| 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 | 44.3 | Very low | 42.8 | Very low | 231 Ų | 231 | 151.7 Ų | 151.7 | 100% | 1.138 | 84% | 0.84 | S | S | * | * | 0 | 143.6 | 0 | -58.1 | 178.2 | -172.4 | 0 | 0 | 108 | |||||
| 2 | H | 37.1 | Very low | 42.9 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 90% | 0.903 | 82% | 0.823 | S | S | * | * | trans | 173.5 | 111.9 | 147.6 | -93.6 | -61.4 | 0 | 0 | 0 | 107.2 | ||||
| 3 | F | 37.6 | Very low | 43.4 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -89.8 | 135.8 | 175.4 | -75.9 | -89.3 | 0 | 0 | 0 | 109.8 | T5 | F3-T5 PolarHBondContact O-N 3.16Š| ||
| 4 | L | 43 | Very low | 43.6 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -81.5 | 110.3 | 172.6 | -80.9 | 163.8 | 0 | 0 | 0 | 109.9 | N6 | L4-N6 PolarHBondContact O-N 2.71Š| ||
| 5 | T | 45.5 | Very low | 44.3 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -80.1 | 98.7 | 173.4 | 35.3 | 0 | 0 | 0 | 0 | 110.7 | F3 M7 | F3-T5 PolarHBondContact O-N 3.16Å; T5-M7 PolarHBondContact O-N 2.89Å; T5-M7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | N | 43.2 | Very low | 44.8 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -63.6 | 113.2 | 168.7 | -84.2 | -14.3 | 0 | 0 | 0 | 110.2 | L4 A8 | L4-N6 PolarHBondContact O-N 2.71Å; N6-A8 PolarHBondContact O-N 3.01Å | ||
| 7 | M | 40.6 | Very low | 45.2 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 87.9 | 174.5 | -72.5 | -67.8 | 171.5 | 0 | 0 | 110.4 | T5 A9 | T5-M7 PolarHBondContact O-N 2.89Å; T5-M7 VanDerWaalsContact O-N 3.15Å; M7-A9 PolarHBondContact O-N 2.91Å | ||
| 8 | A | 42.1 | Very low | 45.5 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -67.2 | 124.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | N6 | N6-A8 PolarHBondContact O-N 3.01Š| ||
| 9 | A | 46 | Very low | 46 | Very low | 83 Ų | 83 | 148.8 Ų | 148.8 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | -65.7 | 137.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | M7 V11 | M7-A9 PolarHBondContact O-N 2.91Å; A9-V11 PolarHBondContact O-N 3.25Å | ||
| 10 | P | 44.1 | Very low | 46.7 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 101.7 | -175.9 | 28.2 | -34.2 | 0 | 0 | 0 | 111.2 | N12 | P10-N12 PolarHBondContact O-N 3.01Š| ||
| 11 | V | 47.8 | Very low | 47.5 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | trans | -72.3 | 76.5 | 169.9 | -175.7 | 0 | 0 | 0 | 0 | 109 | A9 N13 | A9-V11 PolarHBondContact O-N 3.25Å; V11-N13 PolarHBondContact O-N 3.14Å | ||
| 12 | N | 43.6 | Very low | 48.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | trans | -81.6 | 58.5 | -175.7 | -164.1 | 17.1 | 0 | 0 | 0 | 111.9 | P10 R14 | P10-N12 PolarHBondContact O-N 3.01Å; N12-R14 PolarHBondContact O-N 3.14Å | ||
| 13 | N | 49.8 | Very low | 50.9 | Low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | -73.2 | 75.2 | 173.4 | -89.1 | 3.9 | 0 | 0 | 0 | 110.6 | V11 | V11-N13 PolarHBondContact O-N 3.14Š| ||
| 14 | R | 45.7 | Very low | 53.1 | Low | 178 Ų | 178 | 129.4 Ų | 129.4 | 67% | 0.672 | 70% | 0.698 | S | S | * | * | trans | -87.5 | 112.5 | 157.6 | -73.6 | -170.5 | 172.2 | -160.8 | -3.5 | 109 | N12 D16 R19 | N12-R14 PolarHBondContact O-N 3.14Å; R14-D16 PolarHBondContact O-N 2.64Å; R14-R19 PolarHBondContact O-NH2 3.35Å | ||
| 15 | S | 53.9 | Low | 55.1 | Low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | trans | -78.3 | 70.5 | 173 | 55.9 | 0 | 0 | 0 | 0 | 110 | C17 | S15-C17 PolarHBondContact O-N 3.03Å; S15-C17 VanDerWaalsContact O-N 3.16Å | ||
| 16 | D | 52.2 | Low | 57 | Low | 84 Ų | 84 | 125.9 Ų | 125.9 | 45% | 0.449 | 67% | 0.666 | S | S | . | * | trans | -67 | 111.9 | 175.3 | -48.3 | -61.8 | 0 | 0 | 0 | 108.6 | R14 W18 R19 | R14-D16 PolarHBondContact O-N 2.64Å; D16-W18 PolarHBondContact O-N 3.26Å; D16-R19 WeakPolarHBondContact O-CB 3.4Å; D16-R19 PolarHBondContact O-N 2.76Å; D16-R19 IonicContact OD2-CZ 2.71Å; D16-R19 IonicContact OD2-NE 3.96Å; D16-R19 IonicContact OD2-NH2 3.23Å; D16-R19 PolarHBondContact OD2-NH2 3.44Å | ||
| 17 | C | 51.9 | Low | 59.2 | Low | 115 Ų | 115 | 118.6 Ų | 118.6 | 78% | 0.777 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 2.6 | -174.9 | 51.5 | 0 | 0 | 0 | 0 | 115.3 | S15 | S15-C17 PolarHBondContact O-N 3.03Å; S15-C17 VanDerWaalsContact O-N 3.16Å |
| 18 | W | 50.5 | Low | 61.5 | Low | 233 Ų | 233 | 115.2 Ų | 115.2 | 88% | 0.883 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 11.1 | 177 | -59.7 | 104.3 | 0 | 0 | 0 | 113 | D16 V20 | D16-W18 PolarHBondContact O-N 3.26Å; W18-V20 PolarHBondContact O-N 2.98Å; W18-V20 VanDerWaalsContact O-N 3.14Å |
| 19 | R | 56.1 | Low | 63.7 | Low | 156 Ų | 156 | 116.7 Ų | 116.7 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | trans | -71.5 | 108.3 | 177 | -170.2 | 175.7 | -62.3 | -156.2 | 4.5 | 109.6 | R14 D16 | R14-R19 PolarHBondContact O-NH2 3.35Å; D16-R19 WeakPolarHBondContact O-CB 3.4Å; D16-R19 PolarHBondContact O-N 2.76Å; D16-R19 IonicContact OD2-CZ 2.71Å; D16-R19 IonicContact OD2-NE 3.96Å; D16-R19 IonicContact OD2-NH2 3.23Å; D16-R19 PolarHBondContact OD2-NH2 3.44Å | ||
| 20 | V | 59.3 | Low | 65.8 | Low | 111 Ų | 111 | 117.1 Ų | 117.1 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | trans | -48.5 | 129.1 | 172.5 | 180 | 0 | 0 | 0 | 0 | 109.2 | W18 E22 | W18-V20 PolarHBondContact O-N 2.98Å; W18-V20 VanDerWaalsContact O-N 3.14Å; V20-E22 PolarHBondContact O-N 2.92Å | ||
| 21 | P | 63.4 | Low | 68 | Low | 74 Ų | 74 | 122.6 Ų | 122.6 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | trans | -53.2 | 121.6 | -179.6 | -31.3 | 38.9 | 0 | 0 | 0 | 111.7 | V23 E92 | P21-V23 PolarHBondContact O-N 3.02Å; P21-E92 WeakPolarHBondContact CG-O 3.42Å | ||
| 22 | E | 71.8 | Confident | 70 | Confident | 156 Ų | 156 | 120.1 Ų | 120.1 | 73% | 0.729 | 58% | 0.578 | S | S | * | * | trans | -70.4 | 105 | -173.2 | -169.2 | 175.3 | 163.6 | 0 | 0 | 110 | V20 Y24 | V20-E22 PolarHBondContact O-N 2.92Å; E22-Y24 PolarHBondContact O-N 3.18Å | ||
| 23 | V | 80.3 | Confident | 72 | Confident | 47 Ų | 47 | 116.1 Ų | 116.1 | 29% | 0.285 | 56% | 0.559 | S | S | . | * | trans | -56.5 | 110.5 | 175.3 | 165.4 | 0 | 0 | 0 | 0 | 109.4 | P21 K25 E28 Y93 P94 | P21-V23 PolarHBondContact O-N 3.02Å; V23-K25 PolarHBondContact O-N 3Å; V23-E28 HydrophobicContact CG1-CG 3.82Å; V23-Y93 WeakPolarHBondContact CG1-OH 3.47Å; V23-Y93 HydrophobicContact CG2-CE1 4.19Å; V23-P94 HydrophobicContact CG2-CG 3.43Å; V23-P94 VanDerWaalsContact CG2-CG 3.43Å | ||
| 24 | Y | 84.4 | Confident | 73.8 | Confident | 130 Ų | 130 | 116.3 Ų | 116.3 | 51% | 0.51 | 56% | 0.558 | S | S | . | * | trans | -59.7 | 125.9 | 174.5 | -65.9 | -89.2 | 0 | 0 | 0 | 109.4 | E22 H26 H27 E136 | E22-Y24 PolarHBondContact O-N 3.18Å; Y24-H26 PolarHBondContact O-N 3.03Å; Y24-H27 AromaticContact CD2-CE1 3.51Å; Y24-H27 AromaticContact CD2-ND1 3.96Å; Y24-H27 WeakPolarHBondContact O-CB 3.29Å; Y24-H27 PolarHBondContact O-N 2.9Å; Y24-E136 HydrophobicContact CE1-CG 4.29Å; Y24-E136 HydrophobicContact CE2-CG 4.13Å | ||
| 25 | K | 85.6 | Confident | 75.8 | Confident | 165 Ų | 165 | 113.2 Ų | 113.2 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -8.7 | -177.9 | -62.6 | 172.7 | -177.5 | 169.9 | 0 | 115.4 | V23 | V23-K25 PolarHBondContact O-N 3Š|
| 26 | H | 85.4 | Confident | 77.4 | Confident | 48 Ų | 48 | 111.5 Ų | 111.5 | 22% | 0.222 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -10.6 | 176.1 | 86.3 | -86 | 0 | 0 | 0 | 113.2 | Y24 K49 Y133 E136 | Y24-H26 PolarHBondContact O-N 3.03Å; H26-K49 PolarHBondContact O-NZ 3.24Å; H26-Y133 PolarHBondContact NE2-O 3.17Å; H26-E136 IonicContact CE1-OE1 3.93Å; H26-E136 PolarHBondContact CE1-OE1 3.47Å; H26-E136 IonicContact CE1-OE2 3.51Å; H26-E136 IonicContact NE2-OE1 3Å; H26-E136 IonicContact NE2-OE2 2.73Å |
| 27 | H | 89.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 110.5 Ų | 110.5 | 1% | 0.014 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -37.3 | 166 | -60.6 | 165.9 | 0 | 0 | 0 | 111.1 | Y24 M61 Y93 H130 V134 E136 | Y24-H27 AromaticContact CD2-CE1 3.51Å; Y24-H27 AromaticContact CD2-ND1 3.96Å; Y24-H27 WeakPolarHBondContact O-CB 3.29Å; Y24-H27 PolarHBondContact O-N 2.9Å; H27-M61 HydrophobicContact CB-CE 3.74Å; H27-M61 WeakPolarHBondContact ND1-CE 3.35Å; H27-Y93 WeakPolarHBondContact CB-OH 3.28Å; H27-Y93 AromaticContact ND1-CE2 3.47Å; H27-Y93 WeakPolarHBondContact ND1-CE2 3.08Å; H27-Y93 AromaticContact ND1-CZ 3.55Å; H27-Y93 PolarHBondContact ND1-OH 3.43Å; H27-H130 PolarHBondContact O-NE2 2.72Å; H27-V134 WeakPolarHBondContact NE2-CG1 3.03Å; H27-E136 IonicContact NE2-OE2 2.96Å |
| 28 | E | 88.5 | Confident | 81 | Confident | 103 Ų | 103 | 113.5 Ų | 113.5 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -51.4 | 144.1 | 179.9 | -63.1 | 178.5 | -178.8 | 0 | 0 | 113.8 | V23 Q30 | V23-E28 HydrophobicContact CG1-CG 3.82Å; E28-Q30 PolarHBondContact O-N 3.46Å |
| 29 | Q | 88.8 | Confident | 83 | Confident | 125 Ų | 125 | 110.9 Ų | 110.9 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | trans | -77.4 | 112.2 | 172.9 | -167.6 | 177.1 | 83.9 | 0 | 0 | 110.6 | H130 | Q29-H130 PolarHBondContact NE2-ND1 3.16Š| ||
| 30 | Q | 89.4 | Confident | 84.5 | Confident | 92 Ų | 92 | 111.4 Ų | 111.4 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -73 | 137.8 | -178.9 | -70.2 | -178.6 | -28.1 | 0 | 0 | 112 | E28 A47 | E28-Q30 PolarHBondContact O-N 3.46Å; Q30-A47 HydrophobicContact CB-CB 3.75Å |
| 31 | R | 90.1 | Very high | 85.7 | Confident | 237 Ų | 237 | 111.4 Ų | 111.4 | 89% | 0.894 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 145.5 | 175.6 | -64.1 | -175.7 | -179.1 | -173.2 | -0.1 | 111.7 | C33 | R31-C33 PolarHBondContact O-N 2.8Š|
| 32 | V | 89.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -55 | 132.6 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | I34 A45 | V32-I34 PolarHBondContact O-N 3.16Å; V32-I34 VanDerWaalsContact O-N 3.12Å; V32-A45 HydrophobicContact CG1-CB 3.68Å |
| 33 | C | 85.8 | Confident | 87.6 | Confident | 36 Ų | 36 | 115.8 Ų | 115.8 | 24% | 0.243 | 54% | 0.539 | C | S | . | . | trans | -79.6 | 97.7 | 178.4 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | R31 S35 R36 V48 | R31-C33 PolarHBondContact O-N 2.8Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-R36 HydrophobicContact CB-CG 4.42Å; C33-V48 HydrophobicContact CB-CG2 4.11Å; C33-V48 PolarHBondContact SG-N 2.95Å | ||
| 34 | I | 87.6 | Confident | 87.9 | Confident | 155 Ų | 155 | 120 Ų | 120 | 80% | 0.795 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -22.8 | 176.7 | -55.6 | 171 | 0 | 0 | 0 | 111.9 | V32 R36 | V32-I34 PolarHBondContact O-N 3.16Å; V32-I34 VanDerWaalsContact O-N 3.12Å; I34-R36 PolarHBondContact O-N 2.7Å |
| 35 | S | 88.9 | Confident | 88.1 | Confident | 112 Ų | 112 | 117.2 Ų | 117.2 | 78% | 0.783 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 9.9 | -177.3 | 54.5 | 0 | 0 | 0 | 0 | 115.8 | C33 | C33-S35 VanDerWaalsContact C-N 3.29Š|
| 36 | R | 86.1 | Confident | 88.2 | Confident | 85 Ų | 85 | 112.6 Ų | 112.6 | 32% | 0.321 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -75.8 | 136 | 178.6 | -66.2 | 178.1 | -172.7 | -106.2 | 6.9 | 110.2 | C33 I34 E41 K46 A47 | C33-R36 HydrophobicContact CB-CG 4.42Å; I34-R36 PolarHBondContact O-N 2.7Å; R36-E41 HydrophobicContact CB-CG 4.29Å; R36-K46 PolarHBondContact NE-O 2.77Å; R36-K46 PolarHBondContact NH2-O 2.88Å; R36-A47 PolarHBondContact NH2-O 3.37Å |
| 37 | P | 90 | Very high | 88.4 | Confident | 64 Ų | 64 | 111.7 Ų | 111.7 | 42% | 0.416 | 54% | 0.539 | S | S | . | . | trans | -64.7 | 143 | 168.3 | -21.7 | 33.4 | 0 | 0 | 0 | 111.5 | Y39 R40 E41 | P37-Y39 HydrophobicContact CB-CD1 3.73Å; P37-Y39 HydrophobicContact CB-CE1 3.46Å; P37-Y39 VanDerWaalsContact CB-CE1 3.46Å; P37-Y39 HydrophobicContact CG-CE1 4.18Å; P37-Y39 PolarHBondContact O-N 3.41Å; P37-R40 CarbonylContact O-C 3.58Å; P37-R40 WeakPolarHBondContact O-CA 3.35Å; P37-R40 PolarHBondContact O-N 3.43Å; P37-E41 PolarHBondContact O-N 2.93Å | ||
| 38 | K | 90.4 | Very high | 88.3 | Confident | 177 Ų | 177 | 115.6 Ų | 115.6 | 77% | 0.77 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -53.1 | -31.2 | -175.8 | -167.1 | 170.4 | -175.5 | 174.4 | 0 | 116.1 | R40 E41 | K38-R40 PolarHBondContact O-N 3.01Å; K38-E41 VanDerWaalsContact CA-OE1 3.26Å; K38-E41 WeakPolarHBondContact CA-OE1 3.25Å; K38-E41 PolarHBondContact O-N 3.22Å |
| 39 | Y | 92.3 | Very high | 88.4 | Confident | 179 Ų | 179 | 113.5 Ų | 113.5 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -77.3 | -6 | 176 | 76.4 | -88.8 | 0 | 0 | 0 | 114.2 | P37 | P37-Y39 HydrophobicContact CB-CD1 3.73Å; P37-Y39 HydrophobicContact CB-CE1 3.46Å; P37-Y39 VanDerWaalsContact CB-CE1 3.46Å; P37-Y39 HydrophobicContact CG-CE1 4.18Å; P37-Y39 PolarHBondContact O-N 3.41Å |
| 40 | R | 86.6 | Confident | 88.4 | Confident | 167 Ų | 167 | 112.9 Ų | 112.9 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -118.8 | 7.8 | 173.6 | -56.9 | -168.8 | -178.7 | -158.4 | -2.9 | 112.9 | P37 K38 | P37-R40 CarbonylContact O-C 3.58Å; P37-R40 WeakPolarHBondContact O-CA 3.35Å; P37-R40 PolarHBondContact O-N 3.43Å; K38-R40 PolarHBondContact O-N 3.01Å |
| 41 | E | 86.2 | Confident | 88.5 | Confident | 111 Ų | 111 | 111.7 Ų | 111.7 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | trans | -69.9 | 132.9 | 171.3 | -76.3 | 168.2 | -151.3 | 0 | 0 | 109.8 | R36 P37 K38 | R36-E41 HydrophobicContact CB-CG 4.29Å; P37-E41 PolarHBondContact O-N 2.93Å; K38-E41 VanDerWaalsContact CA-OE1 3.26Å; K38-E41 WeakPolarHBondContact CA-OE1 3.25Å; K38-E41 PolarHBondContact O-N 3.22Å | ||
| 42 | G | 85.6 | Confident | 88.6 | Confident | 54 Ų | 54 | 103.9 Ų | 103.9 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | trans | -89.2 | 160.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K44 | G42-K44 PolarHBondContact O-N 2.91Å; G42-K44 VanDerWaalsContact O-N 3.12Å | ||
| 43 | R | 88.2 | Confident | 88.6 | Confident | 267 Ų | 267 | 102.6 Ų | 102.6 | 100% | 1.008 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -59.4 | -21.6 | 175.1 | -64.7 | -173.8 | -177.5 | -172.9 | 1.1 | 114.1 | ||
| 44 | K | 87.4 | Confident | 88.8 | Confident | 135 Ų | 135 | 106.3 Ų | 106.3 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -114.2 | 131.6 | 168.8 | -71.2 | -167.6 | 170.5 | -162.9 | 0 | 108.3 | G42 K46 | G42-K44 PolarHBondContact O-N 2.91Å; G42-K44 VanDerWaalsContact O-N 3.12Å; K44-K46 HydrophobicContact CB-CG 4.42Å; K44-K46 PolarHBondContact O-N 2.55Å |
| 45 | A | 88 | Confident | 89 | Confident | 73 Ų | 73 | 102.5 Ų | 102.5 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | trans | -75.5 | 116.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | V32 | V32-A45 HydrophobicContact CG1-CB 3.68Š| ||
| 46 | K | 87.9 | Confident | 89.2 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 30% | 0.296 | 48% | 0.481 | S | S | . | . | trans | -134.3 | 149 | -173.4 | -77.1 | -174.6 | 167.3 | -78.5 | 0 | 112.1 | R36 K44 E121 | R36-K46 PolarHBondContact NE-O 2.77Å; R36-K46 PolarHBondContact NH2-O 2.88Å; K44-K46 HydrophobicContact CB-CG 4.42Å; K44-K46 PolarHBondContact O-N 2.55Å; K46-E121 VanDerWaalsContact CE-OE2 3.23Å; K46-E121 WeakPolarHBondContact CE-OE2 3.3Å; K46-E121 IonicContact NZ-OE1 2.68Å; K46-E121 PolarHBondContact NZ-OE1 2.87Å; K46-E121 IonicContact NZ-OE2 3.59Å; K46-E121 PolarHBondContact NZ-OE2 2.91Å | ||
| 47 | A | 89.5 | Confident | 89.6 | Confident | 29 Ų | 29 | 93.7 Ų | 93.7 | 24% | 0.24 | 47% | 0.466 | C | S | . | . | trans | -59.5 | 165.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q30 R36 | Q30-A47 HydrophobicContact CB-CB 3.75Å; R36-A47 PolarHBondContact NH2-O 3.37Å | ||
| 48 | V | 87.3 | Confident | 89.8 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 52% | 0.515 | 45% | 0.45 | S | S | . | . | trans | -105.5 | 105.2 | 170.3 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | C33 | C33-V48 HydrophobicContact CB-CG2 4.11Å; C33-V48 PolarHBondContact SG-N 2.95Å | ||
| 49 | K | 89.6 | Confident | 90.1 | Very high | 58 Ų | 58 | 83.9 Ų | 83.9 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | trans | -124.2 | 128.2 | 176.3 | -164.8 | 159.7 | 171.9 | -179.3 | 0 | 108.9 | H26 Y51 | H26-K49 PolarHBondContact O-NZ 3.24Å; K49-Y51 HydrophobicContact CB-CE2 4.3Å; K49-Y51 HydrophobicContact CD-CE1 4.3Å; K49-Y51 VanDerWaalsContact CD-OH 3.27Å; K49-Y51 WeakPolarHBondContact CD-OH 3.45Å; K49-Y51 WeakPolarHBondContact CE-OH 3.46Å; K49-Y51 HydrophobicContact CG-CE1 4.19Å; K49-Y51 HydrophobicContact CG-CE2 4.12Å | ||
| 50 | V | 89.8 | Confident | 90.2 | Very high | 113 Ų | 113 | 75.4 Ų | 75.4 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | trans | -104.1 | 125.5 | -178.9 | 179 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 51 | Y | 91.2 | Very high | 90.6 | Very high | 67 Ų | 67 | 67.5 Ų | 67.5 | 26% | 0.263 | 35% | 0.353 | S | S | . | . | trans | -106.5 | 123.1 | 173.2 | -57.9 | -80.5 | 0 | 0 | 0 | 108.8 | K49 L55 K116 Y133 | K49-Y51 HydrophobicContact CB-CE2 4.3Å; K49-Y51 HydrophobicContact CD-CE1 4.3Å; K49-Y51 VanDerWaalsContact CD-OH 3.27Å; K49-Y51 WeakPolarHBondContact CD-OH 3.45Å; K49-Y51 WeakPolarHBondContact CE-OH 3.46Å; K49-Y51 HydrophobicContact CG-CE1 4.19Å; K49-Y51 HydrophobicContact CG-CE2 4.12Å; Y51-L55 HydrophobicContact CD1-CB 4.46Å; Y51-K116 VanDerWaalsContact OH-CE 3.29Å; Y51-K116 WeakPolarHBondContact OH-CE 3.26Å; Y51-Y133 AromaticContact CD1-CD2 3.52Å; Y51-Y133 HydrophobicContact CD1-CD2 3.52Å; Y51-Y133 AromaticContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD2-CE2 4.35Å; Y51-Y133 AromaticContact CE1-CD2 3.53Å; Y51-Y133 HydrophobicContact CE1-CD2 3.53Å; Y51-Y133 AromaticContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE2-CE2 4.5Å; Y51-Y133 HydrophobicContact CG-CD2 4.19Å; Y51-Y133 HydrophobicContact CG-CE2 4.01Å | ||
| 52 | T | 91.9 | Very high | 91.1 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | trans | -86.3 | 169.3 | 165.4 | 66 | 0 | 0 | 0 | 0 | 109 | N54 L55 E56 | T52-N54 PolarHBondContact O-N 2.96Å; T52-N54 VanDerWaalsContact O-N 3.13Å; T52-L55 HydrophobicContact CG2-CD1 4.39Å; T52-L55 PolarHBondContact O-N 3.31Å; T52-L55 WeakPolarHBondContact OG1-CG 3.49Å; T52-L55 PolarHBondContact OG1-N 3.31Å; T52-E56 PolarHBondContact O-N 2.8Å; T52-E56 VanDerWaalsContact O-N 3.1Å | ||
| 53 | I | 89.9 | Confident | 91.5 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.7 | 176.2 | -62.1 | 145.5 | 0 | 0 | 0 | 110.9 | K146 L147 R150 | I53-K146 WeakPolarHBondContact O-CE 3.12Å; I53-K146 PolarHBondContact O-NZ 3.44Å; I53-L147 HydrophobicContact CG2-CD2 4.17Å; I53-R150 HydrophobicContact CD1-CG 3.76Å; I53-R150 HydrophobicContact CG1-CG 4.06Å; I53-R150 HydrophobicContact CG2-CB 4.5Å; I53-R150 HydrophobicContact CG2-CG 4.35Å |
| 54 | N | 91.3 | Very high | 91.7 | Very high | 113 Ų | 113 | 49.4 Ų | 49.4 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -34 | -178.2 | -59.9 | 17.6 | 0 | 0 | 0 | 112.4 | T52 K146 | T52-N54 PolarHBondContact O-N 2.96Å; T52-N54 VanDerWaalsContact O-N 3.13Å; N54-K146 PolarHBondContact O-NZ 3.12Å |
