| 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 | 35.7 | Very low | 33.8 | Very low | 247 Ų | 247 | 154.4 Ų | 154.4 | 100% | 1.217 | 84% | 0.84 | S | S | * | * | 0 | 124.5 | 0 | -86 | 169.9 | 171.1 | 0 | 0 | 108.3 | |||||
| 2 | A | 32.4 | Very low | 33.8 | Very low | 93 Ų | 93 | 154.4 Ų | 154.4 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | 41.4 | 121.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3 | S | 30.9 | Very low | 33.9 | Very low | 109 Ų | 109 | 160.5 Ų | 160.5 | 76% | 0.762 | 84% | 0.842 | S | S | * | * | cis | 118.5 | 126.3 | 49.7 | -78.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 4 | R | 35.7 | Very low | 34.3 | Very low | 248 Ų | 248 | 160 Ų | 160 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | 169.8 | 107 | 125.9 | -94.7 | 171.1 | 177 | -158.3 | -1.3 | 111.5 | |||||
| 5 | S | 36.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | trans | -73.2 | 161.6 | 154.4 | -42.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 6 | P | 41 | Very low | 34.6 | Very low | 130 Ų | 130 | 153.3 Ų | 153.3 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | trans | -109.9 | 131.4 | 145.2 | 13.7 | 5.6 | 0 | 0 | 0 | 110.8 | ||||
| 7 | S | 34 | Very low | 34.8 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -93.9 | 149.3 | 170.7 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 8 | I | 33.6 | Very low | 35 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 82% | 0.821 | 82% | 0.822 | S | S | * | * | trans | 156.8 | 140.4 | 141.4 | 51.9 | -161.7 | 0 | 0 | 0 | 108 | ||||
| 9 | H | 29.2 | Very low | 35 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 78% | 0.778 | 82% | 0.823 | S | S | * | * | cis | -157.7 | 157.9 | 11.8 | -142.4 | -92.2 | 0 | 0 | 0 | 108.9 | ||||
| 10 | L | 35.1 | Very low | 35.3 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 71% | 0.707 | 82% | 0.821 | S | S | * | * | trans | -52.9 | 141.8 | 175 | -81.6 | 72.3 | 0 | 0 | 0 | 114 | ||||
| 11 | E | 28 | Very low | 35.5 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | -142 | 110 | 128.2 | -79.4 | -163 | 91.5 | 0 | 0 | 109.4 | R13 | E11-R13 PolarHBondContact O-N 3.38Š| |||
| 12 | D | 33.4 | Very low | 36 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -63.9 | 116.7 | 164.5 | -97 | -58.9 | 0 | 0 | 0 | 108.8 | ||||
| 13 | R | 35 | Very low | 36.7 | Very low | 233 Ų | 233 | 140.7 Ų | 140.7 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -139.3 | 90.9 | 168.1 | -152.9 | 171.7 | 146.9 | -173.7 | -7.5 | 109.7 | E11 P15 | E11-R13 PolarHBondContact O-N 3.38Å; R13-P15 VanDerWaalsContact O-CD 3.32Å; R13-P15 WeakPolarHBondContact O-CD 3.32Å | ||
| 14 | D | 39.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -54.1 | 125.5 | 169.1 | -153.1 | -24.3 | 0 | 0 | 0 | 110.7 | ||||
| 15 | P | 38.3 | Very low | 38.3 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -110.2 | 113 | 158 | 21 | -1.1 | 0 | 0 | 0 | 109.4 | R13 | R13-P15 VanDerWaalsContact O-CD 3.32Å; R13-P15 WeakPolarHBondContact O-CD 3.32Å | ||
| 16 | S | 34.7 | Very low | 39.4 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -14.4 | 146.2 | 160 | -104.6 | 0 | 0 | 0 | 0 | 117.2 | V18 | S16-V18 PolarHBondContact O-N 2.91Š| ||
| 17 | P | 38.2 | Very low | 40.5 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 109.2 | 177.3 | 29.2 | -30.9 | 0 | 0 | 0 | 109 | M19 | P17-M19 VanDerWaalsContact C-N 3.32Å; P17-M19 PolarHBondContact O-N 2.96Å | ||
| 18 | V | 38.5 | Very low | 42.7 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | -63.4 | 101.5 | 166.4 | -169.7 | 0 | 0 | 0 | 0 | 105.8 | S16 A20 | S16-V18 PolarHBondContact O-N 2.91Å; V18-A20 PolarHBondContact O-N 2.89Å | ||
| 19 | M | 35.9 | Very low | 45.4 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | trans | -53.6 | 110.4 | 170.3 | -75.1 | 178.1 | 60 | 0 | 0 | 107.2 | P17 A21 | P17-M19 VanDerWaalsContact C-N 3.32Å; P17-M19 PolarHBondContact O-N 2.96Å; M19-A21 PolarHBondContact O-N 2.98Å | ||
| 20 | A | 40 | Very low | 48.5 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 79% | 0.793 | 71% | 0.709 | S | S | * | * | trans | -55.5 | 105.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | V18 A22 | V18-A20 PolarHBondContact O-N 2.89Å; A20-A22 VanDerWaalsContact C-N 3.27Å; A20-A22 PolarHBondContact O-N 3.01Å | ||
| 21 | A | 40.9 | Very low | 51.3 | Low | 97 Ų | 97 | 117.1 Ų | 117.1 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | trans | -62 | 98 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | M19 C23 | M19-A21 PolarHBondContact O-N 2.98Å; A21-C23 VanDerWaalsContact C-N 3.26Å; A21-C23 PolarHBondContact O-N 2.9Å | ||
| 22 | A | 44.7 | Very low | 54.6 | Low | 98 Ų | 98 | 107.9 Ų | 107.9 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | trans | -60.8 | 98.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | A20 A24 | A20-A22 VanDerWaalsContact C-N 3.27Å; A20-A22 PolarHBondContact O-N 3.01Å; A22-A24 PolarHBondContact O-N 2.87Å | ||
| 23 | C | 47.1 | Very low | 57.4 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 85% | 0.851 | 64% | 0.64 | S | S | * | * | trans | -56.1 | 111.1 | 166.7 | -121.8 | 0 | 0 | 0 | 0 | 106.1 | A21 | A21-C23 VanDerWaalsContact C-N 3.26Å; A21-C23 PolarHBondContact O-N 2.9Å | ||
| 24 | A | 51.5 | Low | 60.3 | Low | 84 Ų | 84 | 98.4 Ų | 98.4 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | A22 S26 | A22-A24 PolarHBondContact O-N 2.87Å; A24-S26 PolarHBondContact O-N 2.77Å; A24-S26 VanDerWaalsContact O-N 3.14Å |
| 25 | P | 49.9 | Very low | 63 | Low | 99 Ų | 99 | 93.3 Ų | 93.3 | 64% | 0.643 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 125.3 | 178.9 | 21.5 | -30 | 0 | 0 | 0 | 108.3 | D29 | P25-D29 WeakPolarHBondContact CA-OD2 3.49Š|
| 26 | S | 58.9 | Low | 65.7 | Low | 65 Ų | 65 | 93.7 Ų | 93.7 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 149.1 | 170.6 | 84 | 0 | 0 | 0 | 0 | 107.2 | A24 Q28 D29 | A24-S26 PolarHBondContact O-N 2.77Å; A24-S26 VanDerWaalsContact O-N 3.14Å; S26-Q28 PolarHBondContact O-N 2.8Å; S26-D29 PolarHBondContact N-OD2 3.14Å; S26-D29 PolarHBondContact O-N 3.41Å; S26-D29 PolarHBondContact OG-OD1 3.45Å |
| 27 | S | 62.8 | Low | 68.6 | Low | 125 Ų | 125 | 91.5 Ų | 91.5 | 87% | 0.874 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 18.7 | -177.1 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 28 | Q | 81.8 | Confident | 71.4 | Confident | 107 Ų | 107 | 90.6 Ų | 90.6 | 50% | 0.5 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.2 | 21.7 | -173.3 | -63.2 | -178.7 | -10.1 | 0 | 0 | 112.9 | S26 L41 | S26-Q28 PolarHBondContact O-N 2.8Å; Q28-L41 HydrophobicContact CB-CB 4.39Å; Q28-L41 WeakPolarHBondContact O-CB 3.43Å; Q28-L41 PolarHBondContact O-N 2.93Å |
| 29 | D | 90.3 | Very high | 74.1 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 30% | 0.299 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.6 | 176.6 | -60.1 | -18.3 | 0 | 0 | 0 | 111.3 | P25 S26 L38 Q39 | P25-D29 WeakPolarHBondContact CA-OD2 3.49Å; S26-D29 PolarHBondContact N-OD2 3.14Å; S26-D29 PolarHBondContact O-N 3.41Å; S26-D29 PolarHBondContact OG-OD1 3.45Å; D29-L38 HydrophobicContact CB-CB 4.31Å; D29-L38 HydrophobicContact CB-CD2 4.38Å; D29-Q39 CarbonylContact C-O 3.59Å; D29-Q39 WeakPolarHBondContact CA-O 3.39Å |
| 30 | V | 93.9 | Very high | 76.9 | Confident | 28 Ų | 28 | 81.2 Ų | 81.2 | 17% | 0.17 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.9 | 178 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | C32 Q39 L41 I44 M53 | V30-C32 PolarHBondContact O-N 2.91Å; V30-Q39 PolarHBondContact N-O 2.86Å; V30-Q39 PolarHBondContact O-N 2.82Å; V30-L41 HydrophobicContact CG2-CD1 3.77Å; V30-I44 HydrophobicContact CB-CD1 3.9Å; V30-I44 HydrophobicContact CB-CG1 3.8Å; V30-I44 HydrophobicContact CG1-CD1 4.12Å; V30-I44 HydrophobicContact CG1-CG1 4.27Å; V30-I44 HydrophobicContact CG2-CG1 4.19Å; V30-M53 HydrophobicContact CG1-CB 4.45Å; V30-M53 HydrophobicContact CG1-CE 4.11Å; V30-M53 HydrophobicContact CG1-SD 4.24Å |
| 31 | F | 94.8 | Very high | 79.4 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.2 | 179.3 | -174.3 | -99 | 0 | 0 | 0 | 111.9 | L36 L38 | F31-L36 VanDerWaalsContact CE2-C 3.43Å; F31-L36 WeakPolarHBondContact CE2-O 3.36Å; F31-L36 HydrophobicContact CZ-CB 4.19Å; F31-L36 HydrophobicContact CZ-CD2 4.34Å; F31-L38 HydrophobicContact CB-CD2 4.03Å; F31-L38 HydrophobicContact CD2-CD2 4.3Å |
| 32 | C | 96.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 124.2 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | V30 L34 C35 L36 S37 Q39 C55 | V30-C32 PolarHBondContact O-N 2.91Å; C32-L34 VanDerWaalsContact C-N 3.31Å; C32-L34 PolarHBondContact O-N 3.3Å; C32-C35 VanDerWaalsContact CB-SG 3.57Å; C32-C35 VanDerWaalsContact SG-SG 3.63Å; C32-L36 WeakPolarHBondContact O-CA 3.4Å; C32-L36 PolarHBondContact O-N 3.15Å; C32-S37 PolarHBondContact N-O 3.06Å; C32-S37 PolarHBondContact O-N 3.1Å; C32-Q39 HydrophobicContact CB-CG 4.12Å; C32-C55 HydrophobicContact CB-CB 4.25Å; C32-C55 PolarHBondContact SG-N 3.33Å; C32-C55 VanDerWaalsContact SG-SG 3.64Å |
| 33 | K | 92.9 | Very high | 84.3 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.2 | -178.9 | -60.4 | -177.1 | -173.9 | 179.9 | 0 | 114.8 | L36 F54 D79 | K33-L36 WeakPolarHBondContact O-CD2 3.12Å; K33-F54 HydrophobicContact CB-CE1 4.31Å; K33-D79 IonicContact NZ-OD2 2.72Å; K33-D79 PolarHBondContact NZ-OD2 3.36Å |
| 34 | L | 95.3 | Very high | 86.6 | Confident | 70 Ų | 70 | 75 Ų | 75 | 37% | 0.366 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -48.2 | 179.7 | -71.6 | 173.8 | 0 | 0 | 0 | 112.3 | C32 F54 C58 P78 | C32-L34 VanDerWaalsContact C-N 3.31Å; C32-L34 PolarHBondContact O-N 3.3Å; L34-F54 HydrophobicContact CB-CD1 4.49Å; L34-F54 HydrophobicContact CD1-CB 4.3Å; L34-F54 HydrophobicContact CD1-CD1 3.67Å; L34-F54 HydrophobicContact CD1-CE1 4.21Å; L34-F54 HydrophobicContact CD1-CG 4.09Å; L34-F54 HydrophobicContact CG-CD1 3.64Å; L34-F54 HydrophobicContact CG-CE1 3.97Å; L34-C58 HydrophobicContact CB-CB 3.69Å; L34-C58 HydrophobicContact CD1-CB 3.74Å; L34-C58 HydrophobicContact CG-CB 4.37Å; L34-P78 HydrophobicContact CD1-CB 4.07Å; L34-P78 HydrophobicContact CD1-CG 4.14Å; L34-P78 HydrophobicContact CD2-CB 3.87Å; L34-P78 HydrophobicContact CG-CB 4.35Å |
| 35 | C | 96.6 | Very high | 88.6 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.2 | 174.7 | 60.9 | 0 | 0 | 0 | 0 | 114 | C32 S37 C58 | C32-C35 VanDerWaalsContact CB-SG 3.57Å; C32-C35 VanDerWaalsContact SG-SG 3.63Å; C35-S37 PolarHBondContact O-N 3.2Å; C35-S37 PolarHBondContact O-OG 2.82Å; C35-C58 WeakPolarHBondContact CB-SG 2.92Å |
| 36 | L | 95.4 | Very high | 90.7 | Very high | 122 Ų | 122 | 73.4 Ų | 73.4 | 64% | 0.639 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 33.9 | 179 | -52.5 | 177.5 | 0 | 0 | 0 | 113.5 | F31 C32 K33 | F31-L36 VanDerWaalsContact CE2-C 3.43Å; F31-L36 WeakPolarHBondContact CE2-O 3.36Å; F31-L36 HydrophobicContact CZ-CB 4.19Å; F31-L36 HydrophobicContact CZ-CD2 4.34Å; C32-L36 WeakPolarHBondContact O-CA 3.4Å; C32-L36 PolarHBondContact O-N 3.15Å; K33-L36 WeakPolarHBondContact O-CD2 3.12Å |
| 37 | S | 95.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 70.5 Ų | 70.5 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.7 | -174.1 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | C32 C35 | C32-S37 PolarHBondContact N-O 3.06Å; C32-S37 PolarHBondContact O-N 3.1Å; C35-S37 PolarHBondContact O-N 3.2Å; C35-S37 PolarHBondContact O-OG 2.82Å |
| 38 | L | 96.1 | Very high | 93.6 | Very high | 98 Ų | 98 | 70.1 Ų | 70.1 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.9 | 167.7 | -71.7 | 171.8 | 0 | 0 | 0 | 109.3 | D29 F31 | D29-L38 HydrophobicContact CB-CB 4.31Å; D29-L38 HydrophobicContact CB-CD2 4.38Å; F31-L38 HydrophobicContact CB-CD2 4.03Å; F31-L38 HydrophobicContact CD2-CD2 4.3Å |
| 39 | Q | 96.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 67.2 Ų | 67.2 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.6 | -176.4 | -62 | -71.7 | -73.8 | 0 | 0 | 108.6 | D29 V30 C32 I44 C55 | D29-Q39 CarbonylContact C-O 3.59Å; D29-Q39 WeakPolarHBondContact CA-O 3.39Å; V30-Q39 PolarHBondContact N-O 2.86Å; V30-Q39 PolarHBondContact O-N 2.82Å; C32-Q39 HydrophobicContact CB-CG 4.12Å; Q39-I44 HydrophobicContact CB-CD1 3.89Å; Q39-C55 HydrophobicContact CB-CB 4.09Å; Q39-C55 HydrophobicContact CG-CB 3.74Å |
| 40 | P | 94.8 | Very high | 94 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 146.7 | 178 | 28.3 | -33.9 | 0 | 0 | 0 | 110.1 | E42 A43 | P40-E42 PolarHBondContact O-N 3.02Å; P40-E42 VanDerWaalsContact O-N 3.15Å; P40-A43 HydrophobicContact CG-CB 3.84Å; P40-A43 PolarHBondContact O-N 2.77Å |
| 41 | L | 92.2 | Very high | 93.9 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 45% | 0.445 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -54.5 | -34.6 | -176.3 | -173.4 | 63.5 | 0 | 0 | 0 | 113 | Q28 V30 A43 I44 | Q28-L41 HydrophobicContact CB-CB 4.39Å; Q28-L41 WeakPolarHBondContact O-CB 3.43Å; Q28-L41 PolarHBondContact O-N 2.93Å; V30-L41 HydrophobicContact CG2-CD1 3.77Å; L41-A43 PolarHBondContact O-N 3.07Å; L41-I44 WeakPolarHBondContact O-CB 3.36Å; L41-I44 PolarHBondContact O-N 3.5Å; L41-I44 VanDerWaalsContact O-N 3.1Å |
| 42 | E | 93.2 | Very high | 93.8 | Very high | 147 Ų | 147 | 65.4 Ų | 65.4 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -67 | -23 | 178.8 | -58.9 | 76.1 | -165.7 | 0 | 0 | 112.9 | P40 | P40-E42 PolarHBondContact O-N 3.02Å; P40-E42 VanDerWaalsContact O-N 3.15Å |
| 43 | A | 94.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 26% | 0.256 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -95 | 9.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P40 L41 C55 T56 | P40-A43 HydrophobicContact CG-CB 3.84Å; P40-A43 PolarHBondContact O-N 2.77Å; L41-A43 PolarHBondContact O-N 3.07Å; A43-C55 CarbonylContact O-C 3.46Å; A43-C55 WeakPolarHBondContact O-CA 3.49Å; A43-C55 WeakPolarHBondContact O-CB 3.32Å; A43-T56 PolarHBondContact O-N 3.34Å; A43-T56 PolarHBondContact O-OG1 3.47Å; A43-T56 VanDerWaalsContact O-OG1 3.06Å |
| 44 | I | 95.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.2 | 177.3 | -61.5 | -65.3 | 0 | 0 | 0 | 110.4 | V30 Q39 L41 M53 C55 | V30-I44 HydrophobicContact CB-CD1 3.9Å; V30-I44 HydrophobicContact CB-CG1 3.8Å; V30-I44 HydrophobicContact CG1-CD1 4.12Å; V30-I44 HydrophobicContact CG1-CG1 4.27Å; V30-I44 HydrophobicContact CG2-CG1 4.19Å; Q39-I44 HydrophobicContact CB-CD1 3.89Å; L41-I44 WeakPolarHBondContact O-CB 3.36Å; L41-I44 PolarHBondContact O-N 3.5Å; L41-I44 VanDerWaalsContact O-N 3.1Å; I44-M53 HydrophobicContact CG2-CB 3.74Å; I44-M53 HydrophobicContact CG2-CG 4.03Å; I44-M53 HydrophobicContact CG2-SD 4.23Å; I44-C55 HydrophobicContact CD1-CB 4.25Å |
| 45 | N | 94.8 | Very high | 94 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.4 | 163.9 | -85.1 | -96 | 0 | 0 | 0 | 109.4 | M53 F54 T56 L59 | N45-M53 WeakPolarHBondContact O-CA 3.29Å; N45-F54 PolarHBondContact N-O 2.73Å; N45-F54 PolarHBondContact O-N 2.79Å; N45-T56 WeakPolarHBondContact ND2-CA 3.44Å; N45-T56 VanDerWaalsContact ND2-CB 3.32Å; N45-T56 WeakPolarHBondContact ND2-CB 3.23Å; N45-T56 WeakPolarHBondContact ND2-CG2 3.18Å; N45-T56 PolarHBondContact ND2-OG1 2.85Å; N45-L59 HydrophobicContact CB-CD2 3.78Å |
| 46 | E | 93.3 | Very high | 94 | Very high | 101 Ų | 101 | 60 Ų | 60 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.4 | 170.6 | -176.4 | -171.9 | 122 | 0 | 0 | 108.8 | K51 M53 | E46-K51 HydrophobicContact CG-CD 4.26Å; E46-K51 WeakPolarHBondContact OE1-CD 3.39Å; E46-K51 WeakPolarHBondContact OE1-CE 3.48Å; E46-K51 IonicContact OE1-NZ 3.51Å; E46-K51 PolarHBondContact OE1-NZ 3.26Å; E46-M53 HydrophobicContact CB-CG 4.11Å; E46-M53 HydrophobicContact CG-CG 4.14Å |
| 47 | L | 93.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | trans | -70.1 | 130.8 | 175 | -65.7 | 179.2 | 0 | 0 | 0 | 110.5 | G49 K51 C52 F54 L59 C77 L88 E92 | L47-G49 PolarHBondContact O-N 3.37Å; L47-K51 WeakPolarHBondContact O-CA 3.29Å; L47-K51 PolarHBondContact O-N 3.05Å; L47-C52 PolarHBondContact N-O 3.2Å; L47-F54 HydrophobicContact CD1-CD2 4.4Å; L47-F54 HydrophobicContact CD1-CE2 3.99Å; L47-L59 HydrophobicContact CD2-CD1 4.47Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; L47-C77 HydrophobicContact CD1-CB 4.24Å; L47-L88 HydrophobicContact CD1-CD1 4.16Å; L47-L88 HydrophobicContact CD2-CD1 4.48Å; L47-L88 HydrophobicContact CD2-CD2 4.22Å; L47-L88 HydrophobicContact CD2-CG 4.03Å; L47-E92 VanDerWaalsContact CA-OE1 3.23Å; L47-E92 WeakPolarHBondContact CA-OE1 3.22Å | ||
| 48 | E | 90.5 | Very high | 94.2 | Very high | 117 Ų | 117 | 55.2 Ų | 55.2 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -44.9 | -175.3 | -70.8 | -174.2 | -149 | 0 | 0 | 112 | K51 L89 E92 | E48-K51 WeakPolarHBondContact O-CE 3.49Å; E48-L89 HydrophobicContact CB-CD1 4.02Å; E48-E92 PolarHBondContact N-OE1 2.72Å |
| 49 | G | 86.8 | Confident | 94.2 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -32.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L47 | L47-G49 PolarHBondContact O-N 3.37Š|
| 50 | C | 92.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 9% | 0.088 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | -4.9 | -173.2 | 66.8 | 0 | 0 | 0 | 0 | 115.5 | C52 C77 C82 I84 | C50-C52 PolarHBondContact O-N 3.15Å; C50-C52 VanDerWaalsContact O-N 3.08Å; C50-C52 VanDerWaalsContact SG-SG 3.68Å; C50-C77 VanDerWaalsContact SG-SG 3.67Å; C50-C82 WeakPolarHBondContact CB-SG 3.36Å; C50-I84 HydrophobicContact CB-CB 4.1Å |
| 51 | K | 92.2 | Very high | 94.5 | Very high | 123 Ų | 123 | 55 Ų | 55 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | trans | 62.4 | 13.5 | 178.1 | -50.7 | -65.6 | 174.1 | -172.1 | 0 | 114.5 | E46 L47 E48 | E46-K51 HydrophobicContact CG-CD 4.26Å; E46-K51 WeakPolarHBondContact OE1-CD 3.39Å; E46-K51 WeakPolarHBondContact OE1-CE 3.48Å; E46-K51 IonicContact OE1-NZ 3.51Å; E46-K51 PolarHBondContact OE1-NZ 3.26Å; L47-K51 WeakPolarHBondContact O-CA 3.29Å; L47-K51 PolarHBondContact O-N 3.05Å; E48-K51 WeakPolarHBondContact O-CE 3.49Å | ||
| 52 | C | 93.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | trans | -70.2 | 136.7 | 171.2 | -65.8 | 0 | 0 | 0 | 0 | 109.6 | L47 C50 F54 C77 C82 | L47-C52 PolarHBondContact N-O 3.2Å; C50-C52 PolarHBondContact O-N 3.15Å; C50-C52 VanDerWaalsContact O-N 3.08Å; C50-C52 VanDerWaalsContact SG-SG 3.68Å; C52-F54 HydrophobicContact CB-CE2 3.6Å; C52-F54 HydrophobicContact CB-CZ 4.03Å; C52-C77 VanDerWaalsContact SG-SG 3.65Å; C52-C82 VanDerWaalsContact SG-SG 3.7Å | ||
| 53 | M | 94.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 47.1 Ų | 47.1 | 38% | 0.384 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.8 | -177.2 | -69.2 | -177.3 | -71 | 0 | 0 | 110.9 | V30 I44 N45 E46 | V30-M53 HydrophobicContact CG1-CB 4.45Å; V30-M53 HydrophobicContact CG1-CE 4.11Å; V30-M53 HydrophobicContact CG1-SD 4.24Å; I44-M53 HydrophobicContact CG2-CB 3.74Å; I44-M53 HydrophobicContact CG2-CG 4.03Å; I44-M53 HydrophobicContact CG2-SD 4.23Å; N45-M53 WeakPolarHBondContact O-CA 3.29Å; E46-M53 HydrophobicContact CB-CG 4.11Å; E46-M53 HydrophobicContact CG-CG 4.14Å |
