| 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 | 29.6 | Very low | 35.3 | Very low | 237 Ų | 237 | 148.3 Ų | 148.3 | 100% | 1.167 | 81% | 0.806 | S | S | * | * | 0 | 99.1 | 0 | -79.3 | 178.3 | 169.1 | 0 | 0 | 106.3 | |||||
| 2 | D | 36 | Very low | 35.8 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | trans | 48.2 | 148.1 | 155.7 | -60.5 | -23.5 | 0 | 0 | 0 | 122.1 | ||||
| 3 | P | 42.1 | Very low | 35.5 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | cis | -125.1 | 117.9 | 21.7 | 31.3 | -10.8 | 0 | 0 | 0 | 115.4 | ||||
| 4 | L | 34.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | -87.8 | 148.6 | 146.5 | -95.6 | 151.9 | 0 | 0 | 0 | 107.3 | ||||
| 5 | F | 37.9 | Very low | 35.6 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | trans | 77.6 | 101.4 | -179.8 | -70.7 | -93.8 | 0 | 0 | 0 | 116.4 | ||||
| 6 | N | 25.7 | Very low | 35.4 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -127.6 | 88.6 | 140.8 | -144.7 | 7.4 | 0 | 0 | 0 | 108.4 | T8 | N6-T8 PolarHBondContact O-N 3.34Š| ||
| 7 | T | 36.1 | Very low | 35.4 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 66% | 0.663 | 81% | 0.811 | S | S | * | * | trans | -67.8 | 100.7 | 152.7 | 36.2 | 0 | 0 | 0 | 0 | 106.5 | E9 | T7-E9 PolarHBondContact O-N 2.74Š| ||
| 8 | T | 34.3 | Very low | 35.8 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -65.9 | 99.4 | 168.8 | 37.5 | 0 | 0 | 0 | 0 | 109.1 | N6 | N6-T8 PolarHBondContact O-N 3.34Š| ||
| 9 | E | 36 | Very low | 35.8 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135 | 151.8 | -70 | -175.4 | 155.9 | 0 | 0 | 108.9 | T7 | T7-E9 PolarHBondContact O-N 2.74Š|
| 10 | V | 37.3 | Very low | 35.9 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 130.7 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 109 | ||
| 11 | P | 38.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 130.5 | 164.2 | 3.1 | 13.4 | 0 | 0 | 0 | 109.6 | G13 | P11-G13 PolarHBondContact O-N 3.1Š|
| 12 | N | 40.6 | Very low | 36.3 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 117.6 | 165.5 | -96.3 | -18.7 | 0 | 0 | 0 | 110.4 | ||
| 13 | G | 31.8 | Very low | 36.2 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -153.4 | 106.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | P11 | P11-G13 PolarHBondContact O-N 3.1Š| ||
| 14 | T | 36.8 | Very low | 36 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -68.8 | 150.2 | -178.5 | 11.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 15 | V | 35.5 | Very low | 36.2 | Very low | 147 Ų | 147 | 127 Ų | 127 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | 96.4 | 118.1 | 156.9 | -177.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 16 | G | 33.2 | Very low | 36.2 | Very low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | 124 | 95.2 | 129.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 17 | S | 34.5 | Very low | 36.8 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 76.4 | 120 | 144.9 | 77 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 18 | N | 44.1 | Very low | 37.3 | Very low | 173 Ų | 173 | 132 Ų | 132 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | 26.7 | 101.1 | 141.5 | -71.8 | -5 | 0 | 0 | 0 | 118.9 | ||||
| 19 | G | 34.3 | Very low | 37.9 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | -174.6 | 101 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | N21 | G19-N21 PolarHBondContact O-N 3.22Š| ||
| 20 | T | 39 | Very low | 38.8 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -67.5 | 74 | 166.4 | 41.4 | 0 | 0 | 0 | 0 | 109.2 | N22 | T20-N22 PolarHBondContact O-N 3.48Š| ||
| 21 | N | 36.3 | Very low | 39.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -84.8 | 92.9 | 163.1 | -80.8 | -10.3 | 0 | 0 | 0 | 107.1 | G19 G23 | G19-N21 PolarHBondContact O-N 3.22Å; N21-G23 PolarHBondContact O-N 3.41Å | ||
| 22 | N | 36.1 | Very low | 40.8 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | trans | -63.6 | 74.2 | 157.8 | -85.5 | -9.8 | 0 | 0 | 0 | 108.2 | T20 T24 | T20-N22 PolarHBondContact O-N 3.48Å; N22-T24 VanDerWaalsContact C-N 3.3Å; N22-T24 PolarHBondContact O-N 2.65Å | ||
| 23 | G | 34.7 | Very low | 42.5 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 62% | 0.619 | 70% | 0.697 | S | S | * | * | trans | -71.5 | 92.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | N21 V25 | N21-G23 PolarHBondContact O-N 3.41Å; G23-V25 VanDerWaalsContact C-N 3.32Å; G23-V25 PolarHBondContact O-N 3.28Å | ||
| 24 | T | 37.8 | Very low | 44.8 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 61% | 0.613 | 69% | 0.692 | S | S | * | * | trans | -55.9 | 101.9 | 162.9 | 40.3 | 0 | 0 | 0 | 0 | 107.3 | N22 Y26 | N22-T24 VanDerWaalsContact C-N 3.3Å; N22-T24 PolarHBondContact O-N 2.65Å; T24-Y26 VanDerWaalsContact C-N 3.32Å; T24-Y26 WeakPolarHBondContact O-CD2 3.32Å; T24-Y26 PolarHBondContact O-N 3.14Å | ||
| 25 | V | 39.7 | Very low | 47 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | trans | -61.4 | 101.4 | 167.3 | 177 | 0 | 0 | 0 | 0 | 105.5 | G23 R27 | G23-V25 VanDerWaalsContact C-N 3.32Å; G23-V25 PolarHBondContact O-N 3.28Å; V25-R27 HydrophobicContact CG1-CG 4.36Å; V25-R27 PolarHBondContact O-N 3.24Å | ||
| 26 | Y | 37.4 | Very low | 49.3 | Very low | 204 Ų | 204 | 118.6 Ų | 118.6 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | trans | -64.5 | 80.4 | 168.8 | -72.9 | -88.6 | 0 | 0 | 0 | 107.7 | T24 N28 | T24-Y26 VanDerWaalsContact C-N 3.32Å; T24-Y26 WeakPolarHBondContact O-CD2 3.32Å; T24-Y26 PolarHBondContact O-N 3.14Å; Y26-N28 PolarHBondContact O-N 3.22Å; Y26-N28 VanDerWaalsContact O-N 3.15Å | ||
| 27 | R | 38.5 | Very low | 51.5 | Low | 223 Ų | 223 | 117.9 Ų | 117.9 | 84% | 0.842 | 63% | 0.634 | S | S | * | * | trans | -61.1 | 116.6 | 161 | -90.2 | -173.6 | 169 | 164.1 | -1.5 | 105.5 | V25 Q29 | V25-R27 HydrophobicContact CG1-CG 4.36Å; V25-R27 PolarHBondContact O-N 3.24Å; R27-Q29 VanDerWaalsContact C-N 3.34Å; R27-Q29 PolarHBondContact O-N 3.5Å | ||
| 28 | N | 47.5 | Very low | 54 | Low | 106 Ų | 106 | 115.8 Ų | 115.8 | 57% | 0.567 | 62% | 0.615 | S | S | * | * | trans | -54.1 | 102.8 | 168 | -86.2 | -36.4 | 0 | 0 | 0 | 108 | Y26 F30 V31 | Y26-N28 PolarHBondContact O-N 3.22Å; Y26-N28 VanDerWaalsContact O-N 3.15Å; N28-F30 PolarHBondContact O-N 3.46Å; N28-V31 HydrophobicContact CB-CG2 3.82Å; N28-V31 WeakPolarHBondContact O-CG2 3.37Å; N28-V31 PolarHBondContact O-N 2.95Å | ||
| 29 | Q | 46.9 | Very low | 56.1 | Low | 145 Ų | 145 | 112.5 Ų | 112.5 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -5.3 | -177.3 | -160.2 | 169.2 | -10.7 | 0 | 0 | 112.4 | R27 T286 | R27-Q29 VanDerWaalsContact C-N 3.34Å; R27-Q29 PolarHBondContact O-N 3.5Å; Q29-T286 VanDerWaalsContact NE2-CG2 3.3Å |
| 30 | F | 53.3 | Low | 58.5 | Low | 105 Ų | 105 | 111.9 Ų | 111.9 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | 5.4 | -179.8 | -59.1 | -76.8 | 0 | 0 | 0 | 114.4 | N28 Q32 | N28-F30 PolarHBondContact O-N 3.46Å; F30-Q32 PolarHBondContact O-N 3.32Å |
| 31 | V | 55.5 | Low | 60.7 | Low | 119 Ų | 119 | 105.9 Ų | 105.9 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | trans | -75.1 | 94.6 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | N28 | N28-V31 HydrophobicContact CB-CG2 3.82Å; N28-V31 WeakPolarHBondContact O-CG2 3.37Å; N28-V31 PolarHBondContact O-N 2.95Å | ||
| 32 | Q | 62.7 | Low | 63.2 | Low | 27 Ų | 27 | 103.2 Ų | 103.2 | 13% | 0.126 | 53% | 0.525 | C | S | . | . | trans | -74.4 | 147.1 | 176.6 | -61.7 | -174.4 | 5.8 | 0 | 0 | 111 | F30 V34 I37 Q290 | F30-Q32 PolarHBondContact O-N 3.32Å; Q32-V34 PolarHBondContact O-N 3.4Å; Q32-I37 HydrophobicContact CB-CD1 4.14Å; Q32-I37 HydrophobicContact CB-CG1 3.9Å; Q32-Q290 VanDerWaalsContact OE1-NE2 3.15Å | ||
| 33 | P | 77.7 | Confident | 65.7 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | trans | -64.1 | 138.3 | 172.6 | 28.4 | -35.3 | 0 | 0 | 0 | 110.3 | W35 R36 I37 | P33-W35 HydrophobicContact CG-CZ2 4.24Å; P33-W35 PolarHBondContact O-N 3.17Å; P33-W35 VanDerWaalsContact O-N 3.09Å; P33-R36 HydrophobicContact CG-CB 4.26Å; P33-R36 HydrophobicContact CG-CG 3.81Å; P33-R36 WeakPolarHBondContact O-CB 3.48Å; P33-R36 PolarHBondContact O-N 3.17Å; P33-I37 PolarHBondContact O-N 3.23Å | ||
| 34 | V | 78.6 | Confident | 68.2 | Low | 107 Ų | 107 | 94.7 Ų | 94.7 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -52.7 | -38.4 | -171.5 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | Q32 R36 I37 V38 | Q32-V34 PolarHBondContact O-N 3.4Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 3.11Å; V34-I37 WeakPolarHBondContact O-CB 3.45Å; V34-I37 PolarHBondContact O-N 3.11Å; V34-V38 HydrophobicContact CG1-CG2 4.21Å; V34-V38 WeakPolarHBondContact O-CG2 3.32Å; V34-V38 PolarHBondContact O-N 3.35Å |