| 55 | L | 91.8 | Very high | 92 | Very high | 76 Ų | 76 | 43 Ų | 43 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -13.6 | -177.6 | -65.1 | 172.4 | 0 | 0 | 0 | 114.3 | Y51 T52 Y133 | Y51-L55 HydrophobicContact CD1-CB 4.46Å; T52-L55 HydrophobicContact CG2-CD1 4.39Å; T52-L55 PolarHBondContact O-N 3.31Å; T52-L55 WeakPolarHBondContact OG1-CG 3.49Å; T52-L55 PolarHBondContact OG1-N 3.31Å; L55-Y133 VanDerWaalsContact O-CB 3.26Å; L55-Y133 WeakPolarHBondContact O-CB 3.19Å |
| 56 | E | 92.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | trans | -81.4 | 147.7 | 162.9 | -60.5 | -178.3 | 129.8 | 0 | 0 | 108.8 | T52 L109 R113 Y133 K146 | T52-E56 PolarHBondContact O-N 2.8Å; T52-E56 VanDerWaalsContact O-N 3.1Å; E56-L109 HydrophobicContact CB-CD1 4.33Å; E56-R113 VanDerWaalsContact CD-NE 3.27Å; E56-R113 IonicContact OE1-CZ 3.51Å; E56-R113 IonicContact OE1-NE 2.65Å; E56-R113 PolarHBondContact OE1-NE 3.5Å; E56-R113 IonicContact OE1-NH2 3.73Å; E56-R113 IonicContact OE2-CZ 3.9Å; E56-R113 VanDerWaalsContact OE2-CZ 3.25Å; E56-R113 IonicContact OE2-NE 3.33Å; E56-R113 PolarHBondContact OE2-NE 2.93Å; E56-R113 IonicContact OE2-NH2 3.79Å; E56-R113 PolarHBondContact OE2-NH2 3.48Å; E56-Y133 HydrophobicContact CB-CD2 4.5Å; E56-Y133 HydrophobicContact CB-CE1 4.36Å; E56-Y133 HydrophobicContact CB-CE2 4.25Å; E56-Y133 HydrophobicContact CG-CE2 3.97Å; E56-K146 WeakPolarHBondContact O-CE 3.48Å; E56-K146 PolarHBondContact O-NZ 3.29Å | ||
| 57 | S | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -141.6 | 159.3 | 178.9 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | Y59 L109 A112 Y133 V134 E138 | S57-Y59 PolarHBondContact OG-O 2.76Å; S57-L109 VanDerWaalsContact C-CD1 3.44Å; S57-A112 WeakPolarHBondContact O-CB 3.46Å; S57-Y133 WeakPolarHBondContact OG-CA 3.29Å; S57-Y133 VanDerWaalsContact OG-CB 3.31Å; S57-Y133 WeakPolarHBondContact OG-CB 3.46Å; S57-V134 PolarHBondContact OG-N 3.49Å; S57-E138 WeakPolarHBondContact CA-OE1 3.26Å; S57-E138 WeakPolarHBondContact CB-OE1 3.41Å | ||
| 58 | R | 94 | Very high | 92.5 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -66.7 | -28.3 | 168.4 | -71.1 | -175.4 | 59.6 | -167.4 | -6.4 | 112.8 | E85 F106 Q107 E138 D142 | R58-E85 IonicContact CZ-OE2 3.25Å; R58-E85 IonicContact NH1-OE2 2.67Å; R58-E85 IonicContact NH2-OE2 3.84Å; R58-E85 PolarHBondContact NH2-OE2 3.25Å; R58-F106 PolarHBondContact NE-O 2.85Å; R58-F106 PolarHBondContact NH2-O 2.79Å; R58-F106 PolarHBondContact O-N 2.96Å; R58-Q107 VanDerWaalsContact NH2-CA 3.29Å; R58-Q107 PolarHBondContact NH2-O 2.92Å; R58-E138 PolarHBondContact N-OE1 3.39Å; R58-D142 VanDerWaalsContact CD-OD1 3.3Å; R58-D142 WeakPolarHBondContact CD-OD1 3.36Å; R58-D142 IonicContact CZ-OD1 2.68Å; R58-D142 IonicContact NE-OD1 2.69Å; R58-D142 IonicContact NH1-OD1 3.13Å; R58-D142 PolarHBondContact NH1-OD1 3Å |
| 59 | Y | 95.8 | Very high | 92.6 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.9 | 176.5 | -62.7 | -105.2 | 0 | 0 | 0 | 109.7 | S57 L103 V104 K105 Y137 E138 | S57-Y59 PolarHBondContact OG-O 2.76Å; Y59-L103 HydrophobicContact CD1-CD1 4.34Å; Y59-L103 HydrophobicContact CD1-CD2 4.31Å; Y59-L103 HydrophobicContact CD1-CG 4.33Å; Y59-V104 CarbonylContact C-O 3.52Å; Y59-V104 WeakPolarHBondContact CA-O 3.32Å; Y59-K105 HydrophobicContact CD1-CB 3.94Å; Y59-K105 HydrophobicContact CD1-CG 4.06Å; Y59-K105 HydrophobicContact CD2-CG 4.41Å; Y59-K105 HydrophobicContact CE1-CB 3.93Å; Y59-K105 HydrophobicContact CE1-CD 3.74Å; Y59-K105 HydrophobicContact CE1-CG 3.76Å; Y59-K105 HydrophobicContact CE2-CD 4.27Å; Y59-K105 HydrophobicContact CE2-CG 4.09Å; Y59-K105 HydrophobicContact CG-CG 4.39Å; Y59-K105 WeakPolarHBondContact OH-CE 3.39Å; Y59-K105 PolarHBondContact OH-NZ 3Å; Y59-Y137 WeakPolarHBondContact CE2-O 3.22Å; Y59-Y137 VanDerWaalsContact CZ-O 3.23Å; Y59-E138 HydrophobicContact CD2-CG 3.73Å; Y59-E138 HydrophobicContact CE2-CG 4.09Å |
| 60 | L | 95.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.4 | 169.2 | -60.9 | -176 | 0 | 0 | 0 | 109.4 | L103 V104 F106 A112 A115 K116 V131 C132 Y133 | L60-L103 WeakPolarHBondContact O-CA 3.43Å; L60-V104 PolarHBondContact N-O 3.44Å; L60-V104 PolarHBondContact O-N 3.02Å; L60-F106 HydrophobicContact CD1-CD2 4.29Å; L60-F106 HydrophobicContact CD1-CE2 3.75Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.22Å; L60-A112 HydrophobicContact CD2-CB 4.3Å; L60-A112 HydrophobicContact CG-CB 4.28Å; L60-A115 HydrophobicContact CD1-CB 3.85Å; L60-K116 HydrophobicContact CD1-CB 4.01Å; L60-K116 HydrophobicContact CD2-CB 3.95Å; L60-K116 HydrophobicContact CD2-CG 4.18Å; L60-V131 HydrophobicContact CB-CG1 4.18Å; L60-V131 HydrophobicContact CD1-CG1 3.92Å; L60-V131 HydrophobicContact CG-CG1 4.46Å; L60-C132 WeakPolarHBondContact CA-O 3.34Å; L60-Y133 HydrophobicContact CD2-CD1 3.36Å; L60-Y133 HydrophobicContact CD2-CE1 3.56Å; L60-Y133 HydrophobicContact CD2-CG 4.3Å |
| 61 | M | 95 | Very high | 92.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.1 | 165.1 | 174.6 | 170.8 | 61.7 | 0 | 0 | 108.8 | H27 Q63 L90 Y93 V101 Y102 V131 C132 V134 | H27-M61 HydrophobicContact CB-CE 3.74Å; H27-M61 WeakPolarHBondContact ND1-CE 3.35Å; M61-Q63 VanDerWaalsContact CE-NE2 3.34Å; M61-Q63 HydrophobicContact CG-CG 4.21Å; M61-L90 HydrophobicContact SD-CD2 4.13Å; M61-Y93 HydrophobicContact CE-CD2 4.43Å; M61-Y93 HydrophobicContact CE-CE1 4.33Å; M61-Y93 HydrophobicContact CE-CE2 3.89Å; M61-Y93 HydrophobicContact SD-CD1 4.33Å; M61-Y93 HydrophobicContact SD-CD2 3.95Å; M61-Y93 HydrophobicContact SD-CE1 4.42Å; M61-Y93 HydrophobicContact SD-CE2 4.03Å; M61-Y93 HydrophobicContact SD-CG 4.11Å; M61-V101 HydrophobicContact CG-CG1 3.45Å; M61-V101 VanDerWaalsContact CG-CG1 3.45Å; M61-V101 HydrophobicContact SD-CG1 3.42Å; M61-V101 WeakPolarHBondContact SD-CG1 3.41Å; M61-Y102 CarbonylContact C-O 3.6Å; M61-Y102 WeakPolarHBondContact CA-O 3.48Å; M61-V131 WeakPolarHBondContact O-CA 3.31Å; M61-C132 WeakPolarHBondContact CE-SG 3.48Å; M61-C132 PolarHBondContact N-O 2.94Å; M61-C132 PolarHBondContact O-N 3.29Å; M61-V134 HydrophobicContact CB-CG2 3.52Å |
| 62 | V | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.8 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 108 | V65 L74 V101 Y102 M119 L129 V131 | V62-V65 HydrophobicContact CB-CG2 4.3Å; V62-V65 HydrophobicContact CG1-CG2 3.63Å; V62-L74 HydrophobicContact CG1-CD1 4.24Å; V62-L74 HydrophobicContact CG1-CD2 4.49Å; V62-V101 WeakPolarHBondContact O-CA 3.36Å; V62-Y102 PolarHBondContact N-O 2.86Å; V62-Y102 PolarHBondContact O-N 3.03Å; V62-M119 HydrophobicContact CG2-CE 4.16Å; V62-L129 HydrophobicContact CG1-CB 4.35Å; V62-L129 HydrophobicContact CG1-CD1 4.29Å; V62-L129 HydrophobicContact CG1-CD2 3.88Å; V62-L129 HydrophobicContact CG1-CG 4.4Å; V62-V131 HydrophobicContact CG1-CG2 4.24Å; V62-V131 HydrophobicContact CG2-CG1 4.37Å; V62-V131 HydrophobicContact CG2-CG2 4.23Å |
| 63 | Q | 94.2 | Very high | 93.2 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 154.9 | 175.8 | -62.7 | 178.6 | -15.4 | 0 | 0 | 109.8 | M61 V101 H130 | M61-Q63 VanDerWaalsContact CE-NE2 3.34Å; M61-Q63 HydrophobicContact CG-CG 4.21Å; Q63-V101 HydrophobicContact CG-CG1 4.06Å; Q63-V101 HydrophobicContact CG-CG2 4.09Å; Q63-H130 HydrophobicContact CB-CB 4.49Å; Q63-H130 PolarHBondContact N-O 2.96Å; Q63-H130 PolarHBondContact O-N 2.89Å; Q63-H130 PolarHBondContact OE1-CD2 3.02Å |
| 64 | G | 92.6 | Very high | 93.4 | Very high | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.9 | 28.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 65 | V | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.1 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | V62 V70 L74 T99 E100 Y102 F124 L129 | V62-V65 HydrophobicContact CB-CG2 4.3Å; V62-V65 HydrophobicContact CG1-CG2 3.63Å; V65-V70 HydrophobicContact CG1-CG2 3.93Å; V65-L74 HydrophobicContact CG1-CD2 4.19Å; V65-L74 HydrophobicContact CG2-CD2 3.8Å; V65-T99 CarbonylContact O-C 3.57Å; V65-T99 VanDerWaalsContact O-CA 3.25Å; V65-T99 WeakPolarHBondContact O-CA 3.38Å; V65-E100 PolarHBondContact N-O 3.11Å; V65-E100 PolarHBondContact O-N 3.23Å; V65-Y102 HydrophobicContact CB-CD2 3.91Å; V65-Y102 HydrophobicContact CB-CE2 4.06Å; V65-Y102 HydrophobicContact CG1-CD2 3.91Å; V65-Y102 HydrophobicContact CG1-CE2 3.71Å; V65-Y102 HydrophobicContact CG2-CD2 3.84Å; V65-Y102 HydrophobicContact CG2-CE2 4.46Å; V65-F124 HydrophobicContact CG1-CE1 4.11Å; V65-L129 HydrophobicContact CG2-CD2 3.94Å |
| 66 | P | 94.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 140.2 | -178.3 | -26.1 | 37.2 | 0 | 0 | 0 | 112.8 | I68 V70 | P66-I68 HydrophobicContact CB-CD1 3.8Å; P66-I68 HydrophobicContact CB-CG1 3.95Å; P66-I68 PolarHBondContact O-N 3.33Å; P66-V70 WeakPolarHBondContact O-CG2 3.42Å |
| 67 | A | 90.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 35 Ų | 35 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 41.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | F98 E100 | A67-F98 WeakPolarHBondContact CB-O 3.47Å; A67-F98 PolarHBondContact N-O 3.27Å; A67-E100 WeakPolarHBondContact CA-OE1 3.46Å; A67-E100 HydrophobicContact CB-CG 3.96Å; A67-E100 WeakPolarHBondContact CB-OE1 3.29Å |
| 68 | I | 90 | Very high | 93.8 | Very high | 129 Ų | 129 | 35.1 Ų | 35.1 | 66% | 0.662 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 5 | -177 | -51.6 | 172.6 | 0 | 0 | 0 | 109.9 | P66 V70 | P66-I68 HydrophobicContact CB-CD1 3.8Å; P66-I68 HydrophobicContact CB-CG1 3.95Å; P66-I68 PolarHBondContact O-N 3.33Å; I68-V70 HydrophobicContact CB-CG1 4.21Å |
| 69 | G | 89.8 | Confident | 93.8 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 42% | 0.423 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 14 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M71 | G69-M71 PolarHBondContact O-N 2.62Š|
| 70 | V | 92.5 | Very high | 93.7 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 21.3 | -176.4 | -62.6 | 0 | 0 | 0 | 0 | 114.8 | V65 P66 I68 T72 E73 L74 F124 Y125 | V65-V70 HydrophobicContact CG1-CG2 3.93Å; P66-V70 WeakPolarHBondContact O-CG2 3.42Å; I68-V70 HydrophobicContact CB-CG1 4.21Å; V70-T72 VanDerWaalsContact C-N 3.34Å; V70-T72 PolarHBondContact O-N 3.33Å; V70-E73 WeakPolarHBondContact CB-OE2 3.42Å; V70-E73 VanDerWaalsContact CG1-OE2 3.29Å; V70-E73 WeakPolarHBondContact CG1-OE2 3.43Å; V70-E73 PolarHBondContact O-N 2.92Å; V70-L74 PolarHBondContact O-N 3.13Å; V70-L74 VanDerWaalsContact O-N 3.09Å; V70-F124 HydrophobicContact CB-CE1 4.16Å; V70-F124 HydrophobicContact CB-CZ 4.2Å; V70-F124 HydrophobicContact CG2-CE1 3.57Å; V70-F124 HydrophobicContact CG2-CZ 4.1Å; V70-Y125 HydrophobicContact CB-CD2 4.34Å; V70-Y125 HydrophobicContact CG1-CD1 4.16Å; V70-Y125 HydrophobicContact CG1-CD2 4.15Å; V70-Y125 HydrophobicContact CG1-CE1 4.39Å; V70-Y125 HydrophobicContact CG1-CE2 4.4Å; V70-Y125 HydrophobicContact CG1-CG 4.07Å |
| 71 | M | 92.8 | Very high | 93.6 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | -177.6 | 72.9 | 177.6 | 72.3 | 0 | 0 | 112.6 | G69 E73 L74 I75 Y102 | G69-M71 PolarHBondContact O-N 2.62Å; M71-E73 PolarHBondContact O-N 3Å; M71-L74 WeakPolarHBondContact O-CB 3.34Å; M71-L74 PolarHBondContact O-N 3.33Å; M71-I75 WeakPolarHBondContact O-CG1 3.34Å; M71-I75 PolarHBondContact O-N 2.92Å; M71-Y102 HydrophobicContact CB-CE1 3.72Å; M71-Y102 WeakPolarHBondContact CB-OH 3.34Å |
| 72 | T | 94.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 43.7 Ų | 43.7 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | -176.8 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | V70 I75 Q76 | V70-T72 VanDerWaalsContact C-N 3.34Å; V70-T72 PolarHBondContact O-N 3.33Å; T72-I75 PolarHBondContact O-N 3.14Å; T72-Q76 VanDerWaalsContact O-CG 3.29Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 3.42Å |
| 73 | E | 95.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 46.5 Ų | 46.5 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 176.9 | -58.5 | 172.5 | 124.3 | 0 | 0 | 111.3 | V70 M71 Q76 L77 F124 Y125 | V70-E73 WeakPolarHBondContact CB-OE2 3.42Å; V70-E73 VanDerWaalsContact CG1-OE2 3.29Å; V70-E73 WeakPolarHBondContact CG1-OE2 3.43Å; V70-E73 PolarHBondContact O-N 2.92Å; M71-E73 PolarHBondContact O-N 3Å; E73-Q76 PolarHBondContact O-N 3.25Å; E73-L77 WeakPolarHBondContact O-CB 3.47Å; E73-L77 PolarHBondContact O-N 2.86Å; E73-F124 HydrophobicContact CB-CZ 4.4Å; E73-Y125 HydrophobicContact CB-CE2 4.49Å; E73-Y125 PolarHBondContact OE1-OH 3Å; E73-Y125 WeakPolarHBondContact OE2-CE2 3.48Å; E73-Y125 PolarHBondContact OE2-OH 2.98Å |
| 74 | L | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 171 | 179 | 64 | 0 | 0 | 0 | 111.6 | V62 V65 V70 M71 L77 C78 Y102 M119 F124 L129 | V62-L74 HydrophobicContact CG1-CD1 4.24Å; V62-L74 HydrophobicContact CG1-CD2 4.49Å; V65-L74 HydrophobicContact CG1-CD2 4.19Å; V65-L74 HydrophobicContact CG2-CD2 3.8Å; V70-L74 PolarHBondContact O-N 3.13Å; V70-L74 VanDerWaalsContact O-N 3.09Å; M71-L74 WeakPolarHBondContact O-CB 3.34Å; M71-L74 PolarHBondContact O-N 3.33Å; L74-L77 PolarHBondContact O-N 2.94Å; L74-C78 PolarHBondContact O-N 3.44Å; L74-C78 PolarHBondContact O-SG 3.33Å; L74-C78 VanDerWaalsContact O-SG 3.38Å; L74-Y102 HydrophobicContact CD2-CD1 4.45Å; L74-Y102 HydrophobicContact CD2-CD2 4.03Å; L74-Y102 HydrophobicContact CD2-CG 3.88Å; L74-M119 HydrophobicContact CD1-CE 3.72Å; L74-F124 HydrophobicContact CB-CZ 4.01Å; L74-L129 HydrophobicContact CD1-CD1 4.18Å |
| 75 | I | 94.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.6 | -37.5 | 178.5 | -62.3 | -54 | 0 | 0 | 0 | 112.1 | M71 T72 L77 C78 A79 Y87 V104 | M71-I75 WeakPolarHBondContact O-CG1 3.34Å; M71-I75 PolarHBondContact O-N 2.92Å; T72-I75 PolarHBondContact O-N 3.14Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.64Å; I75-C78 WeakPolarHBondContact O-CB 3.11Å; I75-C78 PolarHBondContact O-N 2.82Å; I75-A79 WeakPolarHBondContact O-CB 3.49Å; I75-A79 PolarHBondContact O-N 3.32Å; I75-Y87 VanDerWaalsContact CD1-CB 3.49Å; I75-Y87 HydrophobicContact CD1-CD1 3.99Å; I75-Y87 HydrophobicContact CD1-CD2 4.06Å; I75-Y87 HydrophobicContact CD1-CG 3.58Å; I75-Y87 HydrophobicContact CG1-CD1 3.97Å; I75-Y87 HydrophobicContact CG1-CD2 3.96Å; I75-Y87 HydrophobicContact CG1-CE1 4.3Å; I75-Y87 HydrophobicContact CG1-CE2 4.28Å; I75-Y87 HydrophobicContact CG1-CG 3.8Å; I75-Y87 HydrophobicContact CG2-CD1 4.4Å; I75-V104 HydrophobicContact CD1-CG1 4.31Å; I75-V104 HydrophobicContact CD1-CG2 4.05Å |
| 76 | Q | 94.8 | Very high | 93.6 | Very high | 132 Ų | 132 | 54.1 Ų | 54.1 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 169.6 | -72.2 | 170.9 | 22.2 | 0 | 0 | 111.5 | T72 E73 C78 A79 L80 | T72-Q76 VanDerWaalsContact O-CG 3.29Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 3.42Å; E73-Q76 PolarHBondContact O-N 3.25Å; Q76-C78 PolarHBondContact O-N 2.96Å; Q76-A79 WeakPolarHBondContact O-CB 3.43Å; Q76-A79 PolarHBondContact O-N 3.49Å; Q76-L80 PolarHBondContact O-N 2.67Å |
| 77 | L | 93.8 | Very high | 93.7 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 178.2 | -173.2 | 161.6 | 0 | 0 | 0 | 111.9 | E73 L74 I75 Y81 M119 K122 F124 | E73-L77 WeakPolarHBondContact O-CB 3.47Å; E73-L77 PolarHBondContact O-N 2.86Å; L74-L77 PolarHBondContact O-N 2.94Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.64Å; L77-Y81 HydrophobicContact CD2-CE2 4.26Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 VanDerWaalsContact O-CE2 3.3Å; L77-Y81 WeakPolarHBondContact O-CE2 3.34Å; L77-M119 HydrophobicContact CD2-CE 3.79Å; L77-M119 HydrophobicContact CD2-CG 3.61Å; L77-M119 HydrophobicContact CD2-SD 3.71Å; L77-K122 HydrophobicContact CD1-CD 4.42Å; L77-K122 VanDerWaalsContact CD1-NZ 3.34Å; L77-K122 HydrophobicContact CD2-CD 4.43Å; L77-F124 HydrophobicContact CD1-CD2 3.76Å; L77-F124 HydrophobicContact CD1-CE2 3.8Å |
| 78 | C | 94.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 168.8 | -77.1 | 0 | 0 | 0 | 0 | 112.4 | L74 I75 Q76 L80 Y81 V84 F106 | L74-C78 PolarHBondContact O-N 3.44Å; L74-C78 PolarHBondContact O-SG 3.33Å; L74-C78 VanDerWaalsContact O-SG 3.38Å; I75-C78 WeakPolarHBondContact O-CB 3.11Å; I75-C78 PolarHBondContact O-N 2.82Å; Q76-C78 PolarHBondContact O-N 2.96Å; C78-L80 PolarHBondContact O-N 3.28Å; C78-Y81 PolarHBondContact O-N 2.99Å; C78-V84 HydrophobicContact CB-CG2 3.79Å; C78-F106 HydrophobicContact CB-CE1 4.17Å; C78-F106 HydrophobicContact CB-CZ 3.73Å |
| 79 | A | 94.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 45% | 0.446 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.7 | -28.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I75 Q76 Y81 G82 | I75-A79 WeakPolarHBondContact O-CB 3.49Å; I75-A79 PolarHBondContact O-N 3.32Å; Q76-A79 WeakPolarHBondContact O-CB 3.43Å; Q76-A79 PolarHBondContact O-N 3.49Å; A79-Y81 PolarHBondContact O-N 3.09Å; A79-Y81 VanDerWaalsContact O-N 3.13Å; A79-G82 PolarHBondContact O-N 3.41Å |
| 80 | L | 93.7 | Very high | 94 | Very high | 112 Ų | 112 | 58.3 Ų | 58.3 | 59% | 0.586 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.1 | 172.3 | -61.7 | 176.6 | 0 | 0 | 0 | 113.9 | Q76 C78 | Q76-L80 PolarHBondContact O-N 2.67Å; C78-L80 PolarHBondContact O-N 3.28Å |
| 81 | Y | 92.9 | Very high | 93.7 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -5.7 | 179.4 | -51.6 | -59.7 | 0 | 0 | 0 | 113.2 | L77 C78 A79 S111 A115 N118 M119 | L77-Y81 HydrophobicContact CD2-CE2 4.26Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 VanDerWaalsContact O-CE2 3.3Å; L77-Y81 WeakPolarHBondContact O-CE2 3.34Å; C78-Y81 PolarHBondContact O-N 2.99Å; A79-Y81 PolarHBondContact O-N 3.09Å; A79-Y81 VanDerWaalsContact O-N 3.13Å; Y81-S111 VanDerWaalsContact O-CB 3.24Å; Y81-S111 WeakPolarHBondContact O-CB 3.38Å; Y81-S111 PolarHBondContact O-OG 2.84Å; Y81-A115 HydrophobicContact CD2-CB 3.93Å; Y81-A115 HydrophobicContact CG-CB 4.27Å; Y81-N118 HydrophobicContact CD1-CB 4.44Å; Y81-N118 HydrophobicContact CE1-CB 3.68Å; Y81-N118 WeakPolarHBondContact CE1-ND2 3.47Å; Y81-N118 HydrophobicContact CE2-CB 4.14Å; Y81-N118 WeakPolarHBondContact OH-CB 3.4Å; Y81-M119 HydrophobicContact CD2-CG 4.35Å; Y81-M119 HydrophobicContact CD2-SD 4.23Å; Y81-M119 HydrophobicContact CE2-CG 3.82Å; Y81-M119 HydrophobicContact CE2-SD 4.18Å |
| 82 | G | 93 | Very high | 93.3 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 139.3 | 172.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A79 V84 | A79-G82 PolarHBondContact O-N 3.41Å; G82-V84 PolarHBondContact O-N 3.4Å |
| 83 | S | 94.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 33% | 0.329 | S | S | . | . | trans | -57.9 | 120.8 | -174.1 | -47 | 0 | 0 | 0 | 0 | 113 | Q107 | S83-Q107 PolarHBondContact O-N 3.35Š| ||
| 84 | V | 95.8 | Very high | 92.4 | Very high | 38 Ų | 38 | 65.6 Ų | 65.6 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 142.7 | 164.7 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | C78 G82 V104 F106 | C78-V84 HydrophobicContact CB-CG2 3.79Å; G82-V84 PolarHBondContact O-N 3.4Å; V84-V104 HydrophobicContact CG1-CG1 3.84Å; V84-V104 HydrophobicContact CG2-CG1 4.07Å; V84-F106 HydrophobicContact CG2-CD1 4.34Å; V84-F106 HydrophobicContact CG2-CE1 3.97Å; V84-F106 HydrophobicContact CG2-CZ 4.32Å |