| 54 | F | 96.3 | Very high | 95 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 153.8 | 175.3 | -54.4 | -83.8 | 0 | 0 | 0 | 109.2 | K33 L34 N45 L47 C52 L59 P78 D79 | K33-F54 HydrophobicContact CB-CE1 4.31Å; L34-F54 HydrophobicContact CB-CD1 4.49Å; L34-F54 HydrophobicContact CD1-CB 4.3Å; L34-F54 HydrophobicContact CD1-CD1 3.67Å; L34-F54 HydrophobicContact CD1-CE1 4.21Å; L34-F54 HydrophobicContact CD1-CG 4.09Å; L34-F54 HydrophobicContact CG-CD1 3.64Å; L34-F54 HydrophobicContact CG-CE1 3.97Å; N45-F54 PolarHBondContact N-O 2.73Å; N45-F54 PolarHBondContact O-N 2.79Å; L47-F54 HydrophobicContact CD1-CD2 4.4Å; L47-F54 HydrophobicContact CD1-CE2 3.99Å; C52-F54 HydrophobicContact CB-CE2 3.6Å; C52-F54 HydrophobicContact CB-CZ 4.03Å; F54-L59 HydrophobicContact CB-CB 4.4Å; F54-L59 HydrophobicContact CD2-CD1 4.13Å; F54-P78 HydrophobicContact CD2-CG 4.5Å; F54-P78 HydrophobicContact CE1-CB 4.17Å; F54-P78 HydrophobicContact CE1-CG 4.45Å; F54-P78 HydrophobicContact CE2-CG 4.08Å; F54-P78 HydrophobicContact CZ-CB 3.97Å; F54-P78 HydrophobicContact CZ-CG 4.02Å; F54-D79 HydrophobicContact CZ-CB 3.9Å |
| 55 | C | 97.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 146.7 | 172 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | C32 Q39 A43 I44 A57 C58 L59 | C32-C55 HydrophobicContact CB-CB 4.25Å; C32-C55 PolarHBondContact SG-N 3.33Å; C32-C55 VanDerWaalsContact SG-SG 3.64Å; Q39-C55 HydrophobicContact CB-CB 4.09Å; Q39-C55 HydrophobicContact CG-CB 3.74Å; A43-C55 CarbonylContact O-C 3.46Å; A43-C55 WeakPolarHBondContact O-CA 3.49Å; A43-C55 WeakPolarHBondContact O-CB 3.32Å; I44-C55 HydrophobicContact CD1-CB 4.25Å; C55-A57 VanDerWaalsContact C-N 3.27Å; C55-A57 PolarHBondContact O-N 2.94Å; C55-C58 PolarHBondContact O-N 3.12Å; C55-C58 VanDerWaalsContact O-N 3.15Å; C55-C58 PolarHBondContact SG-SG 3.17Å; C55-L59 PolarHBondContact O-N 3.44Å |
| 56 | T | 96.8 | Very high | 95 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 24% | 0.239 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -51 | -48.2 | -177.1 | -46.5 | 0 | 0 | 0 | 0 | 111.1 | A43 N45 C58 L59 Q60 | A43-T56 PolarHBondContact O-N 3.34Å; A43-T56 PolarHBondContact O-OG1 3.47Å; A43-T56 VanDerWaalsContact O-OG1 3.06Å; N45-T56 WeakPolarHBondContact ND2-CA 3.44Å; N45-T56 VanDerWaalsContact ND2-CB 3.32Å; N45-T56 WeakPolarHBondContact ND2-CB 3.23Å; N45-T56 WeakPolarHBondContact ND2-CG2 3.18Å; N45-T56 PolarHBondContact ND2-OG1 2.85Å; T56-C58 PolarHBondContact O-N 3.43Å; T56-L59 PolarHBondContact O-N 3.39Å; T56-Q60 HydrophobicContact CG2-CG 4.18Å; T56-Q60 WeakPolarHBondContact O-CB 3.37Å; T56-Q60 VanDerWaalsContact O-CG 3.23Å; T56-Q60 WeakPolarHBondContact O-CG 3.41Å; T56-Q60 PolarHBondContact O-N 2.85Å |
| 57 | A | 97.3 | Very high | 95.1 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59 | -45 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C55 Q61 | C55-A57 VanDerWaalsContact C-N 3.27Å; C55-A57 PolarHBondContact O-N 2.94Å; A57-Q61 WeakPolarHBondContact O-CG 3.23Å; A57-Q61 PolarHBondContact O-N 3.02Å; A57-Q61 VanDerWaalsContact O-N 3.12Å |
| 58 | C | 97.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 177.7 | -74.3 | 0 | 0 | 0 | 0 | 112.1 | L34 C35 C55 T56 Q61 Y62 | L34-C58 HydrophobicContact CB-CB 3.69Å; L34-C58 HydrophobicContact CD1-CB 3.74Å; L34-C58 HydrophobicContact CG-CB 4.37Å; C35-C58 WeakPolarHBondContact CB-SG 2.92Å; C55-C58 PolarHBondContact O-N 3.12Å; C55-C58 VanDerWaalsContact O-N 3.15Å; C55-C58 PolarHBondContact SG-SG 3.17Å; T56-C58 PolarHBondContact O-N 3.43Å; C58-Q61 PolarHBondContact O-N 3.27Å; C58-Y62 WeakPolarHBondContact O-CB 3.23Å; C58-Y62 PolarHBondContact O-N 3.09Å |
| 59 | L | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.7 | -39 | -178.4 | -163.4 | 63 | 0 | 0 | 0 | 111.1 | N45 L47 F54 C55 T56 Y62 V63 P78 L96 | N45-L59 HydrophobicContact CB-CD2 3.78Å; L47-L59 HydrophobicContact CD2-CD1 4.47Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; F54-L59 HydrophobicContact CB-CB 4.4Å; F54-L59 HydrophobicContact CD2-CD1 4.13Å; C55-L59 PolarHBondContact O-N 3.44Å; T56-L59 PolarHBondContact O-N 3.39Å; L59-Y62 HydrophobicContact CD1-CD1 4.45Å; L59-Y62 PolarHBondContact O-N 3.1Å; L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 3.35Å; L59-P78 HydrophobicContact CD1-CG 3.95Å; L59-L96 HydrophobicContact CB-CD2 4.22Å; L59-L96 HydrophobicContact CD2-CD1 3.63Å; L59-L96 HydrophobicContact CD2-CD2 3.98Å; L59-L96 HydrophobicContact CD2-CG 4.47Å; L59-L96 HydrophobicContact CG-CD1 3.68Å; L59-L96 HydrophobicContact CG-CD2 4.12Å |
| 60 | Q | 97.9 | Very high | 95 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.7 | -52 | 172.1 | -70.9 | -177.2 | -36.1 | 0 | 0 | 111.4 | T56 Y62 V63 Q64 L96 | T56-Q60 HydrophobicContact CG2-CG 4.18Å; T56-Q60 WeakPolarHBondContact O-CB 3.37Å; T56-Q60 VanDerWaalsContact O-CG 3.23Å; T56-Q60 WeakPolarHBondContact O-CG 3.41Å; T56-Q60 PolarHBondContact O-N 2.85Å; Q60-Y62 VanDerWaalsContact C-N 3.31Å; Q60-Y62 PolarHBondContact O-N 3.15Å; Q60-V63 PolarHBondContact O-N 3.29Å; Q60-Q64 WeakPolarHBondContact O-CB 3.35Å; Q60-Q64 WeakPolarHBondContact O-CG 3.38Å; Q60-Q64 PolarHBondContact O-N 3.48Å; Q60-L96 HydrophobicContact CG-CB 4.37Å; Q60-L96 HydrophobicContact CG-CD2 3.95Å; Q60-L96 VanDerWaalsContact CG-O 3.29Å; Q60-L96 WeakPolarHBondContact CG-O 3.26Å |
| 61 | Q | 97.6 | Very high | 94.8 | Very high | 132 Ų | 132 | 54.2 Ų | 54.2 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58 | -43.9 | 178.1 | -73.6 | 176 | -8.9 | 0 | 0 | 112.2 | A57 C58 Q64 L65 | A57-Q61 WeakPolarHBondContact O-CG 3.23Å; A57-Q61 PolarHBondContact O-N 3.02Å; A57-Q61 VanDerWaalsContact O-N 3.12Å; C58-Q61 PolarHBondContact O-N 3.27Å; Q61-Q64 PolarHBondContact O-N 3.22Å; Q61-L65 WeakPolarHBondContact O-CB 3.17Å; Q61-L65 PolarHBondContact O-N 3.1Å |
| 62 | Y | 97.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 176.9 | 172.4 | -99.1 | 0 | 0 | 0 | 112 | C58 L59 Q60 L65 A66 I75 T76 P78 | C58-Y62 WeakPolarHBondContact O-CB 3.23Å; C58-Y62 PolarHBondContact O-N 3.09Å; L59-Y62 HydrophobicContact CD1-CD1 4.45Å; L59-Y62 PolarHBondContact O-N 3.1Å; Q60-Y62 VanDerWaalsContact C-N 3.31Å; Q60-Y62 PolarHBondContact O-N 3.15Å; Y62-L65 PolarHBondContact O-N 2.96Å; Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.4Å; Y62-A66 PolarHBondContact O-N 3.25Å; Y62-I75 HydrophobicContact CD1-CG2 4.4Å; Y62-I75 HydrophobicContact CE1-CG2 3.6Å; Y62-T76 WeakPolarHBondContact CE1-O 3.34Å; Y62-T76 PolarHBondContact OH-O 2.88Å; Y62-P78 HydrophobicContact CD1-CG 3.71Å; Y62-P78 HydrophobicContact CD2-CB 4.38Å; Y62-P78 HydrophobicContact CD2-CG 4.29Å; Y62-P78 HydrophobicContact CE1-CG 3.74Å; Y62-P78 HydrophobicContact CE2-CB 4.3Å; Y62-P78 HydrophobicContact CE2-CG 4.32Å; Y62-P78 HydrophobicContact CG-CG 4Å |
| 63 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | -178.5 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | L59 Q60 L65 A66 V67 I75 L88 I93 L96 V97 | L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 3.35Å; Q60-V63 PolarHBondContact O-N 3.29Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 3.02Å; V63-A66 PolarHBondContact O-N 3.38Å; V63-V67 HydrophobicContact CG1-CG2 4.27Å; V63-V67 VanDerWaalsContact O-CG2 3.3Å; V63-V67 WeakPolarHBondContact O-CG2 3.31Å; V63-V67 PolarHBondContact O-N 2.97Å; V63-I75 HydrophobicContact CG1-CD1 3.93Å; V63-I75 HydrophobicContact CG2-CG2 4.47Å; V63-L88 HydrophobicContact CG2-CD2 3.77Å; V63-I93 HydrophobicContact CG1-CB 4.43Å; V63-I93 HydrophobicContact CG1-CG1 4.35Å; V63-I93 HydrophobicContact CG1-CG2 3.9Å; V63-L96 HydrophobicContact CB-CB 4.41Å; V63-L96 HydrophobicContact CG2-CB 4.4Å; V63-L96 HydrophobicContact CG2-CD1 3.8Å; V63-V97 HydrophobicContact CB-CG1 3.99Å; V63-V97 HydrophobicContact CG1-CG1 3.51Å |
| 64 | Q | 97.2 | Very high | 94.4 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 34% | 0.341 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 175.6 | -71.4 | 175.9 | -1.9 | 0 | 0 | 111.5 | Q60 Q61 V67 M68 V97 | Q60-Q64 WeakPolarHBondContact O-CB 3.35Å; Q60-Q64 WeakPolarHBondContact O-CG 3.38Å; Q60-Q64 PolarHBondContact O-N 3.48Å; Q61-Q64 PolarHBondContact O-N 3.22Å; Q64-V67 PolarHBondContact O-N 2.99Å; Q64-M68 VanDerWaalsContact O-CG 3.29Å; Q64-M68 WeakPolarHBondContact O-CG 3.44Å; Q64-M68 PolarHBondContact O-N 2.96Å; Q64-V97 HydrophobicContact CG-CB 4.48Å; Q64-V97 HydrophobicContact CG-CG1 3.76Å |
| 65 | L | 95.7 | Very high | 94.3 | Very high | 91 Ų | 91 | 49.3 Ų | 49.3 | 48% | 0.476 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.3 | -172.8 | 66.6 | 0 | 0 | 0 | 111.3 | Q61 Y62 V63 V67 M68 E69 | Q61-L65 WeakPolarHBondContact O-CB 3.17Å; Q61-L65 PolarHBondContact O-N 3.1Å; Y62-L65 PolarHBondContact O-N 2.96Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 3.02Å; L65-V67 VanDerWaalsContact C-N 3.3Å; L65-V67 PolarHBondContact O-N 3.38Å; L65-M68 PolarHBondContact O-N 2.93Å; L65-M68 VanDerWaalsContact O-N 3.16Å; L65-E69 HydrophobicContact CD1-CG 3.93Å; L65-E69 WeakPolarHBondContact CD1-OE1 3.29Å; L65-E69 HydrophobicContact CG-CG 4.46Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 PolarHBondContact O-N 2.89Å |
| 66 | A | 94.5 | Very high | 94.1 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -34 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y62 V63 G70 I75 | Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.4Å; Y62-A66 PolarHBondContact O-N 3.25Å; V63-A66 PolarHBondContact O-N 3.38Å; A66-G70 WeakPolarHBondContact O-CA 3.41Å; A66-G70 PolarHBondContact O-N 3.01Å; A66-I75 HydrophobicContact CB-CD1 3.92Å; A66-I75 HydrophobicContact CB-CG1 3.93Å; A66-I75 HydrophobicContact CB-CG2 3.91Å |
| 67 | V | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 172.5 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | V63 Q64 L65 I75 Q101 L104 Y105 | V63-V67 HydrophobicContact CG1-CG2 4.27Å; V63-V67 VanDerWaalsContact O-CG2 3.3Å; V63-V67 WeakPolarHBondContact O-CG2 3.31Å; V63-V67 PolarHBondContact O-N 2.97Å; Q64-V67 PolarHBondContact O-N 2.99Å; L65-V67 VanDerWaalsContact C-N 3.3Å; L65-V67 PolarHBondContact O-N 3.38Å; V67-I75 HydrophobicContact CG2-CD1 3.75Å; V67-Q101 HydrophobicContact CG1-CB 4.3Å; V67-Q101 WeakPolarHBondContact CG1-O 3.4Å; V67-L104 HydrophobicContact CG1-CD2 4.19Å; V67-L104 HydrophobicContact CG1-CG 4.36Å; V67-Y105 HydrophobicContact CG2-CD2 4.03Å; V67-Y105 HydrophobicContact CG2-CG 4.14Å |
| 68 | M | 92.5 | Very high | 93.8 | Very high | 133 Ų | 133 | 48.8 Ų | 48.8 | 66% | 0.655 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -69.6 | -40.8 | -176.1 | -70.3 | 177.8 | 68.2 | 0 | 0 | 112.8 | Q64 L65 | Q64-M68 VanDerWaalsContact O-CG 3.29Å; Q64-M68 WeakPolarHBondContact O-CG 3.44Å; Q64-M68 PolarHBondContact O-N 2.96Å; L65-M68 PolarHBondContact O-N 2.93Å; L65-M68 VanDerWaalsContact O-N 3.16Å |
| 69 | E | 89.5 | Confident | 93.5 | Very high | 150 Ų | 150 | 49.3 Ų | 49.3 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -103 | -21.1 | -173.2 | -61.2 | -173.9 | 163.9 | 0 | 0 | 113.4 | L65 G71 | L65-E69 HydrophobicContact CD1-CG 3.93Å; L65-E69 WeakPolarHBondContact CD1-OE1 3.29Å; L65-E69 HydrophobicContact CG-CG 4.46Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 PolarHBondContact O-N 2.89Å; E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.35Å |
| 70 | G | 86.1 | Confident | 93 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -76.5 | -11.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A66 G72 A73 R112 | A66-G70 WeakPolarHBondContact O-CA 3.41Å; A66-G70 PolarHBondContact O-N 3.01Å; G70-G72 VanDerWaalsContact C-N 3.28Å; G70-G72 PolarHBondContact O-N 3.43Å; G70-A73 VanDerWaalsContact O-CB 3.26Å; G70-A73 WeakPolarHBondContact O-CB 3.36Å; G70-A73 PolarHBondContact O-N 3.4Å; G70-R112 PolarHBondContact O-NH1 3.05Å |
| 71 | G | 87.3 | Confident | 92.5 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E69 A73 R112 | E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.35Å; G71-A73 VanDerWaalsContact C-N 3.3Å; G71-A73 PolarHBondContact O-N 3.04Å; G71-R112 PolarHBondContact O-NH1 3.35Å |
| 72 | G | 90.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 13.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G70 R112 | G70-G72 VanDerWaalsContact C-N 3.28Å; G70-G72 PolarHBondContact O-N 3.43Å; G72-R112 VanDerWaalsContact O-CD 3.23Å; G72-R112 WeakPolarHBondContact O-CD 3.14Å |
| 73 | A | 89.6 | Confident | 91.3 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 151.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G70 G71 I75 Y105 R112 | G70-A73 VanDerWaalsContact O-CB 3.26Å; G70-A73 WeakPolarHBondContact O-CB 3.36Å; G70-A73 PolarHBondContact O-N 3.4Å; G71-A73 VanDerWaalsContact C-N 3.3Å; G71-A73 PolarHBondContact O-N 3.04Å; A73-I75 PolarHBondContact O-N 3.5Å; A73-Y105 WeakPolarHBondContact O-CE2 3.46Å; A73-Y105 PolarHBondContact O-OH 2.79Å; A73-Y105 VanDerWaalsContact O-OH 3.05Å; A73-R112 VanDerWaalsContact CA-CZ 3.45Å; A73-R112 VanDerWaalsContact N-NH1 3.18Å |
| 74 | P | 91 | Very high | 90.6 | Very high | 83 Ų | 83 | 60.4 Ų | 60.4 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 124.4 | 165.8 | -22.8 | 33.8 | 0 | 0 | 0 | 109.8 | A87 | P74-A87 HydrophobicContact CB-CB 3.98Š|
| 75 | I | 93.9 | Very high | 89.3 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 124.3 | 174.3 | -56.6 | 179.5 | 0 | 0 | 0 | 106.3 | Y62 V63 A66 V67 A73 A87 L88 I93 Y105 | Y62-I75 HydrophobicContact CD1-CG2 4.4Å; Y62-I75 HydrophobicContact CE1-CG2 3.6Å; V63-I75 HydrophobicContact CG1-CD1 3.93Å; V63-I75 HydrophobicContact CG2-CG2 4.47Å; A66-I75 HydrophobicContact CB-CD1 3.92Å; A66-I75 HydrophobicContact CB-CG1 3.93Å; A66-I75 HydrophobicContact CB-CG2 3.91Å; V67-I75 HydrophobicContact CG2-CD1 3.75Å; A73-I75 PolarHBondContact O-N 3.5Å; I75-A87 CarbonylContact O-C 3.6Å; I75-A87 VanDerWaalsContact O-CA 3.28Å; I75-A87 WeakPolarHBondContact O-CA 3.32Å; I75-L88 HydrophobicContact CG2-CD1 4.47Å; I75-L88 HydrophobicContact CG2-CD2 4.11Å; I75-L88 PolarHBondContact O-N 3.48Å; I75-I93 HydrophobicContact CB-CD1 4.37Å; I75-I93 HydrophobicContact CD1-CD1 3.98Å; I75-I93 HydrophobicContact CD1-CG1 4.29Å; I75-I93 HydrophobicContact CG1-CD1 4.38Å; I75-Y105 HydrophobicContact CD1-CD2 4.24Å; I75-Y105 HydrophobicContact CD1-CE2 3.93Å; I75-Y105 HydrophobicContact CG1-CE2 3.9Å |
| 76 | T | 93.2 | Very high | 88.2 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -106.6 | 166.4 | -175 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | Y62 G86 L88 | Y62-T76 WeakPolarHBondContact CE1-O 3.34Å; Y62-T76 PolarHBondContact OH-O 2.88Å; T76-G86 WeakPolarHBondContact CA-O 3.37Å; T76-L88 WeakPolarHBondContact O-CD1 3.48Å |
| 77 | C | 94.9 | Very high | 87.9 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | trans | -49.7 | 133.1 | 171.3 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | L47 C50 C52 D79 C82 G86 | L47-C77 HydrophobicContact CD1-CB 4.24Å; C50-C77 VanDerWaalsContact SG-SG 3.67Å; C52-C77 VanDerWaalsContact SG-SG 3.65Å; C77-D79 PolarHBondContact O-N 3.26Å; C77-D79 PolarHBondContact SG-N 2.85Å; C77-C82 HydrophobicContact CB-CB 4.2Å; C77-G86 PolarHBondContact N-O 2.93Å; C77-G86 VanDerWaalsContact N-O 3.08Å | ||
| 78 | P | 93.9 | Very high | 87.8 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -66.8 | -20 | 176.9 | -18.5 | 28.3 | 0 | 0 | 0 | 114.5 | L34 F54 L59 Y62 M80 | L34-P78 HydrophobicContact CD1-CB 4.07Å; L34-P78 HydrophobicContact CD1-CG 4.14Å; L34-P78 HydrophobicContact CD2-CB 3.87Å; L34-P78 HydrophobicContact CG-CB 4.35Å; F54-P78 HydrophobicContact CD2-CG 4.5Å; F54-P78 HydrophobicContact CE1-CB 4.17Å; F54-P78 HydrophobicContact CE1-CG 4.45Å; F54-P78 HydrophobicContact CE2-CG 4.08Å; F54-P78 HydrophobicContact CZ-CB 3.97Å; F54-P78 HydrophobicContact CZ-CG 4.02Å; L59-P78 HydrophobicContact CD1-CG 3.95Å; Y62-P78 HydrophobicContact CD1-CG 3.71Å; Y62-P78 HydrophobicContact CD2-CB 4.38Å; Y62-P78 HydrophobicContact CD2-CG 4.29Å; Y62-P78 HydrophobicContact CE1-CG 3.74Å; Y62-P78 HydrophobicContact CE2-CB 4.3Å; Y62-P78 HydrophobicContact CE2-CG 4.32Å; Y62-P78 HydrophobicContact CG-CG 4Å; P78-M80 PolarHBondContact O-N 3.24Å |
| 79 | D | 92.1 | Very high | 87.9 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | trans | -78.7 | 112.5 | 180 | -170.8 | -10.4 | 0 | 0 | 0 | 110.6 | K33 F54 C77 A81 C82 | K33-D79 IonicContact NZ-OD2 2.72Å; K33-D79 PolarHBondContact NZ-OD2 3.36Å; F54-D79 HydrophobicContact CZ-CB 3.9Å; C77-D79 PolarHBondContact O-N 3.26Å; C77-D79 PolarHBondContact SG-N 2.85Å; D79-A81 PolarHBondContact O-N 2.96Å; D79-A81 WeakPolarHBondContact OD1-CB 3.31Å; D79-A81 PolarHBondContact OD1-N 2.91Å; D79-C82 HydrophobicContact CB-CB 4.18Å; D79-C82 WeakPolarHBondContact O-CB 3.48Å; D79-C82 PolarHBondContact O-N 3.2Å | ||
| 80 | M | 85.8 | Confident | 88.1 | Confident | 194 Ų | 194 | 53.2 Ų | 53.2 | 96% | 0.956 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.2 | 177.2 | -65.8 | -175.3 | 66.6 | 0 | 0 | 113.5 | P78 C82 | P78-M80 PolarHBondContact O-N 3.24Å; M80-C82 VanDerWaalsContact C-N 3.33Å |
| 81 | A | 87.1 | Confident | 88.5 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 66% | 0.661 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 9.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D79 | D79-A81 PolarHBondContact O-N 2.96Å; D79-A81 WeakPolarHBondContact OD1-CB 3.31Å; D79-A81 PolarHBondContact OD1-N 2.91Å |
| 82 | C | 89.9 | Confident | 88.9 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | trans | -59.1 | 125.3 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 110 | C50 C52 C77 D79 M80 I84 T85 | C50-C82 WeakPolarHBondContact CB-SG 3.36Å; C52-C82 VanDerWaalsContact SG-SG 3.7Å; C77-C82 HydrophobicContact CB-CB 4.2Å; D79-C82 HydrophobicContact CB-CB 4.18Å; D79-C82 WeakPolarHBondContact O-CB 3.48Å; D79-C82 PolarHBondContact O-N 3.2Å; M80-C82 VanDerWaalsContact C-N 3.33Å; C82-I84 VanDerWaalsContact C-N 3.3Å; C82-I84 PolarHBondContact O-N 3.31Å; C82-T85 PolarHBondContact O-OG1 2.97Å; C82-T85 PolarHBondContact SG-N 3.32Å; C82-T85 VanDerWaalsContact SG-N 3.42Å | ||
| 83 | P | 79.6 | Confident | 89.2 | Confident | 118 Ų | 118 | 54.2 Ų | 54.2 | 77% | 0.766 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -73.3 | -23.8 | -177 | 27.3 | -33.9 | 0 | 0 | 0 | 113.2 | ||
| 84 | I | 82 | Confident | 89.5 | Confident | 108 Ų | 108 | 55.3 Ų | 55.3 | 55% | 0.554 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -98.1 | -24.6 | -176.5 | -64.1 | 166.6 | 0 | 0 | 0 | 110.8 | C50 C82 G86 | C50-I84 HydrophobicContact CB-CB 4.1Å; C82-I84 VanDerWaalsContact C-N 3.3Å; C82-I84 PolarHBondContact O-N 3.31Å; I84-G86 PolarHBondContact O-N 3.22Å |
| 85 | T | 70.1 | Confident | 89.7 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | trans | 39 | 45.3 | -177.9 | -38.4 | 0 | 0 | 0 | 0 | 112.2 | C82 | C82-T85 PolarHBondContact O-OG1 2.97Å; C82-T85 PolarHBondContact SG-N 3.32Å; C82-T85 VanDerWaalsContact SG-N 3.42Å | ||
| 86 | G | 73.1 | Confident | 89.9 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 149.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | T76 C77 I84 | T76-G86 WeakPolarHBondContact CA-O 3.37Å; C77-G86 PolarHBondContact N-O 2.93Å; C77-G86 VanDerWaalsContact N-O 3.08Å; I84-G86 PolarHBondContact O-N 3.22Å |