| 35 | W | 83.8 | Confident | 70.5 | Confident | 145 Ų | 145 | 92.6 Ų | 92.6 | 55% | 0.549 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -33.5 | 178.7 | 65.5 | -98.3 | 0 | 0 | 0 | 113.3 | P33 L39 | P33-W35 HydrophobicContact CG-CZ2 4.24Å; P33-W35 PolarHBondContact O-N 3.17Å; P33-W35 VanDerWaalsContact O-N 3.09Å; W35-L39 HydrophobicContact CE3-CD1 3.74Å; W35-L39 HydrophobicContact CZ3-CD1 3.91Å; W35-L39 VanDerWaalsContact O-CG 3.32Å; W35-L39 WeakPolarHBondContact O-CG 3.25Å; W35-L39 PolarHBondContact O-N 2.96Å |
| 36 | R | 83.1 | Confident | 72.9 | Confident | 99 Ų | 99 | 89.9 Ų | 89.9 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 175.4 | -72.3 | -178.4 | -169.1 | -96.9 | 0.9 | 111.1 | P33 V34 V38 L39 W40 | P33-R36 HydrophobicContact CG-CB 4.26Å; P33-R36 HydrophobicContact CG-CG 3.81Å; P33-R36 WeakPolarHBondContact O-CB 3.48Å; P33-R36 PolarHBondContact O-N 3.17Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 3.11Å; R36-V38 VanDerWaalsContact C-N 3.32Å; R36-V38 PolarHBondContact O-N 3.36Å; R36-L39 PolarHBondContact O-N 3.33Å; R36-W40 VanDerWaalsContact O-CD1 3.28Å; R36-W40 PolarHBondContact O-N 3.33Å |
| 37 | I | 81.2 | Confident | 75.4 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 177.4 | -58.5 | 174.2 | 0 | 0 | 0 | 109.6 | Q32 P33 V34 L39 W40 A41 V99 | Q32-I37 HydrophobicContact CB-CD1 4.14Å; Q32-I37 HydrophobicContact CB-CG1 3.9Å; P33-I37 PolarHBondContact O-N 3.23Å; V34-I37 WeakPolarHBondContact O-CB 3.45Å; V34-I37 PolarHBondContact O-N 3.11Å; I37-L39 PolarHBondContact O-N 3.13Å; I37-W40 PolarHBondContact O-N 3.04Å; I37-A41 VanDerWaalsContact O-CB 3.31Å; I37-A41 WeakPolarHBondContact O-CB 3.47Å; I37-A41 PolarHBondContact O-N 3.19Å; I37-V99 HydrophobicContact CG2-CB 4.45Å; I37-V99 HydrophobicContact CG2-CG1 4.2Å; I37-V99 HydrophobicContact CG2-CG2 3.89Å |
| 38 | V | 85.3 | Confident | 77.8 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | V34 R36 A41 I42 | V34-V38 HydrophobicContact CG1-CG2 4.21Å; V34-V38 WeakPolarHBondContact O-CG2 3.32Å; V34-V38 PolarHBondContact O-N 3.35Å; R36-V38 VanDerWaalsContact C-N 3.32Å; R36-V38 PolarHBondContact O-N 3.36Å; V38-A41 WeakPolarHBondContact O-CB 3.34Å; V38-A41 PolarHBondContact O-N 3.46Å; V38-I42 HydrophobicContact CG1-CD1 3.98Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 2.89Å |
| 39 | L | 88.1 | Confident | 79.9 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 175.9 | -74.9 | 174.3 | 0 | 0 | 0 | 112.1 | W35 R36 I37 A41 I42 A43 | W35-L39 HydrophobicContact CE3-CD1 3.74Å; W35-L39 HydrophobicContact CZ3-CD1 3.91Å; W35-L39 VanDerWaalsContact O-CG 3.32Å; W35-L39 WeakPolarHBondContact O-CG 3.25Å; W35-L39 PolarHBondContact O-N 2.96Å; R36-L39 PolarHBondContact O-N 3.33Å; I37-L39 PolarHBondContact O-N 3.13Å; L39-A41 VanDerWaalsContact C-N 3.29Å; L39-A41 PolarHBondContact O-N 3.33Å; L39-I42 PolarHBondContact O-N 3.29Å; L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 3.33Å |
| 40 | W | 86.1 | Confident | 82.1 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 20% | 0.197 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.8 | -79.4 | 120.2 | 0 | 0 | 0 | 111.5 | R36 I37 I42 A43 Y44 L293 A294 W297 | R36-W40 VanDerWaalsContact O-CD1 3.28Å; R36-W40 PolarHBondContact O-N 3.33Å; I37-W40 PolarHBondContact O-N 3.04Å; W40-I42 PolarHBondContact O-N 3.24Å; W40-A43 HydrophobicContact CE3-CB 4.49Å; W40-A43 PolarHBondContact O-N 3.06Å; W40-Y44 HydrophobicContact CE3-CD2 4.09Å; W40-Y44 AromaticContact CE3-CE2 3.7Å; W40-Y44 HydrophobicContact CE3-CE2 3.7Å; W40-Y44 HydrophobicContact CZ3-CE2 4.26Å; W40-Y44 WeakPolarHBondContact O-CD2 3.25Å; W40-Y44 PolarHBondContact O-N 3.31Å; W40-L293 HydrophobicContact CD2-CB 4.28Å; W40-L293 HydrophobicContact CG-CD1 4.41Å; W40-L293 HydrophobicContact CH2-CB 4.47Å; W40-L293 HydrophobicContact CZ2-CB 4.03Å; W40-A294 VanDerWaalsContact CH2-CA 3.42Å; W40-A294 HydrophobicContact CH2-CB 3.73Å; W40-A294 HydrophobicContact CZ2-CB 4.15Å; W40-W297 HydrophobicContact CE3-CB 4.45Å; W40-W297 HydrophobicContact CE3-CG 4.49Å; W40-W297 HydrophobicContact CH2-CB 4.47Å; W40-W297 HydrophobicContact CZ3-CB 3.67Å; W40-W297 AromaticContact CZ3-CG 3.81Å; W40-W297 HydrophobicContact CZ3-CG 3.81Å |
| 41 | A | 84.4 | Confident | 83.9 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I37 V38 L39 A43 S45 F95 | I37-A41 VanDerWaalsContact O-CB 3.31Å; I37-A41 WeakPolarHBondContact O-CB 3.47Å; I37-A41 PolarHBondContact O-N 3.19Å; V38-A41 WeakPolarHBondContact O-CB 3.34Å; V38-A41 PolarHBondContact O-N 3.46Å; L39-A41 VanDerWaalsContact C-N 3.29Å; L39-A41 PolarHBondContact O-N 3.33Å; A41-A43 VanDerWaalsContact C-N 3.33Å; A41-A43 PolarHBondContact O-N 2.78Å; A41-S45 WeakPolarHBondContact O-CB 3.21Å; A41-S45 PolarHBondContact O-N 3.05Å; A41-S45 PolarHBondContact O-OG 2.95Å; A41-F95 HydrophobicContact CB-CD2 4.44Å; A41-F95 HydrophobicContact CB-CE1 4.19Å; A41-F95 HydrophobicContact CB-CE2 3.28Å; A41-F95 HydrophobicContact CB-CZ 3.1Å |
| 42 | I | 88 | Confident | 85.7 | Confident | 97 Ų | 97 | 57.5 Ų | 57.5 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -46 | 177.2 | -66.5 | 164.7 | 0 | 0 | 0 | 109.4 | V38 L39 W40 Y44 S45 C46 | V38-I42 HydrophobicContact CG1-CD1 3.98Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 2.89Å; L39-I42 PolarHBondContact O-N 3.29Å; W40-I42 PolarHBondContact O-N 3.24Å; I42-Y44 PolarHBondContact O-N 2.66Å; I42-S45 PolarHBondContact O-N 3.31Å; I42-C46 PolarHBondContact O-N 3.14Å; I42-C46 PolarHBondContact O-SG 3.3Å |
| 43 | A | 89.5 | Confident | 87.2 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L39 W40 A41 I47 W297 | L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 3.33Å; W40-A43 HydrophobicContact CE3-CB 4.49Å; W40-A43 PolarHBondContact O-N 3.06Å; A41-A43 VanDerWaalsContact C-N 3.33Å; A41-A43 PolarHBondContact O-N 2.78Å; A43-I47 PolarHBondContact O-N 3.26Å; A43-W297 PolarHBondContact O-NE1 3.11Å; A43-W297 VanDerWaalsContact O-NE1 3.16Å |
| 44 | Y | 86.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71 | -36.8 | 176.4 | -85.3 | -88 | 0 | 0 | 0 | 112.2 | W40 I42 C46 I47 V48 T91 L293 M296 W297 | W40-Y44 HydrophobicContact CE3-CD2 4.09Å; W40-Y44 AromaticContact CE3-CE2 3.7Å; W40-Y44 HydrophobicContact CE3-CE2 3.7Å; W40-Y44 HydrophobicContact CZ3-CE2 4.26Å; W40-Y44 WeakPolarHBondContact O-CD2 3.25Å; W40-Y44 PolarHBondContact O-N 3.31Å; I42-Y44 PolarHBondContact O-N 2.66Å; Y44-C46 VanDerWaalsContact C-N 3.3Å; Y44-C46 PolarHBondContact O-N 3.39Å; Y44-I47 HydrophobicContact CD1-CD1 4.36Å; Y44-I47 WeakPolarHBondContact O-CB 3.34Å; Y44-I47 PolarHBondContact O-N 2.8Å; Y44-I47 VanDerWaalsContact O-N 3.12Å; Y44-V48 PolarHBondContact O-N 3.36Å; Y44-V48 VanDerWaalsContact O-N 3.13Å; Y44-T91 HydrophobicContact CD1-CG2 4Å; Y44-L293 PolarHBondContact OH-O 3.04Å; Y44-M296 WeakPolarHBondContact OH-CB 3.45Å; Y44-M296 WeakPolarHBondContact OH-CG 3.3Å; Y44-W297 AromaticContact CD2-CD1 3.81Å; Y44-W297 HydrophobicContact CE1-CB 4.39Å; Y44-W297 HydrophobicContact CE2-CB 3.95Å; Y44-W297 AromaticContact CE2-CD1 3.8Å; Y44-W297 HydrophobicContact CE2-CG 4.3Å; Y44-W297 WeakPolarHBondContact OH-CA 3.33Å; Y44-W297 PolarHBondContact OH-N 2.82Å |
| 45 | S | 86.9 | Confident | 88.7 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | A41 I42 I47 V48 V49 | A41-S45 WeakPolarHBondContact O-CB 3.21Å; A41-S45 PolarHBondContact O-N 3.05Å; A41-S45 PolarHBondContact O-OG 2.95Å; I42-S45 PolarHBondContact O-N 3.31Å; S45-I47 VanDerWaalsContact C-N 3.32Å; S45-I47 PolarHBondContact O-N 3.16Å; S45-V48 PolarHBondContact O-N 3.42Å; S45-V49 WeakPolarHBondContact O-CG2 3.48Å; S45-V49 PolarHBondContact O-N 2.95Å |
| 46 | C | 89.9 | Confident | 89.2 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 47% | 0.466 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 173.1 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | I42 Y44 V50 | I42-C46 PolarHBondContact O-N 3.14Å; I42-C46 PolarHBondContact O-SG 3.3Å; Y44-C46 VanDerWaalsContact C-N 3.3Å; Y44-C46 PolarHBondContact O-N 3.39Å; C46-V50 WeakPolarHBondContact O-CB 3.32Å; C46-V50 VanDerWaalsContact O-CG2 3.28Å; C46-V50 WeakPolarHBondContact O-CG2 3.33Å; C46-V50 PolarHBondContact O-N 2.71Å |
| 47 | I | 90.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -51.5 | 175.3 | -58.3 | -179.8 | 0 | 0 | 0 | 110.1 | A43 Y44 S45 V49 V50 S51 W297 M300 M304 | A43-I47 PolarHBondContact O-N 3.26Å; Y44-I47 HydrophobicContact CD1-CD1 4.36Å; Y44-I47 WeakPolarHBondContact O-CB 3.34Å; Y44-I47 PolarHBondContact O-N 2.8Å; Y44-I47 VanDerWaalsContact O-N 3.12Å; S45-I47 VanDerWaalsContact C-N 3.32Å; S45-I47 PolarHBondContact O-N 3.16Å; I47-V49 PolarHBondContact O-N 3.31Å; I47-V50 PolarHBondContact O-N 2.86Å; I47-S51 WeakPolarHBondContact O-CB 3.4Å; I47-S51 PolarHBondContact O-N 3.31Å; I47-W297 VanDerWaalsContact CD1-CD1 3.43Å; I47-W297 HydrophobicContact CD1-CD2 4.22Å; I47-W297 HydrophobicContact CD1-CG 3.96Å; I47-M300 HydrophobicContact CD1-CB 4.16Å; I47-M304 HydrophobicContact CB-CE 4.09Å; I47-M304 HydrophobicContact CD1-CE 4.42Å; I47-M304 HydrophobicContact CG1-CE 3.55Å; I47-M304 HydrophobicContact CG2-CE 4.18Å |