| 85 | E | 94.7 | Very high | 91.8 | Very high | 101 Ų | 101 | 68.3 Ų | 68.3 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -43.4 | 179.7 | -175.6 | -177.5 | 126 | 0 | 0 | 111.5 | R58 K105 | R58-E85 IonicContact CZ-OE2 3.25Å; R58-E85 IonicContact NH1-OE2 2.67Å; R58-E85 IonicContact NH2-OE2 3.84Å; R58-E85 PolarHBondContact NH2-OE2 3.25Å; E85-K105 HydrophobicContact CB-CD 4.32Å; E85-K105 HydrophobicContact CB-CG 4.4Å; E85-K105 HydrophobicContact CG-CD 4.35Å; E85-K105 PolarHBondContact N-O 3.22Å; E85-K105 WeakPolarHBondContact OE1-CE 3.48Å; E85-K105 IonicContact OE1-NZ 2.72Å; E85-K105 PolarHBondContact OE1-NZ 3.21Å |
| 86 | E | 94.8 | Very high | 91.4 | Very high | 71 Ų | 71 | 74.2 Ų | 74.2 | 33% | 0.332 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.7 | 177.4 | -172.4 | -173.7 | 170.2 | 0 | 0 | 108.5 | R88 K105 | E86-R88 IonicContact OE1-CZ 2.71Å; E86-R88 IonicContact OE1-NE 3.69Å; E86-R88 PolarHBondContact OE1-NE 3.48Å; E86-R88 IonicContact OE1-NH2 3.61Å; E86-R88 PolarHBondContact OE1-NH2 2.9Å; E86-K105 HydrophobicContact CB-CB 3.98Å; E86-K105 HydrophobicContact CB-CD 4.17Å; E86-K105 PolarHBondContact O-N 3.22Å |
| 87 | Y | 95.1 | Very high | 91.2 | Very high | 114 Ų | 114 | 75.6 Ų | 75.6 | 45% | 0.447 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.6 | 165 | 65.8 | -85.7 | 0 | 0 | 0 | 110 | I75 L103 | I75-Y87 VanDerWaalsContact CD1-CB 3.49Å; I75-Y87 HydrophobicContact CD1-CD1 3.99Å; I75-Y87 HydrophobicContact CD1-CD2 4.06Å; I75-Y87 HydrophobicContact CD1-CG 3.58Å; I75-Y87 HydrophobicContact CG1-CD1 3.97Å; I75-Y87 HydrophobicContact CG1-CD2 3.96Å; I75-Y87 HydrophobicContact CG1-CE1 4.3Å; I75-Y87 HydrophobicContact CG1-CE2 4.28Å; I75-Y87 HydrophobicContact CG1-CG 3.8Å; I75-Y87 HydrophobicContact CG2-CD1 4.4Å; Y87-L103 CarbonylContact C-O 3.57Å; Y87-L103 VanDerWaalsContact CA-O 3.28Å; Y87-L103 WeakPolarHBondContact CA-O 3.47Å |
| 88 | R | 93.7 | Very high | 91 | Very high | 142 Ų | 142 | 82.9 Ų | 82.9 | 54% | 0.536 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 135.8 | -178.3 | -155.6 | -174.8 | -64.6 | -160.7 | -0.4 | 110.3 | E86 L103 | E86-R88 IonicContact OE1-CZ 2.71Å; E86-R88 IonicContact OE1-NE 3.69Å; E86-R88 PolarHBondContact OE1-NE 3.48Å; E86-R88 IonicContact OE1-NH2 3.61Å; E86-R88 PolarHBondContact OE1-NH2 2.9Å; R88-L103 PolarHBondContact N-O 2.9Å; R88-L103 PolarHBondContact O-N 3Å |
| 89 | P | 93 | Very high | 90.9 | Very high | 56 Ų | 56 | 84.3 Ų | 84.3 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 150.4 | 161.7 | 31.7 | -35 | 0 | 0 | 0 | 109.3 | Y102 | P89-Y102 HydrophobicContact CB-CE1 4.14Å |
| 90 | L | 90.4 | Very high | 90.8 | Very high | 14 Ų | 14 | 84 Ų | 84 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | trans | -128 | 63.6 | -175.4 | -167.5 | 69 | 0 | 0 | 0 | 109.9 | M61 E92 Y93 V101 | M61-L90 HydrophobicContact SD-CD2 4.13Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.14Å; L90-Y93 HydrophobicContact CD2-CD2 4.11Å; L90-Y93 HydrophobicContact CD2-CG 4.31Å; L90-Y93 VanDerWaalsContact O-CB 3.29Å; L90-Y93 WeakPolarHBondContact O-CB 3.48Å; L90-Y93 PolarHBondContact O-N 3.26Å; L90-V101 HydrophobicContact CB-CG1 4.34Å; L90-V101 HydrophobicContact CD2-CG1 4.49Å; L90-V101 PolarHBondContact N-O 3.19Å | ||
| 91 | D | 86.4 | Confident | 90.9 | Very high | 137 Ų | 137 | 78.9 Ų | 78.9 | 73% | 0.733 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.9 | -177 | -45.1 | -24.7 | 0 | 0 | 0 | 112.8 | Y93 | D91-Y93 PolarHBondContact O-N 2.6Š|
| 92 | E | 84.1 | Confident | 90.9 | Very high | 160 Ų | 160 | 76.6 Ų | 76.6 | 75% | 0.748 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.9 | 171.8 | -61.7 | 174.4 | -178.2 | 0 | 0 | 113 | P21 L90 | P21-E92 WeakPolarHBondContact CG-O 3.42Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.14Å |
| 93 | Y | 85.3 | Confident | 91.1 | Very high | 24 Ų | 24 | 77.2 Ų | 77.2 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -91.3 | 130.9 | -177.3 | -158.6 | -81.2 | 0 | 0 | 0 | 111.1 | V23 H27 M61 L90 D91 A95 V101 | V23-Y93 WeakPolarHBondContact CG1-OH 3.47Å; V23-Y93 HydrophobicContact CG2-CE1 4.19Å; H27-Y93 WeakPolarHBondContact CB-OH 3.28Å; H27-Y93 AromaticContact ND1-CE2 3.47Å; H27-Y93 WeakPolarHBondContact ND1-CE2 3.08Å; H27-Y93 AromaticContact ND1-CZ 3.55Å; H27-Y93 PolarHBondContact ND1-OH 3.43Å; M61-Y93 HydrophobicContact CE-CD2 4.43Å; M61-Y93 HydrophobicContact CE-CE1 4.33Å; M61-Y93 HydrophobicContact CE-CE2 3.89Å; M61-Y93 HydrophobicContact SD-CD1 4.33Å; M61-Y93 HydrophobicContact SD-CD2 3.95Å; M61-Y93 HydrophobicContact SD-CE1 4.42Å; M61-Y93 HydrophobicContact SD-CE2 4.03Å; M61-Y93 HydrophobicContact SD-CG 4.11Å; L90-Y93 HydrophobicContact CD2-CD2 4.11Å; L90-Y93 HydrophobicContact CD2-CG 4.31Å; L90-Y93 VanDerWaalsContact O-CB 3.29Å; L90-Y93 WeakPolarHBondContact O-CB 3.48Å; L90-Y93 PolarHBondContact O-N 3.26Å; D91-Y93 PolarHBondContact O-N 2.6Å; Y93-A95 PolarHBondContact O-N 3.15Å; Y93-V101 HydrophobicContact CD1-CG1 4.38Å; Y93-V101 HydrophobicContact CD1-CG2 4.26Å; Y93-V101 HydrophobicContact CG-CG1 4.36Å |
| 94 | P | 85.2 | Confident | 91.1 | Very high | 60 Ų | 60 | 74.3 Ų | 74.3 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | trans | -62.6 | 113.1 | 179.7 | 25 | -33.9 | 0 | 0 | 0 | 111.3 | V23 | V23-P94 HydrophobicContact CG2-CG 3.43Å; V23-P94 VanDerWaalsContact CG2-CG 3.43Å | ||
| 95 | A | 83.3 | Confident | 91.1 | Very high | 56 Ų | 56 | 73.7 Ų | 73.7 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 168.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y93 T99 V101 | Y93-A95 PolarHBondContact O-N 3.15Å; A95-T99 WeakPolarHBondContact CB-O 3.29Å; A95-V101 HydrophobicContact CB-CG2 3.9Å |
| 96 | E | 87.1 | Confident | 91.2 | Very high | 152 Ų | 152 | 68.9 Ų | 68.9 | 71% | 0.71 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -79 | 152.2 | 166.7 | -177.8 | 172 | -166.8 | 0 | 0 | 109.7 | F98 T99 | E96-F98 PolarHBondContact O-N 3.15Å; E96-T99 WeakPolarHBondContact CA-OG1 3.38Å; E96-T99 HydrophobicContact CB-CG2 4.12Å; E96-T99 WeakPolarHBondContact CB-OG1 3.15Å; E96-T99 HydrophobicContact CG-CG2 4.5Å; E96-T99 PolarHBondContact N-OG1 3.21Å; E96-T99 VanDerWaalsContact N-OG1 3.13Å; E96-T99 WeakPolarHBondContact O-CB 3.48Å; E96-T99 PolarHBondContact O-N 2.81Å; E96-T99 PolarHBondContact O-OG1 2.8Å |
| 97 | E | 89.2 | Confident | 91.1 | Very high | 161 Ų | 161 | 70.1 Ų | 70.1 | 75% | 0.752 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135.8 | -178.9 | -64.6 | -178.6 | -172.3 | 0 | 0 | 111.8 | T99 | E97-T99 PolarHBondContact O-N 3.38Å; E97-T99 VanDerWaalsContact O-N 3.16Å |
| 98 | F | 89 | Confident | 91 | Very high | 175 Ų | 175 | 69.4 Ų | 69.4 | 77% | 0.768 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 17.3 | -175.5 | -42.6 | -80.8 | 0 | 0 | 0 | 114.9 | A67 E96 | A67-F98 WeakPolarHBondContact CB-O 3.47Å; A67-F98 PolarHBondContact N-O 3.27Å; E96-F98 PolarHBondContact O-N 3.15Å |
| 99 | T | 93.4 | Very high | 90.9 | Very high | 31 Ų | 31 | 63.3 Ų | 63.3 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.6 | 170.9 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | V65 A95 E96 E97 | V65-T99 CarbonylContact O-C 3.57Å; V65-T99 VanDerWaalsContact O-CA 3.25Å; V65-T99 WeakPolarHBondContact O-CA 3.38Å; A95-T99 WeakPolarHBondContact CB-O 3.29Å; E96-T99 WeakPolarHBondContact CA-OG1 3.38Å; E96-T99 HydrophobicContact CB-CG2 4.12Å; E96-T99 WeakPolarHBondContact CB-OG1 3.15Å; E96-T99 HydrophobicContact CG-CG2 4.5Å; E96-T99 PolarHBondContact N-OG1 3.21Å; E96-T99 VanDerWaalsContact N-OG1 3.13Å; E96-T99 WeakPolarHBondContact O-CB 3.48Å; E96-T99 PolarHBondContact O-N 2.81Å; E96-T99 PolarHBondContact O-OG1 2.8Å; E97-T99 PolarHBondContact O-N 3.38Å; E97-T99 VanDerWaalsContact O-N 3.16Å |
| 100 | E | 92.7 | Very high | 90.8 | Very high | 48 Ų | 48 | 62.9 Ų | 62.9 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 158.5 | 175.4 | -70.9 | 165.3 | -170.7 | 0 | 0 | 109.6 | V65 A67 Y102 | V65-E100 PolarHBondContact N-O 3.11Å; V65-E100 PolarHBondContact O-N 3.23Å; A67-E100 WeakPolarHBondContact CA-OE1 3.46Å; A67-E100 HydrophobicContact CB-CG 3.96Å; A67-E100 WeakPolarHBondContact CB-OE1 3.29Å; E100-Y102 HydrophobicContact CB-CD2 4.19Å; E100-Y102 HydrophobicContact CB-CE2 3.57Å; E100-Y102 HydrophobicContact CG-CE2 4.48Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.43Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.26Å; E100-Y102 PolarHBondContact OE2-OH 3.18Å |
| 101 | V | 94.1 | Very high | 91 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.2 | 177 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | M61 V62 Q63 L90 Y93 A95 | M61-V101 HydrophobicContact CG-CG1 3.45Å; M61-V101 VanDerWaalsContact CG-CG1 3.45Å; M61-V101 HydrophobicContact SD-CG1 3.42Å; M61-V101 WeakPolarHBondContact SD-CG1 3.41Å; V62-V101 WeakPolarHBondContact O-CA 3.36Å; Q63-V101 HydrophobicContact CG-CG1 4.06Å; Q63-V101 HydrophobicContact CG-CG2 4.09Å; L90-V101 HydrophobicContact CB-CG1 4.34Å; L90-V101 HydrophobicContact CD2-CG1 4.49Å; L90-V101 PolarHBondContact N-O 3.19Å; Y93-V101 HydrophobicContact CD1-CG1 4.38Å; Y93-V101 HydrophobicContact CD1-CG2 4.26Å; Y93-V101 HydrophobicContact CG-CG1 4.36Å; A95-V101 HydrophobicContact CB-CG2 3.9Å |
| 102 | Y | 94.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.1 | -176.3 | -77.7 | -95.8 | 0 | 0 | 0 | 111.8 | M61 V62 V65 M71 L74 P89 E100 | M61-Y102 CarbonylContact C-O 3.6Å; M61-Y102 WeakPolarHBondContact CA-O 3.48Å; V62-Y102 PolarHBondContact N-O 2.86Å; V62-Y102 PolarHBondContact O-N 3.03Å; V65-Y102 HydrophobicContact CB-CD2 3.91Å; V65-Y102 HydrophobicContact CB-CE2 4.06Å; V65-Y102 HydrophobicContact CG1-CD2 3.91Å; V65-Y102 HydrophobicContact CG1-CE2 3.71Å; V65-Y102 HydrophobicContact CG2-CD2 3.84Å; V65-Y102 HydrophobicContact CG2-CE2 4.46Å; M71-Y102 HydrophobicContact CB-CE1 3.72Å; M71-Y102 WeakPolarHBondContact CB-OH 3.34Å; L74-Y102 HydrophobicContact CD2-CD1 4.45Å; L74-Y102 HydrophobicContact CD2-CD2 4.03Å; L74-Y102 HydrophobicContact CD2-CG 3.88Å; P89-Y102 HydrophobicContact CB-CE1 4.14Å; E100-Y102 HydrophobicContact CB-CD2 4.19Å; E100-Y102 HydrophobicContact CB-CE2 3.57Å; E100-Y102 HydrophobicContact CG-CE2 4.48Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.43Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.26Å; E100-Y102 PolarHBondContact OE2-OH 3.18Å |
| 103 | L | 95.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.5 | 167.7 | -173.1 | 68.1 | 0 | 0 | 0 | 109.2 | Y59 L60 Y87 R88 V134 Y137 | Y59-L103 HydrophobicContact CD1-CD1 4.34Å; Y59-L103 HydrophobicContact CD1-CD2 4.31Å; Y59-L103 HydrophobicContact CD1-CG 4.33Å; L60-L103 WeakPolarHBondContact O-CA 3.43Å; Y87-L103 CarbonylContact C-O 3.57Å; Y87-L103 VanDerWaalsContact CA-O 3.28Å; Y87-L103 WeakPolarHBondContact CA-O 3.47Å; R88-L103 PolarHBondContact N-O 2.9Å; R88-L103 PolarHBondContact O-N 3Å; L103-V134 HydrophobicContact CD1-CB 4.36Å; L103-V134 HydrophobicContact CD1-CG2 3.78Å; L103-Y137 HydrophobicContact CD1-CD2 4.39Å; L103-Y137 HydrophobicContact CD1-CG 4.36Å; L103-Y137 HydrophobicContact CD2-CD1 3.58Å; L103-Y137 HydrophobicContact CD2-CE1 3.91Å; L103-Y137 HydrophobicContact CD2-CG 3.96Å |
| 104 | V | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 119 | -178 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | Y59 L60 I75 V84 F106 | Y59-V104 CarbonylContact C-O 3.52Å; Y59-V104 WeakPolarHBondContact CA-O 3.32Å; L60-V104 PolarHBondContact N-O 3.44Å; L60-V104 PolarHBondContact O-N 3.02Å; I75-V104 HydrophobicContact CD1-CG1 4.31Å; I75-V104 HydrophobicContact CD1-CG2 4.05Å; V84-V104 HydrophobicContact CG1-CG1 3.84Å; V84-V104 HydrophobicContact CG2-CG1 4.07Å; V104-F106 HydrophobicContact CB-CE2 4.43Å; V104-F106 HydrophobicContact CG1-CD2 4.31Å; V104-F106 HydrophobicContact CG1-CE2 3.78Å; V104-F106 HydrophobicContact CG1-CZ 4.21Å |
| 105 | K | 95.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.7 | 178.1 | -172.6 | -173.4 | -171.8 | -176.3 | 0 | 110.2 | Y59 E85 E86 | Y59-K105 HydrophobicContact CD1-CB 3.94Å; Y59-K105 HydrophobicContact CD1-CG 4.06Å; Y59-K105 HydrophobicContact CD2-CG 4.41Å; Y59-K105 HydrophobicContact CE1-CB 3.93Å; Y59-K105 HydrophobicContact CE1-CD 3.74Å; Y59-K105 HydrophobicContact CE1-CG 3.76Å; Y59-K105 HydrophobicContact CE2-CD 4.27Å; Y59-K105 HydrophobicContact CE2-CG 4.09Å; Y59-K105 HydrophobicContact CG-CG 4.39Å; Y59-K105 WeakPolarHBondContact OH-CE 3.39Å; Y59-K105 PolarHBondContact OH-NZ 3Å; E85-K105 HydrophobicContact CB-CD 4.32Å; E85-K105 HydrophobicContact CB-CG 4.4Å; E85-K105 HydrophobicContact CG-CD 4.35Å; E85-K105 PolarHBondContact N-O 3.22Å; E85-K105 WeakPolarHBondContact OE1-CE 3.48Å; E85-K105 IonicContact OE1-NZ 2.72Å; E85-K105 PolarHBondContact OE1-NZ 3.21Å; E86-K105 HydrophobicContact CB-CB 3.98Å; E86-K105 HydrophobicContact CB-CD 4.17Å; E86-K105 PolarHBondContact O-N 3.22Å |
| 106 | F | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 146.7 | 173.7 | -74.1 | -92.5 | 0 | 0 | 0 | 112 | R58 L60 C78 V84 V104 K108 A112 A115 | R58-F106 PolarHBondContact NE-O 2.85Å; R58-F106 PolarHBondContact NH2-O 2.79Å; R58-F106 PolarHBondContact O-N 2.96Å; L60-F106 HydrophobicContact CD1-CD2 4.29Å; L60-F106 HydrophobicContact CD1-CE2 3.75Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.22Å; C78-F106 HydrophobicContact CB-CE1 4.17Å; C78-F106 HydrophobicContact CB-CZ 3.73Å; V84-F106 HydrophobicContact CG2-CD1 4.34Å; V84-F106 HydrophobicContact CG2-CE1 3.97Å; V84-F106 HydrophobicContact CG2-CZ 4.32Å; V104-F106 HydrophobicContact CB-CE2 4.43Å; V104-F106 HydrophobicContact CG1-CD2 4.31Å; V104-F106 HydrophobicContact CG1-CE2 3.78Å; V104-F106 HydrophobicContact CG1-CZ 4.21Å; F106-K108 PolarHBondContact O-N 3.4Å; F106-A112 HydrophobicContact CB-CB 4.22Å; F106-A112 HydrophobicContact CD2-CB 4.05Å; F106-A112 HydrophobicContact CG-CB 4.31Å; F106-A115 HydrophobicContact CE1-CB 4.26Å; F106-A115 HydrophobicContact CE2-CB 4.02Å; F106-A115 HydrophobicContact CZ-CB 3.61Å |
| 107 | Q | 93.3 | Very high | 93.4 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 45% | 0.449 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -58.8 | -29.3 | 174.6 | -160.6 | -165.9 | 48.6 | 0 | 0 | 112.5 | R58 S83 | R58-Q107 VanDerWaalsContact NH2-CA 3.29Å; R58-Q107 PolarHBondContact NH2-O 2.92Å; S83-Q107 PolarHBondContact O-N 3.35Å |
| 108 | K | 92.3 | Very high | 93.5 | Very high | 99 Ų | 99 | 37 Ų | 37 | 43% | 0.43 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -135.8 | 136.5 | -173.2 | -65.9 | 170.8 | -174.6 | 161.8 | 0 | 111.6 | F106 T110 S111 A112 | F106-K108 PolarHBondContact O-N 3.4Å; K108-T110 PolarHBondContact O-N 2.74Å; K108-S111 WeakPolarHBondContact O-CB 3.39Å; K108-S111 PolarHBondContact O-N 2.92Å; K108-A112 PolarHBondContact O-N 3.5Å; K108-A112 VanDerWaalsContact O-N 3.17Å |
| 109 | L | 92.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 7% | 0.073 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -33.1 | 176.9 | -174.4 | 71.4 | 0 | 0 | 0 | 112.6 | E56 S57 A112 R113 K146 | E56-L109 HydrophobicContact CB-CD1 4.33Å; S57-L109 VanDerWaalsContact C-CD1 3.44Å; L109-A112 PolarHBondContact O-N 2.61Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 2.65Å; L109-K146 HydrophobicContact CD2-CG 4.19Å |
| 110 | T | 91.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 28.6 Ų | 28.6 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 175.2 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | K108 R113 A114 G241 T242 | K108-T110 PolarHBondContact O-N 2.74Å; T110-R113 PolarHBondContact O-N 2.83Å; T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.05Å; T110-G241 WeakPolarHBondContact CG2-O 3.36Å; T110-T242 WeakPolarHBondContact O-CG2 3.42Å |
| 111 | S | 93.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | 174.3 | -67 | 0 | 0 | 0 | 0 | 111.7 | Y81 K108 R113 A114 A115 | Y81-S111 VanDerWaalsContact O-CB 3.24Å; Y81-S111 WeakPolarHBondContact O-CB 3.38Å; Y81-S111 PolarHBondContact O-OG 2.84Å; K108-S111 WeakPolarHBondContact O-CB 3.39Å; K108-S111 PolarHBondContact O-N 2.92Å; S111-R113 PolarHBondContact O-N 2.89Å; S111-A114 PolarHBondContact O-N 2.78Å; S111-A114 VanDerWaalsContact O-N 3.09Å; S111-A115 WeakPolarHBondContact O-CB 3.49Å; S111-A115 PolarHBondContact O-N 3.03Å |
| 112 | A | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S57 L60 F106 K108 L109 A114 A115 K116 | S57-A112 WeakPolarHBondContact O-CB 3.46Å; L60-A112 HydrophobicContact CD2-CB 4.3Å; L60-A112 HydrophobicContact CG-CB 4.28Å; F106-A112 HydrophobicContact CB-CB 4.22Å; F106-A112 HydrophobicContact CD2-CB 4.05Å; F106-A112 HydrophobicContact CG-CB 4.31Å; K108-A112 PolarHBondContact O-N 3.5Å; K108-A112 VanDerWaalsContact O-N 3.17Å; L109-A112 PolarHBondContact O-N 2.61Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.95Å; A112-A115 PolarHBondContact O-N 2.86Å; A112-K116 VanDerWaalsContact O-CB 3.25Å; A112-K116 WeakPolarHBondContact O-CB 3.3Å; A112-K116 PolarHBondContact O-N 2.95Å |
| 113 | R | 93.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 172.6 | -74.1 | 175.3 | 179.4 | 151.2 | 5.2 | 113.3 | E56 L109 T110 S111 R117 Y133 M240 T242 | E56-R113 VanDerWaalsContact CD-NE 3.27Å; E56-R113 IonicContact OE1-CZ 3.51Å; E56-R113 IonicContact OE1-NE 2.65Å; E56-R113 PolarHBondContact OE1-NE 3.5Å; E56-R113 IonicContact OE1-NH2 3.73Å; E56-R113 IonicContact OE2-CZ 3.9Å; E56-R113 VanDerWaalsContact OE2-CZ 3.25Å; E56-R113 IonicContact OE2-NE 3.33Å; E56-R113 PolarHBondContact OE2-NE 2.93Å; E56-R113 IonicContact OE2-NH2 3.79Å; E56-R113 PolarHBondContact OE2-NH2 3.48Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 2.65Å; T110-R113 PolarHBondContact O-N 2.83Å; S111-R113 PolarHBondContact O-N 2.89Å; R113-R117 WeakPolarHBondContact O-CD 3.43Å; R113-R117 VanDerWaalsContact O-CG 3.22Å; R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.05Å; R113-Y133 WeakPolarHBondContact CG-OH 3.44Å; R113-M240 PolarHBondContact NH1-O 3.48Å; R113-T242 HydrophobicContact CB-CG2 4.42Å |
| 114 | A | 93 | Very high | 93.7 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.3 | -46.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T110 S111 A112 R117 N118 T242 | T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.05Å; S111-A114 PolarHBondContact O-N 2.78Å; S111-A114 VanDerWaalsContact O-N 3.09Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.95Å; A114-R117 PolarHBondContact O-N 2.79Å; A114-N118 PolarHBondContact O-N 2.94Å; A114-N118 PolarHBondContact O-ND2 3.19Å; A114-N118 VanDerWaalsContact O-ND2 3.12Å; A114-T242 HydrophobicContact CB-CG2 4.17Å |
| 115 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.7 | -53.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L60 Y81 F106 S111 A112 R117 N118 M119 | L60-A115 HydrophobicContact CD1-CB 3.85Å; Y81-A115 HydrophobicContact CD2-CB 3.93Å; Y81-A115 HydrophobicContact CG-CB 4.27Å; F106-A115 HydrophobicContact CE1-CB 4.26Å; F106-A115 HydrophobicContact CE2-CB 4.02Å; F106-A115 HydrophobicContact CZ-CB 3.61Å; S111-A115 WeakPolarHBondContact O-CB 3.49Å; S111-A115 PolarHBondContact O-N 3.03Å; A112-A115 PolarHBondContact O-N 2.86Å; A115-R117 PolarHBondContact O-N 3.44Å; A115-N118 PolarHBondContact O-N 3.43Å; A115-M119 HydrophobicContact CB-SD 3.88Å; A115-M119 WeakPolarHBondContact O-CB 3.37Å; A115-M119 WeakPolarHBondContact O-CG 3.3Å; A115-M119 PolarHBondContact O-N 3.07Å |