| 87 | A | 88.6 | Confident | 90.1 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 139.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P74 I75 | P74-A87 HydrophobicContact CB-CB 3.98Å; I75-A87 CarbonylContact O-C 3.6Å; I75-A87 VanDerWaalsContact O-CA 3.28Å; I75-A87 WeakPolarHBondContact O-CA 3.32Å |
| 88 | L | 93.8 | Very high | 90.2 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 143.1 | 170 | -84.2 | 64.3 | 0 | 0 | 0 | 109.1 | L47 V63 I75 T76 E92 I93 | L47-L88 HydrophobicContact CD1-CD1 4.16Å; L47-L88 HydrophobicContact CD2-CD1 4.48Å; L47-L88 HydrophobicContact CD2-CD2 4.22Å; L47-L88 HydrophobicContact CD2-CG 4.03Å; V63-L88 HydrophobicContact CG2-CD2 3.77Å; I75-L88 HydrophobicContact CG2-CD1 4.47Å; I75-L88 HydrophobicContact CG2-CD2 4.11Å; I75-L88 PolarHBondContact O-N 3.48Å; T76-L88 WeakPolarHBondContact O-CD1 3.48Å; L88-E92 WeakPolarHBondContact CA-OE2 3.32Å; L88-I93 HydrophobicContact CB-CD1 4.29Å; L88-I93 HydrophobicContact CB-CG1 4.03Å |
| 89 | L | 93.5 | Very high | 90.3 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 151.7 | 175.1 | -58.3 | 174.4 | 0 | 0 | 0 | 110.3 | E48 S91 E92 I93 | E48-L89 HydrophobicContact CB-CD1 4.02Å; L89-S91 PolarHBondContact O-N 2.87Å; L89-E92 HydrophobicContact CB-CB 4.4Å; L89-E92 HydrophobicContact CB-CG 4.05Å; L89-E92 PolarHBondContact N-OE2 3.46Å; L89-E92 PolarHBondContact O-N 2.77Å; L89-E92 VanDerWaalsContact O-N 3.1Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.08Å |
| 90 | D | 94.3 | Very high | 90.6 | Very high | 72 Ų | 72 | 64.1 Ų | 64.1 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -29 | 176.5 | -69.5 | -25.4 | 0 | 0 | 0 | 111.4 | A94 K109 | D90-A94 VanDerWaalsContact O-CB 3.29Å; D90-A94 WeakPolarHBondContact O-CB 3.19Å; D90-A94 PolarHBondContact O-N 2.85Å; D90-K109 IonicContact OD1-NZ 2.85Å; D90-K109 PolarHBondContact OD1-NZ 2.79Å; D90-K109 IonicContact OD2-NZ 3.98Å; D90-K109 PolarHBondContact OD2-NZ 3.39Å |
| 91 | S | 94.8 | Very high | 91.1 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 172.9 | 50.5 | 0 | 0 | 0 | 0 | 113 | L89 A94 S95 | L89-S91 PolarHBondContact O-N 2.87Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-S95 PolarHBondContact O-N 3.44Å; S91-S95 VanDerWaalsContact O-N 3.1Å |
| 92 | E | 95.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.6 | -67.2 | 175 | 124.6 | 0 | 0 | 110.5 | L47 E48 L88 L89 A94 S95 L96 | L47-E92 VanDerWaalsContact CA-OE1 3.23Å; L47-E92 WeakPolarHBondContact CA-OE1 3.22Å; E48-E92 PolarHBondContact N-OE1 2.72Å; L88-E92 WeakPolarHBondContact CA-OE2 3.32Å; L89-E92 HydrophobicContact CB-CB 4.4Å; L89-E92 HydrophobicContact CB-CG 4.05Å; L89-E92 PolarHBondContact N-OE2 3.46Å; L89-E92 PolarHBondContact O-N 2.77Å; L89-E92 VanDerWaalsContact O-N 3.1Å; E92-A94 VanDerWaalsContact C-N 3.34Å; E92-A94 PolarHBondContact O-N 2.93Å; E92-S95 PolarHBondContact O-N 3.47Å; E92-S95 PolarHBondContact O-OG 3.45Å; E92-L96 VanDerWaalsContact O-CD1 3.23Å; E92-L96 WeakPolarHBondContact O-CD1 3.41Å; E92-L96 WeakPolarHBondContact O-CG 3.46Å; E92-L96 PolarHBondContact O-N 3.16Å |
| 93 | I | 96.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 175.9 | -64.5 | 167.7 | 0 | 0 | 0 | 109.5 | V63 I75 L88 L89 S95 L96 V97 Y105 | V63-I93 HydrophobicContact CG1-CB 4.43Å; V63-I93 HydrophobicContact CG1-CG1 4.35Å; V63-I93 HydrophobicContact CG1-CG2 3.9Å; I75-I93 HydrophobicContact CB-CD1 4.37Å; I75-I93 HydrophobicContact CD1-CD1 3.98Å; I75-I93 HydrophobicContact CD1-CG1 4.29Å; I75-I93 HydrophobicContact CG1-CD1 4.38Å; L88-I93 HydrophobicContact CB-CD1 4.29Å; L88-I93 HydrophobicContact CB-CG1 4.03Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.08Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.93Å; I93-L96 PolarHBondContact O-N 3.36Å; I93-V97 HydrophobicContact CG2-CG2 4.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 2.82Å; I93-Y105 HydrophobicContact CD1-CD1 4.07Å; I93-Y105 HydrophobicContact CD1-CE1 3.46Å; I93-Y105 VanDerWaalsContact CD1-CE1 3.46Å; I93-Y105 HydrophobicContact CG2-CD1 4.23Å |
| 94 | A | 96.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -28.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D90 S91 E92 V102 | D90-A94 VanDerWaalsContact O-CB 3.29Å; D90-A94 WeakPolarHBondContact O-CB 3.19Å; D90-A94 PolarHBondContact O-N 2.85Å; S91-A94 PolarHBondContact O-N 3.19Å; E92-A94 VanDerWaalsContact C-N 3.34Å; E92-A94 PolarHBondContact O-N 2.93Å; A94-V102 HydrophobicContact CB-CG1 4.34Å; A94-V102 HydrophobicContact CB-CG2 4.08Å |
| 95 | S | 95.9 | Very high | 93.4 | Very high | 83 Ų | 83 | 50.3 Ų | 50.3 | 58% | 0.58 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -80.2 | -18.2 | 175.5 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | S91 E92 I93 | S91-S95 PolarHBondContact O-N 3.44Å; S91-S95 VanDerWaalsContact O-N 3.1Å; E92-S95 PolarHBondContact O-N 3.47Å; E92-S95 PolarHBondContact O-OG 3.45Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.93Å |
| 96 | L | 96.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -100.3 | -14.7 | -174.2 | -67.7 | 167.7 | 0 | 0 | 0 | 114 | L59 Q60 V63 E92 I93 | L59-L96 HydrophobicContact CB-CD2 4.22Å; L59-L96 HydrophobicContact CD2-CD1 3.63Å; L59-L96 HydrophobicContact CD2-CD2 3.98Å; L59-L96 HydrophobicContact CD2-CG 4.47Å; L59-L96 HydrophobicContact CG-CD1 3.68Å; L59-L96 HydrophobicContact CG-CD2 4.12Å; Q60-L96 HydrophobicContact CG-CB 4.37Å; Q60-L96 HydrophobicContact CG-CD2 3.95Å; Q60-L96 VanDerWaalsContact CG-O 3.29Å; Q60-L96 WeakPolarHBondContact CG-O 3.26Å; V63-L96 HydrophobicContact CB-CB 4.41Å; V63-L96 HydrophobicContact CG2-CB 4.4Å; V63-L96 HydrophobicContact CG2-CD1 3.8Å; E92-L96 VanDerWaalsContact O-CD1 3.23Å; E92-L96 WeakPolarHBondContact O-CD1 3.41Å; E92-L96 WeakPolarHBondContact O-CG 3.46Å; E92-L96 PolarHBondContact O-N 3.16Å; I93-L96 PolarHBondContact O-N 3.36Å |
| 97 | V | 97.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -131.4 | 164.4 | -178.6 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | V63 Q64 I93 Q101 V102 | V63-V97 HydrophobicContact CB-CG1 3.99Å; V63-V97 HydrophobicContact CG1-CG1 3.51Å; Q64-V97 HydrophobicContact CG-CB 4.48Å; Q64-V97 HydrophobicContact CG-CG1 3.76Å; I93-V97 HydrophobicContact CG2-CG2 4.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 2.82Å; V97-Q101 HydrophobicContact CB-CB 3.88Å; V97-Q101 HydrophobicContact CG2-CB 3.69Å; V97-V102 HydrophobicContact CG2-CG2 3.65Å |
| 98 | A | 97.4 | Very high | 95.9 | Very high | 36 Ų | 36 | 56 Ų | 56 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | trans | -68.2 | 154 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y100 Q101 V102 | A98-Y100 VanDerWaalsContact C-N 3.28Å; A98-Y100 HydrophobicContact CB-CD1 3.58Å; A98-Y100 HydrophobicContact CB-CE1 3.44Å; A98-Y100 VanDerWaalsContact CB-CE1 3.44Å; A98-Y100 PolarHBondContact O-N 3.35Å; A98-Y100 VanDerWaalsContact O-N 3.15Å; A98-Q101 WeakPolarHBondContact O-CA 3.3Å; A98-Q101 WeakPolarHBondContact O-CB 3.43Å; A98-Q101 PolarHBondContact O-N 2.87Å; A98-V102 PolarHBondContact O-N 3.3Å | ||
| 99 | P | 97.3 | Very high | 95.9 | Very high | 98 Ų | 98 | 59.5 Ų | 59.5 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -52.9 | -40.5 | -176.8 | -29 | 35.3 | 0 | 0 | 0 | 114.4 | Q101 V102 E103 | P99-Q101 PolarHBondContact O-N 2.88Å; P99-V102 WeakPolarHBondContact O-CB 3.31Å; P99-V102 PolarHBondContact O-N 2.87Å; P99-V102 VanDerWaalsContact O-N 3.09Å; P99-E103 PolarHBondContact O-N 3.32Å |
| 100 | Y | 96.6 | Very high | 96 | Very high | 152 Ų | 152 | 61.6 Ų | 61.6 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.3 | -30 | 178.1 | 80 | -90.5 | 0 | 0 | 0 | 113.1 | A98 L104 | A98-Y100 VanDerWaalsContact C-N 3.28Å; A98-Y100 HydrophobicContact CB-CD1 3.58Å; A98-Y100 HydrophobicContact CB-CE1 3.44Å; A98-Y100 VanDerWaalsContact CB-CE1 3.44Å; A98-Y100 PolarHBondContact O-N 3.35Å; A98-Y100 VanDerWaalsContact O-N 3.15Å; Y100-L104 WeakPolarHBondContact O-CB 3.46Å; Y100-L104 PolarHBondContact O-N 2.68Å |
| 101 | Q | 96.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.4 | -33.5 | 176.2 | -61.5 | -178 | -80.8 | 0 | 0 | 110.8 | V67 V97 A98 P99 L104 Y105 | V67-Q101 HydrophobicContact CG1-CB 4.3Å; V67-Q101 WeakPolarHBondContact CG1-O 3.4Å; V97-Q101 HydrophobicContact CB-CB 3.88Å; V97-Q101 HydrophobicContact CG2-CB 3.69Å; A98-Q101 WeakPolarHBondContact O-CA 3.3Å; A98-Q101 WeakPolarHBondContact O-CB 3.43Å; A98-Q101 PolarHBondContact O-N 2.87Å; P99-Q101 PolarHBondContact O-N 2.88Å; Q101-L104 PolarHBondContact O-N 3.36Å; Q101-Y105 VanDerWaalsContact O-CB 3.31Å; Q101-Y105 WeakPolarHBondContact O-CB 3.44Å; Q101-Y105 PolarHBondContact O-N 2.86Å |
| 102 | V | 97.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 13% | 0.127 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | A94 V97 A98 P99 L104 Y105 Q106 | A94-V102 HydrophobicContact CB-CG1 4.34Å; A94-V102 HydrophobicContact CB-CG2 4.08Å; V97-V102 HydrophobicContact CG2-CG2 3.65Å; A98-V102 PolarHBondContact O-N 3.3Å; P99-V102 WeakPolarHBondContact O-CB 3.31Å; P99-V102 PolarHBondContact O-N 2.87Å; P99-V102 VanDerWaalsContact O-N 3.09Å; V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 2.85Å; V102-Y105 PolarHBondContact O-N 2.84Å; V102-Q106 HydrophobicContact CG1-CG 4.41Å; V102-Q106 WeakPolarHBondContact O-CB 3.25Å; V102-Q106 VanDerWaalsContact O-CG 3.32Å; V102-Q106 WeakPolarHBondContact O-CG 3.15Å; V102-Q106 PolarHBondContact O-N 3.38Å |
| 103 | E | 97 | Very high | 95.3 | Very high | 135 Ų | 135 | 60.8 Ų | 60.8 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.5 | -44.8 | 176.7 | -70.2 | 175.3 | -169.8 | 0 | 0 | 111.6 | P99 Y105 Q106 R107 | P99-E103 PolarHBondContact O-N 3.32Å; E103-Y105 PolarHBondContact O-N 3.04Å; E103-Q106 PolarHBondContact O-N 2.87Å; E103-R107 WeakPolarHBondContact O-CB 3.14Å; E103-R107 PolarHBondContact O-N 3.37Å |
| 104 | L | 96.3 | Very high | 95 | Very high | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 174.3 | 176.5 | 61.9 | 0 | 0 | 0 | 111.4 | V67 Y100 Q101 V102 R107 L108 | V67-L104 HydrophobicContact CG1-CD2 4.19Å; V67-L104 HydrophobicContact CG1-CG 4.36Å; Y100-L104 WeakPolarHBondContact O-CB 3.46Å; Y100-L104 PolarHBondContact O-N 2.68Å; Q101-L104 PolarHBondContact O-N 3.36Å; V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 2.85Å; L104-R107 PolarHBondContact O-N 3.39Å; L104-L108 HydrophobicContact CD1-CD1 3.87Å; L104-L108 HydrophobicContact CD1-CG 4.03Å; L104-L108 HydrophobicContact CG-CD1 3.9Å; L104-L108 HydrophobicContact CG-CG 4.44Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.17Å |
| 105 | Y | 96.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 179.4 | -179.6 | -114.9 | 0 | 0 | 0 | 111.7 | V67 A73 I75 I93 Q101 V102 E103 R107 L108 K109 | V67-Y105 HydrophobicContact CG2-CD2 4.03Å; V67-Y105 HydrophobicContact CG2-CG 4.14Å; A73-Y105 WeakPolarHBondContact O-CE2 3.46Å; A73-Y105 PolarHBondContact O-OH 2.79Å; A73-Y105 VanDerWaalsContact O-OH 3.05Å; I75-Y105 HydrophobicContact CD1-CD2 4.24Å; I75-Y105 HydrophobicContact CD1-CE2 3.93Å; I75-Y105 HydrophobicContact CG1-CE2 3.9Å; I93-Y105 HydrophobicContact CD1-CD1 4.07Å; I93-Y105 HydrophobicContact CD1-CE1 3.46Å; I93-Y105 VanDerWaalsContact CD1-CE1 3.46Å; I93-Y105 HydrophobicContact CG2-CD1 4.23Å; Q101-Y105 VanDerWaalsContact O-CB 3.31Å; Q101-Y105 WeakPolarHBondContact O-CB 3.44Å; Q101-Y105 PolarHBondContact O-N 2.86Å; V102-Y105 PolarHBondContact O-N 2.84Å; E103-Y105 PolarHBondContact O-N 3.04Å; Y105-R107 PolarHBondContact O-N 2.74Å; Y105-L108 PolarHBondContact O-N 2.88Å; Y105-K109 HydrophobicContact CE1-CD 4.03Å; Y105-K109 WeakPolarHBondContact O-CB 3.17Å; Y105-K109 PolarHBondContact O-N 3.43Å |
| 106 | Q | 96.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.3 | -72.9 | 176.3 | -3.6 | 0 | 0 | 111.8 | V102 E103 K109 F110 | V102-Q106 HydrophobicContact CG1-CG 4.41Å; V102-Q106 WeakPolarHBondContact O-CB 3.25Å; V102-Q106 VanDerWaalsContact O-CG 3.32Å; V102-Q106 WeakPolarHBondContact O-CG 3.15Å; V102-Q106 PolarHBondContact O-N 3.38Å; E103-Q106 PolarHBondContact O-N 2.87Å; Q106-K109 PolarHBondContact O-N 3.49Å; Q106-F110 WeakPolarHBondContact O-CB 3.23Å; Q106-F110 PolarHBondContact O-N 2.92Å |
| 107 | R | 94.6 | Very high | 93.3 | Very high | 144 Ų | 144 | 64.7 Ų | 64.7 | 54% | 0.543 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -50.8 | 174.9 | -177.5 | -179.5 | 66.2 | -169.9 | 0.2 | 111.3 | E103 L104 Y105 K109 F110 E111 | E103-R107 WeakPolarHBondContact O-CB 3.14Å; E103-R107 PolarHBondContact O-N 3.37Å; L104-R107 PolarHBondContact O-N 3.39Å; Y105-R107 PolarHBondContact O-N 2.74Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.76Å; R107-F110 WeakPolarHBondContact O-CB 3.4Å; R107-F110 PolarHBondContact O-N 3.05Å; R107-E111 WeakPolarHBondContact CG-OE1 3.23Å; R107-E111 IonicContact NE-OE1 3.37Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 3.33Å |
| 108 | L | 93.9 | Very high | 92.5 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 18% | 0.178 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 179.4 | -68.2 | 172.7 | 0 | 0 | 0 | 112.1 | L104 Y105 F110 E111 R112 | L104-L108 HydrophobicContact CD1-CD1 3.87Å; L104-L108 HydrophobicContact CD1-CG 4.03Å; L104-L108 HydrophobicContact CG-CD1 3.9Å; L104-L108 HydrophobicContact CG-CG 4.44Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.17Å; Y105-L108 PolarHBondContact O-N 2.88Å; L108-F110 VanDerWaalsContact C-N 3.35Å; L108-E111 PolarHBondContact O-N 3.42Å; L108-R112 VanDerWaalsContact O-CB 3.22Å; L108-R112 WeakPolarHBondContact O-CB 3.44Å; L108-R112 PolarHBondContact O-N 3.06Å |
| 109 | K | 94.1 | Very high | 92 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.6 | -178.4 | -179.1 | 179.4 | -179.1 | 0 | 110.6 | D90 Y105 Q106 R107 G113 | D90-K109 IonicContact OD1-NZ 2.85Å; D90-K109 PolarHBondContact OD1-NZ 2.79Å; D90-K109 IonicContact OD2-NZ 3.98Å; D90-K109 PolarHBondContact OD2-NZ 3.39Å; Y105-K109 HydrophobicContact CE1-CD 4.03Å; Y105-K109 WeakPolarHBondContact O-CB 3.17Å; Y105-K109 PolarHBondContact O-N 3.43Å; Q106-K109 PolarHBondContact O-N 3.49Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.76Å; K109-G113 PolarHBondContact O-N 3.32Å |
| 110 | F | 93.8 | Very high | 91.7 | Very high | 118 Ų | 118 | 69.1 Ų | 69.1 | 52% | 0.518 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 174.5 | 179.2 | -100.6 | 0 | 0 | 0 | 111.9 | Q106 R107 L108 R112 G113 V114 W122 V131 | Q106-F110 WeakPolarHBondContact O-CB 3.23Å; Q106-F110 PolarHBondContact O-N 2.92Å; R107-F110 WeakPolarHBondContact O-CB 3.4Å; R107-F110 PolarHBondContact O-N 3.05Å; L108-F110 VanDerWaalsContact C-N 3.35Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.19Å; F110-G113 CarbonylContact O-C 3.48Å; F110-G113 WeakPolarHBondContact O-CA 3.37Å; F110-G113 PolarHBondContact O-N 3.08Å; F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CE1-CG2 3.87Å; F110-V114 HydrophobicContact CE2-CG2 4.33Å; F110-V114 HydrophobicContact CZ-CG2 3.92Å; F110-V114 WeakPolarHBondContact O-CG2 3.39Å; F110-V114 PolarHBondContact O-N 3Å; F110-W122 AromaticContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CZ2 4.19Å; F110-W122 AromaticContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CZ2 4Å; F110-W122 HydrophobicContact CE1-CZ3 4.38Å; F110-V131 HydrophobicContact CE1-CG2 3.8Å; F110-V131 HydrophobicContact CZ-CG2 3.71Å |
| 111 | E | 91 | Very high | 91.3 | Very high | 75 Ų | 75 | 62.2 Ų | 62.2 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 178.5 | -73.6 | 172.7 | -169.1 | 0 | 0 | 112.4 | R107 L108 V114 K115 W122 | R107-E111 WeakPolarHBondContact CG-OE1 3.23Å; R107-E111 IonicContact NE-OE1 3.37Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 3.33Å; L108-E111 PolarHBondContact O-N 3.42Å; E111-V114 PolarHBondContact O-N 3.42Å; E111-K115 WeakPolarHBondContact O-CB 3.35Å; E111-K115 PolarHBondContact O-N 2.98Å; E111-W122 HydrophobicContact CB-CZ2 4.37Å; E111-W122 HydrophobicContact CG-CH2 4.4Å; E111-W122 HydrophobicContact CG-CZ2 3.88Å |
| 112 | R | 89.6 | Confident | 91.1 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 172.6 | -172.7 | -170.4 | -164 | 108.6 | -12.2 | 111.2 | G70 G71 G72 A73 L108 F110 V114 K115 L116 S213 | G70-R112 PolarHBondContact O-NH1 3.05Å; G71-R112 PolarHBondContact O-NH1 3.35Å; G72-R112 VanDerWaalsContact O-CD 3.23Å; G72-R112 WeakPolarHBondContact O-CD 3.14Å; A73-R112 VanDerWaalsContact CA-CZ 3.45Å; A73-R112 VanDerWaalsContact N-NH1 3.18Å; L108-R112 VanDerWaalsContact O-CB 3.22Å; L108-R112 WeakPolarHBondContact O-CB 3.44Å; L108-R112 PolarHBondContact O-N 3.06Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.19Å; R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.02Å; R112-K115 PolarHBondContact O-N 3.26Å; R112-K115 VanDerWaalsContact O-N 3.1Å; R112-L116 HydrophobicContact CG-CD1 3.8Å; R112-L116 HydrophobicContact CG-CG 4.13Å; R112-L116 WeakPolarHBondContact O-CB 3.05Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.26Å; R112-L116 PolarHBondContact O-N 3.35Å; R112-S213 PolarHBondContact NH1-OG 3.03Å; R112-S213 VanDerWaalsContact NH2-CA 3.31Å; R112-S213 PolarHBondContact NH2-O 3.27Å; R112-S213 PolarHBondContact NH2-OG 3.45Å; R112-S213 VanDerWaalsContact NH2-OG 3.16Å |
| 113 | G | 89.9 | Confident | 90.9 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.6 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K109 F110 L116 D117 | K109-G113 PolarHBondContact O-N 3.32Å; F110-G113 CarbonylContact O-C 3.48Å; F110-G113 WeakPolarHBondContact O-CA 3.37Å; F110-G113 PolarHBondContact O-N 3.08Å; G113-L116 PolarHBondContact O-N 3.48Å; G113-D117 VanDerWaalsContact O-CB 3.24Å; G113-D117 WeakPolarHBondContact O-CB 3.45Å; G113-D117 PolarHBondContact O-N 3.2Å; G113-D117 VanDerWaalsContact O-N 3.11Å |
| 114 | V | 89.9 | Confident | 90.6 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | F110 E111 R112 L116 K120 W122 V131 | F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CE1-CG2 3.87Å; F110-V114 HydrophobicContact CE2-CG2 4.33Å; F110-V114 HydrophobicContact CZ-CG2 3.92Å; F110-V114 WeakPolarHBondContact O-CG2 3.39Å; F110-V114 PolarHBondContact O-N 3Å; E111-V114 PolarHBondContact O-N 3.42Å; R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.02Å; V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 PolarHBondContact O-N 2.84Å; V114-K120 HydrophobicContact CG1-CB 4.06Å; V114-W122 HydrophobicContact CB-CZ2 4.13Å; V114-W122 HydrophobicContact CG1-CD2 4.21Å; V114-W122 HydrophobicContact CG1-CG 4.2Å; V114-W122 HydrophobicContact CG1-CZ2 4.3Å; V114-W122 VanDerWaalsContact CG1-NE1 3.33Å; V114-W122 HydrophobicContact CG2-CZ2 3.98Å; V114-V131 HydrophobicContact CG1-CG1 3.91Å; V114-V131 HydrophobicContact CG1-CG2 4.21Å; V114-V131 HydrophobicContact CG2-CG1 3.98Å; V114-V131 HydrophobicContact CG2-CG2 3.69Å |
| 115 | K | 84.1 | Confident | 90.4 | Very high | 103 Ų | 103 | 61.3 Ų | 61.3 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | -179.3 | -163.6 | -176.2 | -157.7 | -166.4 | 0 | 113.3 | E111 R112 C196 | E111-K115 WeakPolarHBondContact O-CB 3.35Å; E111-K115 PolarHBondContact O-N 2.98Å; R112-K115 PolarHBondContact O-N 3.26Å; R112-K115 VanDerWaalsContact O-N 3.1Å; K115-C196 WeakPolarHBondContact CD-O 3.28Å; K115-C196 WeakPolarHBondContact CE-O 3.42Å; K115-C196 PolarHBondContact NZ-O 3.34Å |