| 48 | V | 89.8 | Confident | 90.2 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -49.1 | -176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | Y44 S45 V52 T91 V92 | Y44-V48 PolarHBondContact O-N 3.36Å; Y44-V48 VanDerWaalsContact O-N 3.13Å; S45-V48 PolarHBondContact O-N 3.42Å; V48-V52 HydrophobicContact CG1-CG2 4.17Å; V48-V52 VanDerWaalsContact O-CB 3.28Å; V48-V52 WeakPolarHBondContact O-CB 3.18Å; V48-V52 VanDerWaalsContact O-CG2 3.22Å; V48-V52 WeakPolarHBondContact O-CG2 3.34Å; V48-V52 PolarHBondContact O-N 2.81Å; V48-T91 HydrophobicContact CG2-CG2 3.41Å; V48-T91 VanDerWaalsContact CG2-CG2 3.41Å; V48-V92 HydrophobicContact CG1-CG2 4.11Å; V48-V92 HydrophobicContact CG2-CG2 4.35Å |
| 49 | V | 91.1 | Very high | 90.6 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.7 | -50.6 | -178.3 | 173.5 | 0 | 0 | 0 | 0 | 111 | S45 I47 V53 | S45-V49 WeakPolarHBondContact O-CG2 3.48Å; S45-V49 PolarHBondContact O-N 2.95Å; I47-V49 PolarHBondContact O-N 3.31Å; V49-V53 HydrophobicContact CG1-CG2 4.44Å; V49-V53 VanDerWaalsContact O-CB 3.25Å; V49-V53 WeakPolarHBondContact O-CB 3.42Å; V49-V53 WeakPolarHBondContact O-CG2 3.33Å; V49-V53 PolarHBondContact O-N 3.17Å |
| 50 | V | 92.4 | Very high | 90.8 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.2 | -43 | -177.3 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | C46 I47 G54 M304 I308 | C46-V50 WeakPolarHBondContact O-CB 3.32Å; C46-V50 VanDerWaalsContact O-CG2 3.28Å; C46-V50 WeakPolarHBondContact O-CG2 3.33Å; C46-V50 PolarHBondContact O-N 2.71Å; I47-V50 PolarHBondContact O-N 2.86Å; V50-G54 WeakPolarHBondContact O-CA 3.33Å; V50-G54 PolarHBondContact O-N 3.29Å; V50-M304 HydrophobicContact CB-CB 4.21Å; V50-M304 HydrophobicContact CG1-CB 3.87Å; V50-M304 HydrophobicContact CG1-CG 4.31Å; V50-I308 HydrophobicContact CG1-CD1 4.26Å |
| 51 | S | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -49.4 | -179.8 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | I47 N55 T303 | I47-S51 WeakPolarHBondContact O-CB 3.4Å; I47-S51 PolarHBondContact O-N 3.31Å; S51-N55 VanDerWaalsContact O-CB 3.27Å; S51-N55 WeakPolarHBondContact O-CB 3.44Å; S51-N55 PolarHBondContact O-N 3.11Å; S51-N55 PolarHBondContact O-ND2 3.13Å; S51-N55 PolarHBondContact OG-ND2 3.48Å; S51-T303 WeakPolarHBondContact CB-O 3.48Å; S51-T303 WeakPolarHBondContact OG-CB 3.46Å; S51-T303 PolarHBondContact OG-O 2.99Å; S51-T303 PolarHBondContact OG-OG1 3.1Å |
| 52 | V | 93 | Very high | 91.3 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 26% | 0.261 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -52.2 | -179.4 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | V48 G54 V56 S87 | V48-V52 HydrophobicContact CG1-CG2 4.17Å; V48-V52 VanDerWaalsContact O-CB 3.28Å; V48-V52 WeakPolarHBondContact O-CB 3.18Å; V48-V52 VanDerWaalsContact O-CG2 3.22Å; V48-V52 WeakPolarHBondContact O-CG2 3.34Å; V48-V52 PolarHBondContact O-N 2.81Å; V52-G54 PolarHBondContact O-N 3.18Å; V52-V56 HydrophobicContact CG1-CG2 4.17Å; V52-V56 WeakPolarHBondContact O-CB 3.41Å; V52-V56 WeakPolarHBondContact O-CG2 3.08Å; V52-V56 PolarHBondContact O-N 3.29Å; V52-S87 WeakPolarHBondContact CG2-OG 3.45Å |
| 53 | V | 93.4 | Very high | 91.3 | Very high | 66 Ų | 66 | 38.4 Ų | 38.4 | 40% | 0.4 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -45.4 | -178.6 | 172.9 | 0 | 0 | 0 | 0 | 111 | V49 T57 F325 | V49-V53 HydrophobicContact CG1-CG2 4.44Å; V49-V53 VanDerWaalsContact O-CB 3.25Å; V49-V53 WeakPolarHBondContact O-CB 3.42Å; V49-V53 WeakPolarHBondContact O-CG2 3.33Å; V49-V53 PolarHBondContact O-N 3.17Å; V53-T57 WeakPolarHBondContact O-CB 3.48Å; V53-T57 PolarHBondContact O-N 3.27Å; V53-T57 PolarHBondContact O-OG1 3.32Å; V53-F325 HydrophobicContact CG1-CE1 4.12Å; V53-F325 HydrophobicContact CG1-CZ 3.75Å |
| 54 | G | 93.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -52.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V50 V52 T57 V58 P307 | V50-G54 WeakPolarHBondContact O-CA 3.33Å; V50-G54 PolarHBondContact O-N 3.29Å; V52-G54 PolarHBondContact O-N 3.18Å; G54-T57 WeakPolarHBondContact O-CB 3.47Å; G54-T57 PolarHBondContact O-N 2.98Å; G54-V58 WeakPolarHBondContact O-CG2 3.39Å; G54-V58 PolarHBondContact O-N 3.17Å; G54-P307 VanDerWaalsContact C-CG 3.42Å |
| 55 | N | 94.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.1 | -34.4 | -176.5 | -77.8 | -57.1 | 0 | 0 | 0 | 113 | S51 T57 V58 I59 A80 E83 V84 T303 P307 | S51-N55 VanDerWaalsContact O-CB 3.27Å; S51-N55 WeakPolarHBondContact O-CB 3.44Å; S51-N55 PolarHBondContact O-N 3.11Å; S51-N55 PolarHBondContact O-ND2 3.13Å; S51-N55 PolarHBondContact OG-ND2 3.48Å; N55-T57 VanDerWaalsContact C-N 3.27Å; N55-T57 PolarHBondContact O-N 3.33Å; N55-V58 WeakPolarHBondContact O-CB 3.41Å; N55-V58 PolarHBondContact O-N 3.48Å; N55-I59 WeakPolarHBondContact O-CG1 3.16Å; N55-I59 PolarHBondContact O-N 2.68Å; N55-A80 HydrophobicContact CB-CB 4.04Å; N55-E83 PolarHBondContact ND2-OE2 3.46Å; N55-E83 PolarHBondContact OD1-OE2 3.23Å; N55-V84 HydrophobicContact CB-CG2 3.42Å; N55-V84 VanDerWaalsContact CB-CG2 3.42Å; N55-T303 PolarHBondContact ND2-O 3.42Å; N55-T303 VanDerWaalsContact ND2-O 3.07Å; N55-P307 HydrophobicContact CB-CG 4.37Å; N55-P307 WeakPolarHBondContact OD1-CG 3.47Å |
| 56 | V | 94.9 | Very high | 90.6 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 169.8 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | V52 I59 W60 V84 | V52-V56 HydrophobicContact CG1-CG2 4.17Å; V52-V56 WeakPolarHBondContact O-CB 3.41Å; V52-V56 WeakPolarHBondContact O-CG2 3.08Å; V52-V56 PolarHBondContact O-N 3.29Å; V56-I59 WeakPolarHBondContact O-CB 3.49Å; V56-I59 PolarHBondContact O-N 3.13Å; V56-W60 WeakPolarHBondContact O-CB 3.38Å; V56-W60 PolarHBondContact O-N 2.83Å; V56-V84 HydrophobicContact CG2-CG1 4.3Å; V56-V84 HydrophobicContact CG2-CG2 4Å |
| 57 | T | 92.2 | Very high | 89.9 | Confident | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.092 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | V53 G54 N55 I59 W60 I61 F321 A324 | V53-T57 WeakPolarHBondContact O-CB 3.48Å; V53-T57 PolarHBondContact O-N 3.27Å; V53-T57 PolarHBondContact O-OG1 3.32Å; G54-T57 WeakPolarHBondContact O-CB 3.47Å; G54-T57 PolarHBondContact O-N 2.98Å; N55-T57 VanDerWaalsContact C-N 3.27Å; N55-T57 PolarHBondContact O-N 3.33Å; T57-I59 PolarHBondContact O-N 3.39Å; T57-W60 PolarHBondContact O-N 3.31Å; T57-I61 HydrophobicContact CG2-CD1 3.96Å; T57-I61 HydrophobicContact CG2-CG1 4.35Å; T57-I61 VanDerWaalsContact O-CG1 3.25Å; T57-I61 WeakPolarHBondContact O-CG1 3.44Å; T57-I61 PolarHBondContact O-N 2.99Å; T57-F321 HydrophobicContact CG2-CD1 3.46Å; T57-F321 VanDerWaalsContact CG2-CD1 3.46Å; T57-F321 HydrophobicContact CG2-CE1 3.52Å; T57-F321 HydrophobicContact CG2-CG 4.33Å; T57-F321 HydrophobicContact CG2-CZ 4.41Å; T57-A324 HydrophobicContact CG2-CB 3.66Å |
| 58 | V | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -47.3 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | G54 N55 W60 I61 I62 A80 P307 Y310 F317 F321 | G54-V58 WeakPolarHBondContact O-CG2 3.39Å; G54-V58 PolarHBondContact O-N 3.17Å; N55-V58 WeakPolarHBondContact O-CB 3.41Å; N55-V58 PolarHBondContact O-N 3.48Å; V58-W60 VanDerWaalsContact C-N 3.34Å; V58-W60 PolarHBondContact O-N 3.39Å; V58-I61 PolarHBondContact O-N 3.11Å; V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 WeakPolarHBondContact O-CG1 3.38Å; V58-I62 PolarHBondContact O-N 2.98Å; V58-A80 HydrophobicContact CB-CB 4.29Å; V58-A80 HydrophobicContact CG1-CB 4.05Å; V58-P307 HydrophobicContact CG2-CB 4.2Å; V58-P307 HydrophobicContact CG2-CG 4.3Å; V58-Y310 HydrophobicContact CG2-CD2 4.03Å; V58-F317 HydrophobicContact CG1-CE1 4.15Å; V58-F321 HydrophobicContact CG2-CE2 4.39Å; V58-F321 HydrophobicContact CG2-CZ 3.77Å |
| 59 | I | 93.9 | Very high | 89.1 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.2 | -50.4 | 175.9 | -69.3 | 165 | 0 | 0 | 0 | 110 | N55 V56 T57 I61 I62 M63 L77 A80 V84 | N55-I59 WeakPolarHBondContact O-CG1 3.16Å; N55-I59 PolarHBondContact O-N 2.68Å; V56-I59 WeakPolarHBondContact O-CB 3.49Å; V56-I59 PolarHBondContact O-N 3.13Å; T57-I59 PolarHBondContact O-N 3.39Å; I59-I61 PolarHBondContact O-N 2.94Å; I59-I62 PolarHBondContact O-N 3.39Å; I59-M63 HydrophobicContact CG2-CG 4.38Å; I59-M63 HydrophobicContact CG2-SD 3.66Å; I59-M63 WeakPolarHBondContact O-CB 3.41Å; I59-M63 WeakPolarHBondContact O-CG 3.27Å; I59-M63 PolarHBondContact O-N 2.94Å; I59-L77 HydrophobicContact CB-CD1 4.06Å; I59-L77 HydrophobicContact CG1-CD1 3.91Å; I59-L77 HydrophobicContact CG2-CD1 3.92Å; I59-A80 HydrophobicContact CD1-CB 4.21Å; I59-A80 HydrophobicContact CG1-CB 3.77Å; I59-V84 HydrophobicContact CD1-CG2 4.3Å |