| 116 | K | 94.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -16.7 | -179.5 | -165.4 | -97.2 | 168.3 | -64.7 | 0 | 114.5 | Y51 L60 A112 D120 V131 Y133 | Y51-K116 VanDerWaalsContact OH-CE 3.29Å; Y51-K116 WeakPolarHBondContact OH-CE 3.26Å; L60-K116 HydrophobicContact CD1-CB 4.01Å; L60-K116 HydrophobicContact CD2-CB 3.95Å; L60-K116 HydrophobicContact CD2-CG 4.18Å; A112-K116 VanDerWaalsContact O-CB 3.25Å; A112-K116 WeakPolarHBondContact O-CB 3.3Å; A112-K116 PolarHBondContact O-N 2.95Å; K116-D120 IonicContact NZ-OD1 3.98Å; K116-D120 PolarHBondContact NZ-OD1 3.03Å; K116-D120 IonicContact NZ-OD2 2.64Å; K116-D120 PolarHBondContact NZ-OD2 3.36Å; K116-D120 WeakPolarHBondContact O-CB 3.49Å; K116-V131 HydrophobicContact CB-CG1 4.28Å; K116-V131 WeakPolarHBondContact CE-O 3.09Å; K116-V131 HydrophobicContact CG-CB 4.48Å; K116-V131 HydrophobicContact CG-CG1 4Å; K116-V131 PolarHBondContact NZ-O 2.9Å; K116-Y133 HydrophobicContact CB-CE1 4.29Å; K116-Y133 HydrophobicContact CD-CD2 4.42Å; K116-Y133 HydrophobicContact CD-CE2 3.79Å; K116-Y133 HydrophobicContact CG-CE1 4.35Å; K116-Y133 HydrophobicContact CG-CE2 4.29Å |
| 117 | R | 92.3 | Very high | 93.1 | Very high | 106 Ų | 106 | 46.4 Ų | 46.4 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -89.9 | -27.4 | 173.6 | -75 | 171.1 | -172.6 | 173.7 | 5.1 | 114.5 | R113 A114 A115 D238 | R113-R117 WeakPolarHBondContact O-CD 3.43Å; R113-R117 VanDerWaalsContact O-CG 3.22Å; R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.05Å; A114-R117 PolarHBondContact O-N 2.79Å; A115-R117 PolarHBondContact O-N 3.44Å; R117-D238 IonicContact CZ-OD2 2.7Å; R117-D238 IonicContact NH1-OD2 2.69Å; R117-D238 PolarHBondContact NH1-OD2 3.42Å; R117-D238 IonicContact NH2-OD2 3.14Å; R117-D238 PolarHBondContact NH2-OD2 3.43Å |
| 118 | N | 91.6 | Very high | 93.1 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -105.1 | -20.4 | -171.8 | -66 | -34.1 | 0 | 0 | 0 | 112.9 | Y81 A114 A115 | Y81-N118 HydrophobicContact CD1-CB 4.44Å; Y81-N118 HydrophobicContact CE1-CB 3.68Å; Y81-N118 WeakPolarHBondContact CE1-ND2 3.47Å; Y81-N118 HydrophobicContact CE2-CB 4.14Å; Y81-N118 WeakPolarHBondContact OH-CB 3.4Å; A114-N118 PolarHBondContact O-N 2.94Å; A114-N118 PolarHBondContact O-ND2 3.19Å; A114-N118 VanDerWaalsContact O-ND2 3.12Å; A115-N118 PolarHBondContact O-N 3.43Å |
| 119 | M | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -97.8 | -25 | 178.2 | -62.3 | 178.3 | 54.4 | 0 | 0 | 113.4 | V62 L74 L77 Y81 A115 E121 K122 L129 V131 | V62-M119 HydrophobicContact CG2-CE 4.16Å; L74-M119 HydrophobicContact CD1-CE 3.72Å; L77-M119 HydrophobicContact CD2-CE 3.79Å; L77-M119 HydrophobicContact CD2-CG 3.61Å; L77-M119 HydrophobicContact CD2-SD 3.71Å; Y81-M119 HydrophobicContact CD2-CG 4.35Å; Y81-M119 HydrophobicContact CD2-SD 4.23Å; Y81-M119 HydrophobicContact CE2-CG 3.82Å; Y81-M119 HydrophobicContact CE2-SD 4.18Å; A115-M119 HydrophobicContact CB-SD 3.88Å; A115-M119 WeakPolarHBondContact O-CB 3.37Å; A115-M119 WeakPolarHBondContact O-CG 3.3Å; A115-M119 PolarHBondContact O-N 3.07Å; M119-E121 PolarHBondContact O-N 2.97Å; M119-K122 WeakPolarHBondContact O-CB 3.47Å; M119-K122 PolarHBondContact O-N 2.81Å; M119-L129 HydrophobicContact CE-CD1 4.29Å; M119-L129 WeakPolarHBondContact O-CB 3.47Å; M119-V131 HydrophobicContact CB-CG2 3.81Å |
| 120 | D | 93.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 120.3 | 179.1 | -171.4 | 49.2 | 0 | 0 | 0 | 110.8 | K116 K122 H130 V131 | K116-D120 IonicContact NZ-OD1 3.98Å; K116-D120 PolarHBondContact NZ-OD1 3.03Å; K116-D120 IonicContact NZ-OD2 2.64Å; K116-D120 PolarHBondContact NZ-OD2 3.36Å; K116-D120 WeakPolarHBondContact O-CB 3.49Å; D120-K122 VanDerWaalsContact C-N 3.34Å; D120-H130 IonicContact OD1-ND1 3.15Å; D120-V131 HydrophobicContact CB-CB 4.26Å; D120-V131 PolarHBondContact OD1-N 3.19Å |
| 121 | E | 92.5 | Very high | 93.5 | Very high | 66 Ų | 66 | 38.9 Ų | 38.9 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 29.7 | -166.3 | -52.3 | 160.4 | -161.7 | 0 | 0 | 113.9 | K46 M119 L129 | K46-E121 VanDerWaalsContact CE-OE2 3.23Å; K46-E121 WeakPolarHBondContact CE-OE2 3.3Å; K46-E121 IonicContact NZ-OE1 2.68Å; K46-E121 PolarHBondContact NZ-OE1 2.87Å; K46-E121 IonicContact NZ-OE2 3.59Å; K46-E121 PolarHBondContact NZ-OE2 2.91Å; M119-E121 PolarHBondContact O-N 2.97Å; E121-L129 WeakPolarHBondContact CA-O 3.44Å; E121-L129 PolarHBondContact N-O 3.38Å |
| 122 | K | 93.3 | Very high | 93.6 | Very high | 64 Ų | 64 | 38.2 Ų | 38.2 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.8 | 175.1 | -171.5 | -177.5 | 179 | 179 | 0 | 110.8 | L77 M119 D120 L129 | L77-K122 HydrophobicContact CD1-CD 4.42Å; L77-K122 VanDerWaalsContact CD1-NZ 3.34Å; L77-K122 HydrophobicContact CD2-CD 4.43Å; M119-K122 WeakPolarHBondContact O-CB 3.47Å; M119-K122 PolarHBondContact O-N 2.81Å; D120-K122 VanDerWaalsContact C-N 3.34Å; K122-L129 PolarHBondContact O-N 3.27Å |
| 123 | S | 94.4 | Very high | 93.6 | Very high | 92 Ų | 92 | 38.6 Ų | 38.6 | 64% | 0.643 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134.4 | 171.4 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | G127 | S123-G127 CarbonylContact C-O 3.49Å; S123-G127 VanDerWaalsContact CA-O 3.3Å; S123-G127 WeakPolarHBondContact CA-O 3.42Å |
| 124 | F | 94.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 116.7 | -176.4 | -174.8 | -105.7 | 0 | 0 | 0 | 109.1 | V65 V70 E73 L74 L77 G126 G127 L129 | V65-F124 HydrophobicContact CG1-CE1 4.11Å; V70-F124 HydrophobicContact CB-CE1 4.16Å; V70-F124 HydrophobicContact CB-CZ 4.2Å; V70-F124 HydrophobicContact CG2-CE1 3.57Å; V70-F124 HydrophobicContact CG2-CZ 4.1Å; E73-F124 HydrophobicContact CB-CZ 4.4Å; L74-F124 HydrophobicContact CB-CZ 4.01Å; L77-F124 HydrophobicContact CD1-CD2 3.76Å; L77-F124 HydrophobicContact CD1-CE2 3.8Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 2.86Å; F124-G126 VanDerWaalsContact O-N 3.16Å; F124-G127 PolarHBondContact N-O 2.88Å; F124-G127 WeakPolarHBondContact O-CA 3.33Å; F124-G127 PolarHBondContact O-N 2.9Å; F124-L129 HydrophobicContact CB-CD1 3.86Å; F124-L129 HydrophobicContact CB-CD2 3.91Å; F124-L129 HydrophobicContact CB-CG 3.63Å; F124-L129 HydrophobicContact CD1-CD1 4.4Å; F124-L129 HydrophobicContact CD1-CD2 3.84Å; F124-L129 HydrophobicContact CD1-CG 4.39Å; F124-L129 HydrophobicContact CD2-CD1 4.4Å; F124-L129 HydrophobicContact CG-CD1 3.99Å; F124-L129 HydrophobicContact CG-CD2 4.11Å; F124-L129 HydrophobicContact CG-CG 4.14Å |
| 125 | Y | 93.3 | Very high | 93.7 | Very high | 124 Ų | 124 | 39.2 Ų | 39.2 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 44.7 | -178 | -66.1 | -89.4 | 0 | 0 | 0 | 114.5 | V70 E73 G127 | V70-Y125 HydrophobicContact CB-CD2 4.34Å; V70-Y125 HydrophobicContact CG1-CD1 4.16Å; V70-Y125 HydrophobicContact CG1-CD2 4.15Å; V70-Y125 HydrophobicContact CG1-CE1 4.39Å; V70-Y125 HydrophobicContact CG1-CE2 4.4Å; V70-Y125 HydrophobicContact CG1-CG 4.07Å; E73-Y125 HydrophobicContact CB-CE2 4.49Å; E73-Y125 PolarHBondContact OE1-OH 3Å; E73-Y125 WeakPolarHBondContact OE2-CE2 3.48Å; E73-Y125 PolarHBondContact OE2-OH 2.98Å; Y125-G127 PolarHBondContact O-N 3.33Å |
| 126 | G | 91.7 | Very high | 93.5 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 86% | 0.856 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -31.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F124 | F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 2.86Å; F124-G126 VanDerWaalsContact O-N 3.16Å |
| 127 | G | 91.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 47 Ų | 47 | 27% | 0.268 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S123 F124 Y125 | S123-G127 CarbonylContact C-O 3.49Å; S123-G127 VanDerWaalsContact CA-O 3.3Å; S123-G127 WeakPolarHBondContact CA-O 3.42Å; F124-G127 PolarHBondContact N-O 2.88Å; F124-G127 WeakPolarHBondContact O-CA 3.33Å; F124-G127 PolarHBondContact O-N 2.9Å; Y125-G127 PolarHBondContact O-N 3.33Å |
| 128 | V | 93.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 43 Ų | 43 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.1 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 109 | H130 | V128-H130 PolarHBondContact O-N 3.32Å |
| 129 | L | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 131.4 | 179.4 | -59.7 | -177.7 | 0 | 0 | 0 | 111.3 | V62 V65 L74 M119 E121 K122 F124 V131 | V62-L129 HydrophobicContact CG1-CB 4.35Å; V62-L129 HydrophobicContact CG1-CD1 4.29Å; V62-L129 HydrophobicContact CG1-CD2 3.88Å; V62-L129 HydrophobicContact CG1-CG 4.4Å; V65-L129 HydrophobicContact CG2-CD2 3.94Å; L74-L129 HydrophobicContact CD1-CD1 4.18Å; M119-L129 HydrophobicContact CE-CD1 4.29Å; M119-L129 WeakPolarHBondContact O-CB 3.47Å; E121-L129 WeakPolarHBondContact CA-O 3.44Å; E121-L129 PolarHBondContact N-O 3.38Å; K122-L129 PolarHBondContact O-N 3.27Å; F124-L129 HydrophobicContact CB-CD1 3.86Å; F124-L129 HydrophobicContact CB-CD2 3.91Å; F124-L129 HydrophobicContact CB-CG 3.63Å; F124-L129 HydrophobicContact CD1-CD1 4.4Å; F124-L129 HydrophobicContact CD1-CD2 3.84Å; F124-L129 HydrophobicContact CD1-CG 4.39Å; F124-L129 HydrophobicContact CD2-CD1 4.4Å; F124-L129 HydrophobicContact CG-CD1 3.99Å; F124-L129 HydrophobicContact CG-CD2 4.11Å; F124-L129 HydrophobicContact CG-CG 4.14Å; L129-V131 HydrophobicContact CB-CG2 4.41Å |
| 130 | H | 94.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126 | 168.2 | 172.6 | 63.9 | 0 | 0 | 0 | 108.8 | H27 Q29 Q63 D120 V128 | H27-H130 PolarHBondContact O-NE2 2.72Å; Q29-H130 PolarHBondContact NE2-ND1 3.16Å; Q63-H130 HydrophobicContact CB-CB 4.49Å; Q63-H130 PolarHBondContact N-O 2.96Å; Q63-H130 PolarHBondContact O-N 2.89Å; Q63-H130 PolarHBondContact OE1-CD2 3.02Å; D120-H130 IonicContact OD1-ND1 3.15Å; V128-H130 PolarHBondContact O-N 3.32Å |
| 131 | V | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.4 | -169.2 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L60 M61 V62 K116 M119 D120 L129 | L60-V131 HydrophobicContact CB-CG1 4.18Å; L60-V131 HydrophobicContact CD1-CG1 3.92Å; L60-V131 HydrophobicContact CG-CG1 4.46Å; M61-V131 WeakPolarHBondContact O-CA 3.31Å; V62-V131 HydrophobicContact CG1-CG2 4.24Å; V62-V131 HydrophobicContact CG2-CG1 4.37Å; V62-V131 HydrophobicContact CG2-CG2 4.23Å; K116-V131 HydrophobicContact CB-CG1 4.28Å; K116-V131 WeakPolarHBondContact CE-O 3.09Å; K116-V131 HydrophobicContact CG-CB 4.48Å; K116-V131 HydrophobicContact CG-CG1 4Å; K116-V131 PolarHBondContact NZ-O 2.9Å; M119-V131 HydrophobicContact CB-CG2 3.81Å; D120-V131 HydrophobicContact CB-CB 4.26Å; D120-V131 PolarHBondContact OD1-N 3.19Å; L129-V131 HydrophobicContact CB-CG2 4.41Å |
| 132 | C | 94.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 159.4 | 179 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | L60 M61 | L60-C132 WeakPolarHBondContact CA-O 3.34Å; M61-C132 WeakPolarHBondContact CE-SG 3.48Å; M61-C132 PolarHBondContact N-O 2.94Å; M61-C132 PolarHBondContact O-N 3.29Å |
| 133 | Y | 95.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 152.1 | 164.9 | -66.4 | -64.2 | 0 | 0 | 0 | 108.8 | H26 Y51 L55 E56 S57 L60 R113 K116 | H26-Y133 PolarHBondContact NE2-O 3.17Å; Y51-Y133 AromaticContact CD1-CD2 3.52Å; Y51-Y133 HydrophobicContact CD1-CD2 3.52Å; Y51-Y133 AromaticContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD2-CE2 4.35Å; Y51-Y133 AromaticContact CE1-CD2 3.53Å; Y51-Y133 HydrophobicContact CE1-CD2 3.53Å; Y51-Y133 AromaticContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE2-CE2 4.5Å; Y51-Y133 HydrophobicContact CG-CD2 4.19Å; Y51-Y133 HydrophobicContact CG-CE2 4.01Å; L55-Y133 VanDerWaalsContact O-CB 3.26Å; L55-Y133 WeakPolarHBondContact O-CB 3.19Å; E56-Y133 HydrophobicContact CB-CD2 4.5Å; E56-Y133 HydrophobicContact CB-CE1 4.36Å; E56-Y133 HydrophobicContact CB-CE2 4.25Å; E56-Y133 HydrophobicContact CG-CE2 3.97Å; S57-Y133 WeakPolarHBondContact OG-CA 3.29Å; S57-Y133 VanDerWaalsContact OG-CB 3.31Å; S57-Y133 WeakPolarHBondContact OG-CB 3.46Å; L60-Y133 HydrophobicContact CD2-CD1 3.36Å; L60-Y133 HydrophobicContact CD2-CE1 3.56Å; L60-Y133 HydrophobicContact CD2-CG 4.3Å; R113-Y133 WeakPolarHBondContact CG-OH 3.44Å; K116-Y133 HydrophobicContact CB-CE1 4.29Å; K116-Y133 HydrophobicContact CD-CD2 4.42Å; K116-Y133 HydrophobicContact CD-CE2 3.79Å; K116-Y133 HydrophobicContact CG-CE1 4.35Å; K116-Y133 HydrophobicContact CG-CE2 4.29Å |
| 134 | V | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -134.7 | 73.3 | -177.7 | -128.6 | 0 | 0 | 0 | 0 | 107.6 | H27 S57 M61 L103 E136 Y137 | H27-V134 WeakPolarHBondContact NE2-CG1 3.03Å; S57-V134 PolarHBondContact OG-N 3.49Å; M61-V134 HydrophobicContact CB-CG2 3.52Å; L103-V134 HydrophobicContact CD1-CB 4.36Å; L103-V134 HydrophobicContact CD1-CG2 3.78Å; V134-E136 WeakPolarHBondContact CA-OE2 2.81Å; V134-E136 PolarHBondContact O-N 3.31Å; V134-Y137 HydrophobicContact CB-CD2 3.93Å; V134-Y137 HydrophobicContact CG1-CD2 3.54Å; V134-Y137 HydrophobicContact CG1-CE2 3.75Å; V134-Y137 PolarHBondContact O-N 3.37Å | ||
| 135 | P | 93.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -62.9 | -16.5 | 177.6 | 27.4 | -35.4 | 0 | 0 | 0 | 113.3 | Y137 E138 | P135-Y137 PolarHBondContact O-N 3.04Å; P135-E138 PolarHBondContact O-N 3.31Å |
| 136 | E | 91 | Very high | 93.3 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -62.1 | -27.7 | 176.5 | -64.9 | 65.6 | -146 | 0 | 0 | 112.9 | Y24 H26 H27 V134 | Y24-E136 HydrophobicContact CE1-CG 4.29Å; Y24-E136 HydrophobicContact CE2-CG 4.13Å; H26-E136 IonicContact CE1-OE1 3.93Å; H26-E136 PolarHBondContact CE1-OE1 3.47Å; H26-E136 IonicContact CE1-OE2 3.51Å; H26-E136 IonicContact NE2-OE1 3Å; H26-E136 IonicContact NE2-OE2 2.73Å; H27-E136 IonicContact NE2-OE2 2.96Å; V134-E136 WeakPolarHBondContact CA-OE2 2.81Å; V134-E136 PolarHBondContact O-N 3.31Å |
| 137 | Y | 90.8 | Very high | 93.4 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 37% | 0.365 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -96.7 | 2.7 | -179.8 | -68 | -98.5 | 0 | 0 | 0 | 113.1 | Y59 L103 V134 P135 | Y59-Y137 WeakPolarHBondContact CE2-O 3.22Å; Y59-Y137 VanDerWaalsContact CZ-O 3.23Å; L103-Y137 HydrophobicContact CD1-CD2 4.39Å; L103-Y137 HydrophobicContact CD1-CG 4.36Å; L103-Y137 HydrophobicContact CD2-CD1 3.58Å; L103-Y137 HydrophobicContact CD2-CE1 3.91Å; L103-Y137 HydrophobicContact CD2-CG 3.96Å; V134-Y137 HydrophobicContact CB-CD2 3.93Å; V134-Y137 HydrophobicContact CG1-CD2 3.54Å; V134-Y137 HydrophobicContact CG1-CE2 3.75Å; V134-Y137 PolarHBondContact O-N 3.37Å; P135-Y137 PolarHBondContact O-N 3.04Å |
| 138 | E | 92.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | trans | -78 | 132.6 | 176.8 | -77.5 | -163 | 156 | 0 | 0 | 113 | S57 R58 Y59 P135 D142 T143 K146 | S57-E138 WeakPolarHBondContact CA-OE1 3.26Å; S57-E138 WeakPolarHBondContact CB-OE1 3.41Å; R58-E138 PolarHBondContact N-OE1 3.39Å; Y59-E138 HydrophobicContact CD2-CG 3.73Å; Y59-E138 HydrophobicContact CE2-CG 4.09Å; P135-E138 PolarHBondContact O-N 3.31Å; E138-D142 HydrophobicContact CB-CB 4.26Å; E138-D142 HydrophobicContact CG-CB 4.38Å; E138-T143 HydrophobicContact CB-CG2 4.01Å; E138-T143 WeakPolarHBondContact OE2-CG2 3.36Å; E138-K146 IonicContact OE1-NZ 3.73Å; E138-K146 WeakPolarHBondContact OE2-CD 3.44Å; E138-K146 WeakPolarHBondContact OE2-CE 3.41Å; E138-K146 IonicContact OE2-NZ 2.67Å; E138-K146 PolarHBondContact OE2-NZ 3.01Å | ||
| 139 | T | 94.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | trans | -73.2 | 162.8 | 173.2 | 70.7 | 0 | 0 | 0 | 0 | 112 | E141 D142 T143 | T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-N 2.67Å; T139-D142 WeakPolarHBondContact CB-OD2 3.46Å; T139-D142 WeakPolarHBondContact CG2-OD2 3.44Å; T139-D142 PolarHBondContact N-OD2 2.68Å; T139-D142 PolarHBondContact O-N 3.25Å; T139-D142 VanDerWaalsContact OG1-CG 3.23Å; T139-D142 PolarHBondContact OG1-N 3.02Å; T139-D142 PolarHBondContact OG1-OD2 2.61Å; T139-T143 PolarHBondContact O-N 3.45Å; T139-T143 PolarHBondContact O-OG1 3.27Å | ||
| 140 | V | 94.6 | Very high | 93.3 | Very high | 129 Ų | 129 | 57.2 Ų | 57.2 | 78% | 0.782 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.8 | -28.2 | 171.2 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | T143 R144 | V140-T143 WeakPolarHBondContact CA-OG1 3.07Å; V140-T143 PolarHBondContact O-OG1 2.68Å; V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 PolarHBondContact O-N 3.05Å; V140-R144 VanDerWaalsContact O-N 3.11Å |
| 141 | E | 93.3 | Very high | 93.3 | Very high | 145 Ų | 145 | 63.2 Ų | 63.2 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -75.6 | -42.8 | 176.1 | -55.6 | -161.3 | 160.3 | 0 | 0 | 112.4 | T139 T143 R144 L145 | T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-N 2.67Å; E141-T143 PolarHBondContact O-N 3.34Å; E141-R144 WeakPolarHBondContact O-CB 3.46Å; E141-R144 PolarHBondContact O-N 2.99Å; E141-L145 WeakPolarHBondContact O-CB 3.1Å; E141-L145 PolarHBondContact O-N 2.81Å |
| 142 | D | 92.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 174 | -71.8 | -58.7 | 0 | 0 | 0 | 111 | R58 E138 T139 R144 L145 K146 | R58-D142 VanDerWaalsContact CD-OD1 3.3Å; R58-D142 WeakPolarHBondContact CD-OD1 3.36Å; R58-D142 IonicContact CZ-OD1 2.68Å; R58-D142 IonicContact NE-OD1 2.69Å; R58-D142 IonicContact NH1-OD1 3.13Å; R58-D142 PolarHBondContact NH1-OD1 3Å; E138-D142 HydrophobicContact CB-CB 4.26Å; E138-D142 HydrophobicContact CG-CB 4.38Å; T139-D142 WeakPolarHBondContact CB-OD2 3.46Å; T139-D142 WeakPolarHBondContact CG2-OD2 3.44Å; T139-D142 PolarHBondContact N-OD2 2.68Å; T139-D142 PolarHBondContact O-N 3.25Å; T139-D142 VanDerWaalsContact OG1-CG 3.23Å; T139-D142 PolarHBondContact OG1-N 3.02Å; T139-D142 PolarHBondContact OG1-OD2 2.61Å; D142-R144 VanDerWaalsContact C-N 3.34Å; D142-R144 PolarHBondContact O-N 3.47Å; D142-L145 PolarHBondContact O-N 2.66Å; D142-K146 WeakPolarHBondContact O-CB 3.07Å; D142-K146 PolarHBondContact O-N 3.28Å |
| 143 | T | 92.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | E138 T139 V140 E141 L147 | E138-T143 HydrophobicContact CB-CG2 4.01Å; E138-T143 WeakPolarHBondContact OE2-CG2 3.36Å; T139-T143 PolarHBondContact O-N 3.45Å; T139-T143 PolarHBondContact O-OG1 3.27Å; V140-T143 WeakPolarHBondContact CA-OG1 3.07Å; V140-T143 PolarHBondContact O-OG1 2.68Å; E141-T143 PolarHBondContact O-N 3.34Å; T143-L147 WeakPolarHBondContact O-CB 3.31Å; T143-L147 VanDerWaalsContact O-CG 3.29Å; T143-L147 WeakPolarHBondContact O-CG 3.5Å; T143-L147 PolarHBondContact O-N 3.31Å |
| 144 | R | 94.3 | Very high | 92.8 | Very high | 163 Ų | 163 | 70.9 Ų | 70.9 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.2 | -46.4 | 173.3 | -171.8 | -178.9 | 72.7 | 112.6 | -2.4 | 111.9 | V140 E141 D142 L147 Q148 | V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 PolarHBondContact O-N 3.05Å; V140-R144 VanDerWaalsContact O-N 3.11Å; E141-R144 WeakPolarHBondContact O-CB 3.46Å; E141-R144 PolarHBondContact O-N 2.99Å; D142-R144 VanDerWaalsContact C-N 3.34Å; D142-R144 PolarHBondContact O-N 3.47Å; R144-L147 PolarHBondContact O-N 2.84Å; R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 PolarHBondContact O-N 2.82Å |