| 116 | L | 83.9 | Confident | 90 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -87.6 | -18.5 | -177.3 | -64.3 | -176 | 0 | 0 | 0 | 113.3 | R112 G113 V114 P118 C196 C214 | R112-L116 HydrophobicContact CG-CD1 3.8Å; R112-L116 HydrophobicContact CG-CG 4.13Å; R112-L116 WeakPolarHBondContact O-CB 3.05Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.26Å; R112-L116 PolarHBondContact O-N 3.35Å; G113-L116 PolarHBondContact O-N 3.48Å; V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 PolarHBondContact O-N 2.84Å; L116-P118 VanDerWaalsContact O-CD 3.3Å; L116-P118 WeakPolarHBondContact O-CD 3.45Å; L116-C196 HydrophobicContact CD2-CB 3.51Å; L116-C214 HydrophobicContact CD1-CB 4.46Å; L116-C214 HydrophobicContact CD2-CB 3.36Å |
| 117 | D | 85.3 | Confident | 89.7 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | trans | -87.6 | 109.9 | 179.9 | -172.4 | -18.6 | 0 | 0 | 0 | 110.4 | G113 S119 K120 | G113-D117 VanDerWaalsContact O-CB 3.24Å; G113-D117 WeakPolarHBondContact O-CB 3.45Å; G113-D117 PolarHBondContact O-N 3.2Å; G113-D117 VanDerWaalsContact O-N 3.11Å; D117-S119 VanDerWaalsContact CG-OG 3.31Å; D117-S119 PolarHBondContact O-N 2.84Å; D117-S119 VanDerWaalsContact O-N 3.08Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 3.05Å; D117-S119 PolarHBondContact OD1-OG 2.98Å; D117-S119 PolarHBondContact OD2-OG 3.4Å; D117-K120 HydrophobicContact CB-CB 4.2Å; D117-K120 HydrophobicContact CB-CD 4.06Å; D117-K120 HydrophobicContact CB-CG 4.14Å; D117-K120 PolarHBondContact O-N 2.9Å; D117-K120 WeakPolarHBondContact OD2-CD 3.31Å; D117-K120 VanDerWaalsContact OD2-CE 3.23Å; D117-K120 WeakPolarHBondContact OD2-CE 3.31Å; D117-K120 IonicContact OD2-NZ 2.68Å; D117-K120 PolarHBondContact OD2-NZ 3.34Å | ||
| 118 | P | 81.9 | Confident | 89.7 | Confident | 100 Ų | 100 | 66.3 Ų | 66.3 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.7 | -179.4 | -19.7 | 33.6 | 0 | 0 | 0 | 113.5 | L116 K120 | L116-P118 VanDerWaalsContact O-CD 3.3Å; L116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-K120 VanDerWaalsContact C-N 3.3Å |
| 119 | S | 86.8 | Confident | 89.5 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5.9 | 177.4 | 75.7 | 0 | 0 | 0 | 0 | 113.3 | D117 S133 V134 | D117-S119 VanDerWaalsContact CG-OG 3.31Å; D117-S119 PolarHBondContact O-N 2.84Å; D117-S119 VanDerWaalsContact O-N 3.08Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 3.05Å; D117-S119 PolarHBondContact OD1-OG 2.98Å; D117-S119 PolarHBondContact OD2-OG 3.4Å; S119-S133 CarbonylContact O-C 3.43Å; S119-S133 WeakPolarHBondContact O-CA 3.42Å; S119-V134 WeakPolarHBondContact CA-O 3.22Å; S119-V134 PolarHBondContact O-N 2.9Å |
| 120 | K | 89.4 | Confident | 89.4 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.8 | -179.3 | -64.2 | -177.8 | 179.2 | 128.3 | 0 | 111.9 | V114 D117 P118 V131 C132 | V114-K120 HydrophobicContact CG1-CB 4.06Å; D117-K120 HydrophobicContact CB-CB 4.2Å; D117-K120 HydrophobicContact CB-CD 4.06Å; D117-K120 HydrophobicContact CB-CG 4.14Å; D117-K120 PolarHBondContact O-N 2.9Å; D117-K120 WeakPolarHBondContact OD2-CD 3.31Å; D117-K120 VanDerWaalsContact OD2-CE 3.23Å; D117-K120 WeakPolarHBondContact OD2-CE 3.31Å; D117-K120 IonicContact OD2-NZ 2.68Å; D117-K120 PolarHBondContact OD2-NZ 3.34Å; P118-K120 VanDerWaalsContact C-N 3.3Å; K120-V131 HydrophobicContact CB-CG1 3.99Å; K120-V131 HydrophobicContact CD-CG1 4.13Å; K120-V131 HydrophobicContact CG-CG1 4.22Å; K120-C132 WeakPolarHBondContact CA-O 3.46Å |
| 121 | A | 89.1 | Confident | 89.5 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C132 V134 F154 | A121-C132 PolarHBondContact N-O 3.49Å; A121-C132 PolarHBondContact O-N 2.92Å; A121-V134 HydrophobicContact CB-CG2 3.52Å; A121-F154 HydrophobicContact CB-CE2 4.17Å; A121-F154 HydrophobicContact CB-CZ 4.35Å |
| 122 | W | 91.6 | Very high | 89.6 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 140 | 169.6 | -68.4 | 101.3 | 0 | 0 | 0 | 110.7 | F110 E111 V114 Q129 V131 | F110-W122 AromaticContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CZ2 4.19Å; F110-W122 AromaticContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CZ2 4Å; F110-W122 HydrophobicContact CE1-CZ3 4.38Å; E111-W122 HydrophobicContact CB-CZ2 4.37Å; E111-W122 HydrophobicContact CG-CH2 4.4Å; E111-W122 HydrophobicContact CG-CZ2 3.88Å; V114-W122 HydrophobicContact CB-CZ2 4.13Å; V114-W122 HydrophobicContact CG1-CD2 4.21Å; V114-W122 HydrophobicContact CG1-CG 4.2Å; V114-W122 HydrophobicContact CG1-CZ2 4.3Å; V114-W122 VanDerWaalsContact CG1-NE1 3.33Å; V114-W122 HydrophobicContact CG2-CZ2 3.98Å; W122-Q129 WeakPolarHBondContact CZ3-O 3.39Å; W122-V131 HydrophobicContact CD2-CG2 4.2Å; W122-V131 HydrophobicContact CE3-CG2 3.8Å; W122-V131 HydrophobicContact CH2-CG2 3.89Å; W122-V131 HydrophobicContact CZ2-CG2 4.22Å; W122-V131 HydrophobicContact CZ3-CG2 3.66Å |
| 123 | C | 93 | Very high | 89.7 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | trans | -57.8 | 131.9 | 168.3 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | V125 C128 A130 C147 C150 | C123-V125 PolarHBondContact O-N 2.99Å; C123-C128 HydrophobicContact CB-CB 4.16Å; C123-A130 HydrophobicContact CB-CB 4.42Å; C123-A130 WeakPolarHBondContact CB-O 3.48Å; C123-A130 PolarHBondContact N-O 3.43Å; C123-C147 VanDerWaalsContact SG-SG 3.66Å; C123-C150 PolarHBondContact SG-SG 2.89Å | ||
| 124 | P | 91.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -72.2 | -11.9 | 179.3 | 29.1 | -35.6 | 0 | 0 | 0 | 113.5 | L126 F154 R159 | P124-L126 PolarHBondContact O-N 3.23Å; P124-F154 HydrophobicContact CG-CB 3.8Å; P124-F154 HydrophobicContact CG-CD1 4.03Å; P124-F154 HydrophobicContact CG-CD2 4.24Å; P124-F154 HydrophobicContact CG-CG 3.77Å; P124-R159 WeakPolarHBondContact CB-O 3.44Å |
| 125 | V | 92.5 | Very high | 89 | Confident | 55 Ų | 55 | 71 Ų | 71 | 33% | 0.333 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -76.6 | 114.6 | 175 | -179 | 0 | 0 | 0 | 0 | 109 | C123 E127 C128 T152 | C123-V125 PolarHBondContact O-N 2.99Å; V125-E127 VanDerWaalsContact C-N 3.31Å; V125-E127 PolarHBondContact O-N 3.25Å; V125-C128 HydrophobicContact CB-CB 3.9Å; V125-C128 HydrophobicContact CG1-CB 4.13Å; V125-C128 WeakPolarHBondContact O-CB 3.44Å; V125-C128 PolarHBondContact O-N 2.87Å; V125-T152 HydrophobicContact CG2-CG2 4.05Å |
| 126 | L | 87.2 | Confident | 87.9 | Confident | 149 Ų | 149 | 70.4 Ų | 70.4 | 78% | 0.78 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -42.2 | -172.8 | -66.2 | 174.5 | 0 | 0 | 0 | 113.6 | P124 C128 Q129 | P124-L126 PolarHBondContact O-N 3.23Å; L126-C128 VanDerWaalsContact C-N 3.28Å; L126-C128 PolarHBondContact O-N 2.96Å; L126-Q129 WeakPolarHBondContact O-CG 3.14Å |
| 127 | E | 91.6 | Very high | 86.8 | Confident | 177 Ų | 177 | 69.7 Ų | 69.7 | 83% | 0.827 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12.7 | -179.2 | -59 | -54.5 | 131.1 | 0 | 0 | 113.8 | V125 | V125-E127 VanDerWaalsContact C-N 3.31Å; V125-E127 PolarHBondContact O-N 3.25Å |
| 128 | C | 93.9 | Very high | 85.3 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 20% | 0.203 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -47.4 | -174.3 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | C123 V125 L126 A130 C150 | C123-C128 HydrophobicContact CB-CB 4.16Å; V125-C128 HydrophobicContact CB-CB 3.9Å; V125-C128 HydrophobicContact CG1-CB 4.13Å; V125-C128 WeakPolarHBondContact O-CB 3.44Å; V125-C128 PolarHBondContact O-N 2.87Å; L126-C128 VanDerWaalsContact C-N 3.28Å; L126-C128 PolarHBondContact O-N 2.96Å; C128-A130 PolarHBondContact O-N 3.4Å; C128-A130 VanDerWaalsContact SG-CB 3.55Å; C128-C150 HydrophobicContact CB-CB 4.3Å; C128-C150 VanDerWaalsContact SG-SG 3.62Å |
| 129 | Q | 89.2 | Confident | 84.2 | Confident | 143 Ų | 143 | 75.6 Ų | 75.6 | 67% | 0.668 | 42% | 0.42 | S | S | * | . | trans | 50 | 20 | -177.3 | -53.6 | -175.3 | 18.9 | 0 | 0 | 114.8 | W122 L126 | W122-Q129 WeakPolarHBondContact CZ3-O 3.39Å; L126-Q129 WeakPolarHBondContact O-CG 3.14Å | ||
| 130 | A | 93.1 | Very high | 83 | Confident | 17 Ų | 17 | 76.8 Ų | 76.8 | 14% | 0.14 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 142.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C123 C128 A149 | C123-A130 HydrophobicContact CB-CB 4.42Å; C123-A130 WeakPolarHBondContact CB-O 3.48Å; C123-A130 PolarHBondContact N-O 3.43Å; C128-A130 PolarHBondContact O-N 3.4Å; C128-A130 VanDerWaalsContact SG-CB 3.55Å; A130-A149 HydrophobicContact CB-CB 3.77Å |
| 131 | V | 94.6 | Very high | 82.2 | Confident | 43 Ų | 43 | 80 Ų | 80 | 26% | 0.261 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123 | 169.5 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | F110 V114 K120 W122 | F110-V131 HydrophobicContact CE1-CG2 3.8Å; F110-V131 HydrophobicContact CZ-CG2 3.71Å; V114-V131 HydrophobicContact CG1-CG1 3.91Å; V114-V131 HydrophobicContact CG1-CG2 4.21Å; V114-V131 HydrophobicContact CG2-CG1 3.98Å; V114-V131 HydrophobicContact CG2-CG2 3.69Å; K120-V131 HydrophobicContact CB-CG1 3.99Å; K120-V131 HydrophobicContact CD-CG1 4.13Å; K120-V131 HydrophobicContact CG-CG1 4.22Å; W122-V131 HydrophobicContact CD2-CG2 4.2Å; W122-V131 HydrophobicContact CE3-CG2 3.8Å; W122-V131 HydrophobicContact CH2-CG2 3.89Å; W122-V131 HydrophobicContact CZ2-CG2 4.22Å; W122-V131 HydrophobicContact CZ3-CG2 3.66Å |
| 132 | C | 93.3 | Very high | 81.8 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.014 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.7 | -178.2 | -51.7 | 0 | 0 | 0 | 0 | 109.8 | K120 A121 V145 F154 | K120-C132 WeakPolarHBondContact CA-O 3.46Å; A121-C132 PolarHBondContact N-O 3.49Å; A121-C132 PolarHBondContact O-N 2.92Å; C132-V145 HydrophobicContact CB-CG1 3.61Å; C132-F154 HydrophobicContact CB-CE1 4.31Å; C132-F154 HydrophobicContact CB-CZ 4.01Å |
| 133 | S | 91.6 | Very high | 81.6 | Confident | 96 Ų | 96 | 80.1 Ų | 80.1 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.5 | 171.6 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | S119 | S119-S133 CarbonylContact O-C 3.43Å; S119-S133 WeakPolarHBondContact O-CA 3.42Å |
| 134 | V | 87.3 | Confident | 81.5 | Confident | 15 Ų | 15 | 82.2 Ų | 82.2 | 9% | 0.091 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 123.4 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | S119 A121 V145 | S119-V134 WeakPolarHBondContact CA-O 3.22Å; S119-V134 PolarHBondContact O-N 2.9Å; A121-V134 HydrophobicContact CB-CG2 3.52Å; V134-V145 HydrophobicContact CG1-CG2 4.42Å; V134-V145 HydrophobicContact CG2-CG2 4.13Å |
| 135 | Q | 77.5 | Confident | 81.5 | Confident | 169 Ų | 169 | 79.8 Ų | 79.8 | 79% | 0.79 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 125.7 | 169.3 | -67.1 | -173 | -8.3 | 0 | 0 | 108.7 | S137 | Q135-S137 PolarHBondContact O-N 3.16Å; Q135-S137 VanDerWaalsContact O-N 3.07Å |
| 136 | A | 62.5 | Low | 81.6 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 74% | 0.736 | 48% | 0.475 | S | S | * | . | trans | -64.5 | 110.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | T138 | A136-T138 PolarHBondContact O-N 2.89Š| ||
| 137 | S | 59.2 | Low | 82 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | trans | -63.5 | 127.4 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | Q135 E139 G140 R141 | Q135-S137 PolarHBondContact O-N 3.16Å; Q135-S137 VanDerWaalsContact O-N 3.07Å; S137-E139 PolarHBondContact O-N 2.66Å; S137-G140 PolarHBondContact O-N 2.89Å; S137-G140 VanDerWaalsContact O-N 3.13Å; S137-R141 WeakPolarHBondContact CB-O 3.33Å; S137-R141 PolarHBondContact OG-N 2.98Å; S137-R141 PolarHBondContact OG-O 3.35Å | ||
| 138 | T | 55.1 | Low | 82.1 | Confident | 144 Ų | 144 | 69.6 Ų | 69.6 | 88% | 0.883 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -14.3 | -179.7 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | A136 | A136-T138 PolarHBondContact O-N 2.89Š|
| 139 | E | 57.6 | Low | 82.2 | Confident | 124 Ų | 124 | 71.2 Ų | 71.2 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | 11.6 | -177.1 | -60.2 | -173.7 | 177.1 | 0 | 0 | 113.4 | S137 R141 | S137-E139 PolarHBondContact O-N 2.66Å; E139-R141 HydrophobicContact CB-CG 4.12Å; E139-R141 PolarHBondContact O-N 3.38Å; E139-R141 IonicContact OE2-CZ 2.75Å; E139-R141 IonicContact OE2-NE 2.79Å; E139-R141 PolarHBondContact OE2-NE 3.39Å; E139-R141 IonicContact OE2-NH2 3.9Å; E139-R141 PolarHBondContact OE2-NH2 3.34Å |
| 140 | G | 61.7 | Low | 82.5 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 76% | 0.763 | 43% | 0.427 | S | S | * | . | trans | 67.1 | 14.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S137 | S137-G140 PolarHBondContact O-N 2.89Å; S137-G140 VanDerWaalsContact O-N 3.13Å | ||
| 141 | R | 73.1 | Confident | 82.6 | Confident | 161 Ų | 161 | 72.9 Ų | 72.9 | 61% | 0.608 | 45% | 0.453 | S | S | * | . | trans | -75.5 | 142.3 | 177.3 | -60.6 | -174.1 | -164 | -159.9 | 4.7 | 110.8 | S137 E139 | S137-R141 WeakPolarHBondContact CB-O 3.33Å; S137-R141 PolarHBondContact OG-N 2.98Å; S137-R141 PolarHBondContact OG-O 3.35Å; E139-R141 HydrophobicContact CB-CG 4.12Å; E139-R141 PolarHBondContact O-N 3.38Å; E139-R141 IonicContact OE2-CZ 2.75Å; E139-R141 IonicContact OE2-NE 2.79Å; E139-R141 PolarHBondContact OE2-NE 3.39Å; E139-R141 IonicContact OE2-NH2 3.9Å; E139-R141 PolarHBondContact OE2-NH2 3.34Å | ||
| 142 | P | 80.9 | Confident | 82.5 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 32% | 0.318 | 46% | 0.456 | S | S | . | . | trans | -59.7 | 143.5 | 172.6 | 24.5 | -31.8 | 0 | 0 | 0 | 110.7 | C155 W162 | P142-C155 VanDerWaalsContact CB-SG 3.54Å; P142-W162 HydrophobicContact CB-CZ3 4.27Å; P142-W162 WeakPolarHBondContact O-CH2 3.45Å | ||
| 143 | A | 86.8 | Confident | 82.6 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 25% | 0.248 | 47% | 0.474 | C | S | . | . | trans | -131.3 | 153 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S156 | A143-S156 PolarHBondContact N-OG 2.93Å; A143-S156 WeakPolarHBondContact O-CB 3.47Å; A143-S156 PolarHBondContact O-N 3.47Å; A143-S156 PolarHBondContact O-OG 3.4Å | ||
| 144 | A | 90.4 | Very high | 82.6 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | V153 W162 | A144-V153 HydrophobicContact CB-CG1 3.94Å; A144-W162 HydrophobicContact CB-CB 4.49Å; A144-W162 HydrophobicContact CB-CD2 3.61Å; A144-W162 HydrophobicContact CB-CE3 4.21Å; A144-W162 HydrophobicContact CB-CG 3.71Å; A144-W162 HydrophobicContact CB-CZ2 4.22Å |
| 145 | V | 92.4 | Very high | 82.8 | Confident | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.036 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.9 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | C132 V134 V153 F154 | C132-V145 HydrophobicContact CB-CG1 3.61Å; V134-V145 HydrophobicContact CG1-CG2 4.42Å; V134-V145 HydrophobicContact CG2-CG2 4.13Å; V145-V153 CarbonylContact O-C 3.56Å; V145-V153 VanDerWaalsContact O-CA 3.31Å; V145-V153 WeakPolarHBondContact O-CA 3.34Å; V145-F154 HydrophobicContact CB-CD1 4.34Å; V145-F154 HydrophobicContact CB-CD2 4.35Å; V145-F154 HydrophobicContact CB-CE1 4Å; V145-F154 HydrophobicContact CB-CE2 4.02Å; V145-F154 HydrophobicContact CB-CZ 3.84Å; V145-F154 HydrophobicContact CG1-CE1 3.78Å; V145-F154 HydrophobicContact CG1-CE2 4.15Å; V145-F154 HydrophobicContact CG1-CZ 3.54Å; V145-F154 PolarHBondContact N-O 3Å; V145-F154 VanDerWaalsContact O-CD1 3.3Å; V145-F154 WeakPolarHBondContact O-CD1 3.34Å; V145-F154 PolarHBondContact O-N 3.44Å |
| 146 | A | 94.4 | Very high | 83.2 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 57% | 0.57 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V153 | A146-V153 HydrophobicContact CB-CG2 4.28Å |
| 147 | C | 94.9 | Very high | 84.2 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | trans | -72.3 | 127.3 | 175.5 | -178 | 0 | 0 | 0 | 0 | 110.9 | C123 A149 H151 T152 | C123-C147 VanDerWaalsContact SG-SG 3.66Å; C147-A149 PolarHBondContact O-N 3.19Å; C147-H151 WeakPolarHBondContact O-CA 3.47Å; C147-H151 PolarHBondContact O-N 3.49Å; C147-T152 WeakPolarHBondContact CB-O 3.34Å; C147-T152 PolarHBondContact N-O 2.73Å | ||
| 148 | P | 94.8 | Very high | 85.4 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.3 | -179.4 | 29.1 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 149 | A | 95.8 | Very high | 87 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -53.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A130 C147 | A130-A149 HydrophobicContact CB-CB 3.77Å; C147-A149 PolarHBondContact O-N 3.19Å |
| 150 | C | 95.6 | Very high | 88.4 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 31% | 0.311 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 0.3 | -177.6 | 70 | 0 | 0 | 0 | 0 | 114.3 | C123 C128 T152 | C123-C150 PolarHBondContact SG-SG 2.89Å; C128-C150 HydrophobicContact CB-CB 4.3Å; C128-C150 VanDerWaalsContact SG-SG 3.62Å; C150-T152 PolarHBondContact O-N 2.85Å; C150-T152 PolarHBondContact SG-OG1 3.3Å |
| 151 | H | 94.3 | Very high | 89.8 | Confident | 150 Ų | 150 | 58.7 Ų | 58.7 | 69% | 0.694 | 36% | 0.355 | S | S | * | . | trans | 59.9 | 7.8 | -179.8 | -53.4 | 88.3 | 0 | 0 | 0 | 115.6 | C147 V153 | C147-H151 WeakPolarHBondContact O-CA 3.47Å; C147-H151 PolarHBondContact O-N 3.49Å; H151-V153 PolarHBondContact O-N 3.3Å | ||
| 152 | T | 94.3 | Very high | 90.7 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | trans | -64.4 | 133.3 | 173.1 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | V125 C147 C150 | V125-T152 HydrophobicContact CG2-CG2 4.05Å; C147-T152 WeakPolarHBondContact CB-O 3.34Å; C147-T152 PolarHBondContact N-O 2.73Å; C150-T152 PolarHBondContact O-N 2.85Å; C150-T152 PolarHBondContact SG-OG1 3.3Å | ||
| 153 | V | 93.9 | Very high | 91 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.1 | 176.9 | -169 | 0 | 0 | 0 | 0 | 109.7 | A144 V145 A146 H151 W162 | A144-V153 HydrophobicContact CB-CG1 3.94Å; V145-V153 CarbonylContact O-C 3.56Å; V145-V153 VanDerWaalsContact O-CA 3.31Å; V145-V153 WeakPolarHBondContact O-CA 3.34Å; A146-V153 HydrophobicContact CB-CG2 4.28Å; H151-V153 PolarHBondContact O-N 3.3Å; V153-W162 HydrophobicContact CB-CB 4.45Å; V153-W162 HydrophobicContact CG1-CB 3.81Å; V153-W162 HydrophobicContact CG1-CG 4.3Å; V153-W162 PolarHBondContact O-N 2.82Å; V153-W162 VanDerWaalsContact O-N 3.16Å |
| 154 | F | 92.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 165.3 | -175.2 | 65.6 | -84.1 | 0 | 0 | 0 | 111.8 | A121 P124 C132 V145 G160 | A121-F154 HydrophobicContact CB-CE2 4.17Å; A121-F154 HydrophobicContact CB-CZ 4.35Å; P124-F154 HydrophobicContact CG-CB 3.8Å; P124-F154 HydrophobicContact CG-CD1 4.03Å; P124-F154 HydrophobicContact CG-CD2 4.24Å; P124-F154 HydrophobicContact CG-CG 3.77Å; C132-F154 HydrophobicContact CB-CE1 4.31Å; C132-F154 HydrophobicContact CB-CZ 4.01Å; V145-F154 HydrophobicContact CB-CD1 4.34Å; V145-F154 HydrophobicContact CB-CD2 4.35Å; V145-F154 HydrophobicContact CB-CE1 4Å; V145-F154 HydrophobicContact CB-CE2 4.02Å; V145-F154 HydrophobicContact CB-CZ 3.84Å; V145-F154 HydrophobicContact CG1-CE1 3.78Å; V145-F154 HydrophobicContact CG1-CE2 4.15Å; V145-F154 HydrophobicContact CG1-CZ 3.54Å; V145-F154 PolarHBondContact N-O 3Å; V145-F154 VanDerWaalsContact O-CD1 3.3Å; V145-F154 WeakPolarHBondContact O-CD1 3.34Å; V145-F154 PolarHBondContact O-N 3.44Å; F154-G160 CarbonylContact C-O 3.6Å; F154-G160 VanDerWaalsContact CA-O 3.27Å; F154-G160 WeakPolarHBondContact CA-O 3.44Å; F154-G160 WeakPolarHBondContact CB-O 3.23Å |