| 60 | W | 92.6 | Very high | 88.8 | Confident | 106 Ų | 106 | 54 Ų | 54 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 179.7 | 177.8 | 81.1 | 0 | 0 | 0 | 112.6 | V56 T57 V58 I62 M63 A64 Q323 A324 | V56-W60 WeakPolarHBondContact O-CB 3.38Å; V56-W60 PolarHBondContact O-N 2.83Å; T57-W60 PolarHBondContact O-N 3.31Å; V58-W60 VanDerWaalsContact C-N 3.34Å; V58-W60 PolarHBondContact O-N 3.39Å; W60-I62 VanDerWaalsContact C-N 3.31Å; W60-I62 PolarHBondContact O-N 3.27Å; W60-M63 PolarHBondContact O-N 3.33Å; W60-A64 HydrophobicContact CZ2-CB 4.39Å; W60-A64 WeakPolarHBondContact O-CB 3.3Å; W60-A64 PolarHBondContact O-N 3.15Å; W60-Q323 HydrophobicContact CH2-CG 3.97Å; W60-A324 HydrophobicContact CE3-CB 4.15Å; W60-A324 HydrophobicContact CZ3-CB 3.93Å |
| 61 | I | 89.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 179.1 | -69.4 | 166 | 0 | 0 | 0 | 110.9 | T57 V58 I59 H65 M68 F317 F321 | T57-I61 HydrophobicContact CG2-CD1 3.96Å; T57-I61 HydrophobicContact CG2-CG1 4.35Å; T57-I61 VanDerWaalsContact O-CG1 3.25Å; T57-I61 WeakPolarHBondContact O-CG1 3.44Å; T57-I61 PolarHBondContact O-N 2.99Å; V58-I61 PolarHBondContact O-N 3.11Å; I59-I61 PolarHBondContact O-N 2.94Å; I61-H65 PolarHBondContact O-CD2 3.06Å; I61-H65 VanDerWaalsContact O-CD2 3.29Å; I61-H65 PolarHBondContact O-N 3.46Å; I61-M68 HydrophobicContact CG2-CE 4.41Å; I61-F317 HydrophobicContact CD1-CD1 4.14Å; I61-F317 HydrophobicContact CG2-CD1 4.05Å; I61-F317 HydrophobicContact CG2-CE1 4.15Å; I61-F321 HydrophobicContact CD1-CD2 4.05Å; I61-F321 HydrophobicContact CD1-CE2 4.2Å; I61-F321 HydrophobicContact CD1-CG 4.23Å |
| 62 | I | 90.3 | Very high | 88 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.2 | -41 | -177.5 | -63.1 | 165 | 0 | 0 | 0 | 110.8 | V58 I59 W60 N73 L76 L77 F317 | V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 WeakPolarHBondContact O-CG1 3.38Å; V58-I62 PolarHBondContact O-N 2.98Å; I59-I62 PolarHBondContact O-N 3.39Å; W60-I62 VanDerWaalsContact C-N 3.31Å; W60-I62 PolarHBondContact O-N 3.27Å; I62-N73 HydrophobicContact CD1-CB 4.45Å; I62-N73 HydrophobicContact CG1-CB 4.47Å; I62-N73 HydrophobicContact CG2-CB 4.35Å; I62-L76 HydrophobicContact CD1-CB 4.12Å; I62-L77 HydrophobicContact CB-CD1 4.47Å; I62-L77 HydrophobicContact CD1-CB 4.25Å; I62-F317 HydrophobicContact CD1-CE1 4.28Å; I62-F317 HydrophobicContact CD1-CZ 4.23Å; I62-F317 HydrophobicContact CG1-CE1 4.07Å; I62-F317 HydrophobicContact CG1-CZ 4.18Å |
| 63 | M | 88.9 | Confident | 87.8 | Confident | 113 Ų | 113 | 50.8 Ų | 50.8 | 56% | 0.557 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -71.9 | -42.8 | -179 | -71.1 | -176 | 69.9 | 0 | 0 | 112.6 | I59 W60 R69 L77 | I59-M63 HydrophobicContact CG2-CG 4.38Å; I59-M63 HydrophobicContact CG2-SD 3.66Å; I59-M63 WeakPolarHBondContact O-CB 3.41Å; I59-M63 WeakPolarHBondContact O-CG 3.27Å; I59-M63 PolarHBondContact O-N 2.94Å; W60-M63 PolarHBondContact O-N 3.33Å; M63-R69 PolarHBondContact O-NH2 3.36Å; M63-L77 HydrophobicContact CG-CD1 4.37Å |
| 64 | A | 85 | Confident | 87.6 | Confident | 52 Ų | 52 | 50.9 Ų | 50.9 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.6 | -36.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W60 | W60-A64 HydrophobicContact CZ2-CB 4.39Å; W60-A64 WeakPolarHBondContact O-CB 3.3Å; W60-A64 PolarHBondContact O-N 3.15Å |
| 65 | H | 83.4 | Confident | 87.5 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 30% | 0.296 | 24% | 0.238 | S | C | . | . | trans | -103.2 | 104.7 | -175.7 | -62.9 | -72.7 | 0 | 0 | 0 | 112.3 | I61 R67 M68 | I61-H65 PolarHBondContact O-CD2 3.06Å; I61-H65 VanDerWaalsContact O-CD2 3.29Å; I61-H65 PolarHBondContact O-N 3.46Å; H65-R67 PolarHBondContact O-N 3.3Å; H65-M68 HydrophobicContact CB-CB 4.24Å; H65-M68 HydrophobicContact CB-CG 3.98Å; H65-M68 WeakPolarHBondContact O-CB 3.43Å; H65-M68 PolarHBondContact O-N 3.11Å | ||
| 66 | K | 79.4 | Confident | 87.4 | Confident | 170 Ų | 170 | 50.9 Ų | 50.9 | 74% | 0.739 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -50.2 | -37 | 177.3 | -69.3 | -176.1 | -178.5 | 178.7 | 0 | 113.3 | M68 R69 | K66-M68 PolarHBondContact O-N 3.47Å; K66-R69 WeakPolarHBondContact O-CB 3.3Å; K66-R69 WeakPolarHBondContact O-CG 3.37Å; K66-R69 PolarHBondContact O-N 3.4Å; K66-R69 VanDerWaalsContact O-N 3.11Å |
| 67 | R | 75.6 | Confident | 87.2 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -68.1 | -20.3 | 179.8 | -165.3 | -179.2 | -177.1 | -169.6 | 13.4 | 114.1 | H65 R69 S343 | H65-R67 PolarHBondContact O-N 3.3Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-S343 VanDerWaalsContact CZ-OG 3.25Å; R67-S343 PolarHBondContact NH1-OG 3.03Å; R67-S343 PolarHBondContact NH2-OG 3.09Å |
| 68 | M | 79.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -87.6 | 1.4 | 175.1 | -66.5 | -67.4 | -78.7 | 0 | 0 | 112.1 | I61 H65 K66 T70 N73 R316 F317 | I61-M68 HydrophobicContact CG2-CE 4.41Å; H65-M68 HydrophobicContact CB-CB 4.24Å; H65-M68 HydrophobicContact CB-CG 3.98Å; H65-M68 WeakPolarHBondContact O-CB 3.43Å; H65-M68 PolarHBondContact O-N 3.11Å; K66-M68 PolarHBondContact O-N 3.47Å; M68-T70 PolarHBondContact O-N 2.99Å; M68-N73 WeakPolarHBondContact O-CB 3.42Å; M68-N73 VanDerWaalsContact O-CG 3.32Å; M68-N73 PolarHBondContact O-ND2 3.28Å; M68-R316 HydrophobicContact CE-CB 4.03Å; M68-R316 HydrophobicContact SD-CB 4.03Å; M68-F317 HydrophobicContact CE-CD1 4.43Å; M68-F317 HydrophobicContact CE-CD2 4.12Å; M68-F317 HydrophobicContact CE-CE1 4.18Å; M68-F317 HydrophobicContact CE-CE2 3.85Å; M68-F317 HydrophobicContact CE-CG 4.4Å; M68-F317 HydrophobicContact CE-CZ 3.88Å |
| 69 | R | 83.4 | Confident | 87.3 | Confident | 116 Ų | 116 | 49.5 Ų | 49.5 | 44% | 0.438 | 23% | 0.23 | S | C | . | . | trans | -83.8 | 65.5 | 178.5 | -59 | 179 | -174.5 | 176.3 | -1.3 | 111.3 | M63 K66 R67 | M63-R69 PolarHBondContact O-NH2 3.36Å; K66-R69 WeakPolarHBondContact O-CB 3.3Å; K66-R69 WeakPolarHBondContact O-CG 3.37Å; K66-R69 PolarHBondContact O-N 3.4Å; K66-R69 VanDerWaalsContact O-N 3.11Å; R67-R69 VanDerWaalsContact C-N 3.32Å | ||
| 70 | T | 85.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 33% | 0.331 | 22% | 0.221 | S | C | . | . | trans | -99.6 | 160.7 | 174.7 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | M68 T72 N73 Y74 | M68-T70 PolarHBondContact O-N 2.99Å; T70-T72 VanDerWaalsContact C-N 3.33Å; T70-T72 PolarHBondContact O-N 2.72Å; T70-N73 CarbonylContact O-C 3.26Å; T70-N73 WeakPolarHBondContact O-CA 3.21Å; T70-N73 WeakPolarHBondContact O-CB 3.47Å; T70-N73 PolarHBondContact O-N 2.9Å; T70-N73 VanDerWaalsContact OG1-CG 3.27Å; T70-N73 PolarHBondContact OG1-ND2 2.89Å; T70-Y74 WeakPolarHBondContact O-CD2 3.46Å; T70-Y74 PolarHBondContact O-N 2.98Å | ||
| 71 | V | 83.1 | Confident | 87.3 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -49.1 | -51.5 | 177.4 | 169 | 0 | 0 | 0 | 0 | 112.2 | N73 Y74 F75 M147 T152 | V71-N73 PolarHBondContact O-N 2.81Å; V71-Y74 WeakPolarHBondContact O-CB 3.44Å; V71-Y74 PolarHBondContact O-N 2.91Å; V71-Y74 VanDerWaalsContact O-N 3.11Å; V71-F75 HydrophobicContact CG1-CE2 4.16Å; V71-F75 PolarHBondContact O-N 3.37Å; V71-M147 HydrophobicContact CG1-CB 4.36Å; V71-M147 HydrophobicContact CG1-CE 4.11Å; V71-M147 WeakPolarHBondContact CG2-O 3.46Å; V71-T152 HydrophobicContact CG1-CG2 4.23Å; V71-T152 VanDerWaalsContact CG1-OG1 3.3Å; V71-T152 WeakPolarHBondContact CG1-OG1 2.96Å |
| 72 | T | 84.8 | Confident | 87.5 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -36.1 | 178 | -37.5 | 0 | 0 | 0 | 0 | 111.9 | T70 F75 L76 I131 D134 R135 | T70-T72 VanDerWaalsContact C-N 3.33Å; T70-T72 PolarHBondContact O-N 2.72Å; T72-F75 PolarHBondContact O-N 3.4Å; T72-L76 WeakPolarHBondContact O-CG 3.33Å; T72-L76 PolarHBondContact O-N 3.26Å; T72-L76 VanDerWaalsContact O-N 3.09Å; T72-I131 HydrophobicContact CG2-CB 4.36Å; T72-I131 HydrophobicContact CG2-CG1 4.1Å; T72-I131 HydrophobicContact CG2-CG2 3.59Å; T72-D134 PolarHBondContact OG1-OD2 3.05Å; T72-R135 PolarHBondContact OG1-NH2 3.49Å |