| 145 | L | 92.8 | Very high | 92.7 | Very high | 74 Ų | 74 | 72.8 Ų | 72.8 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -49 | 178.6 | 180 | 61.6 | 0 | 0 | 0 | 111.4 | E141 D142 L147 Q148 D149 | E141-L145 WeakPolarHBondContact O-CB 3.1Å; E141-L145 PolarHBondContact O-N 2.81Å; D142-L145 PolarHBondContact O-N 2.66Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 2.71Å; L145-Q148 CarbonylContact O-C 3.56Å; L145-Q148 WeakPolarHBondContact O-CA 3.39Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 3.23Å; L145-D149 PolarHBondContact O-N 3.34Å |
| 146 | K | 92.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 78.3 Ų | 78.3 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -49.9 | -45.1 | 173.1 | 169.5 | -177.2 | 180 | -178 | 0 | 112.6 | I53 N54 E56 L109 E138 D142 R150 | I53-K146 WeakPolarHBondContact O-CE 3.12Å; I53-K146 PolarHBondContact O-NZ 3.44Å; N54-K146 PolarHBondContact O-NZ 3.12Å; E56-K146 WeakPolarHBondContact O-CE 3.48Å; E56-K146 PolarHBondContact O-NZ 3.29Å; L109-K146 HydrophobicContact CD2-CG 4.19Å; E138-K146 IonicContact OE1-NZ 3.73Å; E138-K146 WeakPolarHBondContact OE2-CD 3.44Å; E138-K146 WeakPolarHBondContact OE2-CE 3.41Å; E138-K146 IonicContact OE2-NZ 2.67Å; E138-K146 PolarHBondContact OE2-NZ 3.01Å; D142-K146 WeakPolarHBondContact O-CB 3.07Å; D142-K146 PolarHBondContact O-N 3.28Å; K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 PolarHBondContact O-N 2.94Å; K146-R150 VanDerWaalsContact O-N 3.11Å |
| 147 | L | 93.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 75.3 Ų | 75.3 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 175.2 | -69.9 | 173.9 | 0 | 0 | 0 | 112.8 | I53 T143 R144 L145 R150 R151 | I53-L147 HydrophobicContact CG2-CD2 4.17Å; T143-L147 WeakPolarHBondContact O-CB 3.31Å; T143-L147 VanDerWaalsContact O-CG 3.29Å; T143-L147 WeakPolarHBondContact O-CG 3.5Å; T143-L147 PolarHBondContact O-N 3.31Å; R144-L147 PolarHBondContact O-N 2.84Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 2.71Å; L147-R150 PolarHBondContact O-N 3.24Å; L147-R151 WeakPolarHBondContact O-CG 3.24Å; L147-R151 PolarHBondContact O-N 3.44Å |
| 148 | Q | 93.7 | Very high | 92.6 | Very high | 88 Ų | 88 | 73.6 Ų | 73.6 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.8 | 178.7 | 166.3 | -28.6 | 0 | 0 | 112.6 | R144 L145 R150 R151 S152 | R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 PolarHBondContact O-N 2.82Å; L145-Q148 CarbonylContact O-C 3.56Å; L145-Q148 WeakPolarHBondContact O-CA 3.39Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 3.23Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.03Å; Q148-R151 PolarHBondContact O-N 3.46Å; Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.9Å; Q148-S152 PolarHBondContact O-OG 3.18Å |
| 149 | D | 91.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 80 Ų | 80 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 172.4 | -93.4 | -6.2 | 0 | 0 | 0 | 111.1 | L145 S152 Y153 | L145-D149 PolarHBondContact O-N 3.34Å; D149-S152 PolarHBondContact O-N 3.45Å; D149-Y153 WeakPolarHBondContact O-CB 3.3Å; D149-Y153 PolarHBondContact O-N 3Å |
| 150 | R | 91.5 | Very high | 92.3 | Very high | 62 Ų | 62 | 79.8 Ų | 79.8 | 23% | 0.234 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 177.2 | -179.3 | 56.6 | -178.7 | 163.5 | 3.6 | 112.3 | I53 K146 L147 Q148 S152 Y153 I154 | I53-R150 HydrophobicContact CD1-CG 3.76Å; I53-R150 HydrophobicContact CG1-CG 4.06Å; I53-R150 HydrophobicContact CG2-CB 4.5Å; I53-R150 HydrophobicContact CG2-CG 4.35Å; K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 PolarHBondContact O-N 2.94Å; K146-R150 VanDerWaalsContact O-N 3.11Å; L147-R150 PolarHBondContact O-N 3.24Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.03Å; R150-S152 VanDerWaalsContact C-N 3.33Å; R150-S152 PolarHBondContact O-N 2.88Å; R150-Y153 PolarHBondContact O-N 3.17Å; R150-I154 HydrophobicContact CG-CD1 4.05Å; R150-I154 VanDerWaalsContact O-CG1 3.27Å; R150-I154 WeakPolarHBondContact O-CG1 3.47Å; R150-I154 PolarHBondContact O-N 2.98Å |
| 151 | R | 94 | Very high | 92 | Very high | 145 Ų | 145 | 81.8 Ų | 81.8 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 172.6 | -73.2 | -172.4 | -59.6 | -100.2 | 3.2 | 111.1 | L147 Q148 I154 A155 | L147-R151 WeakPolarHBondContact O-CG 3.24Å; L147-R151 PolarHBondContact O-N 3.44Å; Q148-R151 PolarHBondContact O-N 3.46Å; R151-I154 PolarHBondContact O-N 2.87Å; R151-A155 WeakPolarHBondContact O-CB 3.36Å; R151-A155 PolarHBondContact O-N 3.4Å |
| 152 | S | 92.3 | Very high | 91.9 | Very high | 45 Ų | 45 | 76.7 Ų | 76.7 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | Q148 D149 R150 A155 R156 | Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.9Å; Q148-S152 PolarHBondContact O-OG 3.18Å; D149-S152 PolarHBondContact O-N 3.45Å; R150-S152 VanDerWaalsContact C-N 3.33Å; R150-S152 PolarHBondContact O-N 2.88Å; S152-A155 PolarHBondContact O-N 3.01Å; S152-R156 WeakPolarHBondContact O-CG 3.27Å; S152-R156 PolarHBondContact O-N 3.42Å |
| 153 | Y | 90.7 | Very high | 91.8 | Very high | 40 Ų | 40 | 83 Ų | 83 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 173.5 | 178.1 | -92.8 | 0 | 0 | 0 | 111.8 | D149 R150 A155 R156 A157 G241 | D149-Y153 WeakPolarHBondContact O-CB 3.3Å; D149-Y153 PolarHBondContact O-N 3Å; R150-Y153 PolarHBondContact O-N 3.17Å; Y153-A155 VanDerWaalsContact C-N 3.33Å; Y153-A155 PolarHBondContact O-N 2.86Å; Y153-R156 PolarHBondContact O-N 3.13Å; Y153-A157 HydrophobicContact CE1-CB 4.19Å; Y153-A157 VanDerWaalsContact O-CB 3.32Å; Y153-A157 WeakPolarHBondContact O-CB 3.29Å; Y153-A157 PolarHBondContact O-N 3.46Å; Y153-G241 PolarHBondContact OH-N 3.27Å |
| 154 | I | 91.7 | Very high | 91.6 | Very high | 83 Ų | 83 | 86.6 Ų | 86.6 | 43% | 0.426 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 176.7 | -68.6 | 163.9 | 0 | 0 | 0 | 110.3 | R150 R151 R156 A157 A158 | R150-I154 HydrophobicContact CG-CD1 4.05Å; R150-I154 VanDerWaalsContact O-CG1 3.27Å; R150-I154 WeakPolarHBondContact O-CG1 3.47Å; R150-I154 PolarHBondContact O-N 2.98Å; R151-I154 PolarHBondContact O-N 2.87Å; I154-R156 PolarHBondContact O-N 3.05Å; I154-A157 PolarHBondContact O-N 3.42Å; I154-A158 WeakPolarHBondContact O-CB 3.35Å; I154-A158 PolarHBondContact O-N 2.9Å |
| 155 | A | 93.5 | Very high | 91.2 | Very high | 40 Ų | 40 | 86.8 Ų | 86.8 | 33% | 0.331 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R151 S152 Y153 R159 | R151-A155 WeakPolarHBondContact O-CB 3.36Å; R151-A155 PolarHBondContact O-N 3.4Å; S152-A155 PolarHBondContact O-N 3.01Å; Y153-A155 VanDerWaalsContact C-N 3.33Å; Y153-A155 PolarHBondContact O-N 2.86Å; A155-R159 WeakPolarHBondContact O-CG 3.38Å; A155-R159 PolarHBondContact O-N 3.05Å; A155-R159 PolarHBondContact O-NE 3.1Å |
| 156 | R | 91.6 | Very high | 91 | Very high | 147 Ų | 147 | 88.4 Ų | 88.4 | 56% | 0.555 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.4 | -48.2 | 171.4 | -70.8 | -167.4 | -58.8 | -100.8 | 7.3 | 111.5 | S152 Y153 I154 A158 R159 S160 | S152-R156 WeakPolarHBondContact O-CG 3.27Å; S152-R156 PolarHBondContact O-N 3.42Å; Y153-R156 PolarHBondContact O-N 3.13Å; I154-R156 PolarHBondContact O-N 3.05Å; R156-A158 PolarHBondContact O-N 3.36Å; R156-R159 PolarHBondContact O-N 3.46Å; R156-S160 PolarHBondContact O-N 3.16Å; R156-S160 PolarHBondContact O-OG 3.49Å |
| 157 | A | 89.2 | Confident | 90.5 | Very high | 18 Ų | 18 | 95 Ų | 95 | 15% | 0.149 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68 | -30.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y153 I154 S160 R161 | Y153-A157 HydrophobicContact CE1-CB 4.19Å; Y153-A157 VanDerWaalsContact O-CB 3.32Å; Y153-A157 WeakPolarHBondContact O-CB 3.29Å; Y153-A157 PolarHBondContact O-N 3.46Å; I154-A157 PolarHBondContact O-N 3.42Å; A157-S160 WeakPolarHBondContact CA-OG 3.38Å; A157-S160 PolarHBondContact O-OG 3.39Å; A157-R161 WeakPolarHBondContact O-CB 3.4Å; A157-R161 WeakPolarHBondContact O-CD 3.22Å; A157-R161 WeakPolarHBondContact O-CG 3.38Å; A157-R161 PolarHBondContact O-N 3.11Å |
| 158 | A | 91.9 | Very high | 89.8 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.8 | -48.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | I154 R156 S160 R161 A162 | I154-A158 WeakPolarHBondContact O-CB 3.35Å; I154-A158 PolarHBondContact O-N 2.9Å; R156-A158 PolarHBondContact O-N 3.36Å; A158-S160 PolarHBondContact O-N 3.5Å; A158-R161 PolarHBondContact O-N 2.91Å; A158-A162 PolarHBondContact O-N 3.04Å |
| 159 | R | 92.8 | Very high | 89 | Confident | 157 Ų | 157 | 95.5 Ų | 95.5 | 59% | 0.592 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.3 | -36.3 | 178.7 | -72.9 | 177.4 | -69.4 | -163.5 | 2.4 | 113 | A155 R156 K163 | A155-R159 WeakPolarHBondContact O-CG 3.38Å; A155-R159 PolarHBondContact O-N 3.05Å; A155-R159 PolarHBondContact O-NE 3.1Å; R156-R159 PolarHBondContact O-N 3.46Å; R159-K163 WeakPolarHBondContact O-CG 3.41Å; R159-K163 PolarHBondContact O-N 3.13Å; R159-K163 VanDerWaalsContact O-N 3.14Å |
| 160 | S | 88.1 | Confident | 88.1 | Confident | 58 Ų | 58 | 94.2 Ų | 94.2 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 175 | 63 | 0 | 0 | 0 | 0 | 112.8 | R156 A157 A158 Q164 | R156-S160 PolarHBondContact O-N 3.16Å; R156-S160 PolarHBondContact O-OG 3.49Å; A157-S160 WeakPolarHBondContact CA-OG 3.38Å; A157-S160 PolarHBondContact O-OG 3.39Å; A158-S160 PolarHBondContact O-N 3.5Å; S160-Q164 VanDerWaalsContact O-CG 3.29Å; S160-Q164 WeakPolarHBondContact O-CG 3.38Å; S160-Q164 PolarHBondContact O-N 2.96Å; S160-Q164 VanDerWaalsContact O-N 3.09Å |
| 161 | R | 89.1 | Confident | 87 | Confident | 171 Ų | 171 | 95.3 Ų | 95.3 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.2 | -39 | 173.3 | -74.1 | 171.6 | -176.5 | -169 | 2.2 | 113 | A157 A158 Q164 R165 | A157-R161 WeakPolarHBondContact O-CB 3.4Å; A157-R161 WeakPolarHBondContact O-CD 3.22Å; A157-R161 WeakPolarHBondContact O-CG 3.38Å; A157-R161 PolarHBondContact O-N 3.11Å; A158-R161 PolarHBondContact O-N 2.91Å; R161-Q164 PolarHBondContact O-N 3.38Å; R161-R165 PolarHBondContact O-N 2.76Å; R161-R165 VanDerWaalsContact O-N 3.09Å |
| 162 | A | 90.4 | Very high | 85.4 | Confident | 39 Ų | 39 | 94.3 Ų | 94.3 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.6 | -53.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A158 Q164 R165 E166 | A158-A162 PolarHBondContact O-N 3.04Å; A162-Q164 PolarHBondContact O-N 2.92Å; A162-R165 WeakPolarHBondContact O-CB 3.23Å; A162-R165 PolarHBondContact O-N 2.67Å; A162-E166 WeakPolarHBondContact O-CG 3.43Å; A162-E166 PolarHBondContact O-N 3Å |
| 163 | K | 90.3 | Very high | 83.8 | Confident | 138 Ų | 138 | 98.3 Ų | 98.3 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.7 | -13.3 | 175.7 | -68.4 | -170.2 | 174.9 | -161.6 | 0 | 115.7 | R159 E166 K167 | R159-K163 WeakPolarHBondContact O-CG 3.41Å; R159-K163 PolarHBondContact O-N 3.13Å; R159-K163 VanDerWaalsContact O-N 3.14Å; K163-E166 WeakPolarHBondContact CA-OE2 3.46Å; K163-K167 WeakPolarHBondContact O-CD 3.21Å; K163-K167 VanDerWaalsContact O-CG 3.27Å; K163-K167 WeakPolarHBondContact O-CG 3.45Å |
| 164 | Q | 87.4 | Confident | 82.2 | Confident | 126 Ų | 126 | 100.3 Ų | 100.3 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -86.3 | -38.8 | 170.6 | -79.6 | 172.2 | -10.5 | 0 | 0 | 111.5 | S160 R161 A162 K167 T168 | S160-Q164 VanDerWaalsContact O-CG 3.29Å; S160-Q164 WeakPolarHBondContact O-CG 3.38Å; S160-Q164 PolarHBondContact O-N 2.96Å; S160-Q164 VanDerWaalsContact O-N 3.09Å; R161-Q164 PolarHBondContact O-N 3.38Å; A162-Q164 PolarHBondContact O-N 2.92Å; Q164-K167 PolarHBondContact O-N 3.41Å; Q164-T168 PolarHBondContact O-N 2.66Å; Q164-T168 PolarHBondContact O-OG1 2.95Å |
| 165 | R | 87.4 | Confident | 80.5 | Confident | 168 Ų | 168 | 101.7 Ų | 101.7 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -52.9 | 174.7 | -75 | 179.8 | 177.5 | -172.5 | -5.7 | 112 | R161 A162 K167 T168 E169 | R161-R165 PolarHBondContact O-N 2.76Å; R161-R165 VanDerWaalsContact O-N 3.09Å; A162-R165 WeakPolarHBondContact O-CB 3.23Å; A162-R165 PolarHBondContact O-N 2.67Å; R165-K167 PolarHBondContact O-N 2.73Å; R165-T168 WeakPolarHBondContact CA-OG1 3.5Å; R165-T168 PolarHBondContact O-N 2.68Å; R165-T168 PolarHBondContact O-OG1 3.12Å; R165-E169 VanDerWaalsContact C-OE2 3.31Å; R165-E169 WeakPolarHBondContact CB-OE1 3.19Å; R165-E169 WeakPolarHBondContact O-CB 3.5Å; R165-E169 VanDerWaalsContact O-CD 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.27Å; R165-E169 PolarHBondContact O-N 3.01Å |
| 166 | E | 86.8 | Confident | 78.7 | Confident | 107 Ų | 107 | 105 Ų | 105 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -48.8 | -40.1 | 175 | -67.2 | 155.9 | -153.2 | 0 | 0 | 111.5 | A162 K163 E169 A170 | A162-E166 WeakPolarHBondContact O-CG 3.43Å; A162-E166 PolarHBondContact O-N 3Å; K163-E166 WeakPolarHBondContact CA-OE2 3.46Å; E166-E169 PolarHBondContact N-OE2 3.32Å; E166-A170 VanDerWaalsContact O-CB 3.28Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.41Å |
| 167 | K | 83.4 | Confident | 77 | Confident | 150 Ų | 150 | 105.1 Ų | 105.1 | 65% | 0.652 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.9 | -39.2 | 177.8 | -73.9 | -176.5 | 178.9 | -161.5 | 0 | 113.7 | K163 Q164 R165 T171 | K163-K167 WeakPolarHBondContact O-CD 3.21Å; K163-K167 VanDerWaalsContact O-CG 3.27Å; K163-K167 WeakPolarHBondContact O-CG 3.45Å; Q164-K167 PolarHBondContact O-N 3.41Å; R165-K167 PolarHBondContact O-N 2.73Å; K167-T171 WeakPolarHBondContact O-CB 3.47Å; K167-T171 PolarHBondContact O-N 3.44Å; K167-T171 PolarHBondContact O-OG1 3.33Å |
| 168 | T | 78.4 | Confident | 75.2 | Confident | 78 Ų | 78 | 108.3 Ų | 108.3 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.4 | -37.1 | 174.9 | 44.7 | 0 | 0 | 0 | 0 | 112 | Q164 R165 T171 Q172 | Q164-T168 PolarHBondContact O-N 2.66Å; Q164-T168 PolarHBondContact O-OG1 2.95Å; R165-T168 WeakPolarHBondContact CA-OG1 3.5Å; R165-T168 PolarHBondContact O-N 2.68Å; R165-T168 PolarHBondContact O-OG1 3.12Å; T168-T171 PolarHBondContact O-N 3.35Å; T168-Q172 WeakPolarHBondContact O-CG 3.35Å; T168-Q172 PolarHBondContact O-N 2.9Å |
| 169 | E | 77.5 | Confident | 73 | Confident | 96 Ų | 96 | 113.8 Ų | 113.8 | 45% | 0.449 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -53.3 | 177.6 | -72.1 | 146 | -164.7 | 0 | 0 | 109.9 | R165 E166 T171 Q172 E173 | R165-E169 VanDerWaalsContact C-OE2 3.31Å; R165-E169 WeakPolarHBondContact CB-OE1 3.19Å; R165-E169 WeakPolarHBondContact O-CB 3.5Å; R165-E169 VanDerWaalsContact O-CD 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.27Å; R165-E169 PolarHBondContact O-N 3.01Å; E166-E169 PolarHBondContact N-OE2 3.32Å; E169-T171 VanDerWaalsContact C-N 3.25Å; E169-T171 PolarHBondContact O-N 3.12Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.25Å; E169-Q172 PolarHBondContact O-N 2.94Å; E169-E173 PolarHBondContact O-N 3.09Å |
| 170 | A | 71.8 | Confident | 70.5 | Confident | 53 Ų | 53 | 110 Ų | 110 | 44% | 0.438 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.5 | -27.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E166 S174 | E166-A170 VanDerWaalsContact O-CB 3.28Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.41Å; A170-S174 VanDerWaalsContact O-CB 3.27Å; A170-S174 WeakPolarHBondContact O-CB 3.35Å; A170-S174 PolarHBondContact O-N 3.43Å; A170-S174 VanDerWaalsContact O-N 3.11Å |
| 171 | T | 68.3 | Low | 68.2 | Low | 85 Ų | 85 | 113.1 Ų | 113.1 | 52% | 0.521 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.9 | -34 | 173 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | K167 T168 E169 L175 | K167-T171 WeakPolarHBondContact O-CB 3.47Å; K167-T171 PolarHBondContact O-N 3.44Å; K167-T171 PolarHBondContact O-OG1 3.33Å; T168-T171 PolarHBondContact O-N 3.35Å; E169-T171 VanDerWaalsContact C-N 3.25Å; E169-T171 PolarHBondContact O-N 3.12Å; T171-L175 HydrophobicContact CG2-CD1 4.49Å; T171-L175 WeakPolarHBondContact O-CG 3.4Å; T171-L175 PolarHBondContact O-N 3.35Å |
| 172 | Q | 60.7 | Low | 65.8 | Low | 125 Ų | 125 | 112 Ų | 112 | 58% | 0.584 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.8 | -43.2 | 175.6 | -74.4 | 171.6 | -10 | 0 | 0 | 111.4 | T168 E169 S174 L175 V176 | T168-Q172 WeakPolarHBondContact O-CG 3.35Å; T168-Q172 PolarHBondContact O-N 2.9Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.25Å; E169-Q172 PolarHBondContact O-N 2.94Å; Q172-S174 VanDerWaalsContact C-N 3.32Å; Q172-S174 PolarHBondContact O-N 3.16Å; Q172-L175 PolarHBondContact O-N 3.33Å; Q172-V176 WeakPolarHBondContact O-CG2 3.32Å; Q172-V176 PolarHBondContact O-N 3.34Å |
| 173 | E | 58.5 | Low | 63.3 | Low | 129 Ų | 129 | 115.2 Ų | 115.2 | 60% | 0.603 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -58.7 | -43 | 173.7 | -68.9 | 172.7 | 171.5 | 0 | 0 | 111.8 | E169 L175 V176 L177 | E169-E173 PolarHBondContact O-N 3.09Å; E173-L175 VanDerWaalsContact C-N 3.32Å; E173-L175 PolarHBondContact O-N 3.41Å; E173-V176 PolarHBondContact O-N 2.94Å; E173-L177 WeakPolarHBondContact O-CG 3.4Å; E173-L177 PolarHBondContact O-N 3.24Å; E173-L177 VanDerWaalsContact O-N 3.12Å |
| 174 | S | 57.2 | Low | 60.9 | Low | 82 Ų | 82 | 114 Ų | 114 | 57% | 0.573 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.8 | -35.6 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | A170 Q172 | A170-S174 VanDerWaalsContact O-CB 3.27Å; A170-S174 WeakPolarHBondContact O-CB 3.35Å; A170-S174 PolarHBondContact O-N 3.43Å; A170-S174 VanDerWaalsContact O-N 3.11Å; Q172-S174 VanDerWaalsContact C-N 3.32Å; Q172-S174 PolarHBondContact O-N 3.16Å |
| 175 | L | 56.3 | Low | 58.5 | Low | 111 Ų | 111 | 113.8 Ų | 113.8 | 58% | 0.581 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.6 | -43 | 175.1 | -74.9 | 165.2 | 0 | 0 | 0 | 112.1 | T171 Q172 E173 L177 S178 | T171-L175 HydrophobicContact CG2-CD1 4.49Å; T171-L175 WeakPolarHBondContact O-CG 3.4Å; T171-L175 PolarHBondContact O-N 3.35Å; Q172-L175 PolarHBondContact O-N 3.33Å; E173-L175 VanDerWaalsContact C-N 3.32Å; E173-L175 PolarHBondContact O-N 3.41Å; L175-L177 PolarHBondContact O-N 3.41Å; L175-S178 PolarHBondContact O-N 3.2Å; L175-S178 PolarHBondContact O-OG 3.12Å |
| 176 | V | 55.4 | Low | 56.3 | Low | 109 Ų | 109 | 114 Ų | 114 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.9 | -32.4 | 179.3 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | Q172 E173 S178 | Q172-V176 WeakPolarHBondContact O-CG2 3.32Å; Q172-V176 PolarHBondContact O-N 3.34Å; E173-V176 PolarHBondContact O-N 2.94Å; V176-S178 PolarHBondContact O-N 3.04Å |
| 177 | L | 55.2 | Low | 53.8 | Low | 150 Ų | 150 | 116.8 Ų | 116.8 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -7.1 | 174.5 | -71.4 | 171 | 0 | 0 | 0 | 114.4 | E173 L175 | E173-L177 WeakPolarHBondContact O-CG 3.4Å; E173-L177 PolarHBondContact O-N 3.24Å; E173-L177 VanDerWaalsContact O-N 3.12Å; L175-L177 PolarHBondContact O-N 3.41Å |
| 178 | S | 51.3 | Low | 51.4 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -6.6 | -179.2 | 69.5 | 0 | 0 | 0 | 0 | 115.2 | L175 V176 | L175-S178 PolarHBondContact O-N 3.2Å; L175-S178 PolarHBondContact O-OG 3.12Å; V176-S178 PolarHBondContact O-N 3.04Å |