| 155 | C | 90.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.6 | 179.2 | 178 | 0 | 0 | 0 | 0 | 111.8 | P142 S157 C158 R159 G160 W162 H166 C168 | P142-C155 VanDerWaalsContact CB-SG 3.54Å; C155-S157 PolarHBondContact O-N 3.3Å; C155-S157 VanDerWaalsContact O-N 3.16Å; C155-S157 PolarHBondContact SG-N 2.9Å; C155-S157 VanDerWaalsContact SG-N 3.4Å; C155-C158 WeakPolarHBondContact CB-SG 2.85Å; C155-C158 VanDerWaalsContact SG-SG 3.66Å; C155-R159 VanDerWaalsContact O-CA 3.23Å; C155-R159 WeakPolarHBondContact O-CA 3.28Å; C155-R159 PolarHBondContact O-N 3.48Å; C155-G160 PolarHBondContact N-O 3.37Å; C155-W162 HydrophobicContact CB-CE3 3.89Å; C155-W162 HydrophobicContact CB-CZ3 4.24Å; C155-H166 WeakPolarHBondContact CB-NE2 3.34Å; C155-H166 PolarHBondContact SG-NE2 2.98Å; C155-C168 PolarHBondContact SG-SG 3.21Å |
| 156 | S | 86.9 | Confident | 90.1 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 22% | 0.217 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | 176.4 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | A143 | A143-S156 PolarHBondContact N-OG 2.93Å; A143-S156 WeakPolarHBondContact O-CB 3.47Å; A143-S156 PolarHBondContact O-N 3.47Å; A143-S156 PolarHBondContact O-OG 3.4Å |
| 157 | S | 83.2 | Confident | 89.6 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 58% | 0.58 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -62.5 | -175.7 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | C155 | C155-S157 PolarHBondContact O-N 3.3Å; C155-S157 VanDerWaalsContact O-N 3.16Å; C155-S157 PolarHBondContact SG-N 2.9Å; C155-S157 VanDerWaalsContact SG-N 3.4Å |
| 158 | C | 84.9 | Confident | 89.1 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 26% | 0.264 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -9.9 | -176.1 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | C155 G160 C168 | C155-C158 WeakPolarHBondContact CB-SG 2.85Å; C155-C158 VanDerWaalsContact SG-SG 3.66Å; C158-G160 PolarHBondContact O-N 3.1Å; C158-G160 VanDerWaalsContact O-N 3.08Å; C158-G160 PolarHBondContact SG-N 3.4Å; C158-G160 VanDerWaalsContact SG-N 3.41Å; C158-C168 HydrophobicContact CB-CB 4.32Å |
| 159 | R | 87.1 | Confident | 88.3 | Confident | 118 Ų | 118 | 72.4 Ų | 72.4 | 45% | 0.445 | 43% | 0.426 | S | S | . | . | trans | 61.4 | 7.9 | -175.6 | -51.3 | 179.3 | -179 | -164.3 | -2.3 | 115.2 | P124 C155 | P124-R159 WeakPolarHBondContact CB-O 3.44Å; C155-R159 VanDerWaalsContact O-CA 3.23Å; C155-R159 WeakPolarHBondContact O-CA 3.28Å; C155-R159 PolarHBondContact O-N 3.48Å | ||
| 160 | G | 87.6 | Confident | 86.5 | Confident | 21 Ų | 21 | 78 Ų | 78 | 22% | 0.216 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -79.3 | 170.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F154 C155 C158 | F154-G160 CarbonylContact C-O 3.6Å; F154-G160 VanDerWaalsContact CA-O 3.27Å; F154-G160 WeakPolarHBondContact CA-O 3.44Å; F154-G160 WeakPolarHBondContact CB-O 3.23Å; C155-G160 PolarHBondContact N-O 3.37Å; C158-G160 PolarHBondContact O-N 3.1Å; C158-G160 VanDerWaalsContact O-N 3.08Å; C158-G160 PolarHBondContact SG-N 3.4Å; C158-G160 VanDerWaalsContact SG-N 3.41Å |
| 161 | P | 90.6 | Very high | 84.5 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | B | Isolated β-bridge | trans | -57.1 | 136.4 | 177.1 | -22.8 | 33.4 | 0 | 0 | 0 | 112.3 | H166 | P161-H166 PolarHBondContact O-CE1 2.72Å; P161-H166 PolarHBondContact O-ND1 3.11Å |
| 162 | W | 91.8 | Very high | 81.7 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 31% | 0.311 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 127.9 | 175.3 | -170.4 | -90 | 0 | 0 | 0 | 110.7 | P142 A144 V153 C155 H166 | P142-W162 HydrophobicContact CB-CZ3 4.27Å; P142-W162 WeakPolarHBondContact O-CH2 3.45Å; A144-W162 HydrophobicContact CB-CB 4.49Å; A144-W162 HydrophobicContact CB-CD2 3.61Å; A144-W162 HydrophobicContact CB-CE3 4.21Å; A144-W162 HydrophobicContact CB-CG 3.71Å; A144-W162 HydrophobicContact CB-CZ2 4.22Å; V153-W162 HydrophobicContact CB-CB 4.45Å; V153-W162 HydrophobicContact CG1-CB 3.81Å; V153-W162 HydrophobicContact CG1-CG 4.3Å; V153-W162 PolarHBondContact O-N 2.82Å; V153-W162 VanDerWaalsContact O-N 3.16Å; C155-W162 HydrophobicContact CB-CE3 3.89Å; C155-W162 HydrophobicContact CB-CZ3 4.24Å; W162-H166 HydrophobicContact CD2-CB 4.21Å; W162-H166 HydrophobicContact CE3-CB 4.2Å; W162-H166 AromaticContact CE3-CD2 3.91Å; W162-H166 HydrophobicContact CH2-CB 4.47Å; W162-H166 HydrophobicContact CZ2-CB 4.46Å; W162-H166 HydrophobicContact CZ3-CB 4.34Å; W162-H166 AromaticContact CZ3-CD2 3.79Å |
| 163 | L | 88.3 | Confident | 79.2 | Confident | 120 Ų | 120 | 80.3 Ų | 80.3 | 63% | 0.628 | 47% | 0.47 | S | S | * | . | trans | -132 | 165.8 | -178.1 | -62.4 | 172.8 | 0 | 0 | 0 | 110.3 | G165 H166 | L163-G165 PolarHBondContact O-N 3.44Å; L163-H166 VanDerWaalsContact O-CB 3.28Å; L163-H166 WeakPolarHBondContact O-CB 3.1Å; L163-H166 PolarHBondContact O-N 3.07Å; L163-H166 VanDerWaalsContact O-N 3.13Å | ||
| 164 | E | 84.9 | Confident | 76.6 | Confident | 200 Ų | 200 | 84.3 Ų | 84.3 | 94% | 0.935 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 131.7 | 173.3 | -70.7 | -174.3 | 177.7 | 0 | 0 | 110.9 | H166 | E164-H166 VanDerWaalsContact C-N 3.27Å; E164-H166 PolarHBondContact O-N 3.42Å |
| 165 | G | 81.1 | Confident | 73.9 | Confident | 76 Ų | 76 | 90.7 Ų | 90.7 | 78% | 0.784 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 20.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L163 T167 | L163-G165 PolarHBondContact O-N 3.44Å; G165-T167 PolarHBondContact O-N 2.94Å; G165-T167 PolarHBondContact O-OG1 3.25Å |
| 166 | H | 83.8 | Confident | 71.2 | Confident | 40 Ų | 40 | 94.4 Ų | 94.4 | 19% | 0.185 | 54% | 0.537 | C | S | . | . | trans | -49.3 | 122.8 | -177.6 | -176.7 | 88.8 | 0 | 0 | 0 | 112.4 | C155 P161 W162 L163 E164 | C155-H166 WeakPolarHBondContact CB-NE2 3.34Å; C155-H166 PolarHBondContact SG-NE2 2.98Å; P161-H166 PolarHBondContact O-CE1 2.72Å; P161-H166 PolarHBondContact O-ND1 3.11Å; W162-H166 HydrophobicContact CD2-CB 4.21Å; W162-H166 HydrophobicContact CE3-CB 4.2Å; W162-H166 AromaticContact CE3-CD2 3.91Å; W162-H166 HydrophobicContact CH2-CB 4.47Å; W162-H166 HydrophobicContact CZ2-CB 4.46Å; W162-H166 HydrophobicContact CZ3-CB 4.34Å; W162-H166 AromaticContact CZ3-CD2 3.79Å; L163-H166 VanDerWaalsContact O-CB 3.28Å; L163-H166 WeakPolarHBondContact O-CB 3.1Å; L163-H166 PolarHBondContact O-N 3.07Å; L163-H166 VanDerWaalsContact O-N 3.13Å; E164-H166 VanDerWaalsContact C-N 3.27Å; E164-H166 PolarHBondContact O-N 3.42Å | ||
| 167 | T | 84.5 | Confident | 68.7 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | trans | -117.6 | 125.3 | 170.6 | -57.1 | 0 | 0 | 0 | 0 | 107.2 | G165 | G165-T167 PolarHBondContact O-N 2.94Å; G165-T167 PolarHBondContact O-OG1 3.25Å | ||
| 168 | C | 84.4 | Confident | 66.5 | Low | 26 Ų | 26 | 103 Ų | 103 | 18% | 0.176 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -62.1 | 131 | 176.3 | -73 | 0 | 0 | 0 | 0 | 108.9 | C155 C158 E170 | C155-C168 PolarHBondContact SG-SG 3.21Å; C158-C168 HydrophobicContact CB-CB 4.32Å; C168-E170 PolarHBondContact O-N 3.39Å |
| 169 | P | 77.6 | Confident | 64.4 | Low | 95 Ų | 95 | 106 Ų | 106 | 62% | 0.617 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 129.4 | 167.4 | 22.9 | -29.8 | 0 | 0 | 0 | 108.4 | G171 | P169-G171 PolarHBondContact O-N 2.97Å; P169-G171 VanDerWaalsContact O-N 3.14Å |
| 170 | E | 58.6 | Low | 61.7 | Low | 182 Ų | 182 | 104.7 Ų | 104.7 | 85% | 0.85 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -47.2 | 121.8 | 179 | -117 | 86.7 | -167.5 | 0 | 0 | 110.1 | C168 Q172 | C168-E170 PolarHBondContact O-N 3.39Å; E170-Q172 PolarHBondContact O-N 3.17Å |
| 171 | G | 53 | Low | 59.3 | Low | 76 Ų | 76 | 110.3 Ų | 110.3 | 78% | 0.784 | 63% | 0.631 | S | S | * | * | trans | -16 | 87.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | P169 | P169-G171 PolarHBondContact O-N 2.97Å; P169-G171 VanDerWaalsContact O-N 3.14Å | ||
| 172 | Q | 36.8 | Very low | 56.8 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 64% | 0.635 | S | S | * | * | trans | -101.5 | 106.4 | 146.2 | -80.9 | -174.3 | -26.8 | 0 | 0 | 107.3 | E170 M174 | E170-Q172 PolarHBondContact O-N 3.17Å; Q172-M174 PolarHBondContact O-N 2.84Å | ||
| 173 | P | 41 | Very low | 54.1 | Low | 64 Ų | 64 | 108 Ų | 108 | 42% | 0.416 | 64% | 0.641 | S | S | . | * | trans | -52.7 | 127.7 | 164.1 | -14.5 | 25.3 | 0 | 0 | 0 | 107.8 | M175 | P173-M175 PolarHBondContact O-N 3.27Å; P173-M175 VanDerWaalsContact O-N 3.12Å | ||
| 174 | M | 39.8 | Very low | 51.9 | Low | 147 Ų | 147 | 108 Ų | 108 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -48.7 | 122.7 | 172.7 | -108 | -177.4 | 158.7 | 0 | 0 | 109.1 | Q172 | Q172-M174 PolarHBondContact O-N 2.84Š|
| 175 | M | 36.3 | Very low | 50.1 | Low | 136 Ų | 136 | 102.3 Ų | 102.3 | 67% | 0.67 | 63% | 0.627 | S | S | * | * | trans | 84.2 | 85.2 | 177.4 | -44.4 | -62.2 | 101 | 0 | 0 | 115.3 | P173 Y199 | P173-M175 PolarHBondContact O-N 3.27Å; P173-M175 VanDerWaalsContact O-N 3.12Å; M175-Y199 PolarHBondContact O-OH 3.37Å | ||
| 176 | L | 32.6 | Very low | 48.8 | Very low | 77 Ų | 77 | 103.3 Ų | 103.3 | 40% | 0.403 | 62% | 0.619 | S | S | . | * | trans | -119.5 | 133.5 | 152.3 | -91.5 | 164.8 | 0 | 0 | 0 | 108.4 | L178 Q179 | L176-L178 PolarHBondContact O-N 3.45Å; L176-Q179 HydrophobicContact CD1-CB 4.3Å; L176-Q179 HydrophobicContact CD2-CG 4.3Å | ||
| 177 | P | 34.2 | Very low | 47.6 | Very low | 115 Ų | 115 | 109.2 Ų | 109.2 | 75% | 0.747 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -61.2 | 116.3 | 153.1 | -6 | 21.7 | 0 | 0 | 0 | 106.7 | Q179 | P177-Q179 PolarHBondContact O-N 2.99Š|
| 178 | L | 38 | Very low | 46.8 | Very low | 181 Ų | 181 | 106.4 Ų | 106.4 | 95% | 0.948 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 29.8 | 82.8 | 160.8 | -131 | 78.8 | 0 | 0 | 0 | 115.4 | L176 | L176-L178 PolarHBondContact O-N 3.45Š|
| 179 | Q | 40.6 | Very low | 46.6 | Very low | 100 Ų | 100 | 108 Ų | 108 | 47% | 0.467 | 64% | 0.637 | S | S | . | * | trans | -122.2 | 118.9 | 165.3 | -75.1 | 178.1 | 6.3 | 0 | 0 | 110.1 | L176 P177 | L176-Q179 HydrophobicContact CD1-CB 4.3Å; L176-Q179 HydrophobicContact CD2-CG 4.3Å; P177-Q179 PolarHBondContact O-N 2.99Å | ||
| 180 | S | 31 | Very low | 47.1 | Very low | 92 Ų | 92 | 107.7 Ų | 107.7 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | trans | -63.7 | 142.7 | 174.8 | 45.9 | 0 | 0 | 0 | 0 | 111.7 | G182 | S180-G182 PolarHBondContact O-N 2.85Å; S180-G182 VanDerWaalsContact O-N 3.07Å | ||
| 181 | P | 36.3 | Very low | 48.5 | Very low | 138 Ų | 138 | 101.4 Ų | 101.4 | 90% | 0.896 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 102.9 | 176.6 | 30 | -29.8 | 0 | 0 | 0 | 108.9 | ||
| 182 | G | 37.9 | Very low | 50.1 | Low | 69 Ų | 69 | 100.2 Ų | 100.2 | 71% | 0.711 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -8.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | S180 S184 | S180-G182 PolarHBondContact O-N 2.85Å; S180-G182 VanDerWaalsContact O-N 3.07Å; G182-S184 PolarHBondContact O-N 3.3Å |
| 183 | S | 34.8 | Very low | 52.5 | Low | 62 Ų | 62 | 93 Ų | 93 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | trans | -81.1 | 86.6 | 178.6 | 50.6 | 0 | 0 | 0 | 0 | 111 | D185 | S183-D185 PolarHBondContact O-N 3.49Š| ||
| 184 | S | 43.1 | Very low | 54.5 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 84% | 0.839 | 54% | 0.539 | S | S | * | . | trans | -68.8 | 55.2 | 153.1 | -52.5 | 0 | 0 | 0 | 0 | 108.9 | G182 P186 | G182-S184 PolarHBondContact O-N 3.3Å; S184-P186 WeakPolarHBondContact O-CD 3.3Å | ||
| 185 | D | 47.9 | Very low | 56.5 | Low | 81 Ų | 81 | 90 Ų | 90 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | trans | -87.3 | 111.7 | -177.8 | -157.6 | -21.3 | 0 | 0 | 0 | 108.7 | S183 E187 | S183-D185 PolarHBondContact O-N 3.49Å; D185-E187 PolarHBondContact O-N 2.94Å; D185-E187 VanDerWaalsContact O-N 3.08Å; D185-E187 PolarHBondContact OD1-N 3.42Å | ||
| 186 | P | 53.6 | Low | 58.5 | Low | 97 Ų | 97 | 83.7 Ų | 83.7 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -4.2 | 178.2 | 27.3 | -34.5 | 0 | 0 | 0 | 113.8 | S184 | S184-P186 WeakPolarHBondContact O-CD 3.3Š|
| 187 | E | 56.8 | Low | 60.7 | Low | 164 Ų | 164 | 81.4 Ų | 81.4 | 77% | 0.766 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 5 | -174.8 | -68.6 | -168.9 | 129.8 | 0 | 0 | 115.8 | D185 S189 | D185-E187 PolarHBondContact O-N 2.94Å; D185-E187 VanDerWaalsContact O-N 3.08Å; D185-E187 PolarHBondContact OD1-N 3.42Å; E187-S189 PolarHBondContact O-N 3.29Å |
| 188 | E | 68.4 | Low | 63 | Low | 57 Ų | 57 | 77.8 Ų | 77.8 | 27% | 0.266 | 47% | 0.465 | S | S | . | . | trans | -60.2 | 112.6 | 169.4 | -76.9 | -180 | 168.6 | 0 | 0 | 109.5 | I190 K191 W220 | E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.46Å; E188-K191 IonicContact OE2-NZ 2.79Å; E188-K191 PolarHBondContact OE2-NZ 2.64Å; E188-W220 VanDerWaalsContact O-CZ2 3.25Å; E188-W220 WeakPolarHBondContact O-CZ2 3.16Å | ||
| 189 | S | 80.5 | Confident | 65.3 | Low | 58 Ų | 58 | 75.4 Ų | 75.4 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | trans | -77.4 | -13.8 | -178.2 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | E187 E201 R202 W220 | E187-S189 PolarHBondContact O-N 3.29Å; S189-E201 CarbonylContact O-C 3.54Å; S189-E201 WeakPolarHBondContact O-CA 3.44Å; S189-R202 PolarHBondContact O-N 2.95Å; S189-W220 WeakPolarHBondContact O-CH2 3.45Å | ||
| 190 | I | 87.3 | Confident | 67.6 | Low | 90 Ų | 90 | 71.7 Ų | 71.7 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127 | -175.3 | -57.2 | 175.1 | 0 | 0 | 0 | 110.2 | E188 Y199 I200 E201 | E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.46Å; I190-Y199 HydrophobicContact CG2-CD1 3.92Å; I190-Y199 HydrophobicContact CG2-CG 4.42Å; I190-I200 WeakPolarHBondContact CA-O 3.39Å; I190-E201 HydrophobicContact CG1-CB 4.19Å; I190-E201 HydrophobicContact CG1-CG 4.1Å |
| 191 | K | 88.3 | Confident | 70.3 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 21% | 0.213 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.1 | 174.2 | -65.1 | -173.4 | -177.7 | -66.6 | 0 | 111.2 | E188 I200 W220 | E188-K191 IonicContact OE2-NZ 2.79Å; E188-K191 PolarHBondContact OE2-NZ 2.64Å; K191-I200 PolarHBondContact N-O 3.21Å; K191-I200 PolarHBondContact O-N 2.83Å; K191-W220 HydrophobicContact CB-CE3 4.29Å; K191-W220 HydrophobicContact CB-CH2 3.65Å; K191-W220 HydrophobicContact CB-CZ2 4.17Å; K191-W220 HydrophobicContact CB-CZ3 3.7Å; K191-W220 HydrophobicContact CD-CD2 4.04Å; K191-W220 HydrophobicContact CD-CE3 4.28Å; K191-W220 HydrophobicContact CD-CH2 4.19Å; K191-W220 HydrophobicContact CD-CZ2 3.88Å; K191-W220 HydrophobicContact CD-CZ3 4.37Å; K191-W220 HydrophobicContact CG-CH2 3.7Å; K191-W220 HydrophobicContact CG-CZ2 3.69Å; K191-W220 HydrophobicContact CG-CZ3 4.12Å |
| 192 | Q | 86.6 | Confident | 72.6 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 143.6 | 175.5 | -70.5 | -179.5 | -23.2 | 0 | 0 | 111.6 | V198 Y199 | Q192-V198 CarbonylContact C-O 3.59Å; Q192-V198 WeakPolarHBondContact CA-O 3.26Å; Q192-Y199 HydrophobicContact CG-CD1 3.64Å; Q192-Y199 HydrophobicContact CG-CE1 3.55Å; Q192-Y199 HydrophobicContact CG-CE2 4.48Å; Q192-Y199 HydrophobicContact CG-CG 4.19Å; Q192-Y199 PolarHBondContact NE2-OH 2.74Å |
| 193 | C | 87.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.02 | 39% | 0.391 | C | S | . | . | trans | -62.1 | 128.1 | 168.3 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | M195 C196 G197 V198 I200 C211 C214 | C193-M195 PolarHBondContact O-N 2.83Å; C193-C196 PolarHBondContact O-N 3.34Å; C193-C196 VanDerWaalsContact SG-SG 3.63Å; C193-G197 VanDerWaalsContact O-CA 3.26Å; C193-G197 WeakPolarHBondContact O-CA 3.32Å; C193-G197 PolarHBondContact O-N 2.96Å; C193-V198 HydrophobicContact CB-CG2 3.96Å; C193-V198 PolarHBondContact N-O 3.06Å; C193-I200 HydrophobicContact CB-CD1 3.74Å; C193-C211 HydrophobicContact CB-CB 4.33Å; C193-C214 PolarHBondContact SG-SG 2.93Å | ||
| 194 | P | 84.5 | Confident | 76.3 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.8 | -177.5 | 26 | -34.5 | 0 | 0 | 0 | 113.6 | F218 L223 | P194-F218 HydrophobicContact CG-CB 3.88Å; P194-F218 HydrophobicContact CG-CD1 4.29Å; P194-F218 HydrophobicContact CG-CD2 4.03Å; P194-F218 HydrophobicContact CG-CG 3.81Å; P194-L223 HydrophobicContact CB-CB 4.3Å; P194-L223 HydrophobicContact CG-CB 4.42Å; P194-L223 WeakPolarHBondContact CG-O 3.39Å |
| 195 | M | 81.4 | Confident | 78.1 | Confident | 88 Ų | 88 | 73.3 Ų | 73.3 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -37.2 | 178.6 | -74.9 | -61.1 | -65 | 0 | 0 | 114 | C193 H216 | C193-M195 PolarHBondContact O-N 2.83Å; M195-H216 HydrophobicContact CB-CB 3.9Å; M195-H216 HydrophobicContact CG-CB 3.77Å; M195-H216 WeakPolarHBondContact CG-CD2 3.05Å; M195-H216 WeakPolarHBondContact CG-CE1 3.44Å; M195-H216 VanDerWaalsContact CG-ND1 3.31Å; M195-H216 WeakPolarHBondContact CG-ND1 2.99Å; M195-H216 WeakPolarHBondContact CG-NE2 3.47Å |
| 196 | C | 77.8 | Confident | 80 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | 3.8 | -171.8 | 73.5 | 0 | 0 | 0 | 0 | 114.5 | K115 L116 C193 V198 C214 | K115-C196 WeakPolarHBondContact CD-O 3.28Å; K115-C196 WeakPolarHBondContact CE-O 3.42Å; K115-C196 PolarHBondContact NZ-O 3.34Å; L116-C196 HydrophobicContact CD2-CB 3.51Å; C193-C196 PolarHBondContact O-N 3.34Å; C193-C196 VanDerWaalsContact SG-SG 3.63Å; C196-V198 PolarHBondContact O-N 3.12Å; C196-V198 VanDerWaalsContact SG-CG2 3.55Å; C196-C214 HydrophobicContact CB-CB 3.84Å; C196-C214 PolarHBondContact SG-SG 3.44Å |
| 197 | G | 78 | Confident | 81.6 | Confident | 28 Ų | 28 | 67 Ų | 67 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | 63.5 | 6.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | C193 | C193-G197 VanDerWaalsContact O-CA 3.26Å; C193-G197 WeakPolarHBondContact O-CA 3.32Å; C193-G197 PolarHBondContact O-N 2.96Å | ||
| 198 | V | 83.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | trans | -69.8 | 139 | 174.5 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | Q192 C193 C196 I200 C211 | Q192-V198 CarbonylContact C-O 3.59Å; Q192-V198 WeakPolarHBondContact CA-O 3.26Å; C193-V198 HydrophobicContact CB-CG2 3.96Å; C193-V198 PolarHBondContact N-O 3.06Å; C196-V198 PolarHBondContact O-N 3.12Å; C196-V198 VanDerWaalsContact SG-CG2 3.55Å; V198-I200 HydrophobicContact CG2-CD1 4.43Å; V198-I200 HydrophobicContact CG2-CG1 4.17Å; V198-C211 VanDerWaalsContact CG2-SG 3.55Å | ||
| 199 | Y | 86.6 | Confident | 84.2 | Confident | 130 Ų | 130 | 60 Ų | 60 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 134.1 | 172.9 | -66.4 | -84.3 | 0 | 0 | 0 | 109.9 | M175 I190 Q192 | M175-Y199 PolarHBondContact O-OH 3.37Å; I190-Y199 HydrophobicContact CG2-CD1 3.92Å; I190-Y199 HydrophobicContact CG2-CG 4.42Å; Q192-Y199 HydrophobicContact CG-CD1 3.64Å; Q192-Y199 HydrophobicContact CG-CE1 3.55Å; Q192-Y199 HydrophobicContact CG-CE2 4.48Å; Q192-Y199 HydrophobicContact CG-CG 4.19Å; Q192-Y199 PolarHBondContact NE2-OH 2.74Å |