| 73 | N | 88.3 | Confident | 87.6 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.3 | -23 | 179.9 | -68.5 | -3.2 | 0 | 0 | 0 | 112.6 | I62 M68 T70 V71 L76 L77 | I62-N73 HydrophobicContact CD1-CB 4.45Å; I62-N73 HydrophobicContact CG1-CB 4.47Å; I62-N73 HydrophobicContact CG2-CB 4.35Å; M68-N73 WeakPolarHBondContact O-CB 3.42Å; M68-N73 VanDerWaalsContact O-CG 3.32Å; M68-N73 PolarHBondContact O-ND2 3.28Å; T70-N73 CarbonylContact O-C 3.26Å; T70-N73 WeakPolarHBondContact O-CA 3.21Å; T70-N73 WeakPolarHBondContact O-CB 3.47Å; T70-N73 PolarHBondContact O-N 2.9Å; T70-N73 VanDerWaalsContact OG1-CG 3.27Å; T70-N73 PolarHBondContact OG1-ND2 2.89Å; V71-N73 PolarHBondContact O-N 2.81Å; N73-L76 PolarHBondContact O-N 3.4Å; N73-L77 WeakPolarHBondContact O-CB 3.37Å; N73-L77 PolarHBondContact O-N 3.16Å |
| 74 | Y | 89.9 | Confident | 87.8 | Confident | 68 Ų | 68 | 43.9 Ų | 43.9 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 168 | -78.1 | -67.6 | 0 | 0 | 0 | 112 | T70 V71 L77 N78 | T70-Y74 WeakPolarHBondContact O-CD2 3.46Å; T70-Y74 PolarHBondContact O-N 2.98Å; V71-Y74 WeakPolarHBondContact O-CB 3.44Å; V71-Y74 PolarHBondContact O-N 2.91Å; V71-Y74 VanDerWaalsContact O-N 3.11Å; Y74-L77 WeakPolarHBondContact O-CB 3.25Å; Y74-L77 PolarHBondContact O-N 3.18Å; Y74-N78 PolarHBondContact O-N 3.05Å |
| 75 | F | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 171.7 | -70.1 | -64.6 | 0 | 0 | 0 | 112.4 | V71 T72 L77 N78 L79 A130 I131 M147 T152 V155 V156 | V71-F75 HydrophobicContact CG1-CE2 4.16Å; V71-F75 PolarHBondContact O-N 3.37Å; T72-F75 PolarHBondContact O-N 3.4Å; F75-L77 VanDerWaalsContact C-N 3.27Å; F75-L77 PolarHBondContact O-N 2.92Å; F75-N78 PolarHBondContact O-N 3.14Å; F75-L79 WeakPolarHBondContact O-CB 3.33Å; F75-L79 PolarHBondContact O-N 3.02Å; F75-A130 HydrophobicContact CD1-CB 3.92Å; F75-A130 HydrophobicContact CD2-CB 4.32Å; F75-A130 HydrophobicContact CE1-CB 3.54Å; F75-A130 HydrophobicContact CE2-CB 3.96Å; F75-A130 HydrophobicContact CG-CB 4.3Å; F75-A130 HydrophobicContact CZ-CB 3.56Å; F75-I131 HydrophobicContact CB-CD1 3.62Å; F75-I131 HydrophobicContact CB-CG1 3.4Å; F75-I131 VanDerWaalsContact CB-CG1 3.4Å; F75-I131 HydrophobicContact CD2-CG1 4.18Å; F75-I131 HydrophobicContact CG-CG1 4.05Å; F75-M147 HydrophobicContact CE2-CE 3.89Å; F75-M147 HydrophobicContact CZ-CE 4.35Å; F75-T152 HydrophobicContact CD2-CG2 4.23Å; F75-T152 HydrophobicContact CE1-CG2 4.29Å; F75-T152 HydrophobicContact CE2-CG2 3.78Å; F75-T152 HydrophobicContact CZ-CG2 3.81Å; F75-V155 HydrophobicContact CE1-CB 4.44Å; F75-V155 HydrophobicContact CE1-CG1 3.88Å; F75-V155 HydrophobicContact CZ-CB 4.34Å; F75-V155 HydrophobicContact CZ-CG1 3.96Å; F75-V156 HydrophobicContact CD1-CG2 4.03Å; F75-V156 HydrophobicContact CE1-CG2 3.92Å |
| 76 | L | 90.8 | Very high | 88.3 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -35.3 | 172.8 | -66.6 | 179.1 | 0 | 0 | 0 | 112.3 | I62 T72 N73 L79 A80 I131 Y310 F317 | I62-L76 HydrophobicContact CD1-CB 4.12Å; T72-L76 WeakPolarHBondContact O-CG 3.33Å; T72-L76 PolarHBondContact O-N 3.26Å; T72-L76 VanDerWaalsContact O-N 3.09Å; N73-L76 PolarHBondContact O-N 3.4Å; L76-L79 HydrophobicContact CD2-CD2 4.43Å; L76-A80 WeakPolarHBondContact O-CB 3.42Å; L76-A80 PolarHBondContact O-N 2.97Å; L76-I131 HydrophobicContact CD2-CD1 3.74Å; L76-I131 HydrophobicContact CG-CD1 4.2Å; L76-Y310 HydrophobicContact CD2-CE1 4.09Å; L76-Y310 HydrophobicContact CD2-CE2 3.91Å; L76-Y310 VanDerWaalsContact CD2-OH 3.28Å; L76-Y310 WeakPolarHBondContact CD2-OH 3.49Å; L76-F317 HydrophobicContact CD1-CE2 3.82Å; L76-F317 HydrophobicContact CD1-CZ 3.77Å |
| 77 | L | 92.6 | Very high | 88.7 | Confident | 42 Ų | 42 | 31 Ų | 31 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -45.5 | 173.9 | -174.9 | 73.7 | 0 | 0 | 0 | 111.3 | I59 I62 M63 N73 Y74 F75 A80 F81 | I59-L77 HydrophobicContact CB-CD1 4.06Å; I59-L77 HydrophobicContact CG1-CD1 3.91Å; I59-L77 HydrophobicContact CG2-CD1 3.92Å; I62-L77 HydrophobicContact CB-CD1 4.47Å; I62-L77 HydrophobicContact CD1-CB 4.25Å; M63-L77 HydrophobicContact CG-CD1 4.37Å; N73-L77 WeakPolarHBondContact O-CB 3.37Å; N73-L77 PolarHBondContact O-N 3.16Å; Y74-L77 WeakPolarHBondContact O-CB 3.25Å; Y74-L77 PolarHBondContact O-N 3.18Å; F75-L77 VanDerWaalsContact C-N 3.27Å; F75-L77 PolarHBondContact O-N 2.92Å; L77-A80 PolarHBondContact O-N 3.28Å; L77-F81 WeakPolarHBondContact O-CB 3.34Å; L77-F81 PolarHBondContact O-N 2.95Å |
| 78 | N | 93.5 | Very high | 89.2 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.08 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.4 | -174.8 | 60.6 | 0 | 0 | 0 | 111.7 | Y74 F75 F81 A82 S127 V156 W160 | Y74-N78 PolarHBondContact O-N 3.05Å; F75-N78 PolarHBondContact O-N 3.14Å; N78-F81 PolarHBondContact O-N 3.25Å; N78-A82 PolarHBondContact O-N 3.48Å; N78-S127 PolarHBondContact ND2-OG 3.02Å; N78-V156 HydrophobicContact CB-CG1 4.32Å; N78-V156 HydrophobicContact CB-CG2 4.35Å; N78-V156 WeakPolarHBondContact OD1-CG1 3.48Å; N78-W160 PolarHBondContact OD1-NE1 3.12Å |
| 79 | L | 92 | Very high | 89.5 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.6 | -52.6 | 174.6 | 175.4 | 64 | 0 | 0 | 0 | 111.3 | F75 L76 F81 A82 E83 S124 M128 Y310 | F75-L79 WeakPolarHBondContact O-CB 3.33Å; F75-L79 PolarHBondContact O-N 3.02Å; L76-L79 HydrophobicContact CD2-CD2 4.43Å; L79-F81 VanDerWaalsContact C-N 3.28Å; L79-F81 PolarHBondContact O-N 3.29Å; L79-A82 PolarHBondContact O-N 2.91Å; L79-E83 HydrophobicContact CD1-CG 4.36Å; L79-E83 WeakPolarHBondContact O-CG 3.44Å; L79-E83 PolarHBondContact O-N 3.33Å; L79-S124 WeakPolarHBondContact CD1-OG 3.2Å; L79-M128 HydrophobicContact CD2-CG 4.22Å; L79-Y310 WeakPolarHBondContact CD2-OH 3.31Å |
| 80 | A | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -37.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N55 V58 I59 L76 L77 V84 | N55-A80 HydrophobicContact CB-CB 4.04Å; V58-A80 HydrophobicContact CB-CB 4.29Å; V58-A80 HydrophobicContact CG1-CB 4.05Å; I59-A80 HydrophobicContact CD1-CB 4.21Å; I59-A80 HydrophobicContact CG1-CB 3.77Å; L76-A80 WeakPolarHBondContact O-CB 3.42Å; L76-A80 PolarHBondContact O-N 2.97Å; L77-A80 PolarHBondContact O-N 3.28Å; A80-V84 VanDerWaalsContact O-CG2 3.27Å; A80-V84 WeakPolarHBondContact O-CG2 3.39Å; A80-V84 PolarHBondContact O-N 3.28Å |
| 81 | F | 93.8 | Very high | 89.5 | Confident | 107 Ų | 107 | 23 Ų | 23 | 47% | 0.469 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 175.5 | 173.8 | -101.2 | 0 | 0 | 0 | 112.6 | L77 N78 L79 E83 S85 W160 | L77-F81 WeakPolarHBondContact O-CB 3.34Å; L77-F81 PolarHBondContact O-N 2.95Å; N78-F81 PolarHBondContact O-N 3.25Å; L79-F81 VanDerWaalsContact C-N 3.28Å; L79-F81 PolarHBondContact O-N 3.29Å; F81-E83 VanDerWaalsContact C-N 3.35Å; F81-E83 PolarHBondContact O-N 3.37Å; F81-S85 WeakPolarHBondContact O-CB 3.36Å; F81-S85 PolarHBondContact O-N 3.03Å; F81-S85 PolarHBondContact O-OG 2.95Å; F81-W160 AromaticContact CD1-CZ2 3.99Å; F81-W160 HydrophobicContact CD1-CZ2 3.99Å; F81-W160 HydrophobicContact CE1-CH2 4.33Å; F81-W160 AromaticContact CE1-CZ2 3.98Å; F81-W160 HydrophobicContact CE1-CZ2 3.98Å |
| 82 | A | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N78 L79 S85 M86 A123 W160 | N78-A82 PolarHBondContact O-N 3.48Å; L79-A82 PolarHBondContact O-N 2.91Å; A82-S85 PolarHBondContact O-N 3.12Å; A82-M86 WeakPolarHBondContact O-CB 3.39Å; A82-M86 PolarHBondContact O-N 3.32Å; A82-A123 HydrophobicContact CB-CB 4.36Å; A82-W160 HydrophobicContact CB-CZ2 4.38Å |
| 83 | E | 92.1 | Very high | 89.5 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 179.7 | -68.2 | -171.9 | 160.8 | 0 | 0 | 113.8 | N55 L79 F81 S85 M86 S87 T303 N306 | N55-E83 PolarHBondContact ND2-OE2 3.46Å; N55-E83 PolarHBondContact OD1-OE2 3.23Å; L79-E83 HydrophobicContact CD1-CG 4.36Å; L79-E83 WeakPolarHBondContact O-CG 3.44Å; L79-E83 PolarHBondContact O-N 3.33Å; F81-E83 VanDerWaalsContact C-N 3.35Å; F81-E83 PolarHBondContact O-N 3.37Å; E83-S85 VanDerWaalsContact C-N 3.32Å; E83-S85 PolarHBondContact O-N 3.1Å; E83-M86 PolarHBondContact O-N 3.34Å; E83-S87 WeakPolarHBondContact O-CB 3.47Å; E83-S87 PolarHBondContact O-N 3.42Å; E83-S87 PolarHBondContact O-OG 3.32Å; E83-T303 HydrophobicContact CG-CG2 4.26Å; E83-N306 PolarHBondContact OE1-ND2 2.91Å |
| 84 | V | 92.4 | Very high | 89.2 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 16% | 0.158 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | N55 V56 I59 A80 M86 S87 A88 | N55-V84 HydrophobicContact CB-CG2 3.42Å; N55-V84 VanDerWaalsContact CB-CG2 3.42Å; V56-V84 HydrophobicContact CG2-CG1 4.3Å; V56-V84 HydrophobicContact CG2-CG2 4Å; I59-V84 HydrophobicContact CD1-CG2 4.3Å; A80-V84 VanDerWaalsContact O-CG2 3.27Å; A80-V84 WeakPolarHBondContact O-CG2 3.39Å; A80-V84 PolarHBondContact O-N 3.28Å; V84-M86 VanDerWaalsContact C-N 3.32Å; V84-M86 PolarHBondContact O-N 3.49Å; V84-S87 WeakPolarHBondContact CA-OG 3.42Å; V84-S87 PolarHBondContact O-N 2.94Å; V84-S87 PolarHBondContact O-OG 3.01Å; V84-A88 VanDerWaalsContact O-CB 3.22Å; V84-A88 WeakPolarHBondContact O-CB 3.17Å; V84-A88 PolarHBondContact O-N 3.18Å |