| 179 | E | 46.3 | Very low | 49 | Very low | 172 Ų | 172 | 117.3 Ų | 117.3 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -106.4 | 32.3 | -178.9 | -63.2 | -167.7 | 153.3 | 0 | 0 | 113.4 | P181 | E179-P181 WeakPolarHBondContact O-CD 3.26Š| ||
| 180 | A | 41.1 | Very low | 46.6 | Very low | 78 Ų | 78 | 117.6 Ų | 117.6 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 117.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T182 | A180-T182 PolarHBondContact O-N 3.28Š|
| 181 | P | 39.4 | Very low | 44.7 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 117.5 | 176.8 | 30.7 | -33.1 | 0 | 0 | 0 | 111.6 | E179 S183 | E179-P181 WeakPolarHBondContact O-CD 3.26Å; P181-S183 PolarHBondContact O-N 2.82Å |
| 182 | T | 38.1 | Very low | 42.8 | Very low | 146 Ų | 146 | 125 Ų | 125 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.3 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | A180 | A180-T182 PolarHBondContact O-N 3.28Š|
| 183 | S | 37.7 | Very low | 41.6 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -152.9 | 124.9 | 164 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | P181 | P181-S183 PolarHBondContact O-N 2.82Š| ||
| 184 | S | 41 | Very low | 40.2 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 55.4 | 109.5 | 165.2 | -152.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 185 | D | 35.9 | Very low | 39 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | 57.1 | 123.2 | 63.3 | -160.5 | 43.3 | 0 | 0 | 0 | 111.4 | |||||
| 186 | K | 42.6 | Very low | 37.9 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | cis | -124.6 | -161.3 | 28.5 | -72.5 | 175.8 | 179.4 | -179.3 | 0 | 111.6 | ||||
| 187 | I | 34.7 | Very low | 36.9 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | cis | -147.2 | 157.4 | 26.9 | -68 | 175.5 | 0 | 0 | 0 | 111.7 | ||||
| 188 | S | 31.2 | Very low | 36 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -79.9 | 168.1 | -171.5 | -31.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 189 | T | 28.3 | Very low | 35.1 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | -177.3 | 125.5 | 119.4 | -77.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 190 | S | 28.7 | Very low | 34.5 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 56.2 | 131.3 | 157.8 | -160.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 191 | R | 31.6 | Very low | 34 | Very low | 236 Ų | 236 | 130.2 Ų | 130.2 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | cis | -162.2 | 167.3 | 5.5 | -123.7 | 171.4 | 173.9 | 165 | -1.9 | 106.4 | ||||
| 192 | G | 28.5 | Very low | 33.7 | Very low | 59 Ų | 59 | 133.2 Ų | 133.2 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | cis | 133 | 141.3 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 193 | I | 34.5 | Very low | 33.5 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | 75.9 | 125.7 | -178 | -58.5 | 170.6 | 0 | 0 | 0 | 113.3 | ||||
| 194 | T | 28.8 | Very low | 33.6 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | cis | -169.5 | 175.7 | -7.2 | 26.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 195 | S | 33.1 | Very low | 33.4 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | 171.9 | 165.5 | -30.1 | 69 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 196 | R | 32.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | -163.5 | 161.6 | 6.7 | -175.1 | -172.1 | 170.3 | -89.2 | -0.7 | 106.9 | E198 | R196-E198 IonicContact CZ-OE1 2.61Å; R196-E198 VanDerWaalsContact NH1-CD 3.33Å; R196-E198 VanDerWaalsContact NH1-CG 3.32Å; R196-E198 IonicContact NH1-OE1 2.68Å; R196-E198 PolarHBondContact NH1-OE1 3.49Å; R196-E198 IonicContact NH2-OE1 3.73Å; R196-E198 PolarHBondContact NH2-OE1 2.97Å | ||
| 197 | N | 34.4 | Very low | 33.3 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | trans | 144.9 | 114 | 141.4 | -73.3 | -2.7 | 0 | 0 | 0 | 111.6 | ||||
| 198 | E | 35.5 | Very low | 33.7 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | 93.3 | 138.3 | 85.1 | -64.5 | -123.4 | 148.9 | 0 | 0 | 112.6 | R196 | R196-E198 IonicContact CZ-OE1 2.61Å; R196-E198 VanDerWaalsContact NH1-CD 3.33Å; R196-E198 VanDerWaalsContact NH1-CG 3.32Å; R196-E198 IonicContact NH1-OE1 2.68Å; R196-E198 PolarHBondContact NH1-OE1 3.49Å; R196-E198 IonicContact NH2-OE1 3.73Å; R196-E198 PolarHBondContact NH2-OE1 2.97Å | |||
| 199 | D | 33.3 | Very low | 34.2 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | -165.7 | 174.9 | -20.2 | -159.8 | 8.1 | 0 | 0 | 0 | 110.6 | ||||
| 200 | T | 33.4 | Very low | 35.4 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 66.9 | 127.8 | 169.3 | -50.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 201 | G | 29.8 | Very low | 36.4 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 118.6 | 151.9 | 57.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 202 | E | 34.1 | Very low | 37.7 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | cis | -152.3 | 176.8 | 6.8 | -58 | -172.8 | 124.4 | 0 | 0 | 111.8 | ||||
| 203 | A | 33.9 | Very low | 39.3 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | 56.9 | 124.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 204 | L | 39.6 | Very low | 40.6 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -69.6 | 152.3 | 168.4 | -57.1 | 160.6 | 0 | 0 | 0 | 113.1 | ||||
| 205 | S | 36 | Very low | 42 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -157.3 | 139.8 | 128.1 | -163.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 206 | L | 40.5 | Very low | 43.3 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | -117.1 | 116.4 | 179.6 | 173 | 68.3 | 0 | 0 | 0 | 109.2 | ||||
| 207 | S | 36.5 | Very low | 44.3 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -123.3 | 115.1 | 165.8 | 54.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 208 | H | 43.4 | Very low | 45.2 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -98.9 | 97.3 | -170.4 | -166.5 | -61.4 | 0 | 0 | 0 | 110.1 | ||||
| 209 | Y | 41 | Very low | 45.8 | Very low | 223 Ų | 223 | 139.8 Ų | 139.8 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -123.2 | 125.9 | 167.8 | -92.3 | -84.3 | 0 | 0 | 0 | 110.9 | E211 | Y209-E211 PolarHBondContact O-N 3.26Š| ||
| 210 | S | 53.5 | Low | 46.5 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -88.5 | 96.8 | -175.3 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 211 | E | 50.8 | Low | 47 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -110.7 | 141.1 | 162.4 | -67.6 | -165 | 128.2 | 0 | 0 | 110.1 | Y209 | Y209-E211 PolarHBondContact O-N 3.26Š| ||
| 212 | F | 58 | Low | 47.5 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144 | 179.3 | -68.1 | -93.4 | 0 | 0 | 0 | 110 | ||
| 213 | P | 62.7 | Low | 47.4 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.1 | 175.7 | 25.2 | -33.8 | 0 | 0 | 0 | 109.3 | L215 | P213-L215 PolarHBondContact O-N 2.93Š|
| 214 | P | 60.8 | Low | 47.4 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.1 | 178.9 | 24.7 | -33.3 | 0 | 0 | 0 | 109.2 | ||
| 215 | L | 58.4 | Low | 47.3 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 139.6 | 176.9 | -67.5 | 176.3 | 0 | 0 | 0 | 109.5 | P213 L217 | P213-L215 PolarHBondContact O-N 2.93Å; L215-L217 PolarHBondContact O-N 3.43Å |
| 216 | P | 61.7 | Low | 47.2 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 134.3 | -179.3 | 24.3 | -34 | 0 | 0 | 0 | 109.8 | ||
| 217 | L | 52.8 | Low | 46.9 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 137.9 | 177.6 | -68.7 | 173 | 0 | 0 | 0 | 109.6 | L215 | L215-L217 PolarHBondContact O-N 3.43Š|
| 218 | P | 53.9 | Low | 46.7 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.3 | 179.8 | 24.9 | -34.3 | 0 | 0 | 0 | 109.2 | Q220 | P218-Q220 PolarHBondContact O-N 3.38Š|
| 219 | P | 47.8 | Very low | 46.4 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -51.9 | 108.6 | -171.6 | -29.4 | 35.6 | 0 | 0 | 0 | 111.8 | E221 | P219-E221 PolarHBondContact O-N 2.82Š| ||
| 220 | Q | 47.8 | Very low | 46.1 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 104.2 | 177 | -175.3 | 167.8 | 3.1 | 0 | 0 | 107 | P218 H222 | P218-Q220 PolarHBondContact O-N 3.38Å; Q220-H222 PolarHBondContact O-CD2 2.98Å; Q220-H222 PolarHBondContact O-N 2.79Å | ||
| 221 | E | 44 | Very low | 45.2 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 81.6 | 177.5 | -74.6 | -161.2 | -179.6 | 0 | 0 | 109.9 | P219 C223 | P219-E221 PolarHBondContact O-N 2.82Å; E221-C223 PolarHBondContact O-N 2.81Å | ||
| 222 | H | 40.9 | Very low | 44.3 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -63.3 | 80.4 | 154.9 | -72.1 | -76.8 | 0 | 0 | 0 | 107.5 | Q220 S224 | Q220-H222 PolarHBondContact O-CD2 2.98Å; Q220-H222 PolarHBondContact O-N 2.79Å; H222-S224 PolarHBondContact O-N 3.39Å | ||
| 223 | C | 32.2 | Very low | 43.6 | Very low | 98 Ų | 98 | 155.2 Ų | 155.2 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -60 | 75.5 | 164.4 | -86.7 | 0 | 0 | 0 | 0 | 108.6 | E221 F225 | E221-C223 PolarHBondContact O-N 2.81Å; C223-F225 VanDerWaalsContact C-N 3.29Å; C223-F225 PolarHBondContact O-N 3.47Å | ||
| 224 | S | 32.5 | Very low | 42.5 | Very low | 107 Ų | 107 | 155.4 Ų | 155.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -55.1 | 101.4 | 161.5 | 48.9 | 0 | 0 | 0 | 0 | 105.9 | H222 R226 | H222-S224 PolarHBondContact O-N 3.39Å; S224-R226 PolarHBondContact O-N 2.84Å | ||
| 225 | F | 38.8 | Very low | 41.8 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -73.4 | 76.6 | -173.1 | -163 | -88.1 | 0 | 0 | 0 | 108 | C223 Q227 | C223-F225 VanDerWaalsContact C-N 3.29Å; C223-F225 PolarHBondContact O-N 3.47Å; F225-Q227 VanDerWaalsContact C-N 3.29Å; F225-Q227 PolarHBondContact O-N 3.35Å | ||
| 226 | R | 32.8 | Very low | 41.2 | Very low | 226 Ų | 226 | 151.5 Ų | 151.5 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -64.5 | 92.5 | -173.1 | -172.1 | -179.5 | -174.2 | -174 | 4.9 | 107.9 | S224 K228 | S224-R226 PolarHBondContact O-N 2.84Å; R226-K228 PolarHBondContact O-N 2.74Å; R226-K228 VanDerWaalsContact O-N 3.15Å | ||
| 227 | Q | 34 | Very low | 40.9 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | -45.9 | 124.8 | 171.1 | -72.6 | -175.5 | -17.9 | 0 | 0 | 107.3 | F225 S229 | F225-Q227 VanDerWaalsContact C-N 3.29Å; F225-Q227 PolarHBondContact O-N 3.35Å; Q227-S229 PolarHBondContact O-N 2.69Å | ||
| 228 | K | 33.6 | Very low | 41.2 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | trans | -80.5 | 59.3 | -172.1 | -70.6 | 175.5 | -178.7 | 165.3 | 0 | 110.1 | R226 H230 | R226-K228 PolarHBondContact O-N 2.74Å; R226-K228 VanDerWaalsContact O-N 3.15Å; K228-H230 PolarHBondContact O-N 2.7Å | ||
| 229 | S | 36.3 | Very low | 41.5 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | -53.5 | 102.4 | 165.2 | -55 | 0 | 0 | 0 | 0 | 107.9 | Q227 R231 | Q227-S229 PolarHBondContact O-N 2.69Å; S229-R231 PolarHBondContact O-N 3.16Å | ||
| 230 | H | 36.2 | Very low | 42 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 83% | 0.833 | 70% | 0.702 | S | S | * | * | trans | 16.3 | 95.3 | 177.8 | -53.4 | -82.3 | 0 | 0 | 0 | 115.6 | K228 R232 | K228-H230 PolarHBondContact O-N 2.7Å; H230-R232 PolarHBondContact O-N 3.36Å | ||
| 231 | R | 33.8 | Very low | 42.5 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 68% | 0.676 | S | S | * | * | trans | -56.9 | 102.7 | 159.6 | -94.9 | -167.3 | 174.1 | -166.2 | -0.8 | 107.9 | S229 L233 | S229-R231 PolarHBondContact O-N 3.16Å; R231-L233 PolarHBondContact O-N 3.28Å | ||
| 232 | R | 32.6 | Very low | 43.2 | Very low | 225 Ų | 225 | 131 Ų | 131 | 85% | 0.849 | 64% | 0.639 | S | S | * | * | trans | -51.4 | 113 | 167.6 | 177.6 | 178.8 | -75.9 | -153.5 | -3 | 107.6 | H230 V234 | H230-R232 PolarHBondContact O-N 3.36Å; R232-V234 PolarHBondContact O-N 3.04Å | ||
| 233 | L | 43.3 | Very low | 43.9 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | trans | -65.6 | 101.6 | 170.9 | -75.6 | 167.2 | 0 | 0 | 0 | 107.2 | R231 P235 | R231-L233 PolarHBondContact O-N 3.28Å; L233-P235 WeakPolarHBondContact O-CD 3.4Å | ||
| 234 | V | 39.7 | Very low | 44.3 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | trans | -67.1 | 122.5 | 169.6 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | R232 T236 | R232-V234 PolarHBondContact O-N 3.04Å; V234-T236 PolarHBondContact O-N 2.99Å | ||
| 235 | P | 45.2 | Very low | 44.7 | Very low | 71 Ų | 71 | 127 Ų | 127 | 46% | 0.461 | 60% | 0.604 | S | S | . | * | trans | -62.5 | 111.3 | 176.8 | -22.8 | 34.7 | 0 | 0 | 0 | 109.8 | L233 E237 L243 | L233-P235 WeakPolarHBondContact O-CD 3.4Å; P235-E237 PolarHBondContact O-N 3.06Å; P235-L243 HydrophobicContact CB-CD2 3.93Å | ||
| 236 | T | 44.7 | Very low | 44.5 | Very low | 130 Ų | 130 | 121.1 Ų | 121.1 | 80% | 0.798 | 59% | 0.591 | S | S | * | * | trans | -73.3 | 100.1 | 173.6 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | V234 D238 | V234-T236 PolarHBondContact O-N 2.99Å; T236-D238 PolarHBondContact O-N 3.11Å | ||
| 237 | E | 55.4 | Low | 44.7 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | trans | -53.8 | 134.6 | 167.2 | -67.9 | -165.6 | 177.9 | 0 | 0 | 110 | P235 L243 | P235-E237 PolarHBondContact O-N 3.06Å; E237-L243 HydrophobicContact CG-CD2 3.6Å; E237-L243 HydrophobicContact CG-CG 3.93Å | ||
| 238 | D | 61.1 | Low | 44.6 | Very low | 33 Ų | 33 | 119.5 Ų | 119.5 | 18% | 0.176 | 58% | 0.584 | C | S | . | * | trans | -69.6 | 169.4 | 164.8 | 79.9 | 0.5 | 0 | 0 | 0 | 110.9 | R117 T236 M240 G241 T242 | R117-D238 IonicContact CZ-OD2 2.7Å; R117-D238 IonicContact NH1-OD2 2.69Å; R117-D238 PolarHBondContact NH1-OD2 3.42Å; R117-D238 IonicContact NH2-OD2 3.14Å; R117-D238 PolarHBondContact NH2-OD2 3.43Å; T236-D238 PolarHBondContact O-N 3.11Å; D238-M240 PolarHBondContact O-N 2.83Å; D238-M240 VanDerWaalsContact OD1-C 3.23Å; D238-M240 VanDerWaalsContact OD1-CA 3.25Å; D238-M240 WeakPolarHBondContact OD1-CA 3.45Å; D238-M240 WeakPolarHBondContact OD1-CB 3.19Å; D238-M240 PolarHBondContact OD1-N 3.02Å; D238-G241 PolarHBondContact O-N 3.44Å; D238-G241 PolarHBondContact OD1-N 3.12Å; D238-T242 VanDerWaalsContact CG-CB 3.49Å; D238-T242 PolarHBondContact OD1-N 2.83Å; D238-T242 PolarHBondContact OD1-OG1 3.39Å; D238-T242 WeakPolarHBondContact OD2-CB 3.45Å; D238-T242 PolarHBondContact OD2-OG1 3.35Å | ||
| 239 | K | 60 | Low | 44.3 | Very low | 194 Ų | 194 | 116.4 Ų | 116.4 | 84% | 0.843 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 10.8 | 178.8 | -61.3 | -178.6 | 179.3 | 179.4 | 0 | 114 | ||
| 240 | M | 56.8 | Low | 44.1 | Very low | 55 Ų | 55 | 118 Ų | 118 | 27% | 0.271 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.2 | -4 | -175.5 | -61 | -64.4 | -75.5 | 0 | 0 | 113.6 | R113 D238 | R113-M240 PolarHBondContact NH1-O 3.48Å; D238-M240 PolarHBondContact O-N 2.83Å; D238-M240 VanDerWaalsContact OD1-C 3.23Å; D238-M240 VanDerWaalsContact OD1-CA 3.25Å; D238-M240 WeakPolarHBondContact OD1-CA 3.45Å; D238-M240 WeakPolarHBondContact OD1-CB 3.19Å; D238-M240 PolarHBondContact OD1-N 3.02Å |
| 241 | G | 57.8 | Low | 43.9 | Very low | 16 Ų | 16 | 118 Ų | 118 | 17% | 0.165 | 58% | 0.582 | C | S | . | * | trans | 89.9 | 14.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T110 Y153 D238 L243 | T110-G241 WeakPolarHBondContact CG2-O 3.36Å; Y153-G241 PolarHBondContact OH-N 3.27Å; D238-G241 PolarHBondContact O-N 3.44Å; D238-G241 PolarHBondContact OD1-N 3.12Å; G241-L243 PolarHBondContact O-N 2.93Å; G241-L243 VanDerWaalsContact O-N 3.16Å | ||
| 242 | T | 59.8 | Low | 43.8 | Very low | 1 Ų | 1 | 116 Ų | 116 | 1% | 0.006 | 58% | 0.583 | C | S | . | * | trans | -79.8 | 91.4 | 173.7 | -38.3 | 0 | 0 | 0 | 0 | 109.5 | T110 R113 A114 D238 H244 | T110-T242 WeakPolarHBondContact O-CG2 3.42Å; R113-T242 HydrophobicContact CB-CG2 4.42Å; A114-T242 HydrophobicContact CB-CG2 4.17Å; D238-T242 VanDerWaalsContact CG-CB 3.49Å; D238-T242 PolarHBondContact OD1-N 2.83Å; D238-T242 PolarHBondContact OD1-OG1 3.39Å; D238-T242 WeakPolarHBondContact OD2-CB 3.45Å; D238-T242 PolarHBondContact OD2-OG1 3.35Å; T242-H244 PolarHBondContact O-N 2.83Å | ||
| 243 | L | 54.4 | Low | 43.7 | Very low | 79 Ų | 79 | 113.3 Ų | 113.3 | 41% | 0.414 | 58% | 0.58 | S | S | . | * | trans | -68.9 | 114.2 | 162.1 | -83 | 164.8 | 0 | 0 | 0 | 108.7 | P235 E237 G241 N245 | P235-L243 HydrophobicContact CB-CD2 3.93Å; E237-L243 HydrophobicContact CG-CD2 3.6Å; E237-L243 HydrophobicContact CG-CG 3.93Å; G241-L243 PolarHBondContact O-N 2.93Å; G241-L243 VanDerWaalsContact O-N 3.16Å; L243-N245 PolarHBondContact O-N 3.3Å | ||
| 244 | H | 41.8 | Very low | 43.1 | Very low | 94 Ų | 94 | 114 Ų | 114 | 44% | 0.435 | 58% | 0.579 | S | S | . | * | trans | -77.8 | 68 | 170.5 | -81.6 | -64.4 | 0 | 0 | 0 | 110.8 | T242 | T242-H244 PolarHBondContact O-N 2.83Š| ||
| 245 | N | 40.5 | Very low | 42.5 | Very low | 92 Ų | 92 | 114.7 Ų | 114.7 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | trans | -91.4 | 99.3 | 165.2 | -70.7 | 14.4 | 0 | 0 | 0 | 108.2 | L243 | L243-N245 PolarHBondContact O-N 3.3Š| ||
| 246 | A | 35.1 | Very low | 41.7 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | trans | -64.3 | 131.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | Y248 | A246-Y248 PolarHBondContact O-N 3.46Š| ||
| 247 | F | 36.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 53% | 0.531 | 59% | 0.594 | S | S | . | * | trans | -72.7 | 116 | -171 | -72.7 | -91.7 | 0 | 0 | 0 | 111.6 | ||||
| 248 | Y | 31.1 | Very low | 39.4 | Very low | 226 Ų | 226 | 119.5 Ų | 119.5 | 89% | 0.886 | 61% | 0.611 | S | S | * | * | trans | -91 | 86.5 | 147 | -69.7 | -74.3 | 0 | 0 | 0 | 107.7 | A246 V250 | A246-Y248 PolarHBondContact O-N 3.46Å; Y248-V250 PolarHBondContact O-N 3.2Å | ||
| 249 | N | 28.7 | Very low | 37.8 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -84.3 | 102.9 | 162.9 | -84 | 1.5 | 0 | 0 | 0 | 107.9 | ||||
| 250 | V | 30.6 | Very low | 36.2 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | trans | -124.4 | 129.9 | 152.5 | 177.3 | 0 | 0 | 0 | 0 | 105.4 | Y248 Q252 | Y248-V250 PolarHBondContact O-N 3.2Å; V250-Q252 PolarHBondContact O-N 3.36Å | ||
| 251 | E | 32.8 | Very low | 35.3 | Very low | 181 Ų | 181 | 124.5 Ų | 124.5 | 85% | 0.846 | 67% | 0.666 | S | S | * | * | trans | -72.3 | 119.4 | -167.7 | -66.4 | 161.2 | 126.8 | 0 | 0 | 110.9 | Q253 | E251-Q253 PolarHBondContact O-N 2.93Å; E251-Q253 VanDerWaalsContact O-N 3.16Å | ||
| 252 | Q | 32.6 | Very low | 34 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | trans | -84.4 | 74.9 | 162.2 | -70.8 | -163.7 | -56.9 | 0 | 0 | 108.9 | V250 Q254 | V250-Q252 PolarHBondContact O-N 3.36Å; Q252-Q254 PolarHBondContact O-N 3.07Å | ||
| 253 | Q | 29.2 | Very low | 32.2 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -67.9 | 120.1 | 168.5 | -169.2 | 171 | 16.2 | 0 | 0 | 108.8 | E251 V255 | E251-Q253 PolarHBondContact O-N 2.93Å; E251-Q253 VanDerWaalsContact O-N 3.16Å; Q253-V255 PolarHBondContact O-N 3.41Å | ||
| 254 | Q | 31.7 | Very low | 30.8 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -72.1 | 122.3 | 174.8 | -65 | 177.3 | -81.3 | 0 | 0 | 109.6 | Q252 | Q252-Q254 PolarHBondContact O-N 3.07Š| ||