| 200 | I | 88.4 | Confident | 84.7 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.9 | 179.9 | -64.2 | 171.7 | 0 | 0 | 0 | 106.5 | I190 K191 C193 V198 M209 C211 F218 W220 | I190-I200 WeakPolarHBondContact CA-O 3.39Å; K191-I200 PolarHBondContact N-O 3.21Å; K191-I200 PolarHBondContact O-N 2.83Å; C193-I200 HydrophobicContact CB-CD1 3.74Å; V198-I200 HydrophobicContact CG2-CD1 4.43Å; V198-I200 HydrophobicContact CG2-CG1 4.17Å; I200-M209 HydrophobicContact CG2-CE 3.74Å; I200-C211 HydrophobicContact CD1-CB 3.99Å; I200-F218 HydrophobicContact CD1-CE1 3.73Å; I200-F218 HydrophobicContact CD1-CZ 3.68Å; I200-W220 HydrophobicContact CG2-CZ3 4.31Å; I200-W220 WeakPolarHBondContact O-CH2 3.29Å |
| 201 | E | 87.9 | Confident | 84.7 | Confident | 132 Ų | 132 | 57.8 Ų | 57.8 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 135.1 | 169 | -171.1 | -178.1 | 175.4 | 0 | 0 | 110.1 | S189 I190 | S189-E201 CarbonylContact O-C 3.54Å; S189-E201 WeakPolarHBondContact O-CA 3.44Å; I190-E201 HydrophobicContact CG1-CB 4.19Å; I190-E201 HydrophobicContact CG1-CG 4.1Å |
| 202 | R | 85.6 | Confident | 84.6 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | trans | -95.3 | 109.6 | 172 | -177.4 | 177.5 | 177.1 | -161 | -2.2 | 109.4 | S189 Q204 G205 M209 W220 Y221 | S189-R202 PolarHBondContact O-N 2.95Å; R202-Q204 PolarHBondContact O-N 3.33Å; R202-Q204 VanDerWaalsContact O-N 3.15Å; R202-G205 PolarHBondContact NH2-O 2.74Å; R202-M209 HydrophobicContact CG-SD 4.39Å; R202-W220 HydrophobicContact CB-CD2 4.12Å; R202-W220 HydrophobicContact CB-CE3 4.25Å; R202-W220 HydrophobicContact CB-CH2 3.6Å; R202-W220 HydrophobicContact CB-CZ2 3.48Å; R202-W220 VanDerWaalsContact CB-CZ2 3.48Å; R202-W220 HydrophobicContact CB-CZ3 4Å; R202-W220 HydrophobicContact CG-CD2 4.49Å; R202-Y221 VanDerWaalsContact NH1-CZ 3.32Å; R202-Y221 PolarHBondContact NH1-OH 2.91Å; R202-Y221 PolarHBondContact NH2-OH 3.48Å | ||
| 203 | N | 73.8 | Confident | 84.4 | Confident | 138 Ų | 138 | 63.3 Ų | 63.3 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | trans | -83.4 | 29.1 | 178.5 | 63.1 | -23.8 | 0 | 0 | 0 | 114.2 | ||||
| 204 | Q | 75.3 | Confident | 84.1 | Confident | 171 Ų | 171 | 64.5 Ų | 64.5 | 80% | 0.799 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 77.4 | 170.9 | -173.6 | -47.2 | 170.3 | 25.3 | 0 | 0 | 115.3 | R202 | R202-Q204 PolarHBondContact O-N 3.33Å; R202-Q204 VanDerWaalsContact O-N 3.15Å |
| 205 | G | 82 | Confident | 84.3 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 88 | -129.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R202 | R202-G205 PolarHBondContact NH2-O 2.74Š|
| 206 | C | 86.1 | Confident | 84.6 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | trans | -58.8 | 134.6 | -171.2 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | Q208 L244 | C206-Q208 PolarHBondContact SG-N 2.94Å; C206-Q208 VanDerWaalsContact SG-N 3.4Å; C206-L244 CarbonylContact C-O 3.52Å; C206-L244 VanDerWaalsContact CA-O 3.22Å; C206-L244 WeakPolarHBondContact CA-O 3.34Å | ||
| 207 | A | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -88.1 | -8.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M209 W220 Y221 Y235 K243 L244 | A207-M209 PolarHBondContact O-N 3Å; A207-W220 HydrophobicContact CB-CB 4.42Å; A207-W220 WeakPolarHBondContact O-CB 3.45Å; A207-W220 PolarHBondContact O-N 2.7Å; A207-Y221 HydrophobicContact CB-CD2 3.93Å; A207-Y221 HydrophobicContact CB-CE2 3.49Å; A207-Y221 VanDerWaalsContact CB-CE2 3.49Å; A207-Y235 HydrophobicContact CB-CE1 3.98Å; A207-Y235 PolarHBondContact O-OH 2.85Å; A207-Y235 VanDerWaalsContact O-OH 3.06Å; A207-K243 WeakPolarHBondContact CB-O 3.25Å; A207-L244 PolarHBondContact N-O 3.15Å |
| 208 | Q | 89.6 | Confident | 85.9 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 107.9 | 170.4 | 179.4 | 169.1 | -36.4 | 0 | 0 | 108.1 | C206 T217 L226 Y235 L244 | C206-Q208 PolarHBondContact SG-N 2.94Å; C206-Q208 VanDerWaalsContact SG-N 3.4Å; Q208-T217 HydrophobicContact CG-CG2 3.55Å; Q208-L226 HydrophobicContact CB-CD1 4.49Å; Q208-L226 HydrophobicContact CG-CD1 4.05Å; Q208-Y235 WeakPolarHBondContact CA-OH 3.3Å; Q208-Y235 HydrophobicContact CB-CE2 4.18Å; Q208-Y235 PolarHBondContact N-OH 3.49Å; Q208-Y235 VanDerWaalsContact N-OH 3.16Å; Q208-L244 HydrophobicContact CB-CD1 4.23Å |
| 209 | M | 89.7 | Confident | 86.2 | Confident | 26 Ų | 26 | 62 Ų | 62 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 143.1 | -178 | -62.1 | -53.1 | -59 | 0 | 0 | 110.3 | I200 R202 A207 T217 F218 W220 | I200-M209 HydrophobicContact CG2-CE 3.74Å; R202-M209 HydrophobicContact CG-SD 4.39Å; A207-M209 PolarHBondContact O-N 3Å; M209-T217 CarbonylContact O-C 3.55Å; M209-T217 VanDerWaalsContact O-CA 3.24Å; M209-T217 WeakPolarHBondContact O-CA 3.19Å; M209-F218 HydrophobicContact CB-CD1 4.05Å; M209-F218 HydrophobicContact CB-CD2 4.38Å; M209-F218 HydrophobicContact CB-CE1 3.6Å; M209-F218 HydrophobicContact CB-CE2 3.96Å; M209-F218 HydrophobicContact CB-CG 4.42Å; M209-F218 HydrophobicContact CB-CZ 3.54Å; M209-F218 HydrophobicContact CG-CE2 4.18Å; M209-F218 HydrophobicContact CG-CZ 4.06Å; M209-F218 PolarHBondContact N-O 2.97Å; M209-F218 PolarHBondContact O-N 2.71Å; M209-W220 HydrophobicContact CG-CB 4.13Å; M209-W220 HydrophobicContact CG-CD2 4.47Å; M209-W220 HydrophobicContact CG-CE3 3.72Å; M209-W220 HydrophobicContact CG-CZ3 4.48Å; M209-W220 HydrophobicContact SD-CE3 4.25Å |
| 210 | L | 90.4 | Very high | 86.4 | Confident | 100 Ų | 100 | 56 Ų | 56 | 52% | 0.524 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.6 | 166.7 | 177.7 | 67.5 | 0 | 0 | 0 | 108.2 | K212 K215 | L210-K212 PolarHBondContact O-N 2.91Å; L210-K215 HydrophobicContact CD1-CB 4.46Å; L210-K215 WeakPolarHBondContact CD1-O 3.36Å |
| 211 | C | 88.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | trans | -65.8 | 117.4 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | C193 V198 I200 S213 C214 K215 H216 F218 | C193-C211 HydrophobicContact CB-CB 4.33Å; V198-C211 VanDerWaalsContact CG2-SG 3.55Å; I200-C211 HydrophobicContact CD1-CB 3.99Å; C211-S213 PolarHBondContact O-N 2.96Å; C211-S213 PolarHBondContact SG-N 2.76Å; C211-S213 VanDerWaalsContact SG-N 3.44Å; C211-C214 VanDerWaalsContact CB-SG 3.53Å; C211-C214 PolarHBondContact SG-N 2.59Å; C211-C214 VanDerWaalsContact SG-N 3.42Å; C211-K215 WeakPolarHBondContact O-CA 3.27Å; C211-K215 PolarHBondContact O-N 3.48Å; C211-H216 PolarHBondContact N-O 3.46Å; C211-F218 HydrophobicContact CB-CE1 4.45Å | ||
| 212 | K | 84.9 | Confident | 86.4 | Confident | 184 Ų | 184 | 55.1 Ų | 55.1 | 80% | 0.8 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.5 | 177.3 | -68.8 | -176 | 179.9 | 178.2 | 0 | 112.7 | L210 K215 | L210-K212 PolarHBondContact O-N 2.91Å; K212-K215 PolarHBondContact O-NZ 3.42Å |
| 213 | S | 82.1 | Confident | 86.5 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -67.3 | 178.8 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | R112 C211 | R112-S213 PolarHBondContact NH1-OG 3.03Å; R112-S213 VanDerWaalsContact NH2-CA 3.31Å; R112-S213 PolarHBondContact NH2-O 3.27Å; R112-S213 PolarHBondContact NH2-OG 3.45Å; R112-S213 VanDerWaalsContact NH2-OG 3.16Å; C211-S213 PolarHBondContact O-N 2.96Å; C211-S213 PolarHBondContact SG-N 2.76Å; C211-S213 VanDerWaalsContact SG-N 3.44Å |
| 214 | C | 82.6 | Confident | 87.2 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.6 | -174.5 | 66 | 0 | 0 | 0 | 0 | 115.3 | L116 C193 C196 C211 H216 | L116-C214 HydrophobicContact CD1-CB 4.46Å; L116-C214 HydrophobicContact CD2-CB 3.36Å; C193-C214 PolarHBondContact SG-SG 2.93Å; C196-C214 HydrophobicContact CB-CB 3.84Å; C196-C214 PolarHBondContact SG-SG 3.44Å; C211-C214 VanDerWaalsContact CB-SG 3.53Å; C211-C214 PolarHBondContact SG-N 2.59Å; C211-C214 VanDerWaalsContact SG-N 3.42Å; C214-H216 PolarHBondContact O-N 2.76Å; C214-H216 WeakPolarHBondContact SG-CB 3.28Å |
| 215 | K | 86.8 | Confident | 87.7 | Confident | 136 Ų | 136 | 52 Ų | 52 | 59% | 0.591 | 27% | 0.27 | S | S | * | . | trans | 59.5 | 11 | -173.4 | -49.2 | -53.3 | -174.1 | -165.1 | 0 | 114.9 | L210 C211 K212 T217 | L210-K215 HydrophobicContact CD1-CB 4.46Å; L210-K215 WeakPolarHBondContact CD1-O 3.36Å; C211-K215 WeakPolarHBondContact O-CA 3.27Å; C211-K215 PolarHBondContact O-N 3.48Å; K212-K215 PolarHBondContact O-NZ 3.42Å; K215-T217 PolarHBondContact O-N 3.44Å | ||
| 216 | H | 88.1 | Confident | 88.1 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | trans | -66.5 | 133.2 | 172.5 | -178.2 | 64.2 | 0 | 0 | 0 | 111.3 | M195 C211 C214 F218 N225 D227 | M195-H216 HydrophobicContact CB-CB 3.9Å; M195-H216 HydrophobicContact CG-CB 3.77Å; M195-H216 WeakPolarHBondContact CG-CD2 3.05Å; M195-H216 WeakPolarHBondContact CG-CE1 3.44Å; M195-H216 VanDerWaalsContact CG-ND1 3.31Å; M195-H216 WeakPolarHBondContact CG-ND1 2.99Å; M195-H216 WeakPolarHBondContact CG-NE2 3.47Å; C211-H216 PolarHBondContact N-O 3.46Å; C214-H216 PolarHBondContact O-N 2.76Å; C214-H216 WeakPolarHBondContact SG-CB 3.28Å; H216-F218 AromaticContact CD2-CD1 3.84Å; H216-N225 PolarHBondContact CE1-OD1 3.3Å; H216-D227 WeakPolarHBondContact CA-OD1 3.29Å; H216-D227 IonicContact CE1-OD2 3.03Å; H216-D227 PolarHBondContact CE1-OD2 2.84Å; H216-D227 IonicContact CG-OD2 2.75Å; H216-D227 IonicContact ND1-OD1 3.79Å; H216-D227 PolarHBondContact ND1-OD1 3.2Å; H216-D227 IonicContact ND1-OD2 2.65Å; H216-D227 PolarHBondContact ND1-OD2 3.44Å | ||
| 217 | T | 91.4 | Very high | 87.9 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.7 | 176.7 | -52.3 | 0 | 0 | 0 | 0 | 109 | Q208 M209 K215 L226 D227 | Q208-T217 HydrophobicContact CG-CG2 3.55Å; M209-T217 CarbonylContact O-C 3.55Å; M209-T217 VanDerWaalsContact O-CA 3.24Å; M209-T217 WeakPolarHBondContact O-CA 3.19Å; K215-T217 PolarHBondContact O-N 3.44Å; T217-L226 HydrophobicContact CG2-CB 3.98Å; T217-L226 CarbonylContact O-C 3.46Å; T217-L226 WeakPolarHBondContact O-CA 3.38Å; T217-L226 PolarHBondContact O-N 3.46Å; T217-D227 WeakPolarHBondContact CB-OD1 3.3Å; T217-D227 PolarHBondContact N-OD1 3.27Å |
| 218 | F | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160.9 | -176.9 | 66.7 | -80.6 | 0 | 0 | 0 | 112.8 | P194 I200 M209 C211 H216 L223 Q224 | P194-F218 HydrophobicContact CG-CB 3.88Å; P194-F218 HydrophobicContact CG-CD1 4.29Å; P194-F218 HydrophobicContact CG-CD2 4.03Å; P194-F218 HydrophobicContact CG-CG 3.81Å; I200-F218 HydrophobicContact CD1-CE1 3.73Å; I200-F218 HydrophobicContact CD1-CZ 3.68Å; M209-F218 HydrophobicContact CB-CD1 4.05Å; M209-F218 HydrophobicContact CB-CD2 4.38Å; M209-F218 HydrophobicContact CB-CE1 3.6Å; M209-F218 HydrophobicContact CB-CE2 3.96Å; M209-F218 HydrophobicContact CB-CG 4.42Å; M209-F218 HydrophobicContact CB-CZ 3.54Å; M209-F218 HydrophobicContact CG-CE2 4.18Å; M209-F218 HydrophobicContact CG-CZ 4.06Å; M209-F218 PolarHBondContact N-O 2.97Å; M209-F218 PolarHBondContact O-N 2.71Å; C211-F218 HydrophobicContact CB-CE1 4.45Å; H216-F218 AromaticContact CD2-CD1 3.84Å; F218-L223 HydrophobicContact CD2-CD2 3.96Å; F218-L223 HydrophobicContact CE2-CD2 3.89Å; F218-Q224 WeakPolarHBondContact CA-O 3.36Å; F218-Q224 VanDerWaalsContact CB-O 3.29Å; F218-Q224 WeakPolarHBondContact CB-O 3.24Å |
| 219 | C | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.2 | 174 | -179.2 | 0 | 0 | 0 | 0 | 111 | Y221 C222 L223 Q224 L226 H234 | C219-Y221 VanDerWaalsContact C-N 3.26Å; C219-Y221 PolarHBondContact O-N 3.49Å; C219-C222 WeakPolarHBondContact CB-SG 3.36Å; C219-C222 VanDerWaalsContact SG-SG 3.64Å; C219-L223 WeakPolarHBondContact O-CA 3.45Å; C219-L223 PolarHBondContact O-N 2.77Å; C219-Q224 PolarHBondContact N-O 3.21Å; C219-Q224 VanDerWaalsContact N-O 3.11Å; C219-L226 HydrophobicContact CB-CD1 3.92Å; C219-L226 HydrophobicContact CB-CG 4.47Å; C219-H234 PolarHBondContact SG-NE2 2.86Å; C219-H234 VanDerWaalsContact SG-NE2 3.44Å |
| 220 | W | 90.5 | Very high | 86.3 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.9 | 177.8 | -176.8 | -105.4 | 0 | 0 | 0 | 113.9 | E188 S189 K191 I200 R202 A207 M209 | E188-W220 VanDerWaalsContact O-CZ2 3.25Å; E188-W220 WeakPolarHBondContact O-CZ2 3.16Å; S189-W220 WeakPolarHBondContact O-CH2 3.45Å; K191-W220 HydrophobicContact CB-CE3 4.29Å; K191-W220 HydrophobicContact CB-CH2 3.65Å; K191-W220 HydrophobicContact CB-CZ2 4.17Å; K191-W220 HydrophobicContact CB-CZ3 3.7Å; K191-W220 HydrophobicContact CD-CD2 4.04Å; K191-W220 HydrophobicContact CD-CE3 4.28Å; K191-W220 HydrophobicContact CD-CH2 4.19Å; K191-W220 HydrophobicContact CD-CZ2 3.88Å; K191-W220 HydrophobicContact CD-CZ3 4.37Å; K191-W220 HydrophobicContact CG-CH2 3.7Å; K191-W220 HydrophobicContact CG-CZ2 3.69Å; K191-W220 HydrophobicContact CG-CZ3 4.12Å; I200-W220 HydrophobicContact CG2-CZ3 4.31Å; I200-W220 WeakPolarHBondContact O-CH2 3.29Å; R202-W220 HydrophobicContact CB-CD2 4.12Å; R202-W220 HydrophobicContact CB-CE3 4.25Å; R202-W220 HydrophobicContact CB-CH2 3.6Å; R202-W220 HydrophobicContact CB-CZ2 3.48Å; R202-W220 VanDerWaalsContact CB-CZ2 3.48Å; R202-W220 HydrophobicContact CB-CZ3 4Å; R202-W220 HydrophobicContact CG-CD2 4.49Å; A207-W220 HydrophobicContact CB-CB 4.42Å; A207-W220 WeakPolarHBondContact O-CB 3.45Å; A207-W220 PolarHBondContact O-N 2.7Å; M209-W220 HydrophobicContact CG-CB 4.13Å; M209-W220 HydrophobicContact CG-CD2 4.47Å; M209-W220 HydrophobicContact CG-CE3 3.72Å; M209-W220 HydrophobicContact CG-CZ3 4.48Å; M209-W220 HydrophobicContact SD-CE3 4.25Å |
| 221 | Y | 88.4 | Confident | 85.7 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 35% | 0.349 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -37.3 | -171.4 | -64.5 | -71.9 | 0 | 0 | 0 | 113.6 | R202 A207 C219 K243 | R202-Y221 VanDerWaalsContact NH1-CZ 3.32Å; R202-Y221 PolarHBondContact NH1-OH 2.91Å; R202-Y221 PolarHBondContact NH2-OH 3.48Å; A207-Y221 HydrophobicContact CB-CD2 3.93Å; A207-Y221 HydrophobicContact CB-CE2 3.49Å; A207-Y221 VanDerWaalsContact CB-CE2 3.49Å; C219-Y221 VanDerWaalsContact C-N 3.26Å; C219-Y221 PolarHBondContact O-N 3.49Å; Y221-K243 HydrophobicContact CD2-CB 3.84Å; Y221-K243 HydrophobicContact CD2-CD 4.06Å; Y221-K243 HydrophobicContact CE2-CB 3.59Å; Y221-K243 HydrophobicContact CE2-CD 4.21Å; Y221-K243 HydrophobicContact CE2-CG 4.46Å; Y221-K243 WeakPolarHBondContact CE2-O 3.43Å; Y221-K243 HydrophobicContact CG-CD 4.23Å |
| 222 | C | 87.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 32% | 0.324 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -1.6 | -174.4 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | C219 Q224 H234 C240 | C219-C222 WeakPolarHBondContact CB-SG 3.36Å; C219-C222 VanDerWaalsContact SG-SG 3.64Å; C222-Q224 HydrophobicContact CB-CG 4.44Å; C222-Q224 PolarHBondContact O-N 3.22Å; C222-Q224 VanDerWaalsContact SG-CB 3.59Å; C222-Q224 VanDerWaalsContact SG-CG 3.59Å; C222-H234 PolarHBondContact SG-CE1 3.25Å; C222-H234 PolarHBondContact SG-NE2 2.85Å; C222-C240 VanDerWaalsContact SG-SG 3.67Å |
| 223 | L | 88.3 | Confident | 85.5 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | trans | 56.8 | 16.9 | 179.5 | -52.4 | 179.7 | 0 | 0 | 0 | 114.7 | P194 F218 C219 | P194-L223 HydrophobicContact CB-CB 4.3Å; P194-L223 HydrophobicContact CG-CB 4.42Å; P194-L223 WeakPolarHBondContact CG-O 3.39Å; F218-L223 HydrophobicContact CD2-CD2 3.96Å; F218-L223 HydrophobicContact CE2-CD2 3.89Å; C219-L223 WeakPolarHBondContact O-CA 3.45Å; C219-L223 PolarHBondContact O-N 2.77Å | ||
| 224 | Q | 86.8 | Confident | 85.9 | Confident | 116 Ų | 116 | 62.3 Ų | 62.3 | 54% | 0.542 | 32% | 0.317 | S | S | . | . | trans | -67.4 | 144.7 | 176.6 | -79.8 | -70.3 | -25.7 | 0 | 0 | 111.9 | F218 C219 C222 L226 | F218-Q224 WeakPolarHBondContact CA-O 3.36Å; F218-Q224 VanDerWaalsContact CB-O 3.29Å; F218-Q224 WeakPolarHBondContact CB-O 3.24Å; C219-Q224 PolarHBondContact N-O 3.21Å; C219-Q224 VanDerWaalsContact N-O 3.11Å; C222-Q224 HydrophobicContact CB-CG 4.44Å; C222-Q224 PolarHBondContact O-N 3.22Å; C222-Q224 VanDerWaalsContact SG-CB 3.59Å; C222-Q224 VanDerWaalsContact SG-CG 3.59Å; Q224-L226 PolarHBondContact O-N 2.94Å | ||
| 225 | N | 87.7 | Confident | 86.1 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 124.3 | 174.1 | -178.8 | -12.7 | 0 | 0 | 0 | 110.4 | H216 D227 | H216-N225 PolarHBondContact CE1-OD1 3.3Å; N225-D227 WeakPolarHBondContact OD1-CB 3.48Å; N225-D227 PolarHBondContact OD1-N 2.98Å; N225-D227 PolarHBondContact OD1-OD2 2.95Å |
| 226 | L | 88.9 | Confident | 86.1 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -121.7 | 16.7 | 178.6 | -60.6 | -174.8 | 0 | 0 | 0 | 113.2 | Q208 T217 C219 Q224 G228 D229 H234 Y235 | Q208-L226 HydrophobicContact CB-CD1 4.49Å; Q208-L226 HydrophobicContact CG-CD1 4.05Å; T217-L226 HydrophobicContact CG2-CB 3.98Å; T217-L226 CarbonylContact O-C 3.46Å; T217-L226 WeakPolarHBondContact O-CA 3.38Å; T217-L226 PolarHBondContact O-N 3.46Å; C219-L226 HydrophobicContact CB-CD1 3.92Å; C219-L226 HydrophobicContact CB-CG 4.47Å; Q224-L226 PolarHBondContact O-N 2.94Å; L226-G228 PolarHBondContact O-N 3.31Å; L226-G228 VanDerWaalsContact O-N 3.11Å; L226-D229 HydrophobicContact CB-CB 4.2Å; L226-D229 HydrophobicContact CD2-CB 4.03Å; L226-D229 PolarHBondContact O-N 3.46Å; L226-H234 HydrophobicContact CD1-CB 4.49Å; L226-H234 HydrophobicContact CD2-CB 3.59Å; L226-Y235 HydrophobicContact CD1-CE2 4.11Å | ||
| 227 | D | 82.6 | Confident | 85.9 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.4 | -179 | -72.9 | -32.6 | 0 | 0 | 0 | 112.9 | H216 T217 N225 | H216-D227 WeakPolarHBondContact CA-OD1 3.29Å; H216-D227 IonicContact CE1-OD2 3.03Å; H216-D227 PolarHBondContact CE1-OD2 2.84Å; H216-D227 IonicContact CG-OD2 2.75Å; H216-D227 IonicContact ND1-OD1 3.79Å; H216-D227 PolarHBondContact ND1-OD1 3.2Å; H216-D227 IonicContact ND1-OD2 2.65Å; H216-D227 PolarHBondContact ND1-OD2 3.44Å; T217-D227 WeakPolarHBondContact CB-OD1 3.3Å; T217-D227 PolarHBondContact N-OD1 3.27Å; N225-D227 WeakPolarHBondContact OD1-CB 3.48Å; N225-D227 PolarHBondContact OD1-N 2.98Å; N225-D227 PolarHBondContact OD1-OD2 2.95Å |
| 228 | G | 80.3 | Confident | 85.6 | Confident | 72 Ų | 72 | 67.1 Ų | 67.1 | 74% | 0.742 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -5.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L226 I230 | L226-G228 PolarHBondContact O-N 3.31Å; L226-G228 VanDerWaalsContact O-N 3.11Å; G228-I230 VanDerWaalsContact C-N 3.3Å; G228-I230 PolarHBondContact O-N 3.49Å; G228-I230 VanDerWaalsContact O-N 3.12Å |
| 229 | D | 80.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.134 | 39% | 0.386 | C | S | . | . | trans | -92.1 | 57.9 | -173.9 | -167.7 | 21.7 | 0 | 0 | 0 | 112.7 | L226 F231 L232 R233 H234 | L226-D229 HydrophobicContact CB-CB 4.2Å; L226-D229 HydrophobicContact CD2-CB 4.03Å; L226-D229 PolarHBondContact O-N 3.46Å; D229-F231 PolarHBondContact O-N 2.83Å; D229-F231 VanDerWaalsContact O-N 3.12Å; D229-L232 PolarHBondContact O-N 3.47Å; D229-L232 VanDerWaalsContact O-N 3.13Å; D229-L232 PolarHBondContact OD1-N 3Å; D229-R233 VanDerWaalsContact CG-N 3.29Å; D229-R233 WeakPolarHBondContact OD1-CB 3.37Å; D229-R233 PolarHBondContact OD1-N 3.43Å; D229-R233 PolarHBondContact OD2-N 2.79Å; D229-H234 WeakPolarHBondContact OD2-CB 3.31Å; D229-H234 PolarHBondContact OD2-N 3.33Å | ||