| 85 | S | 90.3 | Very high | 88.6 | Confident | 11 Ų | 11 | 26.1 Ų | 26.1 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | -179.6 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | F81 A82 E83 F89 | F81-S85 WeakPolarHBondContact O-CB 3.36Å; F81-S85 PolarHBondContact O-N 3.03Å; F81-S85 PolarHBondContact O-OG 2.95Å; A82-S85 PolarHBondContact O-N 3.12Å; E83-S85 VanDerWaalsContact C-N 3.32Å; E83-S85 PolarHBondContact O-N 3.1Å; S85-F89 WeakPolarHBondContact O-CB 3.49Å; S85-F89 WeakPolarHBondContact O-CD2 3.43Å; S85-F89 PolarHBondContact O-N 2.9Å |
| 86 | M | 89.7 | Confident | 88.1 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.4 | -47.3 | 179.4 | -173.1 | -175.1 | -151.5 | 0 | 0 | 111.7 | A82 E83 V84 N90 T91 F116 P117 A120 V121 W266 M300 T303 | A82-M86 WeakPolarHBondContact O-CB 3.39Å; A82-M86 PolarHBondContact O-N 3.32Å; E83-M86 PolarHBondContact O-N 3.34Å; V84-M86 VanDerWaalsContact C-N 3.32Å; V84-M86 PolarHBondContact O-N 3.49Å; M86-N90 WeakPolarHBondContact O-CA 3.42Å; M86-N90 VanDerWaalsContact O-CB 3.23Å; M86-N90 WeakPolarHBondContact O-CB 3.3Å; M86-N90 PolarHBondContact O-N 2.94Å; M86-T91 PolarHBondContact O-N 3.4Å; M86-F116 HydrophobicContact CB-CE1 4.44Å; M86-P117 HydrophobicContact CE-CB 3.61Å; M86-A120 HydrophobicContact CB-CB 3.94Å; M86-A120 HydrophobicContact CG-CB 4.25Å; M86-A120 HydrophobicContact SD-CB 4.28Å; M86-V121 HydrophobicContact CE-CG2 3.31Å; M86-V121 HydrophobicContact SD-CG2 4.05Å; M86-W266 HydrophobicContact CE-CH2 4.48Å; M86-M300 HydrophobicContact CE-CE 4.39Å; M86-M300 HydrophobicContact CE-SD 4.2Å; M86-M300 HydrophobicContact CG-CE 4.28Å; M86-M300 HydrophobicContact SD-CE 4.39Å; M86-T303 HydrophobicContact SD-CG2 4.3Å |
| 87 | S | 88.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -65.1 | -39.9 | -179.8 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | V52 E83 V84 T91 | V52-S87 WeakPolarHBondContact CG2-OG 3.45Å; E83-S87 WeakPolarHBondContact O-CB 3.47Å; E83-S87 PolarHBondContact O-N 3.42Å; E83-S87 PolarHBondContact O-OG 3.32Å; V84-S87 WeakPolarHBondContact CA-OG 3.42Å; V84-S87 PolarHBondContact O-N 2.94Å; V84-S87 PolarHBondContact O-OG 3.01Å; S87-T91 WeakPolarHBondContact CA-OG1 3.28Å; S87-T91 WeakPolarHBondContact O-CB 3.42Å |
| 88 | A | 85.6 | Confident | 86.7 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 35% | 0.347 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -70.2 | -47.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V84 | V84-A88 VanDerWaalsContact O-CB 3.22Å; V84-A88 WeakPolarHBondContact O-CB 3.17Å; V84-A88 PolarHBondContact O-N 3.18Å |
| 89 | F | 85.9 | Confident | 85.8 | Confident | 100 Ų | 100 | 31 Ų | 31 | 44% | 0.439 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -92 | -29.7 | -171.5 | -61.7 | -57.4 | 0 | 0 | 0 | 114.4 | S85 I93 Y109 F112 | S85-F89 WeakPolarHBondContact O-CB 3.49Å; S85-F89 WeakPolarHBondContact O-CD2 3.43Å; S85-F89 PolarHBondContact O-N 2.9Å; F89-I93 WeakPolarHBondContact O-CG1 3.36Å; F89-Y109 PolarHBondContact O-OH 3.37Å; F89-F112 HydrophobicContact CB-CE1 3.99Å; F89-F112 HydrophobicContact CG-CE1 4.3Å |
| 90 | N | 86 | Confident | 85.1 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -99.4 | -54 | -177.5 | -173.3 | -92 | 0 | 0 | 0 | 112.2 | M86 V92 I93 N94 H113 P117 | M86-N90 WeakPolarHBondContact O-CA 3.42Å; M86-N90 VanDerWaalsContact O-CB 3.23Å; M86-N90 WeakPolarHBondContact O-CB 3.3Å; M86-N90 PolarHBondContact O-N 2.94Å; N90-V92 PolarHBondContact O-N 2.89Å; N90-I93 PolarHBondContact O-N 3.26Å; N90-N94 VanDerWaalsContact O-CB 3.29Å; N90-N94 WeakPolarHBondContact O-CB 3.49Å; N90-N94 PolarHBondContact O-N 3.49Å; N90-H113 PolarHBondContact ND2-CE1 3.24Å; N90-H113 PolarHBondContact ND2-ND1 2.95Å; N90-H113 PolarHBondContact ND2-NE2 2.88Å; N90-H113 PolarHBondContact ND2-O 3.45Å; N90-H113 VanDerWaalsContact ND2-O 3.13Å; N90-P117 HydrophobicContact CB-CG 3.99Å; N90-P117 VanDerWaalsContact CG-CG 3.45Å; N90-P117 WeakPolarHBondContact ND2-CG 3.22Å |
| 91 | T | 82.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -61.9 | -42.3 | -171.8 | -49.1 | 0 | 0 | 0 | 0 | 112.9 | Y44 V48 M86 S87 I93 F95 M300 | Y44-T91 HydrophobicContact CD1-CG2 4Å; V48-T91 HydrophobicContact CG2-CG2 3.41Å; V48-T91 VanDerWaalsContact CG2-CG2 3.41Å; M86-T91 PolarHBondContact O-N 3.4Å; S87-T91 WeakPolarHBondContact CA-OG1 3.28Å; S87-T91 WeakPolarHBondContact O-CB 3.42Å; T91-I93 VanDerWaalsContact C-N 3.32Å; T91-I93 PolarHBondContact O-N 3.09Å; T91-F95 WeakPolarHBondContact O-CB 3.19Å; T91-F95 PolarHBondContact O-N 2.87Å; T91-M300 WeakPolarHBondContact OG1-CE 3.33Å |
| 92 | V | 81.9 | Confident | 83.7 | Confident | 70 Ų | 70 | 36.7 Ų | 36.7 | 42% | 0.424 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 178.6 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | V48 N90 A96 | V48-V92 HydrophobicContact CG1-CG2 4.11Å; V48-V92 HydrophobicContact CG2-CG2 4.35Å; N90-V92 PolarHBondContact O-N 2.89Å; V92-A96 PolarHBondContact O-N 2.82Å; V92-A96 VanDerWaalsContact O-N 3.08Å |
| 93 | I | 85.4 | Confident | 83.4 | Confident | 20 Ų | 20 | 37 Ų | 37 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -76.8 | -38.8 | -177 | -57.4 | -62.2 | 0 | 0 | 0 | 111.5 | F89 N90 T91 F95 A96 Y97 W103 F105 Y109 | F89-I93 WeakPolarHBondContact O-CG1 3.36Å; N90-I93 PolarHBondContact O-N 3.26Å; T91-I93 VanDerWaalsContact C-N 3.32Å; T91-I93 PolarHBondContact O-N 3.09Å; I93-F95 VanDerWaalsContact C-N 3.26Å; I93-F95 PolarHBondContact O-N 2.73Å; I93-A96 PolarHBondContact O-N 3.23Å; I93-Y97 WeakPolarHBondContact O-CB 3.29Å; I93-Y97 PolarHBondContact O-N 2.99Å; I93-W103 HydrophobicContact CG2-CH2 4.01Å; I93-W103 HydrophobicContact CG2-CZ3 4.17Å; I93-F105 HydrophobicContact CD1-CD1 4.17Å; I93-F105 HydrophobicContact CD1-CE1 3.58Å; I93-F105 HydrophobicContact CD1-CE2 4.09Å; I93-F105 HydrophobicContact CD1-CZ 3.54Å; I93-F105 HydrophobicContact CG2-CD2 3.66Å; I93-F105 HydrophobicContact CG2-CE2 3.57Å; I93-F105 HydrophobicContact CG2-CG 4.34Å; I93-F105 HydrophobicContact CG2-CZ 4.16Å; I93-Y109 HydrophobicContact CB-CE1 4.07Å; I93-Y109 HydrophobicContact CD1-CE1 4.37Å; I93-Y109 HydrophobicContact CG1-CE1 3.68Å; I93-Y109 WeakPolarHBondContact CG1-OH 3.37Å; I93-Y109 HydrophobicContact CG2-CD1 4.29Å; I93-Y109 HydrophobicContact CG2-CE1 3.77Å |
| 94 | N | 81.9 | Confident | 83.2 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 175 | -166.2 | 15.1 | 0 | 0 | 0 | 110.3 | N90 Y97 A98 | N90-N94 VanDerWaalsContact O-CB 3.29Å; N90-N94 WeakPolarHBondContact O-CB 3.49Å; N90-N94 PolarHBondContact O-N 3.49Å; N94-Y97 PolarHBondContact O-N 2.92Å; N94-A98 VanDerWaalsContact O-CB 3.26Å; N94-A98 WeakPolarHBondContact O-CB 3.5Å; N94-A98 PolarHBondContact O-N 3.35Å |
| 95 | F | 77 | Confident | 83 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 173.4 | 174.1 | -109 | 0 | 0 | 0 | 112.2 | A41 T91 I93 Y97 A98 V99 | A41-F95 HydrophobicContact CB-CD2 4.44Å; A41-F95 HydrophobicContact CB-CE1 4.19Å; A41-F95 HydrophobicContact CB-CE2 3.28Å; A41-F95 HydrophobicContact CB-CZ 3.1Å; T91-F95 WeakPolarHBondContact O-CB 3.19Å; T91-F95 PolarHBondContact O-N 2.87Å; I93-F95 VanDerWaalsContact C-N 3.26Å; I93-F95 PolarHBondContact O-N 2.73Å; F95-Y97 VanDerWaalsContact C-N 3.33Å; F95-Y97 PolarHBondContact O-N 3.03Å; F95-A98 PolarHBondContact O-N 3.19Å; F95-V99 HydrophobicContact CD2-CG2 4.08Å; F95-V99 HydrophobicContact CE1-CG2 4.08Å; F95-V99 HydrophobicContact CE2-CG2 3.33Å; F95-V99 HydrophobicContact CZ-CG2 3.34Å; F95-V99 WeakPolarHBondContact O-CG2 3.24Å; F95-V99 PolarHBondContact O-N 2.93Å |
| 96 | A | 81.6 | Confident | 83 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 22% | 0.223 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V92 I93 V99 H100 F105 | V92-A96 PolarHBondContact O-N 2.82Å; V92-A96 VanDerWaalsContact O-N 3.08Å; I93-A96 PolarHBondContact O-N 3.23Å; A96-V99 PolarHBondContact O-N 3.09Å; A96-H100 PolarHBondContact O-CD2 2.91Å; A96-H100 PolarHBondContact O-N 3.46Å; A96-H100 VanDerWaalsContact O-N 3.1Å; A96-F105 HydrophobicContact CB-CZ 4.49Å |
| 97 | Y | 82.2 | Confident | 83 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.4 | -177.1 | -122.5 | 0 | 0 | 0 | 112 | I93 N94 F95 V99 N101 E102 W103 | I93-Y97 WeakPolarHBondContact O-CB 3.29Å; I93-Y97 PolarHBondContact O-N 2.99Å; N94-Y97 PolarHBondContact O-N 2.92Å; F95-Y97 VanDerWaalsContact C-N 3.33Å; F95-Y97 PolarHBondContact O-N 3.03Å; Y97-V99 VanDerWaalsContact C-N 3.34Å; Y97-V99 PolarHBondContact O-N 3.5Å; Y97-N101 VanDerWaalsContact O-CA 3.25Å; Y97-N101 WeakPolarHBondContact O-CA 3.47Å; Y97-N101 PolarHBondContact O-N 3.22Å; Y97-E102 WeakPolarHBondContact CD2-O 3.34Å; Y97-W103 HydrophobicContact CD2-CB 4.33Å; Y97-W103 AromaticContact CD2-CE3 3.77Å; Y97-W103 HydrophobicContact CD2-CE3 3.77Å; Y97-W103 HydrophobicContact CE2-CB 4.03Å; Y97-W103 HydrophobicContact CE2-CE3 4.11Å; Y97-W103 HydrophobicContact CG-CE3 4.01Å; Y97-W103 HydrophobicContact CG-CZ3 4.36Å |
