -69.3 | -60.5 | -67.1 | 0 | 0 | 113.5 | A28 L44 S45 L48 S139 Y140 G144 C145 L147 | A28-M142 HydrophobicContact CB-CE 4.35Å; A28-M142 HydrophobicContact CB-SD 3.97Å; L44-M142 HydrophobicContact CB-SD 3.97Å; L44-M142 HydrophobicContact CD1-CE 4.01Å; L44-M142 HydrophobicContact CD1-SD 4.36Å; S45-M142 WeakPolarHBondContact OG-CG 3.33Å; L48-M142 HydrophobicContact CD1-SD 3.7Å; S139-M142 PolarHBondContact O-N 2.95Å; S139-M142 VanDerWaalsContact O-N 3.12Å; Y140-M142 PolarHBondContact O-N 3.1Å; M142-G144 PolarHBondContact O-N 3.15Å; M142-C145 HydrophobicContact CE-CB 4.22Å; M142-C145 PolarHBondContact O-N 3.17Å; M142-L147 HydrophobicContact CE-CD1 3.87Å; M142-L147 HydrophobicContact CE-CD2 4.14Å; M142-L147 HydrophobicContact CE-CG 4.16Å |
| 143 | T | 98.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 74.3 Ų | 74.3 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 123.7 | -178.9 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | R24 Y140 C145 | R24-T143 PolarHBondContact NH1-O 3.13Å; R24-T143 PolarHBondContact NH2-O 3.47Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.49Å; Y140-T143 WeakPolarHBondContact O-CB 3.49Å; Y140-T143 PolarHBondContact O-N 3.23Å; Y140-T143 VanDerWaalsContact O-N 3.13Å; Y140-T143 PolarHBondContact O-OG1 3.28Å; T143-C145 VanDerWaalsContact C-N 3.26Å; T143-C145 PolarHBondContact O-N 3.27Å |
| 144 | G | 97.6 | Very high | 95.6 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 7.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | M142 | M142-G144 PolarHBondContact O-N 3.15Š|
| 145 | C | 98 | Very high | 95.4 | Very high | 18 Ų | 18 | 81.8 Ų | 81.8 | 12% | 0.122 | 52% | 0.52 | C | S | . | . | trans | -87.2 | 137.2 | 170.7 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | R24 C25 M142 T143 | R24-C145 PolarHBondContact NH1-SG 3.19Å; C25-C145 WeakPolarHBondContact CA-SG 3.26Å; C25-C145 HydrophobicContact CB-CB 3.72Å; C25-C145 WeakPolarHBondContact CB-SG 3.3Å; C25-C145 WeakPolarHBondContact SG-CA 3.44Å; C25-C145 WeakPolarHBondContact SG-CB 3.39Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.35Å; M142-C145 HydrophobicContact CE-CB 4.22Å; M142-C145 PolarHBondContact O-N 3.17Å; T143-C145 VanDerWaalsContact C-N 3.26Å; T143-C145 PolarHBondContact O-N 3.27Å | ||
| 146 | H | 95.8 | Very high | 95.3 | Very high | 158 Ų | 158 | 81.3 Ų | 81.3 | 73% | 0.731 | 49% | 0.49 | S | S | * | . | trans | -119.2 | 124.2 | 175.7 | -59.2 | -72.6 | 0 | 0 | 0 | 108.2 | ||||
| 147 | L | 93.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 76.2 Ų | 76.2 | 28% | 0.277 | 49% | 0.486 | S | S | . | . | trans | -97.6 | -4.7 | -175.2 | -58.3 | 178.4 | 0 | 0 | 0 | 113.3 | A28 K29 H32 L44 M142 | A28-L147 HydrophobicContact CB-CD2 4.26Å; K29-L147 HydrophobicContact CB-CD2 4.46Å; H32-L147 HydrophobicContact CB-CD1 4.2Å; H32-L147 HydrophobicContact CB-CD2 4.2Å; L44-L147 HydrophobicContact CD1-CD1 3.85Å; M142-L147 HydrophobicContact CE-CD1 3.87Å; M142-L147 HydrophobicContact CE-CD2 4.14Å; M142-L147 HydrophobicContact CE-CG 4.16Å | ||
| 148 | G | 73.8 | Confident | 95 | Very high | 126 Ų | 126 | 73.2 Ų | 73.2 | 100% | 1.299 | 47% | 0.466 | S | S | * | . | trans | -93.4 | 0 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 |
Retrieved 148 of 148 residues in 165 ms
(Link to these results)