| 255 | V | 27 | Very low | 30.2 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -139.1 | 129.7 | 156.3 | -171.6 | 0 | 0 | 0 | 0 | 106.9 | Q253 | Q253-V255 PolarHBondContact O-N 3.41Š| ||
| 256 | D | 27.7 | Very low | 29.5 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 162.4 | -175.1 | -67.1 | -68.5 | 0 | 0 | 0 | 113.6 | ||||
| 257 | S | 27.2 | Very low | 29.3 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 100.9 | 141.6 | 147.3 | -37.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 258 | L | 25.9 | Very low | 28.9 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | 71.3 | 89.5 | 156.7 | -51.2 | -170.5 | 0 | 0 | 0 | 120.9 | ||||
| 259 | S | 27.3 | Very low | 28.9 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | 30.6 | 114.5 | 113.9 | 173.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 260 | S | 26.5 | Very low | 28.7 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | -167.7 | 148.1 | 126.8 | 38.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 261 | N | 36.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -95.8 | 147 | 168.7 | -60.7 | -38.6 | 0 | 0 | 0 | 109.7 | ||||
| 262 | P | 31.1 | Very low | 28.6 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -107.1 | 137 | 156.6 | 34.2 | -26.7 | 0 | 0 | 0 | 112 | ||||
| 263 | T | 21.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 71% | 0.712 | 81% | 0.814 | S | S | * | * | trans | -125.5 | 132.3 | 177.1 | -68.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 264 | T | 26.5 | Very low | 28.3 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 59.4 | 170 | 176.3 | 65.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 265 | S | 28.1 | Very low | 28.2 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | cis | -148.8 | 155.8 | 11.1 | 71 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 266 | N | 26.3 | Very low | 28.3 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 43.4 | 118.4 | 140.9 | -55.6 | -0.7 | 0 | 0 | 0 | 121.2 | ||||
| 267 | R | 29.8 | Very low | 28.6 | Very low | 254 Ų | 254 | 142.4 Ų | 142.4 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | -153.3 | 128.7 | 107.2 | -127.9 | 178.1 | -177.1 | -177.6 | 0.4 | 112.4 | |||||
| 268 | E | 28.2 | Very low | 28.9 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -100 | 144.9 | 170.2 | -62.2 | -177.7 | 145.9 | 0 | 0 | 110.3 | ||||
| 269 | Q | 32 | Very low | 29.6 | Very low | 208 Ų | 208 | 142.8 Ų | 142.8 | 97% | 0.972 | 81% | 0.813 | S | S | * | * | trans | -165.6 | 142.7 | 138 | -110 | 173.2 | 9.7 | 0 | 0 | 108 | ||||
| 270 | G | 24.7 | Very low | 30 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -156.8 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 271 | T | 31.5 | Very low | 31.2 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 93% | 0.933 | 81% | 0.814 | S | S | * | * | trans | -150.7 | 150.7 | 170.3 | 13.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 272 | E | 29.9 | Very low | 31.5 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -90.5 | 153.7 | -164.5 | -60.9 | -179.2 | 97.2 | 0 | 0 | 114.6 | ||||
| 273 | S | 28.8 | Very low | 32.8 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -144.6 | 154.2 | 137.1 | 57.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 274 | R | 27.1 | Very low | 35.1 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -138.2 | 152 | -154.3 | -142.7 | -176 | -153 | -126.8 | 6.7 | 113.1 | ||||
| 275 | L | 28.6 | Very low | 37 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 80.3 | 134.8 | 166.6 | -52.1 | 174.5 | 0 | 0 | 0 | 117.9 | ||||
| 276 | G | 30.1 | Very low | 39.1 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | 149.9 | 72.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N278 | G276-N278 PolarHBondContact O-N 2.83Š| ||
| 277 | P | 33.8 | Very low | 41 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -83.5 | 91.4 | -177 | 33.7 | -33.9 | 0 | 0 | 0 | 112.5 | ||||
| 278 | N | 33.6 | Very low | 42.7 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 122.2 | 167.7 | -85.4 | -38.5 | 0 | 0 | 0 | 110.7 | G276 G280 | G276-N278 PolarHBondContact O-N 2.83Å; N278-G280 PolarHBondContact O-N 3.42Å |
| 279 | P | 40.7 | Very low | 44.7 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.3 | 171.2 | 27.9 | -32.5 | 0 | 0 | 0 | 109.3 | S281 | P279-S281 PolarHBondContact O-N 3.04Š|
| 280 | G | 35.3 | Very low | 46.6 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N278 G282 | N278-G280 PolarHBondContact O-N 3.42Å; G280-G282 VanDerWaalsContact C-N 3.35Å; G280-G282 PolarHBondContact O-N 2.98Å |
| 281 | S | 51.3 | Low | 48.9 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -63.8 | 93.8 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | P279 V283 | P279-S281 PolarHBondContact O-N 3.04Å; S281-V283 PolarHBondContact O-N 3.02Å | ||
| 282 | G | 43.4 | Very low | 50.6 | Low | 63 Ų | 63 | 126.5 Ų | 126.5 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | trans | -65.8 | 104.5 | 180 | 0 | 0 | 0 | 0 | 0 | 110.2 | G280 R284 | G280-G282 VanDerWaalsContact C-N 3.35Å; G280-G282 PolarHBondContact O-N 2.98Å; G282-R284 PolarHBondContact O-N 3.22Å | ||
| 283 | V | 58.1 | Low | 52.5 | Low | 141 Ų | 141 | 124.3 Ų | 124.3 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | trans | -65.3 | 83.5 | 178 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | S281 F285 | S281-V283 PolarHBondContact O-N 3.02Å; V283-F285 PolarHBondContact O-N 3.07Å | ||
| 284 | R | 69.1 | Low | 54.6 | Low | 221 Ų | 221 | 121.7 Ų | 121.7 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | trans | -61.1 | 129.1 | 173.8 | -68.5 | -170.8 | -177.5 | -132.5 | 2.1 | 108.4 | G282 I286 | G282-R284 PolarHBondContact O-N 3.22Å; R284-I286 PolarHBondContact O-N 3.47Å | ||
| 285 | F | 66.8 | Low | 56.5 | Low | 187 Ų | 187 | 121.3 Ų | 121.3 | 82% | 0.82 | 67% | 0.671 | S | S | * | * | trans | -69.8 | 100.2 | 172.8 | -179.8 | -97.1 | 0 | 0 | 0 | 109.4 | V283 P287 | V283-F285 PolarHBondContact O-N 3.07Å; F285-P287 HydrophobicContact CE1-CB 4.24Å; F285-P287 WeakPolarHBondContact O-CD 3.39Å | ||
| 286 | I | 72.8 | Confident | 58.5 | Low | 96 Ų | 96 | 120 Ų | 120 | 49% | 0.492 | 66% | 0.658 | S | S | . | * | trans | -88 | 112 | 175.9 | -64.2 | 176.9 | 0 | 0 | 0 | 107.9 | R284 T290 N291 | R284-I286 PolarHBondContact O-N 3.47Å; I286-T290 WeakPolarHBondContact CG2-OG1 3.43Å; I286-N291 WeakPolarHBondContact CG2-OD1 3.29Å | ||
| 287 | P | 65.4 | Low | 60.5 | Low | 55 Ų | 55 | 125.5 Ų | 125.5 | 36% | 0.357 | 66% | 0.659 | S | S | . | * | trans | -68.8 | 138.5 | -175.7 | 28.4 | -34.3 | 0 | 0 | 0 | 110.9 | F285 I289 T290 | F285-P287 HydrophobicContact CE1-CB 4.24Å; F285-P287 WeakPolarHBondContact O-CD 3.39Å; P287-I289 HydrophobicContact CB-CG1 4.42Å; P287-I289 HydrophobicContact CG-CG1 4.43Å; P287-I289 PolarHBondContact O-N 3.38Å; P287-T290 HydrophobicContact CG-CG2 4.28Å; P287-T290 PolarHBondContact O-N 3.27Å; P287-T290 PolarHBondContact O-OG1 3.22Å | ||
| 288 | R | 64.8 | Low | 62.1 | Low | 220 Ų | 220 | 126.8 Ų | 126.8 | 83% | 0.83 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -51.1 | -25.6 | -169.2 | -75.5 | -178 | 172.3 | 174.8 | -3.6 | 116.1 | L292 | R288-L292 PolarHBondContact O-N 2.77Å |
| 289 | I | 71.2 | Confident | 63.5 | Low | 108 Ų | 108 | 123.4 Ų | 123.4 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.2 | -43.9 | 176.5 | 60.8 | -177.3 | 0 | 0 | 0 | 112.1 | P287 N291 L292 E293 | P287-I289 HydrophobicContact CB-CG1 4.42Å; P287-I289 HydrophobicContact CG-CG1 4.43Å; P287-I289 PolarHBondContact O-N 3.38Å; I289-N291 VanDerWaalsContact C-N 3.34Å; I289-N291 PolarHBondContact O-N 3.04Å; I289-L292 WeakPolarHBondContact O-CB 3.44Å; I289-L292 PolarHBondContact O-N 3.26Å; I289-L292 VanDerWaalsContact O-N 3.08Å; I289-E293 WeakPolarHBondContact O-CG 3.27Å; I289-E293 PolarHBondContact O-N 3.45Å |
| 290 | T | 70.8 | Confident | 64.7 | Low | 47 Ų | 47 | 124.5 Ų | 124.5 | 29% | 0.288 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.9 | -30.9 | -176.5 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | I286 P287 S294 | I286-T290 WeakPolarHBondContact CG2-OG1 3.43Å; P287-T290 HydrophobicContact CG-CG2 4.28Å; P287-T290 PolarHBondContact O-N 3.27Å; P287-T290 PolarHBondContact O-OG1 3.22Å; T290-S294 VanDerWaalsContact O-CB 3.23Å; T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 3Å; T290-S294 PolarHBondContact O-OG 3.2Å |
| 291 | N | 72.9 | Confident | 65.8 | Low | 90 Ų | 90 | 128.2 Ų | 128.2 | 48% | 0.481 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.3 | -34.2 | 171.6 | -72.6 | -19.9 | 0 | 0 | 0 | 112 | I286 I289 R295 | I286-N291 WeakPolarHBondContact CG2-OD1 3.29Å; I289-N291 VanDerWaalsContact C-N 3.34Å; I289-N291 PolarHBondContact O-N 3.04Å; N291-R295 WeakPolarHBondContact O-CB 3.38Å; N291-R295 PolarHBondContact O-N 2.85Å |
| 292 | L | 67.3 | Low | 65.9 | Low | 115 Ų | 115 | 125.4 Ų | 125.4 | 60% | 0.602 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.1 | -41.1 | 173 | -84.9 | 166 | 0 | 0 | 0 | 111.8 | R288 I289 R295 K296 | R288-L292 PolarHBondContact O-N 2.77Å; I289-L292 WeakPolarHBondContact O-CB 3.44Å; I289-L292 PolarHBondContact O-N 3.26Å; I289-L292 VanDerWaalsContact O-N 3.08Å; L292-R295 PolarHBondContact O-N 3.21Å; L292-K296 WeakPolarHBondContact O-CB 3.41Å; L292-K296 PolarHBondContact O-N 3.48Å |
| 293 | E | 71.7 | Confident | 66.5 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 175.7 | -71.9 | 158.5 | 178.3 | 0 | 0 | 111.4 | I289 R295 K296 R297 | I289-E293 WeakPolarHBondContact O-CG 3.27Å; I289-E293 PolarHBondContact O-N 3.45Å; E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.14Å; E293-K296 PolarHBondContact O-N 3.46Å; E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 PolarHBondContact O-N 3.29Å |
| 294 | S | 71.3 | Confident | 65.9 | Low | 72 Ų | 72 | 126 Ų | 126 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.6 | -38.2 | 174.2 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | T290 K298 | T290-S294 VanDerWaalsContact O-CB 3.23Å; T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 3Å; T290-S294 PolarHBondContact O-OG 3.2Å; S294-K298 PolarHBondContact O-N 3Å; S294-K298 VanDerWaalsContact O-N 3.14Å |
| 295 | R | 67.6 | Low | 64.4 | Low | 192 Ų | 192 | 121.7 Ų | 121.7 | 73% | 0.725 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.3 | -36.7 | 175.7 | -168.5 | 173.3 | -174.9 | 171.5 | 2.5 | 112.4 | N291 L292 E293 V299 | N291-R295 WeakPolarHBondContact O-CB 3.38Å; N291-R295 PolarHBondContact O-N 2.85Å; L292-R295 PolarHBondContact O-N 3.21Å; E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.14Å; R295-V299 WeakPolarHBondContact O-CG2 3.42Å; R295-V299 PolarHBondContact O-N 2.84Å |
| 296 | K | 70.7 | Confident | 63.4 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.7 | -50.5 | 171.2 | -86 | -167.8 | 164 | -155.2 | 0 | 111.5 | L292 E293 K298 V299 E300 | L292-K296 WeakPolarHBondContact O-CB 3.41Å; L292-K296 PolarHBondContact O-N 3.48Å; E293-K296 PolarHBondContact O-N 3.46Å; K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 PolarHBondContact O-N 2.87Å; K296-V299 CarbonylContact O-C 3.6Å; K296-V299 WeakPolarHBondContact O-CA 3.41Å; K296-V299 WeakPolarHBondContact O-CB 3.41Å; K296-V299 PolarHBondContact O-N 2.82Å; K296-E300 PolarHBondContact O-N 3.28Å |
| 297 | R | 71.3 | Confident | 61.6 | Low | 180 Ų | 180 | 117.3 Ų | 117.3 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -57.8 | -40.7 | -179.5 | -164 | 175 | -172.8 | 175.9 | 2.8 | 111.2 | E293 V299 E300 E301 | E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 PolarHBondContact O-N 3.29Å; R297-V299 VanDerWaalsContact C-N 3.32Å; R297-V299 PolarHBondContact O-N 3.04Å; R297-E300 PolarHBondContact O-N 3.09Å; R297-E301 WeakPolarHBondContact O-CB 3.28Å; R297-E301 PolarHBondContact O-N 3.24Å |
| 298 | K | 67.3 | Low | 60.4 | Low | 157 Ų | 157 | 122.1 Ų | 122.1 | 68% | 0.683 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.7 | -28.8 | 172.6 | -80.6 | -162 | 168.9 | -159.4 | 0 | 115.3 | S294 K296 S302 | S294-K298 PolarHBondContact O-N 3Å; S294-K298 VanDerWaalsContact O-N 3.14Å; K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 PolarHBondContact O-N 2.87Å; K298-S302 VanDerWaalsContact O-CB 3.31Å; K298-S302 WeakPolarHBondContact O-CB 3.4Å; K298-S302 PolarHBondContact O-N 2.95Å; K298-S302 VanDerWaalsContact O-N 3.14Å; K298-S302 PolarHBondContact O-OG 3.09Å |
| 299 | V | 64.8 | Low | 59.1 | Low | 85 Ų | 85 | 118.5 Ų | 118.5 | 52% | 0.515 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -82.3 | -33 | 176.1 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | R295 K296 R297 S302 | R295-V299 WeakPolarHBondContact O-CG2 3.42Å; R295-V299 PolarHBondContact O-N 2.84Å; K296-V299 CarbonylContact O-C 3.6Å; K296-V299 WeakPolarHBondContact O-CA 3.41Å; K296-V299 WeakPolarHBondContact O-CB 3.41Å; K296-V299 PolarHBondContact O-N 2.82Å; R297-V299 VanDerWaalsContact C-N 3.32Å; R297-V299 PolarHBondContact O-N 3.04Å; V299-S302 PolarHBondContact O-OG 2.99Å |
| 300 | E | 64.1 | Low | 57.6 | Low | 143 Ų | 143 | 118.6 Ų | 118.6 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73 | -32.8 | 173.1 | -69.6 | 163.9 | -169.9 | 0 | 0 | 111.3 | K296 R297 | K296-E300 PolarHBondContact O-N 3.28Å; R297-E300 PolarHBondContact O-N 3.09Å |
| 301 | E | 59.8 | Low | 56.5 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.9 | -21.7 | 177.3 | -171.6 | 168.7 | -121.8 | 0 | 0 | 113.3 | R297 | R297-E301 WeakPolarHBondContact O-CB 3.28Å; R297-E301 PolarHBondContact O-N 3.24Å |
| 302 | S | 53.2 | Low | 55.2 | Low | 62 Ų | 62 | 122.4 Ų | 122.4 | 43% | 0.434 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -86.4 | -5.1 | 175.7 | 72 | 0 | 0 | 0 | 0 | 114.7 | K298 V299 E304 | K298-S302 VanDerWaalsContact O-CB 3.31Å; K298-S302 WeakPolarHBondContact O-CB 3.4Å; K298-S302 PolarHBondContact O-N 2.95Å; K298-S302 VanDerWaalsContact O-N 3.14Å; K298-S302 PolarHBondContact O-OG 3.09Å; V299-S302 PolarHBondContact O-OG 2.99Å; S302-E304 PolarHBondContact O-N 3.35Å; S302-E304 VanDerWaalsContact O-N 3.09Å |
| 303 | G | 56.6 | Low | 54.3 | Low | 62 Ų | 62 | 123.5 Ų | 123.5 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | trans | 69.4 | 4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | T305 | G303-T305 PolarHBondContact O-N 3.28Š| ||
| 304 | E | 43.7 | Very low | 53.5 | Low | 156 Ų | 156 | 126.8 Ų | 126.8 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | trans | -77.1 | 89.2 | -177.1 | -76.5 | 172.6 | -147.3 | 0 | 0 | 111.8 | S302 | S302-E304 PolarHBondContact O-N 3.35Å; S302-E304 VanDerWaalsContact O-N 3.09Å | ||
| 305 | T | 38.8 | Very low | 52.7 | Low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | -59.4 | 142 | 162 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | G303 A307 | G303-T305 PolarHBondContact O-N 3.28Å; T305-A307 PolarHBondContact O-N 3.15Å | ||
| 306 | A | 45.3 | Very low | 52.3 | Low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -59.5 | 99.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N308 | A306-N308 PolarHBondContact O-N 2.76Š| ||
| 307 | A | 35 | Very low | 51.6 | Low | 91 Ų | 91 | 128.7 Ų | 128.7 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -70.3 | 112.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T305 V309 | T305-A307 PolarHBondContact O-N 3.15Å; A307-V309 PolarHBondContact O-N 3.46Å | ||
| 308 | N | 39.5 | Very low | 51.7 | Low | 156 Ų | 156 | 122.3 Ų | 122.3 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | -61.9 | 129.1 | 157.5 | -61.9 | -74.6 | 0 | 0 | 0 | 107.3 | A306 S310 | A306-N308 PolarHBondContact O-N 2.76Å; N308-S310 VanDerWaalsContact C-N 3.31Å; N308-S310 PolarHBondContact O-N 3.49Å | ||
| 309 | V | 38.6 | Very low | 51.7 | Low | 144 Ų | 144 | 121.3 Ų | 121.3 | 87% | 0.873 | 72% | 0.724 | S | S | * | * | trans | -72.7 | 87.8 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | A307 | A307-V309 PolarHBondContact O-N 3.46Š| ||
| 310 | S | 40.6 | Very low | 52 | Low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -64.9 | 139 | 142.7 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | N308 | N308-S310 VanDerWaalsContact C-N 3.31Å; N308-S310 PolarHBondContact O-N 3.49Å | ||
| 311 | G | 46 | Very low | 52.2 | Low | 52 Ų | 52 | 127.2 Ų | 127.2 | 54% | 0.536 | 75% | 0.748 | S | S | . | * | trans | -71.3 | 144.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 312 | E | 45.5 | Very low | 52.8 | Low | 165 Ų | 165 | 125.9 Ų | 125.9 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | 165.7 | 111 | 129.8 | -84.7 | -56.5 | 122.7 | 0 | 0 | 108.6 | |||||
| 313 | N | 49.7 | Very low | 53.4 | Low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 49.8 | 90.5 | 156.2 | -46.5 | -51 | 0 | 0 | 0 | 121 | ||||
| 314 | E | 55.1 | Low | 53.8 | Low | 184 Ų | 184 | 130.7 Ų | 130.7 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -137.2 | 156.2 | 148.2 | -90.4 | -148.1 | 155.5 | 0 | 0 | 111.8 | L316 | E314-L316 PolarHBondContact O-N 2.83Š| ||
| 315 | P | 52.9 | Low | 54.7 | Low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -76.7 | 90.5 | -170.8 | 30.7 | -35.7 | 0 | 0 | 0 | 113 | I317 | P315-I317 PolarHBondContact O-N 2.92Š| ||
| 316 | L | 59.9 | Low | 56.2 | Low | 158 Ų | 158 | 129.2 Ų | 129.2 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -61.4 | 105.4 | 178.1 | -160.2 | 84.3 | 0 | 0 | 0 | 112.4 | E314 G318 | E314-L316 PolarHBondContact O-N 2.83Å; L316-G318 PolarHBondContact O-N 3.06Å | ||
| 317 | I | 55.5 | Low | 57.4 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -74.8 | 110.5 | 172.8 | -103 | 61.6 | 0 | 0 | 0 | 110 | P315 | P315-I317 PolarHBondContact O-N 2.92Š| ||
| 318 | G | 74.5 | Confident | 59.6 | Low | 47 Ų | 47 | 130.1 Ų | 130.1 | 49% | 0.485 | 74% | 0.739 | S | S | . | * | S | Bend | trans | 164.5 | 161.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L316 K320 | L316-G318 PolarHBondContact O-N 3.06Å; G318-K320 PolarHBondContact O-N 2.84Å; G318-K320 VanDerWaalsContact O-N 3.16Å |
| 319 | P | 66.5 | Low | 61.5 | Low | 135 Ų | 135 | 126.6 Ų | 126.6 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63 | 117.7 | 170.7 | 27.4 | -32.6 | 0 | 0 | 0 | 108.7 | L321 | P319-L321 PolarHBondContact O-N 3.2Š|
| 320 | K | 72 | Confident | 63.5 | Low | 193 Ų | 193 | 129.1 Ų | 129.1 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 132.8 | 176.7 | -69.8 | -176 | 177.1 | -177.8 | 0 | 109.2 | G318 | G318-K320 PolarHBondContact O-N 2.84Å; G318-K320 VanDerWaalsContact O-N 3.16Å |
| 321 | L | 67.7 | Low | 65.8 | Low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.6 | 166.9 | -69.6 | 169.7 | 0 | 0 | 0 | 108.7 | P319 E323 | P319-L321 PolarHBondContact O-N 3.2Å; L321-E323 PolarHBondContact O-N 3.03Å |
| 322 | P | 71.4 | Confident | 67.7 | Low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 136 | 175.8 | -26.1 | 34.7 | 0 | 0 | 0 | 111.2 | A324 | P322-A324 PolarHBondContact O-N 3.41Š|