| 98 | A | 71.7 | Confident | 83.3 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -32 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N94 F95 | N94-A98 VanDerWaalsContact O-CB 3.26Å; N94-A98 WeakPolarHBondContact O-CB 3.5Å; N94-A98 PolarHBondContact O-N 3.35Å; F95-A98 PolarHBondContact O-N 3.19Å |
| 99 | V | 73.6 | Confident | 83.6 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -76.7 | -47.5 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | I37 F95 A96 Y97 | I37-V99 HydrophobicContact CG2-CB 4.45Å; I37-V99 HydrophobicContact CG2-CG1 4.2Å; I37-V99 HydrophobicContact CG2-CG2 3.89Å; F95-V99 HydrophobicContact CD2-CG2 4.08Å; F95-V99 HydrophobicContact CE1-CG2 4.08Å; F95-V99 HydrophobicContact CE2-CG2 3.33Å; F95-V99 HydrophobicContact CZ-CG2 3.34Å; F95-V99 WeakPolarHBondContact O-CG2 3.24Å; F95-V99 PolarHBondContact O-N 2.93Å; A96-V99 PolarHBondContact O-N 3.09Å; Y97-V99 VanDerWaalsContact C-N 3.34Å; Y97-V99 PolarHBondContact O-N 3.5Å |
| 100 | H | 77.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -87.6 | -19.8 | -173 | -71.4 | -86.2 | 0 | 0 | 0 | 113.2 | A96 E102 Y104 | A96-H100 PolarHBondContact O-CD2 2.91Å; A96-H100 PolarHBondContact O-N 3.46Å; A96-H100 VanDerWaalsContact O-N 3.1Å; H100-E102 HydrophobicContact CB-CB 4.48Å; H100-E102 PolarHBondContact O-N 2.98Å; H100-E102 VanDerWaalsContact O-N 3.12Å; H100-Y104 HydrophobicContact CB-CE2 3.7Å; H100-Y104 AromaticContact CG-CE2 3.84Å |
| 101 | N | 75.3 | Confident | 84.2 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | trans | 50.7 | 27.3 | -170.7 | -71.2 | -56.3 | 0 | 0 | 0 | 113.5 | Y97 | Y97-N101 VanDerWaalsContact O-CA 3.25Å; Y97-N101 WeakPolarHBondContact O-CA 3.47Å; Y97-N101 PolarHBondContact O-N 3.22Å | ||
| 102 | E | 83.4 | Confident | 84.7 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -137.4 | 136.6 | -178.1 | -72.1 | -171.5 | 170.6 | 0 | 0 | 110.4 | Y97 H100 Y104 R182 | Y97-E102 WeakPolarHBondContact CD2-O 3.34Å; H100-E102 HydrophobicContact CB-CB 4.48Å; H100-E102 PolarHBondContact O-N 2.98Å; H100-E102 VanDerWaalsContact O-N 3.12Å; E102-Y104 HydrophobicContact CB-CE1 3.84Å; E102-Y104 HydrophobicContact CB-CE2 4.14Å; E102-Y104 WeakPolarHBondContact CB-OH 3.48Å; E102-Y104 VanDerWaalsContact OE2-CE1 3.25Å; E102-Y104 WeakPolarHBondContact OE2-CE1 3.29Å; E102-Y104 VanDerWaalsContact OE2-CZ 3.3Å; E102-Y104 PolarHBondContact OE2-OH 3.38Å; E102-R182 HydrophobicContact CG-CB 3.77Å |
| 103 | W | 88.1 | Confident | 85.1 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | trans | -95.5 | 103.6 | -178.1 | -172.9 | -95.5 | 0 | 0 | 0 | 112.2 | I93 Y97 F105 G106 Y109 C110 H113 V183 C185 | I93-W103 HydrophobicContact CG2-CH2 4.01Å; I93-W103 HydrophobicContact CG2-CZ3 4.17Å; Y97-W103 HydrophobicContact CD2-CB 4.33Å; Y97-W103 AromaticContact CD2-CE3 3.77Å; Y97-W103 HydrophobicContact CD2-CE3 3.77Å; Y97-W103 HydrophobicContact CE2-CB 4.03Å; Y97-W103 HydrophobicContact CE2-CE3 4.11Å; Y97-W103 HydrophobicContact CG-CE3 4.01Å; Y97-W103 HydrophobicContact CG-CZ3 4.36Å; W103-F105 HydrophobicContact CD2-CD2 4.49Å; W103-F105 HydrophobicContact CH2-CD2 4.33Å; W103-F105 HydrophobicContact CZ2-CB 3.84Å; W103-F105 HydrophobicContact CZ2-CD2 4.26Å; W103-F105 HydrophobicContact CZ3-CD2 4.48Å; W103-G106 PolarHBondContact NE1-O 3.31Å; W103-Y109 HydrophobicContact CH2-CD1 4.02Å; W103-Y109 AromaticContact CZ2-CD1 3.86Å; W103-Y109 HydrophobicContact CZ2-CD1 3.86Å; W103-C110 HydrophobicContact CZ2-CB 3.82Å; W103-H113 HydrophobicContact CH2-CB 3.7Å; W103-H113 AromaticContact CH2-CG 3.67Å; W103-H113 HydrophobicContact CZ2-CB 4.36Å; W103-V183 HydrophobicContact CB-CB 4.34Å; W103-V183 HydrophobicContact CB-CG1 4.28Å; W103-V183 WeakPolarHBondContact CB-O 3.41Å; W103-V183 PolarHBondContact N-O 3.01Å; W103-C185 HydrophobicContact CB-CB 4.34Å; W103-C185 HydrophobicContact CD2-CB 3.49Å; W103-C185 VanDerWaalsContact CD2-CB 3.49Å; W103-C185 HydrophobicContact CE3-CB 3.67Å; W103-C185 HydrophobicContact CG-CB 3.77Å; W103-C185 HydrophobicContact CZ2-CB 4.5Å; W103-C185 HydrophobicContact CZ3-CB 4.24Å | ||
| 104 | Y | 87.6 | Confident | 85.4 | Confident | 126 Ų | 126 | 56.6 Ų | 56.6 | 49% | 0.494 | 28% | 0.282 | S | S | . | . | trans | -90.7 | -15.1 | -177.9 | -54.3 | -63.5 | 0 | 0 | 0 | 114.9 | H100 E102 G106 | H100-Y104 HydrophobicContact CB-CE2 3.7Å; H100-Y104 AromaticContact CG-CE2 3.84Å; E102-Y104 HydrophobicContact CB-CE1 3.84Å; E102-Y104 HydrophobicContact CB-CE2 4.14Å; E102-Y104 WeakPolarHBondContact CB-OH 3.48Å; E102-Y104 VanDerWaalsContact OE2-CE1 3.25Å; E102-Y104 WeakPolarHBondContact OE2-CE1 3.29Å; E102-Y104 VanDerWaalsContact OE2-CZ 3.3Å; E102-Y104 PolarHBondContact OE2-OH 3.38Å; Y104-G106 PolarHBondContact O-N 3.43Å | ||
| 105 | F | 87.6 | Confident | 85.9 | Confident | 80 Ų | 80 | 56.9 Ų | 56.9 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -90.7 | 6.3 | -163.7 | -54.1 | -80.9 | 0 | 0 | 0 | 114.7 | I93 A96 W103 Y109 | I93-F105 HydrophobicContact CD1-CD1 4.17Å; I93-F105 HydrophobicContact CD1-CE1 3.58Å; I93-F105 HydrophobicContact CD1-CE2 4.09Å; I93-F105 HydrophobicContact CD1-CZ 3.54Å; I93-F105 HydrophobicContact CG2-CD2 3.66Å; I93-F105 HydrophobicContact CG2-CE2 3.57Å; I93-F105 HydrophobicContact CG2-CG 4.34Å; I93-F105 HydrophobicContact CG2-CZ 4.16Å; A96-F105 HydrophobicContact CB-CZ 4.49Å; W103-F105 HydrophobicContact CD2-CD2 4.49Å; W103-F105 HydrophobicContact CH2-CD2 4.33Å; W103-F105 HydrophobicContact CZ2-CB 3.84Å; W103-F105 HydrophobicContact CZ2-CD2 4.26Å; W103-F105 HydrophobicContact CZ3-CD2 4.48Å; F105-Y109 HydrophobicContact CB-CD1 3.77Å; F105-Y109 HydrophobicContact CB-CG 3.84Å; F105-Y109 HydrophobicContact CG-CD1 4.2Å; F105-Y109 WeakPolarHBondContact O-CB 3.42Å |
| 106 | G | 90.6 | Very high | 86.6 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | 70.2 | 179 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | W103 Y104 C110 | W103-G106 PolarHBondContact NE1-O 3.31Å; Y104-G106 PolarHBondContact O-N 3.43Å; G106-C110 PolarHBondContact O-N 2.65Å; G106-C110 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 90.6 | Very high | 87 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | -173.2 | 177.9 | 62.3 | 0 | 0 | 0 | 113.3 | Y109 C110 R111 T176 | L107-Y109 VanDerWaalsContact C-N 3.32Å; L107-Y109 PolarHBondContact O-N 3.41Å; L107-C110 WeakPolarHBondContact O-CB 3.43Å; L107-C110 PolarHBondContact O-N 3.35Å; L107-C110 VanDerWaalsContact O-N 3.15Å; L107-R111 HydrophobicContact CD1-CG 4.4Å; L107-R111 WeakPolarHBondContact O-CG 3.43Å; L107-R111 PolarHBondContact O-N 2.98Å; L107-T176 HydrophobicContact CB-CG2 4.46Å; L107-T176 HydrophobicContact CD1-CG2 4.23Å |
| 108 | I | 92.7 | Very high | 87.5 | Confident | 143 Ų | 143 | 53.9 Ų | 53.9 | 73% | 0.733 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | -176.7 | -61.3 | 171.3 | 0 | 0 | 0 | 110.2 | R111 F112 | I108-R111 PolarHBondContact O-N 3.2Å; I108-F112 PolarHBondContact O-N 3.29Å |
| 109 | Y | 91.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 52 Ų | 52 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.3 | -32.2 | 178.2 | -155.1 | -89.1 | 0 | 0 | 0 | 112 | F89 I93 W103 F105 L107 R111 F112 H113 | F89-Y109 PolarHBondContact O-OH 3.37Å; I93-Y109 HydrophobicContact CB-CE1 4.07Å; I93-Y109 HydrophobicContact CD1-CE1 4.37Å; I93-Y109 HydrophobicContact CG1-CE1 3.68Å; I93-Y109 WeakPolarHBondContact CG1-OH 3.37Å; I93-Y109 HydrophobicContact CG2-CD1 4.29Å; I93-Y109 HydrophobicContact CG2-CE1 3.77Å; W103-Y109 HydrophobicContact CH2-CD1 4.02Å; W103-Y109 AromaticContact CZ2-CD1 3.86Å; W103-Y109 HydrophobicContact CZ2-CD1 3.86Å; F105-Y109 HydrophobicContact CB-CD1 3.77Å; F105-Y109 HydrophobicContact CB-CG 3.84Å; F105-Y109 HydrophobicContact CG-CD1 4.2Å; F105-Y109 WeakPolarHBondContact O-CB 3.42Å; L107-Y109 VanDerWaalsContact C-N 3.32Å; L107-Y109 PolarHBondContact O-N 3.41Å; Y109-R111 VanDerWaalsContact C-N 3.32Å; Y109-R111 PolarHBondContact O-N 3Å; Y109-F112 HydrophobicContact CD2-CD1 4.43Å; Y109-F112 HydrophobicContact CE2-CD1 4.06Å; Y109-F112 PolarHBondContact O-N 3.47Å; Y109-H113 HydrophobicContact CD1-CB 4.26Å; Y109-H113 HydrophobicContact CE1-CB 4.33Å; Y109-H113 WeakPolarHBondContact O-CB 3.25Å; Y109-H113 PolarHBondContact O-N 2.92Å |