| 230 | I | 73.5 | Confident | 85.3 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 61% | 0.605 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.8 | 179.2 | -55.3 | 170.1 | 0 | 0 | 0 | 111.5 | G228 | G228-I230 VanDerWaalsContact C-N 3.3Å; G228-I230 PolarHBondContact O-N 3.49Å; G228-I230 VanDerWaalsContact O-N 3.12Å |
| 231 | F | 78.3 | Confident | 85.2 | Confident | 143 Ų | 143 | 80 Ų | 80 | 63% | 0.627 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 9.6 | -177.6 | -65.7 | -68.5 | 0 | 0 | 0 | 113.8 | D229 R233 R248 | D229-F231 PolarHBondContact O-N 2.83Å; D229-F231 VanDerWaalsContact O-N 3.12Å; F231-R233 HydrophobicContact CB-CG 3.8Å; F231-R233 PolarHBondContact O-N 3.43Å; F231-R233 VanDerWaalsContact O-N 3.1Å; F231-R248 PolarHBondContact O-NH2 3.08Å |
| 232 | L | 83.3 | Confident | 85 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | trans | 57.2 | 26.4 | 176.8 | -59.2 | 156 | 0 | 0 | 0 | 112.5 | D229 H234 Y235 L244 R248 | D229-L232 PolarHBondContact O-N 3.47Å; D229-L232 VanDerWaalsContact O-N 3.13Å; D229-L232 PolarHBondContact OD1-N 3Å; L232-H234 PolarHBondContact O-N 2.85Å; L232-Y235 HydrophobicContact CB-CD2 4.34Å; L232-Y235 HydrophobicContact CD2-CD2 4.29Å; L232-Y235 HydrophobicContact CD2-CE2 4.33Å; L232-Y235 PolarHBondContact O-N 2.91Å; L232-Y235 VanDerWaalsContact O-N 3.14Å; L232-L244 HydrophobicContact CD1-CD2 3.92Å; L232-L244 HydrophobicContact CD2-CD1 3.71Å; L232-L244 HydrophobicContact CD2-CD2 3.87Å; L232-L244 HydrophobicContact CD2-CG 4.47Å; L232-L244 HydrophobicContact CG-CD2 4.36Å; L232-R248 PolarHBondContact O-NH1 3.28Å | ||
| 233 | R | 86 | Confident | 84.9 | Confident | 175 Ų | 175 | 84.4 Ų | 84.4 | 66% | 0.66 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -65.6 | -26 | -172.5 | -64.3 | 176.7 | 67.2 | 171.1 | -0.1 | 111.7 | D229 F231 Y235 D236 | D229-R233 VanDerWaalsContact CG-N 3.29Å; D229-R233 WeakPolarHBondContact OD1-CB 3.37Å; D229-R233 PolarHBondContact OD1-N 3.43Å; D229-R233 PolarHBondContact OD2-N 2.79Å; F231-R233 HydrophobicContact CB-CG 3.8Å; F231-R233 PolarHBondContact O-N 3.43Å; F231-R233 VanDerWaalsContact O-N 3.1Å; R233-Y235 PolarHBondContact O-N 2.95Å; R233-D236 WeakPolarHBondContact O-CB 3.38Å; R233-D236 PolarHBondContact O-N 3.08Å; R233-D236 VanDerWaalsContact O-N 3.11Å |
| 234 | H | 89.2 | Confident | 84.7 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 21% | 0.213 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -53.2 | -32.8 | 173.6 | -178.2 | 79.5 | 0 | 0 | 0 | 112.8 | C219 C222 L226 D229 L232 C240 | C219-H234 PolarHBondContact SG-NE2 2.86Å; C219-H234 VanDerWaalsContact SG-NE2 3.44Å; C222-H234 PolarHBondContact SG-CE1 3.25Å; C222-H234 PolarHBondContact SG-NE2 2.85Å; L226-H234 HydrophobicContact CD1-CB 4.49Å; L226-H234 HydrophobicContact CD2-CB 3.59Å; D229-H234 WeakPolarHBondContact OD2-CB 3.31Å; D229-H234 PolarHBondContact OD2-N 3.33Å; L232-H234 PolarHBondContact O-N 2.85Å; H234-C240 VanDerWaalsContact NE2-CB 3.27Å; H234-C240 WeakPolarHBondContact NE2-CB 3.28Å; H234-C240 PolarHBondContact NE2-SG 3.4Å; H234-C240 VanDerWaalsContact NE2-SG 3.39Å |
| 235 | Y | 88.6 | Confident | 84.3 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 2% | 0.02 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -89.7 | 2.4 | -177 | -60 | -83.3 | 0 | 0 | 0 | 114.1 | A207 Q208 L226 L232 R233 C240 R241 N242 L244 | A207-Y235 HydrophobicContact CB-CE1 3.98Å; A207-Y235 PolarHBondContact O-OH 2.85Å; A207-Y235 VanDerWaalsContact O-OH 3.06Å; Q208-Y235 WeakPolarHBondContact CA-OH 3.3Å; Q208-Y235 HydrophobicContact CB-CE2 4.18Å; Q208-Y235 PolarHBondContact N-OH 3.49Å; Q208-Y235 VanDerWaalsContact N-OH 3.16Å; L226-Y235 HydrophobicContact CD1-CE2 4.11Å; L232-Y235 HydrophobicContact CB-CD2 4.34Å; L232-Y235 HydrophobicContact CD2-CD2 4.29Å; L232-Y235 HydrophobicContact CD2-CE2 4.33Å; L232-Y235 PolarHBondContact O-N 2.91Å; L232-Y235 VanDerWaalsContact O-N 3.14Å; R233-Y235 PolarHBondContact O-N 2.95Å; Y235-C240 HydrophobicContact CD1-CB 4.42Å; Y235-C240 WeakPolarHBondContact CD1-O 3.47Å; Y235-R241 VanDerWaalsContact O-CA 3.28Å; Y235-R241 WeakPolarHBondContact O-CA 3.32Å; Y235-N242 PolarHBondContact O-N 2.96Å; Y235-L244 HydrophobicContact CD1-CB 3.99Å; Y235-L244 HydrophobicContact CD1-CD1 4.39Å; Y235-L244 HydrophobicContact CD2-CB 4.4Å; Y235-L244 HydrophobicContact CD2-CD1 3.76Å; Y235-L244 HydrophobicContact CE1-CB 4.42Å; Y235-L244 HydrophobicContact CE1-CD1 4.22Å; Y235-L244 HydrophobicContact CE2-CD1 3.55Å; Y235-L244 HydrophobicContact CG-CB 3.98Å; Y235-L244 HydrophobicContact CG-CD1 4.18Å |
| 236 | D | 86.1 | Confident | 83.7 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -25.4 | -179.2 | -64.2 | -24.5 | 0 | 0 | 0 | 112.6 | R233 R241 R248 | R233-D236 WeakPolarHBondContact O-CB 3.38Å; R233-D236 PolarHBondContact O-N 3.08Å; R233-D236 VanDerWaalsContact O-N 3.11Å; D236-R241 WeakPolarHBondContact O-CD 3.43Å; D236-R248 IonicContact OD1-CZ 3.42Å; D236-R248 IonicContact OD1-NE 3.46Å; D236-R248 IonicContact OD1-NH1 3.99Å; D236-R248 PolarHBondContact OD1-NH1 3.41Å; D236-R248 IonicContact OD2-CZ 2.73Å; D236-R248 IonicContact OD2-NH1 2.74Å |
| 237 | K | 83.6 | Confident | 82.8 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 75% | 0.748 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -144.2 | 165.6 | -174.3 | -61.6 | -174.4 | -176.3 | -177.6 | 0 | 111.5 | ||
| 238 | G | 86.1 | Confident | 82 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 56% | 0.557 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | 73.1 | -162.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C240 R241 | G238-C240 PolarHBondContact O-N 2.93Å; G238-R241 VanDerWaalsContact O-CB 3.27Å; G238-R241 WeakPolarHBondContact O-CB 3.24Å; G238-R241 PolarHBondContact O-N 3.16Å; G238-R241 VanDerWaalsContact O-N 3.15Å |
| 239 | P | 86.6 | Confident | 81.2 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 74% | 0.74 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -70.5 | -16 | -168.3 | 27.3 | -35.3 | 0 | 0 | 0 | 114.7 | K243 | P239-K243 PolarHBondContact O-NZ 3.29Š|
| 240 | C | 89.1 | Confident | 80.5 | Confident | 4 Ų | 4 | 82.5 Ų | 82.5 | 3% | 0.027 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -101.3 | 7.6 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | C222 H234 Y235 G238 N242 K243 | C222-C240 VanDerWaalsContact SG-SG 3.67Å; H234-C240 VanDerWaalsContact NE2-CB 3.27Å; H234-C240 WeakPolarHBondContact NE2-CB 3.28Å; H234-C240 PolarHBondContact NE2-SG 3.4Å; H234-C240 VanDerWaalsContact NE2-SG 3.39Å; Y235-C240 HydrophobicContact CD1-CB 4.42Å; Y235-C240 WeakPolarHBondContact CD1-O 3.47Å; G238-C240 PolarHBondContact O-N 2.93Å; C240-N242 PolarHBondContact O-N 2.79Å; C240-K243 WeakPolarHBondContact O-CB 3.08Å; C240-K243 PolarHBondContact O-N 3.08Å; C240-K243 VanDerWaalsContact O-N 3.1Å |
| 241 | R | 87.8 | Confident | 80.2 | Confident | 156 Ų | 156 | 79.5 Ų | 79.5 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.2 | 179.9 | -177.2 | 177 | 175.8 | -163.8 | -1.3 | 111.4 | Y235 D236 G238 K243 | Y235-R241 VanDerWaalsContact O-CA 3.28Å; Y235-R241 WeakPolarHBondContact O-CA 3.32Å; D236-R241 WeakPolarHBondContact O-CD 3.43Å; G238-R241 VanDerWaalsContact O-CB 3.27Å; G238-R241 WeakPolarHBondContact O-CB 3.24Å; G238-R241 PolarHBondContact O-N 3.16Å; G238-R241 VanDerWaalsContact O-N 3.15Å; R241-K243 PolarHBondContact O-N 2.88Å; R241-K243 VanDerWaalsContact O-N 3.14Å |
| 242 | N | 83.9 | Confident | 79.8 | Confident | 134 Ų | 134 | 78.7 Ų | 78.7 | 72% | 0.717 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 9.9 | -179.5 | -56.4 | -32.2 | 0 | 0 | 0 | 115.8 | Y235 C240 L244 | Y235-N242 PolarHBondContact O-N 2.96Å; C240-N242 PolarHBondContact O-N 2.79Å; N242-L244 VanDerWaalsContact C-N 3.33Å; N242-L244 PolarHBondContact O-N 3.16Å |
| 243 | K | 86.1 | Confident | 79.2 | Confident | 95 Ų | 95 | 86.3 Ų | 86.3 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 14.9 | -179.9 | -62.5 | -170.3 | 178.9 | 166.5 | 0 | 114.1 | A207 Y221 P239 C240 R241 G245 | A207-K243 WeakPolarHBondContact CB-O 3.25Å; Y221-K243 HydrophobicContact CD2-CB 3.84Å; Y221-K243 HydrophobicContact CD2-CD 4.06Å; Y221-K243 HydrophobicContact CE2-CB 3.59Å; Y221-K243 HydrophobicContact CE2-CD 4.21Å; Y221-K243 HydrophobicContact CE2-CG 4.46Å; Y221-K243 WeakPolarHBondContact CE2-O 3.43Å; Y221-K243 HydrophobicContact CG-CD 4.23Å; P239-K243 PolarHBondContact O-NZ 3.29Å; C240-K243 WeakPolarHBondContact O-CB 3.08Å; C240-K243 PolarHBondContact O-N 3.08Å; C240-K243 VanDerWaalsContact O-N 3.1Å; R241-K243 PolarHBondContact O-N 2.88Å; R241-K243 VanDerWaalsContact O-N 3.14Å; K243-G245 VanDerWaalsContact C-N 3.27Å; K243-G245 PolarHBondContact O-N 3.05Å |
| 244 | L | 84.3 | Confident | 78.6 | Confident | 6 Ų | 6 | 82.6 Ų | 82.6 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.7 | -177.3 | -174.7 | 61.6 | 0 | 0 | 0 | 112.9 | C206 A207 Q208 L232 Y235 N242 H246 R248 | C206-L244 CarbonylContact C-O 3.52Å; C206-L244 VanDerWaalsContact CA-O 3.22Å; C206-L244 WeakPolarHBondContact CA-O 3.34Å; A207-L244 PolarHBondContact N-O 3.15Å; Q208-L244 HydrophobicContact CB-CD1 4.23Å; L232-L244 HydrophobicContact CD1-CD2 3.92Å; L232-L244 HydrophobicContact CD2-CD1 3.71Å; L232-L244 HydrophobicContact CD2-CD2 3.87Å; L232-L244 HydrophobicContact CD2-CG 4.47Å; L232-L244 HydrophobicContact CG-CD2 4.36Å; Y235-L244 HydrophobicContact CD1-CB 3.99Å; Y235-L244 HydrophobicContact CD1-CD1 4.39Å; Y235-L244 HydrophobicContact CD2-CB 4.4Å; Y235-L244 HydrophobicContact CD2-CD1 3.76Å; Y235-L244 HydrophobicContact CE1-CB 4.42Å; Y235-L244 HydrophobicContact CE1-CD1 4.22Å; Y235-L244 HydrophobicContact CE2-CD1 3.55Å; Y235-L244 HydrophobicContact CG-CB 3.98Å; Y235-L244 HydrophobicContact CG-CD1 4.18Å; N242-L244 VanDerWaalsContact C-N 3.33Å; N242-L244 PolarHBondContact O-N 3.16Å; L244-H246 VanDerWaalsContact CD2-CE1 3.43Å; L244-H246 WeakPolarHBondContact CD2-CE1 3.29Å; L244-R248 HydrophobicContact CD2-CG 4.32Å |
| 245 | G | 78.6 | Confident | 78 | Confident | 54 Ų | 54 | 87.5 Ų | 87.5 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 88.8 | -1.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K243 | K243-G245 VanDerWaalsContact C-N 3.27Å; K243-G245 PolarHBondContact O-N 3.05Å |
| 246 | H | 74.8 | Confident | 77.8 | Confident | 72 Ų | 72 | 92 Ų | 92 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -146.2 | 160.3 | 167.9 | 65.8 | 75.9 | 0 | 0 | 0 | 111 | L244 | L244-H246 VanDerWaalsContact CD2-CE1 3.43Å; L244-H246 WeakPolarHBondContact CD2-CE1 3.29Å |
| 247 | S | 69.2 | Low | 77.7 | Confident | 79 Ų | 79 | 93.2 Ų | 93.2 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | trans | -68.3 | 133 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | A249 S250 | S247-A249 PolarHBondContact O-N 2.83Å; S247-A249 WeakPolarHBondContact OG-CB 3.49Å; S247-A249 PolarHBondContact OG-N 3.4Å; S247-S250 PolarHBondContact O-N 3.47Å; S247-S250 PolarHBondContact O-OG 2.75Å | ||
| 248 | R | 66.1 | Low | 78 | Confident | 80 Ų | 80 | 88.5 Ų | 88.5 | 30% | 0.302 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -27 | 173.1 | -65.5 | 172.9 | 66.1 | 106.7 | 12.8 | 111.8 | F231 L232 D236 L244 S250 V251 M252 | F231-R248 PolarHBondContact O-NH2 3.08Å; L232-R248 PolarHBondContact O-NH1 3.28Å; D236-R248 IonicContact OD1-CZ 3.42Å; D236-R248 IonicContact OD1-NE 3.46Å; D236-R248 IonicContact OD1-NH1 3.99Å; D236-R248 PolarHBondContact OD1-NH1 3.41Å; D236-R248 IonicContact OD2-CZ 2.73Å; D236-R248 IonicContact OD2-NH1 2.74Å; L244-R248 HydrophobicContact CD2-CG 4.32Å; R248-S250 VanDerWaalsContact C-N 3.26Å; R248-S250 PolarHBondContact O-N 3.32Å; R248-V251 PolarHBondContact O-N 3.34Å; R248-M252 PolarHBondContact O-N 3.11Å; R248-M252 VanDerWaalsContact O-N 3.1Å |
| 249 | A | 63.9 | Low | 78.2 | Confident | 63 Ų | 63 | 90.1 Ų | 90.1 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S247 V251 W253 | S247-A249 PolarHBondContact O-N 2.83Å; S247-A249 WeakPolarHBondContact OG-CB 3.49Å; S247-A249 PolarHBondContact OG-N 3.4Å; A249-V251 PolarHBondContact O-N 2.88Å; A249-W253 WeakPolarHBondContact O-CA 3.32Å; A249-W253 WeakPolarHBondContact O-CB 3.27Å; A249-W253 PolarHBondContact O-N 3.45Å |
| 250 | S | 66.3 | Low | 78.4 | Confident | 69 Ų | 69 | 86.7 Ų | 86.7 | 48% | 0.483 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 179.2 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | S247 R248 N254 | S247-S250 PolarHBondContact O-N 3.47Å; S247-S250 PolarHBondContact O-OG 2.75Å; R248-S250 VanDerWaalsContact C-N 3.26Å; R248-S250 PolarHBondContact O-N 3.32Å; S250-N254 VanDerWaalsContact O-CB 3.24Å; S250-N254 WeakPolarHBondContact O-CB 3.34Å; S250-N254 PolarHBondContact O-N 3.46Å |
| 251 | V | 67.4 | Low | 78.7 | Confident | 56 Ų | 56 | 91.1 Ų | 91.1 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.2 | -44.8 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | R248 A249 R255 | R248-V251 PolarHBondContact O-N 3.34Å; A249-V251 PolarHBondContact O-N 2.88Å; V251-R255 WeakPolarHBondContact O-CG 3.5Å; V251-R255 PolarHBondContact O-N 2.78Å; V251-R255 VanDerWaalsContact O-N 3.08Å |
| 252 | M | 68.3 | Low | 78.9 | Confident | 125 Ų | 125 | 88.9 Ų | 88.9 | 62% | 0.616 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 176.7 | -66.6 | -159 | 77.2 | 0 | 0 | 111.9 | R248 R255 T256 | R248-M252 PolarHBondContact O-N 3.11Å; R248-M252 VanDerWaalsContact O-N 3.1Å; M252-R255 PolarHBondContact O-N 3.11Å; M252-T256 PolarHBondContact O-N 2.94Å; M252-T256 PolarHBondContact O-OG1 3.13Å; M252-T256 VanDerWaalsContact O-OG1 3.05Å |
| 253 | W | 70.6 | Confident | 79.4 | Confident | 186 Ų | 186 | 86.2 Ų | 86.2 | 71% | 0.705 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.5 | -47.3 | 174.8 | -174.9 | -89.7 | 0 | 0 | 0 | 111.2 | A249 R255 T256 Q257 | A249-W253 WeakPolarHBondContact O-CA 3.32Å; A249-W253 WeakPolarHBondContact O-CB 3.27Å; A249-W253 PolarHBondContact O-N 3.45Å; W253-R255 PolarHBondContact O-N 2.93Å; W253-T256 PolarHBondContact O-N 3.12Å; W253-Q257 WeakPolarHBondContact O-CB 3.25Å; W253-Q257 PolarHBondContact O-N 2.95Å |
| 254 | N | 73.4 | Confident | 79.9 | Confident | 97 Ų | 97 | 83 Ų | 83 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.4 | -165.7 | 38.8 | 0 | 0 | 0 | 111.9 | S250 Q257 V258 | S250-N254 VanDerWaalsContact O-CB 3.24Å; S250-N254 WeakPolarHBondContact O-CB 3.34Å; S250-N254 PolarHBondContact O-N 3.46Å; N254-Q257 PolarHBondContact O-N 2.84Å; N254-V258 VanDerWaalsContact O-CG2 3.29Å; N254-V258 WeakPolarHBondContact O-CG2 3.22Å; N254-V258 PolarHBondContact O-N 2.82Å |
| 255 | R | 78.4 | Confident | 80.4 | Confident | 149 Ų | 149 | 86.6 Ų | 86.6 | 56% | 0.562 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 175.5 | -78.6 | -177.1 | 165.5 | -177.3 | -2.5 | 112.4 | V251 M252 W253 Q257 V258 V259 | V251-R255 WeakPolarHBondContact O-CG 3.5Å; V251-R255 PolarHBondContact O-N 2.78Å; V251-R255 VanDerWaalsContact O-N 3.08Å; M252-R255 PolarHBondContact O-N 3.11Å; W253-R255 PolarHBondContact O-N 2.93Å; R255-Q257 VanDerWaalsContact C-N 3.33Å; R255-V258 PolarHBondContact O-N 3.24Å; R255-V259 WeakPolarHBondContact O-CG2 3.31Å; R255-V259 PolarHBondContact O-N 3.05Å |
| 256 | T | 82.9 | Confident | 81 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.2 | -36.1 | 178.7 | -54 | 0 | 0 | 0 | 0 | 111.6 | M252 W253 V259 G260 | M252-T256 PolarHBondContact O-N 2.94Å; M252-T256 PolarHBondContact O-OG1 3.13Å; M252-T256 VanDerWaalsContact O-OG1 3.05Å; W253-T256 PolarHBondContact O-N 3.12Å; T256-V259 PolarHBondContact O-N 2.94Å; T256-G260 PolarHBondContact O-N 3.45Å |
| 257 | Q | 84.4 | Confident | 82 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 177.1 | -176.2 | 179.6 | 1.6 | 0 | 0 | 111.6 | W253 N254 R255 G260 I261 | W253-Q257 WeakPolarHBondContact O-CB 3.25Å; W253-Q257 PolarHBondContact O-N 2.95Å; N254-Q257 PolarHBondContact O-N 2.84Å; R255-Q257 VanDerWaalsContact C-N 3.33Å; Q257-G260 PolarHBondContact O-N 3.46Å; Q257-I261 HydrophobicContact CG-CD1 4Å; Q257-I261 VanDerWaalsContact O-CG1 3.28Å; Q257-I261 WeakPolarHBondContact O-CG1 3.3Å; Q257-I261 PolarHBondContact O-N 3.36Å |
| 258 | V | 89.9 | Confident | 83.3 | Confident | 72 Ų | 72 | 89.6 Ų | 89.6 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111 | N254 R255 G260 I261 L262 | N254-V258 VanDerWaalsContact O-CG2 3.29Å; N254-V258 WeakPolarHBondContact O-CG2 3.22Å; N254-V258 PolarHBondContact O-N 2.82Å; R255-V258 PolarHBondContact O-N 3.24Å; V258-G260 VanDerWaalsContact C-N 3.32Å; V258-G260 PolarHBondContact O-N 3.16Å; V258-I261 PolarHBondContact O-N 3.06Å; V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 3.5Å |
| 259 | V | 89.6 | Confident | 84.6 | Confident | 88 Ų | 88 | 89.8 Ų | 89.8 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | R255 T256 I261 L262 V263 | R255-V259 WeakPolarHBondContact O-CG2 3.31Å; R255-V259 PolarHBondContact O-N 3.05Å; T256-V259 PolarHBondContact O-N 2.94Å; V259-I261 PolarHBondContact O-N 3.35Å; V259-L262 PolarHBondContact O-N 3.25Å; V259-V263 HydrophobicContact CG1-CG2 4.33Å; V259-V263 WeakPolarHBondContact O-CB 3.24Å; V259-V263 VanDerWaalsContact O-CG2 3.29Å; V259-V263 WeakPolarHBondContact O-CG2 3.12Å; V259-V263 PolarHBondContact O-N 2.79Å |
| 260 | G | 92 | Very high | 86.1 | Confident | 43 Ų | 43 | 93 Ų | 93 | 44% | 0.443 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T256 Q257 V258 G264 | T256-G260 PolarHBondContact O-N 3.45Å; Q257-G260 PolarHBondContact O-N 3.46Å; V258-G260 VanDerWaalsContact C-N 3.32Å; V258-G260 PolarHBondContact O-N 3.16Å; G260-G264 PolarHBondContact O-N 3.39Å |
| 261 | I | 94.1 | Very high | 87.4 | Confident | 96 Ų | 96 | 94 Ų | 94 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 176 | -69.9 | 165.5 | 0 | 0 | 0 | 110.5 | Q257 V258 V259 V263 G264 V265 | Q257-I261 HydrophobicContact CG-CD1 4Å; Q257-I261 VanDerWaalsContact O-CG1 3.28Å; Q257-I261 WeakPolarHBondContact O-CG1 3.3Å; Q257-I261 PolarHBondContact O-N 3.36Å; V258-I261 PolarHBondContact O-N 3.06Å; V259-I261 PolarHBondContact O-N 3.35Å; I261-V263 PolarHBondContact O-N 2.79Å; I261-G264 PolarHBondContact O-N 3.1Å; I261-V265 HydrophobicContact CG2-CG2 4.27Å; I261-V265 WeakPolarHBondContact O-CB 3.23Å; I261-V265 VanDerWaalsContact O-CG2 3.29Å; I261-V265 WeakPolarHBondContact O-CG2 3.48Å; I261-V265 PolarHBondContact O-N 3.07Å |
| 262 | L | 93.4 | Very high | 88.6 | Confident | 109 Ų | 109 | 94 Ų | 94 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 179.8 | -70.7 | 173.9 | 0 | 0 | 0 | 111.9 | V258 V259 S266 | V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 3.5Å; V259-L262 PolarHBondContact O-N 3.25Å; L262-S266 WeakPolarHBondContact O-CB 3.47Å; L262-S266 PolarHBondContact O-N 3.08Å; L262-S266 PolarHBondContact O-OG 2.95Å |
| 263 | V | 94.6 | Very high | 89.8 | Confident | 78 Ų | 78 | 90.6 Ų | 90.6 | 47% | 0.473 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | V259 I261 S266 I267 | V259-V263 HydrophobicContact CG1-CG2 4.33Å; V259-V263 WeakPolarHBondContact O-CB 3.24Å; V259-V263 VanDerWaalsContact O-CG2 3.29Å; V259-V263 WeakPolarHBondContact O-CG2 3.12Å; V259-V263 PolarHBondContact O-N 2.79Å; I261-V263 PolarHBondContact O-N 2.79Å; V263-S266 PolarHBondContact O-N 3.33Å; V263-I267 HydrophobicContact CG1-CD1 3.81Å; V263-I267 HydrophobicContact CG1-CG1 4.48Å; V263-I267 VanDerWaalsContact O-CG1 3.32Å; V263-I267 WeakPolarHBondContact O-CG1 3.38Å; V263-I267 PolarHBondContact O-N 3.34Å |