| 323 | E | 67.3 | Low | 69.8 | Low | 144 Ų | 144 | 127.9 Ų | 127.9 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 130.5 | 171.1 | -172.5 | 179.1 | 149.3 | 0 | 0 | 108.3 | L321 A325 K326 | L321-E323 PolarHBondContact O-N 3.03Å; E323-A325 PolarHBondContact O-N 3.01Å; E323-K326 WeakPolarHBondContact OE1-CE 3.5Å; E323-K326 IonicContact OE1-NZ 3.46Å; E323-K326 PolarHBondContact OE1-NZ 3.39Å |
| 324 | A | 63.5 | Low | 71.5 | Confident | 82 Ų | 82 | 124.8 Ų | 124.8 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P322 K326 | P322-A324 PolarHBondContact O-N 3.41Å; A324-K326 PolarHBondContact O-N 3Å |
| 325 | A | 63.8 | Low | 73 | Confident | 86 Ų | 86 | 118.2 Ų | 118.2 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 128.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E323 L327 | E323-A325 PolarHBondContact O-N 3.01Å; A325-L327 VanDerWaalsContact C-N 3.35Å; A325-L327 PolarHBondContact O-N 2.89Å |
| 326 | K | 69.2 | Low | 74.7 | Confident | 169 Ų | 169 | 117.4 Ų | 117.4 | 74% | 0.735 | 65% | 0.645 | S | S | * | * | trans | -70.8 | 95.9 | 174.1 | -70.1 | 165 | -172 | 149.5 | 0 | 106.9 | E323 A324 D328 | E323-K326 WeakPolarHBondContact OE1-CE 3.5Å; E323-K326 IonicContact OE1-NZ 3.46Å; E323-K326 PolarHBondContact OE1-NZ 3.39Å; A324-K326 PolarHBondContact O-N 3Å; K326-D328 VanDerWaalsContact C-N 3.29Å; K326-D328 PolarHBondContact O-N 3.08Å | ||
| 327 | L | 71.9 | Confident | 76.2 | Confident | 101 Ų | 101 | 113.4 Ų | 113.4 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | trans | -71.1 | 92 | 171.3 | -179 | 70.6 | 0 | 0 | 0 | 107.4 | A325 M329 | A325-L327 VanDerWaalsContact C-N 3.35Å; A325-L327 PolarHBondContact O-N 2.89Å; L327-M329 HydrophobicContact CD1-SD 3.91Å; L327-M329 HydrophobicContact CD2-SD 4.04Å; L327-M329 HydrophobicContact CG-CG 4.46Å; L327-M329 HydrophobicContact CG-SD 3.84Å | ||
| 328 | D | 79.9 | Confident | 77.8 | Confident | 108 Ų | 108 | 107 Ų | 107 | 58% | 0.578 | 60% | 0.596 | S | S | * | * | trans | -87 | 130.6 | 164.2 | -163.3 | -27.9 | 0 | 0 | 0 | 107.9 | K326 E330 N335 | K326-D328 VanDerWaalsContact C-N 3.29Å; K326-D328 PolarHBondContact O-N 3.08Å; D328-E330 PolarHBondContact OD1-N 2.86Å; D328-N335 PolarHBondContact OD1-ND2 2.96Å | ||
| 329 | M | 80.5 | Confident | 78.4 | Confident | 82 Ų | 82 | 106.6 Ų | 106.6 | 40% | 0.404 | 59% | 0.592 | S | S | . | * | trans | -98.7 | 6.9 | -179.3 | -65 | -61.1 | -51.5 | 0 | 0 | 113.1 | L327 D331 L334 N335 | L327-M329 HydrophobicContact CD1-SD 3.91Å; L327-M329 HydrophobicContact CD2-SD 4.04Å; L327-M329 HydrophobicContact CG-CG 4.46Å; L327-M329 HydrophobicContact CG-SD 3.84Å; M329-D331 PolarHBondContact O-N 3.2Å; M329-L334 HydrophobicContact CB-CB 3.75Å; M329-L334 HydrophobicContact CB-CD1 4.2Å; M329-L334 HydrophobicContact CE-CD1 4.36Å; M329-L334 HydrophobicContact CG-CB 4.16Å; M329-N335 PolarHBondContact N-OD1 3.07Å | ||
| 330 | E | 80.2 | Confident | 79.6 | Confident | 197 Ų | 197 | 105.9 Ų | 105.9 | 92% | 0.921 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 60 | 8 | -175.1 | -57.3 | -175.5 | 172.1 | 0 | 0 | 114.7 | D328 | D328-E330 PolarHBondContact OD1-N 2.86Š|
| 331 | D | 88.7 | Confident | 80.4 | Confident | 65 Ų | 65 | 101.2 Ų | 101.2 | 35% | 0.348 | 56% | 0.563 | S | S | . | * | trans | -133.2 | 121.6 | -178.6 | 179.3 | -22.7 | 0 | 0 | 0 | 109.6 | M329 S333 L334 N335 | M329-D331 PolarHBondContact O-N 3.2Å; D331-S333 VanDerWaalsContact C-N 3.26Å; D331-S333 VanDerWaalsContact CG-OG 3.27Å; D331-S333 PolarHBondContact O-N 2.88Å; D331-S333 WeakPolarHBondContact OD1-CA 3.45Å; D331-S333 VanDerWaalsContact OD1-CB 3.26Å; D331-S333 WeakPolarHBondContact OD1-CB 3.45Å; D331-S333 PolarHBondContact OD1-N 2.84Å; D331-S333 PolarHBondContact OD1-OG 3.29Å; D331-S333 PolarHBondContact OD2-OG 3.43Å; D331-L334 HydrophobicContact CB-CB 4.11Å; D331-L334 HydrophobicContact CB-CD1 4.02Å; D331-L334 HydrophobicContact CB-CG 3.97Å; D331-L334 PolarHBondContact O-N 2.82Å; D331-L334 PolarHBondContact OD1-N 2.83Å; D331-N335 WeakPolarHBondContact O-CB 3.49Å; D331-N335 PolarHBondContact O-N 3.09Å; D331-N335 PolarHBondContact O-ND2 3.33Å | ||
| 332 | E | 84.9 | Confident | 81.3 | Confident | 169 Ų | 169 | 100 Ų | 100 | 79% | 0.79 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.2 | -32.7 | 179.8 | -60.5 | -173.3 | 164.5 | 0 | 0 | 112.9 | T336 | E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 VanDerWaalsContact O-CG2 3.31Å; E332-T336 WeakPolarHBondContact O-CG2 3.45Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 2.77Å |
| 333 | S | 89.9 | Confident | 82.2 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.9 | -39.3 | 177.8 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | D331 T336 T337 | D331-S333 VanDerWaalsContact C-N 3.26Å; D331-S333 VanDerWaalsContact CG-OG 3.27Å; D331-S333 PolarHBondContact O-N 2.88Å; D331-S333 WeakPolarHBondContact OD1-CA 3.45Å; D331-S333 VanDerWaalsContact OD1-CB 3.26Å; D331-S333 WeakPolarHBondContact OD1-CB 3.45Å; D331-S333 PolarHBondContact OD1-N 2.84Å; D331-S333 PolarHBondContact OD1-OG 3.29Å; D331-S333 PolarHBondContact OD2-OG 3.43Å; S333-T336 WeakPolarHBondContact CA-OG1 3.23Å; S333-T336 PolarHBondContact O-OG1 2.9Å; S333-T337 WeakPolarHBondContact O-CG2 3.06Å; S333-T337 PolarHBondContact O-N 3.28Å; S333-T337 PolarHBondContact O-OG1 2.99Å |
| 334 | L | 85.3 | Confident | 83.2 | Confident | 74 Ų | 74 | 93.3 Ų | 93.3 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.1 | -44.4 | 174.1 | -61.7 | -177.4 | 0 | 0 | 0 | 110.8 | M329 D331 T336 T337 V338 | M329-L334 HydrophobicContact CB-CB 3.75Å; M329-L334 HydrophobicContact CB-CD1 4.2Å; M329-L334 HydrophobicContact CE-CD1 4.36Å; M329-L334 HydrophobicContact CG-CB 4.16Å; D331-L334 HydrophobicContact CB-CB 4.11Å; D331-L334 HydrophobicContact CB-CD1 4.02Å; D331-L334 HydrophobicContact CB-CG 3.97Å; D331-L334 PolarHBondContact O-N 2.82Å; D331-L334 PolarHBondContact OD1-N 2.83Å; L334-T336 VanDerWaalsContact C-N 3.33Å; L334-T336 PolarHBondContact O-N 3.33Å; L334-T337 PolarHBondContact O-N 2.87Å; L334-T337 PolarHBondContact O-OG1 3.36Å; L334-V338 WeakPolarHBondContact O-CG2 3.11Å; L334-V338 PolarHBondContact O-N 3.39Å |
| 335 | N | 87 | Confident | 84.2 | Confident | 47 Ų | 47 | 95.9 Ų | 95.9 | 25% | 0.251 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 177.9 | -76.1 | -28.3 | 0 | 0 | 0 | 112.7 | D328 M329 D331 G339 | D328-N335 PolarHBondContact OD1-ND2 2.96Å; M329-N335 PolarHBondContact N-OD1 3.07Å; D331-N335 WeakPolarHBondContact O-CB 3.49Å; D331-N335 PolarHBondContact O-N 3.09Å; D331-N335 PolarHBondContact O-ND2 3.33Å; N335-G339 PolarHBondContact O-N 2.75Å |
| 336 | T | 88.5 | Confident | 85.2 | Confident | 96 Ų | 96 | 100 Ų | 100 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 175.1 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | E332 S333 L334 G339 L340 | E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 VanDerWaalsContact O-CG2 3.31Å; E332-T336 WeakPolarHBondContact O-CG2 3.45Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 2.77Å; S333-T336 WeakPolarHBondContact CA-OG1 3.23Å; S333-T336 PolarHBondContact O-OG1 2.9Å; L334-T336 VanDerWaalsContact C-N 3.33Å; L334-T336 PolarHBondContact O-N 3.33Å; T336-G339 PolarHBondContact O-N 3.03Å; T336-L340 PolarHBondContact O-N 3.25Å |
| 337 | T | 91.1 | Very high | 85.9 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 174.3 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | S333 L334 G339 L340 I341 | S333-T337 WeakPolarHBondContact O-CG2 3.06Å; S333-T337 PolarHBondContact O-N 3.28Å; S333-T337 PolarHBondContact O-OG1 2.99Å; L334-T337 PolarHBondContact O-N 2.87Å; L334-T337 PolarHBondContact O-OG1 3.36Å; T337-G339 VanDerWaalsContact C-N 3.3Å; T337-G339 PolarHBondContact O-N 3.14Å; T337-L340 WeakPolarHBondContact O-CB 3.31Å; T337-L340 PolarHBondContact O-N 3.14Å; T337-L340 VanDerWaalsContact O-N 3.14Å; T337-I341 WeakPolarHBondContact O-CG1 3.47Å; T337-I341 PolarHBondContact O-N 2.69Å |
| 338 | V | 89.4 | Confident | 86.2 | Confident | 33 Ų | 33 | 98.9 Ų | 98.9 | 20% | 0.2 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 173.2 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | L334 I341 R342 | L334-V338 WeakPolarHBondContact O-CG2 3.11Å; L334-V338 PolarHBondContact O-N 3.39Å; V338-I341 PolarHBondContact O-N 3.2Å; V338-R342 WeakPolarHBondContact O-CG 3.49Å; V338-R342 PolarHBondContact O-N 2.97Å |
| 339 | G | 88.7 | Confident | 85.8 | Confident | 38 Ų | 38 | 97.2 Ų | 97.2 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | N335 T336 T337 R342 S343 | N335-G339 PolarHBondContact O-N 2.75Å; T336-G339 PolarHBondContact O-N 3.03Å; T337-G339 VanDerWaalsContact C-N 3.3Å; T337-G339 PolarHBondContact O-N 3.14Å; G339-R342 PolarHBondContact O-N 3.02Å; G339-S343 PolarHBondContact O-N 2.82Å; G339-S343 PolarHBondContact O-OG 2.69Å |
| 340 | L | 90.6 | Very high | 85.3 | Confident | 119 Ų | 119 | 97.4 Ų | 97.4 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -35.5 | 178.4 | -154.6 | 74.5 | 0 | 0 | 0 | 112.8 | T336 T337 S343 T344 | T336-L340 PolarHBondContact O-N 3.25Å; T337-L340 WeakPolarHBondContact O-CB 3.31Å; T337-L340 PolarHBondContact O-N 3.14Å; T337-L340 VanDerWaalsContact O-N 3.14Å; L340-S343 PolarHBondContact O-OG 2.85Å; L340-T344 WeakPolarHBondContact O-CB 3.33Å; L340-T344 WeakPolarHBondContact O-CG2 3.33Å; L340-T344 PolarHBondContact O-N 3.19Å; L340-T344 VanDerWaalsContact O-N 3.07Å; L340-T344 PolarHBondContact O-OG1 3.22Å |
| 341 | I | 89 | Confident | 84.5 | Confident | 96 Ų | 96 | 93 Ų | 93 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 173.1 | -67.4 | 163.1 | 0 | 0 | 0 | 110.3 | T337 V338 S343 T344 M345 | T337-I341 WeakPolarHBondContact O-CG1 3.47Å; T337-I341 PolarHBondContact O-N 2.69Å; V338-I341 PolarHBondContact O-N 3.2Å; I341-S343 PolarHBondContact O-N 3.41Å; I341-T344 WeakPolarHBondContact CA-OG1 3.41Å; I341-T344 PolarHBondContact O-N 3.03Å; I341-T344 PolarHBondContact O-OG1 3.11Å; I341-T344 VanDerWaalsContact O-OG1 3.05Å; I341-M345 HydrophobicContact CG2-CG 4.44Å; I341-M345 HydrophobicContact CG2-SD 4.15Å; I341-M345 WeakPolarHBondContact O-CB 3.27Å; I341-M345 VanDerWaalsContact O-CG 3.3Å; I341-M345 WeakPolarHBondContact O-CG 3.37Å; I341-M345 PolarHBondContact O-N 2.91Å |
| 342 | R | 87.6 | Confident | 83.2 | Confident | 133 Ų | 133 | 95.1 Ų | 95.1 | 50% | 0.502 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 178.3 | -71.6 | 173.8 | -174 | -106.7 | 8.4 | 112.5 | V338 G339 K346 | V338-R342 WeakPolarHBondContact O-CG 3.49Å; V338-R342 PolarHBondContact O-N 2.97Å; G339-R342 PolarHBondContact O-N 3.02Å; R342-K346 WeakPolarHBondContact O-CB 3.4Å; R342-K346 PolarHBondContact O-N 2.95Å; R342-K346 VanDerWaalsContact O-N 3.12Å |
| 343 | S | 88.9 | Confident | 81.3 | Confident | 60 Ų | 60 | 94.6 Ų | 94.6 | 42% | 0.42 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | 177.1 | 67 | 0 | 0 | 0 | 0 | 112.2 | G339 L340 I341 K346 Q347 | G339-S343 PolarHBondContact O-N 2.82Å; G339-S343 PolarHBondContact O-OG 2.69Å; L340-S343 PolarHBondContact O-OG 2.85Å; I341-S343 PolarHBondContact O-N 3.41Å; S343-K346 PolarHBondContact O-N 2.71Å; S343-Q347 PolarHBondContact O-N 2.64Å |
| 344 | T | 88.2 | Confident | 79.4 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 40% | 0.399 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -40.9 | 176.5 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | L340 I341 K346 Q347 V348 | L340-T344 WeakPolarHBondContact O-CB 3.33Å; L340-T344 WeakPolarHBondContact O-CG2 3.33Å; L340-T344 PolarHBondContact O-N 3.19Å; L340-T344 VanDerWaalsContact O-N 3.07Å; L340-T344 PolarHBondContact O-OG1 3.22Å; I341-T344 WeakPolarHBondContact CA-OG1 3.41Å; I341-T344 PolarHBondContact O-N 3.03Å; I341-T344 PolarHBondContact O-OG1 3.11Å; I341-T344 VanDerWaalsContact O-OG1 3.05Å; T344-K346 VanDerWaalsContact C-N 3.34Å; T344-K346 PolarHBondContact O-N 2.75Å; T344-Q347 PolarHBondContact O-N 3.41Å; T344-V348 WeakPolarHBondContact O-CG2 3.47Å; T344-V348 PolarHBondContact O-N 3.17Å |
| 345 | M | 84 | Confident | 77.3 | Confident | 135 Ų | 135 | 105.8 Ų | 105.8 | 67% | 0.665 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.7 | -43.9 | 171.6 | -75.5 | -176.4 | 73.4 | 0 | 0 | 112.2 | I341 Q347 V348 G349 | I341-M345 HydrophobicContact CG2-CG 4.44Å; I341-M345 HydrophobicContact CG2-SD 4.15Å; I341-M345 WeakPolarHBondContact O-CB 3.27Å; I341-M345 VanDerWaalsContact O-CG 3.3Å; I341-M345 WeakPolarHBondContact O-CG 3.37Å; I341-M345 PolarHBondContact O-N 2.91Å; M345-Q347 VanDerWaalsContact C-N 3.31Å; M345-Q347 PolarHBondContact O-N 3.43Å; M345-V348 PolarHBondContact O-N 3.12Å; M345-G349 PolarHBondContact O-N 3.34Å |
| 346 | K | 86.4 | Confident | 75 | Confident | 172 Ų | 172 | 109.9 Ų | 109.9 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.4 | -36.9 | 176.3 | -172.2 | 178.9 | -179.8 | -177.9 | 0 | 111.9 | R342 S343 T344 S350 | R342-K346 WeakPolarHBondContact O-CB 3.4Å; R342-K346 PolarHBondContact O-N 2.95Å; R342-K346 VanDerWaalsContact O-N 3.12Å; S343-K346 PolarHBondContact O-N 2.71Å; T344-K346 VanDerWaalsContact C-N 3.34Å; T344-K346 PolarHBondContact O-N 2.75Å; K346-S350 PolarHBondContact O-N 2.98Å |
| 347 | Q | 83.5 | Confident | 72.5 | Confident | 134 Ų | 134 | 110 Ų | 110 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.9 | -48.3 | 176.1 | -171.1 | 176.1 | 4.3 | 0 | 0 | 111.7 | S343 T344 M345 G349 S350 | S343-Q347 PolarHBondContact O-N 2.64Å; T344-Q347 PolarHBondContact O-N 3.41Å; M345-Q347 VanDerWaalsContact C-N 3.31Å; M345-Q347 PolarHBondContact O-N 3.43Å; Q347-G349 VanDerWaalsContact C-N 3.34Å; Q347-G349 PolarHBondContact O-N 2.7Å; Q347-S350 PolarHBondContact O-N 2.94Å; Q347-S350 PolarHBondContact O-OG 3.3Å |
| 348 | V | 78.5 | Confident | 70.2 | Confident | 113 Ų | 113 | 116.2 Ų | 116.2 | 69% | 0.685 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.3 | -43.8 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | T344 M345 S350 V351 | T344-V348 WeakPolarHBondContact O-CG2 3.47Å; T344-V348 PolarHBondContact O-N 3.17Å; M345-V348 PolarHBondContact O-N 3.12Å; V348-S350 PolarHBondContact O-N 3.5Å; V348-S350 VanDerWaalsContact O-N 3.12Å; V348-V351 PolarHBondContact O-N 3.26Å |
| 349 | G | 71.1 | Confident | 68.1 | Low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -5.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | M345 Q347 | M345-G349 PolarHBondContact O-N 3.34Å; Q347-G349 VanDerWaalsContact C-N 3.34Å; Q347-G349 PolarHBondContact O-N 2.7Å |
| 350 | S | 69.5 | Low | 65.9 | Low | 87 Ų | 87 | 132.4 Ų | 132.4 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -5.8 | 179.1 | 74 | 0 | 0 | 0 | 0 | 114.2 | K346 Q347 V348 | K346-S350 PolarHBondContact O-N 2.98Å; Q347-S350 PolarHBondContact O-N 2.94Å; Q347-S350 PolarHBondContact O-OG 3.3Å; V348-S350 PolarHBondContact O-N 3.5Å; V348-S350 VanDerWaalsContact O-N 3.12Å |
| 351 | V | 63.3 | Low | 63.8 | Low | 104 Ų | 104 | 131.4 Ų | 131.4 | 63% | 0.63 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -79.7 | 122.7 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | V348 | V348-V351 PolarHBondContact O-N 3.26Š|
| 352 | P | 61 | Low | 62.2 | Low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133.3 | 179 | 29.8 | -34.1 | 0 | 0 | 0 | 111.8 | L354 | P352-L354 PolarHBondContact O-N 2.88Š|
| 353 | D | 46.7 | Very low | 60.7 | Low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.2 | -179.1 | -82.2 | -47.1 | 0 | 0 | 0 | 113.7 | K355 | D353-K355 PolarHBondContact O-N 3.45Š|
| 354 | L | 49 | Very low | 59 | Low | 171 Ų | 171 | 144.7 Ų | 144.7 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -68.5 | 102.5 | 174.8 | -75.6 | 172.2 | 0 | 0 | 0 | 110.7 | P352 T356 | P352-L354 PolarHBondContact O-N 2.88Å; L354-T356 PolarHBondContact O-N 3.48Å; L354-T356 VanDerWaalsContact O-N 3.11Å | ||
| 355 | K | 41.8 | Very low | 57.3 | Low | 204 Ų | 204 | 153.3 Ų | 153.3 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -51.6 | 113.8 | 179.7 | -67.3 | 169.1 | -176.4 | 165.2 | 0 | 111.6 | D353 A357 | D353-K355 PolarHBondContact O-N 3.45Å; K355-A357 PolarHBondContact O-N 3.32Å | ||
| 356 | T | 38.3 | Very low | 55.9 | Low | 134 Ų | 134 | 158.5 Ų | 158.5 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -59.7 | 134.8 | 174.5 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | L354 K358 | L354-T356 PolarHBondContact O-N 3.48Å; L354-T356 VanDerWaalsContact O-N 3.11Å; T356-K358 PolarHBondContact O-N 2.69Å | ||
| 357 | A | 37.1 | Very low | 54.3 | Low | 97 Ų | 97 | 161.7 Ų | 161.7 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -66.6 | 118.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | K355 K359 | K355-A357 PolarHBondContact O-N 3.32Å; A357-K359 PolarHBondContact O-N 3.33Å; A357-K359 VanDerWaalsContact O-N 3.07Å | ||
| 358 | K | 41.2 | Very low | 52.8 | Low | 205 Ų | 205 | 163.1 Ų | 163.1 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | trans | -63.4 | 107.9 | 177 | -67.7 | -177.5 | 178.6 | 179.7 | 0 | 110.9 | T356 K360 | T356-K358 PolarHBondContact O-N 2.69Å; K358-K360 PolarHBondContact O-N 2.68Å | ||
| 359 | K | 46.8 | Very low | 51.5 | Low | 205 Ų | 205 | 165.7 Ų | 165.7 | 89% | 0.891 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 122.9 | 168.6 | -70.2 | -176.9 | 177.9 | 178.5 | 0 | 109.4 | A357 A361 | A357-K359 PolarHBondContact O-N 3.33Å; A357-K359 VanDerWaalsContact O-N 3.07Å; K359-A361 PolarHBondContact O-N 3.37Å |
| 360 | K | 42.6 | Very low | 50.4 | Low | 206 Ų | 206 | 170.9 Ų | 170.9 | 90% | 0.896 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 118.9 | 179.6 | -69.1 | -176.4 | 177.9 | 180 | 0 | 110.4 | K358 | K358-K360 PolarHBondContact O-N 2.68Š|
| 361 | A | 45.4 | Very low | 49.2 | Very low | 98 Ų | 98 | 175.8 Ų | 175.8 | 81% | 0.81 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K359 | K359-A361 PolarHBondContact O-N 3.37Š|
| 362 | K | 55.2 | Low | 48.4 | Very low | 195 Ų | 195 | 180.3 Ų | 180.3 | 85% | 0.848 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 142.2 | 172.2 | -68.8 | -177.2 | 177.7 | -179 | 0 | 110 | ||
| 363 | P | 55.7 | Low | 47.5 | Very low | 126 Ų | 126 | 185 Ų | 185 | 82% | 0.818 | 89% | 0.894 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 134.6 | 175.8 | 28.6 | -34 | 0 | 0 | 0 | 110.9 | ||
| 364 | R | 53.4 | Low | 47.6 | Very low | 248 Ų | 248 | 187 Ų | 187 | 94% | 0.936 | 90% | 0.898 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 128.3 | 165.8 | -88.4 | 176.4 | 145.2 | 169.2 | -8.6 | 109 | ||
| 365 | R | 53.8 | Low | 47.5 | Very low | 246 Ų | 246 | 188.2 Ų | 188.2 | 93% | 0.928 | 90% | 0.898 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.2 | 160.3 | -82.5 | -178.1 | 167.1 | 169.5 | -5.3 | 108.9 | ||
| 366 | R | 53.2 | Low | 48 | Very low | 244 Ų | 244 | 186.9 Ų | 186.9 | 92% | 0.921 | 90% | 0.899 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 139.6 | 157.9 | -84 | -178.3 | 169.5 | 172.1 | -4.8 | 108.8 | ||
| 367 | I | 52.9 | Low | 48.8 | Very low | 239 Ų | 239 | 191.7 Ų | 191.7 | 100% | 1.226 | 91% | 0.906 | S | S | * | * | trans | -125 | 0 | 144 | -59.9 | 178.9 | 0 | 0 | 0 | 103.3 |
Retrieved 367 of 367 residues in 77.1 ms
(Link to these results)