| 264 | G | 95 | Very high | 90.8 | Very high | 28 Ų | 28 | 84.9 Ų | 84.9 | 29% | 0.289 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G260 I261 S266 I267 I268 | G260-G264 PolarHBondContact O-N 3.39Å; I261-G264 PolarHBondContact O-N 3.1Å; G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 3.07Å; G264-I267 PolarHBondContact O-N 3.44Å; G264-I268 VanDerWaalsContact O-CG1 3.27Å; G264-I268 WeakPolarHBondContact O-CG1 3.27Å; G264-I268 PolarHBondContact O-N 3.47Å |
| 265 | V | 95.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 85.5 Ų | 85.5 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | I261 I267 I268 V269 | I261-V265 HydrophobicContact CG2-CG2 4.27Å; I261-V265 WeakPolarHBondContact O-CB 3.23Å; I261-V265 VanDerWaalsContact O-CG2 3.29Å; I261-V265 WeakPolarHBondContact O-CG2 3.48Å; I261-V265 PolarHBondContact O-N 3.07Å; V265-I267 PolarHBondContact O-N 2.88Å; V265-I268 PolarHBondContact O-N 3.41Å; V265-V269 HydrophobicContact CG1-CG2 4.4Å; V265-V269 WeakPolarHBondContact O-CG2 3.5Å; V265-V269 PolarHBondContact O-N 3.12Å |
| 266 | S | 92.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 83.5 Ų | 83.5 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | L262 V263 G264 V269 L270 | L262-S266 WeakPolarHBondContact O-CB 3.47Å; L262-S266 PolarHBondContact O-N 3.08Å; L262-S266 PolarHBondContact O-OG 2.95Å; V263-S266 PolarHBondContact O-N 3.33Å; G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 3.07Å; S266-V269 PolarHBondContact O-N 3.35Å; S266-L270 WeakPolarHBondContact O-CB 3.47Å; S266-L270 VanDerWaalsContact O-CG 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.38Å; S266-L270 PolarHBondContact O-N 3.34Å |
| 267 | I | 95.5 | Very high | 92.2 | Very high | 94 Ų | 94 | 84.6 Ų | 84.6 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.5 | -67.4 | 167.5 | 0 | 0 | 0 | 110.6 | V263 G264 V265 V269 L270 V271 | V263-I267 HydrophobicContact CG1-CD1 3.81Å; V263-I267 HydrophobicContact CG1-CG1 4.48Å; V263-I267 VanDerWaalsContact O-CG1 3.32Å; V263-I267 WeakPolarHBondContact O-CG1 3.38Å; V263-I267 PolarHBondContact O-N 3.34Å; G264-I267 PolarHBondContact O-N 3.44Å; V265-I267 PolarHBondContact O-N 2.88Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 3.14Å; I267-L270 PolarHBondContact O-N 2.78Å; I267-V271 HydrophobicContact CG2-CG2 4.29Å; I267-V271 WeakPolarHBondContact O-CG2 3.44Å; I267-V271 PolarHBondContact O-N 2.97Å |
| 268 | I | 95.2 | Very high | 92.5 | Very high | 105 Ų | 105 | 86.5 Ų | 86.5 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 178.2 | -69.3 | 164.8 | 0 | 0 | 0 | 110.2 | G264 V265 V271 T272 | G264-I268 VanDerWaalsContact O-CG1 3.27Å; G264-I268 WeakPolarHBondContact O-CG1 3.27Å; G264-I268 PolarHBondContact O-N 3.47Å; V265-I268 PolarHBondContact O-N 3.41Å; I268-V271 PolarHBondContact O-N 2.84Å; I268-T272 HydrophobicContact CG2-CG2 3.99Å; I268-T272 VanDerWaalsContact O-CB 3.27Å; I268-T272 WeakPolarHBondContact O-CB 3.39Å; I268-T272 VanDerWaalsContact O-CG2 3.25Å; I268-T272 WeakPolarHBondContact O-CG2 3.18Å; I268-T272 PolarHBondContact O-N 3.34Å; I268-T272 PolarHBondContact O-OG1 3.01Å |
| 269 | V | 94.5 | Very high | 92.3 | Very high | 84 Ų | 84 | 84.8 Ų | 84.8 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | V265 S266 I267 V271 S273 | V265-V269 HydrophobicContact CG1-CG2 4.4Å; V265-V269 WeakPolarHBondContact O-CG2 3.5Å; V265-V269 PolarHBondContact O-N 3.12Å; S266-V269 PolarHBondContact O-N 3.35Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 3.14Å; V269-V271 VanDerWaalsContact C-N 3.32Å; V269-V271 PolarHBondContact O-N 3.26Å; V269-S273 WeakPolarHBondContact O-CB 3.49Å; V269-S273 PolarHBondContact O-N 3.26Å |
| 270 | L | 94.8 | Very high | 92.1 | Very high | 131 Ų | 131 | 82.8 Ų | 82.8 | 69% | 0.686 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.9 | -36.4 | 177.8 | -76.5 | 170.4 | 0 | 0 | 0 | 113.2 | S266 I267 P274 | S266-L270 WeakPolarHBondContact O-CB 3.47Å; S266-L270 VanDerWaalsContact O-CG 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.38Å; S266-L270 PolarHBondContact O-N 3.34Å; I267-L270 PolarHBondContact O-N 2.78Å; L270-P274 WeakPolarHBondContact O-CD 3.17Å; L270-P274 WeakPolarHBondContact O-CG 3.29Å |
| 271 | V | 94.3 | Very high | 91.7 | Very high | 89 Ų | 89 | 84.3 Ų | 84.3 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -83.5 | -40.4 | -179.6 | 175.7 | 0 | 0 | 0 | 0 | 112 | I267 I268 V269 P274 | I267-V271 HydrophobicContact CG2-CG2 4.29Å; I267-V271 WeakPolarHBondContact O-CG2 3.44Å; I267-V271 PolarHBondContact O-N 2.97Å; I268-V271 PolarHBondContact O-N 2.84Å; V269-V271 VanDerWaalsContact C-N 3.32Å; V269-V271 PolarHBondContact O-N 3.26Å; V271-P274 WeakPolarHBondContact O-CD 3.39Å |
| 272 | T | 91.5 | Very high | 91.1 | Very high | 56 Ų | 56 | 83.7 Ų | 83.7 | 34% | 0.344 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.2 | -31.3 | -177.8 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | I268 L275 L276 | I268-T272 HydrophobicContact CG2-CG2 3.99Å; I268-T272 VanDerWaalsContact O-CB 3.27Å; I268-T272 WeakPolarHBondContact O-CB 3.39Å; I268-T272 VanDerWaalsContact O-CG2 3.25Å; I268-T272 WeakPolarHBondContact O-CG2 3.18Å; I268-T272 PolarHBondContact O-N 3.34Å; I268-T272 PolarHBondContact O-OG1 3.01Å; T272-L275 PolarHBondContact O-N 3.33Å; T272-L276 WeakPolarHBondContact O-CB 3.07Å; T272-L276 WeakPolarHBondContact O-CG 3.43Å; T272-L276 PolarHBondContact O-N 3.18Å |
| 273 | S | 92.9 | Very high | 90.5 | Very high | 55 Ų | 55 | 83 Ų | 83 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | -179.4 | 174.5 | 0 | 0 | 0 | 0 | 113 | V269 L275 L276 L277 | V269-S273 WeakPolarHBondContact O-CB 3.49Å; V269-S273 PolarHBondContact O-N 3.26Å; S273-L275 PolarHBondContact O-N 3.39Å; S273-L276 PolarHBondContact O-N 3.44Å; S273-L277 WeakPolarHBondContact O-CG 2.96Å; S273-L277 PolarHBondContact O-N 3.26Å |
| 274 | P | 92.8 | Very high | 89.8 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 174.2 | -24.8 | 33.5 | 0 | 0 | 0 | 114 | L270 V271 L277 L278 | L270-P274 WeakPolarHBondContact O-CD 3.17Å; L270-P274 WeakPolarHBondContact O-CG 3.29Å; V271-P274 WeakPolarHBondContact O-CD 3.39Å; P274-L277 PolarHBondContact O-N 2.79Å; P274-L278 WeakPolarHBondContact O-CG 3.38Å; P274-L278 PolarHBondContact O-N 2.72Å |
| 275 | L | 89.3 | Confident | 88.8 | Confident | 110 Ų | 110 | 86.8 Ų | 86.8 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -40.2 | 179.8 | -65.3 | 174 | 0 | 0 | 0 | 111.8 | T272 S273 L278 A279 | T272-L275 PolarHBondContact O-N 3.33Å; S273-L275 PolarHBondContact O-N 3.39Å; L275-L278 PolarHBondContact O-N 3.1Å; L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 2.74Å |
| 276 | L | 86.3 | Confident | 87.7 | Confident | 107 Ų | 107 | 87.5 Ų | 87.5 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 175.2 | -71.8 | 172.2 | 0 | 0 | 0 | 111.7 | T272 S273 A279 S280 | T272-L276 WeakPolarHBondContact O-CB 3.07Å; T272-L276 WeakPolarHBondContact O-CG 3.43Å; T272-L276 PolarHBondContact O-N 3.18Å; S273-L276 PolarHBondContact O-N 3.44Å; L276-A279 PolarHBondContact O-N 3.14Å; L276-S280 VanDerWaalsContact O-CB 3.31Å; L276-S280 WeakPolarHBondContact O-CB 3.49Å; L276-S280 PolarHBondContact O-N 3.1Å |
| 277 | L | 89 | Confident | 86.5 | Confident | 121 Ų | 121 | 91.7 Ų | 91.7 | 63% | 0.634 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 174.5 | -71.7 | 173.7 | 0 | 0 | 0 | 112.1 | S273 P274 S280 P281 | S273-L277 WeakPolarHBondContact O-CG 2.96Å; S273-L277 PolarHBondContact O-N 3.26Å; P274-L277 PolarHBondContact O-N 2.79Å; L277-S280 WeakPolarHBondContact O-CB 3.2Å; L277-S280 PolarHBondContact O-N 3.35Å; L277-P281 WeakPolarHBondContact O-CD 3.44Å |
| 278 | L | 89.7 | Confident | 85.1 | Confident | 134 Ų | 134 | 91.7 Ų | 91.7 | 70% | 0.702 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.2 | -35.2 | 175 | -71.3 | 170.6 | 0 | 0 | 0 | 112.7 | P274 L275 P281 | P274-L278 WeakPolarHBondContact O-CG 3.38Å; P274-L278 PolarHBondContact O-N 2.72Å; L275-L278 PolarHBondContact O-N 3.1Å; L278-P281 WeakPolarHBondContact O-CD 3.14Å |
| 279 | A | 85.3 | Confident | 83.5 | Confident | 37 Ų | 37 | 95.3 Ų | 95.3 | 31% | 0.306 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -79.5 | -19.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L275 L276 C282 I283 | L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 2.74Å; L276-A279 PolarHBondContact O-N 3.14Å; A279-C282 WeakPolarHBondContact O-CB 3.34Å; A279-C282 PolarHBondContact O-N 3.41Å; A279-I283 HydrophobicContact CB-CD1 3.8Å; A279-I283 HydrophobicContact CB-CG1 4.37Å; A279-I283 VanDerWaalsContact O-CG1 3.31Å; A279-I283 WeakPolarHBondContact O-CG1 3.15Å; A279-I283 PolarHBondContact O-N 3.13Å |
| 280 | S | 85.6 | Confident | 81.5 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 32% | 0.322 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -54.6 | -46.6 | -175.3 | 178.3 | 0 | 0 | 0 | 0 | 113.8 | L276 L277 C282 I283 L284 | L276-S280 VanDerWaalsContact O-CB 3.31Å; L276-S280 WeakPolarHBondContact O-CB 3.49Å; L276-S280 PolarHBondContact O-N 3.1Å; L277-S280 WeakPolarHBondContact O-CB 3.2Å; L277-S280 PolarHBondContact O-N 3.35Å; S280-C282 VanDerWaalsContact C-N 3.3Å; S280-C282 PolarHBondContact O-N 2.95Å; S280-I283 PolarHBondContact O-N 3.14Å; S280-L284 VanDerWaalsContact O-CB 3.23Å; S280-L284 WeakPolarHBondContact O-CB 3.37Å; S280-L284 WeakPolarHBondContact O-CD1 3.4Å; S280-L284 VanDerWaalsContact O-CG 3.25Å; S280-L284 WeakPolarHBondContact O-CG 3.27Å; S280-L284 PolarHBondContact O-N 3.19Å; S280-L284 WeakPolarHBondContact OG-CD1 3.44Å |
| 281 | P | 83.9 | Confident | 79.6 | Confident | 74 Ų | 74 | 97.1 Ų | 97.1 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -37 | 176 | -21.1 | 32.8 | 0 | 0 | 0 | 112.7 | L277 L278 C285 | L277-P281 WeakPolarHBondContact O-CD 3.44Å; L278-P281 WeakPolarHBondContact O-CD 3.14Å; P281-C285 WeakPolarHBondContact O-CB 3.28Å; P281-C285 PolarHBondContact O-N 3.39Å; P281-C285 PolarHBondContact O-SG 3.18Å |
| 282 | C | 81.3 | Confident | 77.3 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 57% | 0.568 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.7 | -43.3 | 178.2 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | A279 S280 C285 C286 | A279-C282 WeakPolarHBondContact O-CB 3.34Å; A279-C282 PolarHBondContact O-N 3.41Å; S280-C282 VanDerWaalsContact C-N 3.3Å; S280-C282 PolarHBondContact O-N 2.95Å; C282-C285 PolarHBondContact O-N 3.4Å; C282-C286 WeakPolarHBondContact O-CB 3.49Å; C282-C286 PolarHBondContact O-N 3.11Å; C282-C286 PolarHBondContact O-SG 3.23Å |
| 283 | I | 81.9 | Confident | 75.1 | Confident | 94 Ų | 94 | 106.7 Ų | 106.7 | 48% | 0.482 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.6 | -46.2 | 177 | -65.2 | 165.7 | 0 | 0 | 0 | 110.1 | A279 S280 C286 M287 | A279-I283 HydrophobicContact CB-CD1 3.8Å; A279-I283 HydrophobicContact CB-CG1 4.37Å; A279-I283 VanDerWaalsContact O-CG1 3.31Å; A279-I283 WeakPolarHBondContact O-CG1 3.15Å; A279-I283 PolarHBondContact O-N 3.13Å; S280-I283 PolarHBondContact O-N 3.14Å; I283-C286 PolarHBondContact O-N 3.4Å; I283-M287 WeakPolarHBondContact O-CB 3.27Å; I283-M287 VanDerWaalsContact O-CG 3.31Å; I283-M287 WeakPolarHBondContact O-CG 3.28Å; I283-M287 PolarHBondContact O-N 3.17Å |
| 284 | L | 80 | Confident | 72.6 | Confident | 101 Ų | 101 | 114 Ų | 114 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.1 | -41.4 | 175 | -72.4 | 164.7 | 0 | 0 | 0 | 111.4 | S280 M287 C288 | S280-L284 VanDerWaalsContact O-CB 3.23Å; S280-L284 WeakPolarHBondContact O-CB 3.37Å; S280-L284 WeakPolarHBondContact O-CD1 3.4Å; S280-L284 VanDerWaalsContact O-CG 3.25Å; S280-L284 WeakPolarHBondContact O-CG 3.27Å; S280-L284 PolarHBondContact O-N 3.19Å; S280-L284 WeakPolarHBondContact OG-CD1 3.44Å; L284-M287 PolarHBondContact O-N 3.13Å; L284-C288 WeakPolarHBondContact O-CB 3.42Å; L284-C288 PolarHBondContact O-N 2.98Å; L284-C288 PolarHBondContact O-SG 3.02Å |
| 285 | C | 74.3 | Confident | 70.2 | Confident | 84 Ų | 84 | 120.8 Ų | 120.8 | 57% | 0.568 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.8 | -36.8 | 176.3 | -73.8 | 0 | 0 | 0 | 0 | 113.3 | P281 C282 M287 C288 K289 | P281-C285 WeakPolarHBondContact O-CB 3.28Å; P281-C285 PolarHBondContact O-N 3.39Å; P281-C285 PolarHBondContact O-SG 3.18Å; C282-C285 PolarHBondContact O-N 3.4Å; C285-M287 VanDerWaalsContact C-N 3.32Å; C285-C288 PolarHBondContact O-N 3.15Å; C285-K289 PolarHBondContact O-N 2.65Å |
| 286 | C | 71.6 | Confident | 68.1 | Low | 98 Ų | 98 | 125.4 Ų | 125.4 | 66% | 0.662 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.1 | -30.9 | 173.9 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | C282 I283 | C282-C286 WeakPolarHBondContact O-CB 3.49Å; C282-C286 PolarHBondContact O-N 3.11Å; C282-C286 PolarHBondContact O-SG 3.23Å; I283-C286 PolarHBondContact O-N 3.4Å |
| 287 | M | 66.1 | Low | 66.1 | Low | 155 Ų | 155 | 130.2 Ų | 130.2 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81.7 | -23.1 | 173.1 | -68.5 | -66.9 | 100.3 | 0 | 0 | 113.1 | I283 L284 C285 | I283-M287 WeakPolarHBondContact O-CB 3.27Å; I283-M287 VanDerWaalsContact O-CG 3.31Å; I283-M287 WeakPolarHBondContact O-CG 3.28Å; I283-M287 PolarHBondContact O-N 3.17Å; L284-M287 PolarHBondContact O-N 3.13Å; C285-M287 VanDerWaalsContact C-N 3.32Å |
| 288 | C | 66.6 | Low | 63.6 | Low | 94 Ų | 94 | 134.4 Ų | 134.4 | 64% | 0.635 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -105 | 6.2 | -172.5 | -67.3 | 0 | 0 | 0 | 0 | 116.8 | L284 C285 | L284-C288 WeakPolarHBondContact O-CB 3.42Å; L284-C288 PolarHBondContact O-N 2.98Å; L284-C288 PolarHBondContact O-SG 3.02Å; C285-C288 PolarHBondContact O-N 3.15Å |
| 289 | K | 61.4 | Low | 61 | Low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -137.9 | 132.2 | 171.1 | -84.6 | -174.6 | 177.7 | 164.7 | 0 | 114.7 | C285 | C285-K289 PolarHBondContact O-N 2.65Š|
| 290 | P | 53.8 | Low | 58.7 | Low | 108 Ų | 108 | 148.5 Ų | 148.5 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | cis | -137.5 | 157.6 | -48.5 | 24.1 | -3.1 | 0 | 0 | 0 | 114.2 | S292 | P290-S292 PolarHBondContact O-N 2.75Š| ||
| 291 | C | 53.4 | Low | 56.3 | Low | 146 Ų | 146 | 155.8 Ų | 155.8 | 99% | 0.986 | 77% | 0.766 | S | S | * | * | trans | -58.8 | 66.9 | 162 | -64.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 292 | S | 46.8 | Very low | 53.9 | Low | 103 Ų | 103 | 164 Ų | 164 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -135.9 | 60.3 | 171.2 | -163.3 | 0 | 0 | 0 | 0 | 111.8 | P290 | P290-S292 PolarHBondContact O-N 2.75Š| ||
| 293 | R | 45.1 | Very low | 51.9 | Low | 242 Ų | 242 | 166.6 Ų | 166.6 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -157.4 | 41.4 | 168 | -128 | 177.3 | 178.7 | -169 | -0.2 | 116.6 | ||||
| 294 | K | 41.2 | Very low | 49.9 | Very low | 210 Ų | 210 | 168.2 Ų | 168.2 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -144.4 | 63.3 | 164.2 | -69 | -167.8 | -177.9 | 175 | 0 | 113.5 | ||||
| 295 | K | 42.5 | Very low | 47.7 | Very low | 208 Ų | 208 | 166.9 Ų | 166.9 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -127.3 | 76.8 | 152.7 | -81.5 | -169.4 | -178.2 | 177.5 | 0 | 109.3 | ||||
| 296 | K | 44.7 | Very low | 45.9 | Very low | 207 Ų | 207 | 171 Ų | 171 | 90% | 0.9 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -167 | 130.9 | 153.5 | -108.2 | 169.7 | -171 | -178.2 | 0 | 109.3 | ||
| 297 | K | 43.4 | Very low | 44.5 | Very low | 208 Ų | 208 | 171.5 Ų | 171.5 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | 89.1 | 82.5 | 174 | -60.1 | -177.3 | 174.6 | 179.1 | 0 | 117.6 | ||||
| 298 | K | 37.3 | Very low | 43.4 | Very low | 208 Ų | 208 | 173.2 Ų | 173.2 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | -172.2 | 100.8 | 125.4 | -118.6 | -179.7 | 177.9 | 178.6 | 0 | 112 | |||||
| 299 | K | 35.1 | Very low | 42.3 | Very low | 216 Ų | 216 | 174.2 Ų | 174.2 | 94% | 0.939 | 85% | 0.852 | S | S | * | * | trans | -170.2 | 83.8 | 133.1 | -120.8 | 179.3 | 176.9 | 179.4 | 0 | 110.1 | ||||
| 300 | R | 37.2 | Very low | 41.8 | Very low | 252 Ų | 252 | 171.1 Ų | 171.1 | 95% | 0.951 | 85% | 0.85 | S | S | * | * | trans | -112 | 110.1 | 148.3 | -102.4 | -169.6 | 176.2 | -164 | -0.4 | 105.7 | ||||
| 301 | K | 34.5 | Very low | 41.1 | Very low | 199 Ų | 199 | 171.4 Ų | 171.4 | 87% | 0.865 | 86% | 0.855 | S | S | * | * | trans | -167.9 | 101.7 | 145.2 | -112.7 | -169.5 | 175.2 | -166.6 | 0 | 106.4 | ||||
| 302 | R | 33.8 | Very low | 40.4 | Very low | 245 Ų | 245 | 170.3 Ų | 170.3 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | trans | -121.4 | 113 | 161.9 | -175.3 | 167.3 | -174.4 | 169.7 | 0.6 | 104.4 | ||||
| 303 | D | 39.5 | Very low | 40.1 | Very low | 140 Ų | 140 | 170.6 Ų | 170.6 | 75% | 0.749 | 85% | 0.851 | S | S | * | * | trans | -66 | 143.8 | 171 | -76.7 | -57.1 | 0 | 0 | 0 | 110.3 | ||||
| 304 | P | 39.9 | Very low | 39.8 | Very low | 127 Ų | 127 | 164.4 Ų | 164.4 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | -114.8 | 135.4 | 161.1 | 34.4 | -21.6 | 0 | 0 | 0 | 111.8 | ||||
| 305 | G | 34.1 | Very low | 39.7 | Very low | 74 Ų | 74 | 163.8 Ų | 163.8 | 76% | 0.763 | 87% | 0.867 | S | S | * | * | trans | 169.1 | 89.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 306 | L | 35.2 | Very low | 39.5 | Very low | 170 Ų | 170 | 161.6 Ų | 161.6 | 89% | 0.89 | 87% | 0.865 | S | S | * | * | 112 | 157.3 | 91 | -165 | 73 | 0 | 0 | 0 | 107.3 | |||||
| 307 | P | 43.1 | Very low | 39.3 | Very low | 108 Ų | 108 | 159.2 Ų | 159.2 | 70% | 0.701 | 86% | 0.863 | S | S | * | * | cis | -117.6 | 170.2 | -13.3 | 11.2 | 14.2 | 0 | 0 | 0 | 114.2 | ||||
| 308 | E | 42.2 | Very low | 39 | Very low | 192 Ų | 192 | 156.5 Ų | 156.5 | 90% | 0.897 | 86% | 0.861 | S | S | * | * | trans | -77.2 | 154.5 | 164.6 | -69.7 | -157.2 | 128.1 | 0 | 0 | 113.3 | ||||
| 309 | P | 43.6 | Very low | 39.1 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 75% | 0.747 | 86% | 0.858 | S | S | * | * | trans | -109.2 | 159.8 | 152.9 | 36.8 | -25.8 | 0 | 0 | 0 | 112.2 | ||||
| 310 | P | 50.7 | Low | 39.4 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | trans | -91.6 | 149.8 | -161.1 | 35.9 | -34.3 | 0 | 0 | 0 | 114.8 | ||||
| 311 | S | 41.1 | Very low | 39.5 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 85% | 0.846 | S | S | * | * | trans | 27.9 | 125.1 | 145.2 | 64.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 312 | S | 37.9 | Very low | 39.9 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | trans | -146.9 | 112 | 138.3 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 313 | S | 40.6 | Very low | 40.4 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -76.6 | 145.5 | 159.2 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 314 | S | 38.2 | Very low | 40.4 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 85% | 0.846 | S | S | * | * | trans | 151.2 | 132.8 | 130.8 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 315 | S | 38.9 | Very low | 40.5 | Very low | 198 Ų | 198 | 130 Ų | 130 | 100% | 1.385 | 85% | 0.848 | S | S | * | * | trans | 61.7 | 0 | 148.5 | -60.8 | 0 | 0 | 0 | 0 | 120.4 |
Retrieved 315 of 315 residues in 355.4 ms
(Link to these results)