| 110 | C | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 174.1 | 171 | 0 | 0 | 0 | 0 | 110.8 | W103 G106 L107 H113 N114 T175 T176 C185 | W103-C110 HydrophobicContact CZ2-CB 3.82Å; G106-C110 PolarHBondContact O-N 2.65Å; G106-C110 VanDerWaalsContact O-N 3.12Å; L107-C110 WeakPolarHBondContact O-CB 3.43Å; L107-C110 PolarHBondContact O-N 3.35Å; L107-C110 VanDerWaalsContact O-N 3.15Å; C110-H113 PolarHBondContact O-N 2.91Å; C110-N114 PolarHBondContact O-N 3.37Å; C110-N114 PolarHBondContact O-ND2 3.48Å; C110-T175 PolarHBondContact SG-O 3.44Å; C110-T175 VanDerWaalsContact SG-O 3.4Å; C110-T176 HydrophobicContact CB-CG2 3.78Å; C110-C185 VanDerWaalsContact CA-SG 3.52Å; C110-C185 HydrophobicContact CB-CB 3.85Å; C110-C185 WeakPolarHBondContact CB-SG 3.47Å; C110-C185 WeakPolarHBondContact SG-CB 3.39Å; C110-C185 CovalentContact SG-SG 2.03Å; C110-C185 PolarHBondContact SG-SG 2.98Å |
| 111 | R | 93.4 | Very high | 90.2 | Very high | 76 Ų | 76 | 45 Ų | 45 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 175.5 | -64.5 | -174.4 | 170.3 | 174.6 | -3.2 | 112.5 | L107 I108 Y109 H113 F115 Y171 S174 | L107-R111 HydrophobicContact CD1-CG 4.4Å; L107-R111 WeakPolarHBondContact O-CG 3.43Å; L107-R111 PolarHBondContact O-N 2.98Å; I108-R111 PolarHBondContact O-N 3.2Å; Y109-R111 VanDerWaalsContact C-N 3.32Å; Y109-R111 PolarHBondContact O-N 3Å; R111-H113 VanDerWaalsContact C-N 3.32Å; R111-H113 PolarHBondContact O-N 3.41Å; R111-F115 WeakPolarHBondContact O-CB 3.2Å; R111-F115 PolarHBondContact O-N 3.4Å; R111-F115 VanDerWaalsContact O-N 3.07Å; R111-Y171 HydrophobicContact CB-CD2 3.49Å; R111-Y171 VanDerWaalsContact CB-CD2 3.49Å; R111-Y171 HydrophobicContact CB-CE2 3.48Å; R111-Y171 VanDerWaalsContact CB-CE2 3.48Å; R111-Y171 HydrophobicContact CB-CG 4.27Å; R111-Y171 WeakPolarHBondContact CD-O 3.25Å; R111-Y171 HydrophobicContact CG-CD2 4.5Å; R111-Y171 HydrophobicContact CG-CE2 4.39Å; R111-Y171 WeakPolarHBondContact CG-O 3.34Å; R111-S174 WeakPolarHBondContact CG-O 3.33Å; R111-S174 PolarHBondContact NE-O 3.34Å |
| 112 | F | 92.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 29% | 0.285 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.8 | 179.4 | -103.1 | 0 | 0 | 0 | 112.4 | F89 I108 Y109 N114 F115 F116 | F89-F112 HydrophobicContact CB-CE1 3.99Å; F89-F112 HydrophobicContact CG-CE1 4.3Å; I108-F112 PolarHBondContact O-N 3.29Å; Y109-F112 HydrophobicContact CD2-CD1 4.43Å; Y109-F112 HydrophobicContact CE2-CD1 4.06Å; Y109-F112 PolarHBondContact O-N 3.47Å; F112-N114 PolarHBondContact O-N 3.4Å; F112-F115 PolarHBondContact O-N 2.87Å; F112-F116 HydrophobicContact CD2-CB 4.35Å; F112-F116 HydrophobicContact CE1-CB 4.21Å; F112-F116 HydrophobicContact CE1-CG 4.36Å; F112-F116 HydrophobicContact CE2-CB 3.95Å; F112-F116 AromaticContact CE2-CD2 3.74Å; F112-F116 HydrophobicContact CE2-CD2 3.74Å; F112-F116 HydrophobicContact CE2-CG 4.03Å; F112-F116 HydrophobicContact CZ-CB 3.87Å; F112-F116 HydrophobicContact CZ-CD1 4.44Å; F112-F116 AromaticContact CZ-CD2 3.72Å; F112-F116 HydrophobicContact CZ-CD2 3.72Å; F112-F116 HydrophobicContact CZ-CE2 4.44Å; F112-F116 AromaticContact CZ-CG 3.73Å; F112-F116 HydrophobicContact CZ-CG 3.73Å; F112-F116 VanDerWaalsContact O-CB 3.31Å; F112-F116 WeakPolarHBondContact O-CB 3.37Å; F112-F116 PolarHBondContact O-N 2.9Å |
| 113 | H | 90.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | -177.4 | -179.3 | 85.2 | 0 | 0 | 0 | 112.7 | N90 W103 Y109 C110 R111 P117 | N90-H113 PolarHBondContact ND2-CE1 3.24Å; N90-H113 PolarHBondContact ND2-ND1 2.95Å; N90-H113 PolarHBondContact ND2-NE2 2.88Å; N90-H113 PolarHBondContact ND2-O 3.45Å; N90-H113 VanDerWaalsContact ND2-O 3.13Å; W103-H113 HydrophobicContact CH2-CB 3.7Å; W103-H113 AromaticContact CH2-CG 3.67Å; W103-H113 HydrophobicContact CZ2-CB 4.36Å; Y109-H113 HydrophobicContact CD1-CB 4.26Å; Y109-H113 HydrophobicContact CE1-CB 4.33Å; Y109-H113 WeakPolarHBondContact O-CB 3.25Å; Y109-H113 PolarHBondContact O-N 2.92Å; C110-H113 PolarHBondContact O-N 2.91Å; R111-H113 VanDerWaalsContact C-N 3.32Å; R111-H113 PolarHBondContact O-N 3.41Å; H113-P117 WeakPolarHBondContact O-CD 3.43Å; H113-P117 WeakPolarHBondContact O-CG 3.45Å |
| 114 | N | 90.9 | Very high | 91.9 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -80.7 | -30 | 175.2 | -69.6 | -48.1 | 0 | 0 | 0 | 112.7 | C110 F112 S174 C185 | C110-N114 PolarHBondContact O-N 3.37Å; C110-N114 PolarHBondContact O-ND2 3.48Å; F112-N114 PolarHBondContact O-N 3.4Å; N114-S174 WeakPolarHBondContact CB-OG 3.36Å; N114-S174 PolarHBondContact ND2-OG 3Å; N114-C185 PolarHBondContact ND2-SG 3.28Å |
| 115 | F | 93.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.8 | -54 | 179.9 | 173.4 | -102.7 | 0 | 0 | 0 | 113.5 | R111 F112 I118 A119 L164 A167 Y171 | R111-F115 WeakPolarHBondContact O-CB 3.2Å; R111-F115 PolarHBondContact O-N 3.4Å; R111-F115 VanDerWaalsContact O-N 3.07Å; F112-F115 PolarHBondContact O-N 2.87Å; F115-I118 PolarHBondContact O-N 2.94Å; F115-A119 PolarHBondContact O-N 2.9Å; F115-L164 HydrophobicContact CE1-CD2 3.63Å; F115-L164 HydrophobicContact CE2-CD2 4.49Å; F115-L164 HydrophobicContact CZ-CB 4.14Å; F115-L164 HydrophobicContact CZ-CD2 3.34Å; F115-L164 HydrophobicContact CZ-CG 4.31Å; F115-A167 HydrophobicContact CD2-CB 3.41Å; F115-A167 VanDerWaalsContact CD2-CB 3.41Å; F115-A167 WeakPolarHBondContact CD2-O 3.2Å; F115-A167 HydrophobicContact CE2-CB 3.45Å; F115-A167 VanDerWaalsContact CE2-CB 3.45Å; F115-A167 HydrophobicContact CG-CB 4.19Å; F115-A167 HydrophobicContact CZ-CB 4.25Å; F115-A167 WeakPolarHBondContact O-CB 3.46Å; F115-Y171 HydrophobicContact CB-CD2 4.28Å; F115-Y171 HydrophobicContact CD2-CG 4.47Å; F115-Y171 HydrophobicContact CG-CD2 4.46Å |
| 116 | F | 92.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | -165.9 | -169.6 | -97.7 | 0 | 0 | 0 | 114.3 | M86 F112 I118 A119 A120 | M86-F116 HydrophobicContact CB-CE1 4.44Å; F112-F116 HydrophobicContact CD2-CB 4.35Å; F112-F116 HydrophobicContact CE1-CB 4.21Å; F112-F116 HydrophobicContact CE1-CG 4.36Å; F112-F116 HydrophobicContact CE2-CB 3.95Å; F112-F116 AromaticContact CE2-CD2 3.74Å; F112-F116 HydrophobicContact CE2-CD2 3.74Å; F112-F116 HydrophobicContact CE2-CG 4.03Å; F112-F116 HydrophobicContact CZ-CB 3.87Å; F112-F116 HydrophobicContact CZ-CD1 4.44Å; F112-F116 AromaticContact CZ-CD2 3.72Å; F112-F116 HydrophobicContact CZ-CD2 3.72Å; F112-F116 HydrophobicContact CZ-CE2 4.44Å; F112-F116 AromaticContact CZ-CG 3.73Å; F112-F116 HydrophobicContact CZ-CG 3.73Å; F112-F116 VanDerWaalsContact O-CB 3.31Å; F112-F116 WeakPolarHBondContact O-CB 3.37Å; F112-F116 PolarHBondContact O-N 2.9Å; F116-I118 VanDerWaalsContact C-N 3.31Å; F116-I118 PolarHBondContact O-N 2.91Å; F116-A119 PolarHBondContact O-N 3.28Å; F116-A120 HydrophobicContact CD1-CB 4.46Å; F116-A120 HydrophobicContact CE1-CB 4.09Å; F116-A120 WeakPolarHBondContact O-CB 3.41Å; F116-A120 PolarHBondContact O-N 3.23Å |
| 117 | P | 90.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 14% | 0.143 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 177.8 | -28.7 | 38.3 | 0 | 0 | 0 | 113 | M86 N90 H113 A119 A120 V121 | M86-P117 HydrophobicContact CE-CB 3.61Å; N90-P117 HydrophobicContact CB-CG 3.99Å; N90-P117 VanDerWaalsContact CG-CG 3.45Å; N90-P117 WeakPolarHBondContact ND2-CG 3.22Å; H113-P117 WeakPolarHBondContact O-CD 3.43Å; H113-P117 WeakPolarHBondContact O-CG 3.45Å; P117-A119 PolarHBondContact O-N 3.23Å; P117-A120 PolarHBondContact O-N 2.91Å; P117-V121 WeakPolarHBondContact O-CG2 3.39Å; P117-V121 PolarHBondContact O-N 3.38Å |
| 118 | I | 91.9 | Very high | 92.7 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 14% | 0.138 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | -178.3 | -60.4 | 175.1 | 0 | 0 | 0 | 109.7 | F115 F116 F122 A167 Q170 I209 | F115-I118 PolarHBondContact O-N 2.94Å; F116-I118 VanDerWaalsContact C-N 3.31Å; F116-I118 PolarHBondContact O-N 2.91Å; I118-F122 WeakPolarHBondContact O-CB 3.27Å; I118-F122 PolarHBondContact O-N 3.5Å; I118-A167 HydrophobicContact CB-CB 4Å; I118-A167 HydrophobicContact CG2-CB 4.04Å; I118-Q170 HydrophobicContact CD1-CB 3.89Å; I118-Q170 HydrophobicContact CD1-CG 3.49Å; I118-Q170 VanDerWaalsContact CD1-CG 3.49Å; I118-I209 HydrophobicContact CG2-CD1 3.79Å |
| 119 | A | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F115 F116 P117 A123 A163 L164 A167 | F115-A119 PolarHBondContact O-N 2.9Å; F116-A119 PolarHBondContact O-N 3.28Å; P117-A119 PolarHBondContact O-N 3.23Å; A119-A123 WeakPolarHBondContact O-CB 3.16Å; A119-A123 PolarHBondContact O-N 3Å; A119-A163 HydrophobicContact CB-CB 4.17Å; A119-L164 HydrophobicContact CB-CD2 4.19Å; A119-A167 HydrophobicContact CB-CB 4.06Å |
| 120 | A | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M86 F116 P117 A123 S124 | M86-A120 HydrophobicContact CB-CB 3.94Å; M86-A120 HydrophobicContact CG-CB 4.25Å; M86-A120 HydrophobicContact SD-CB 4.28Å; F116-A120 HydrophobicContact CD1-CB 4.46Å; F116-A120 HydrophobicContact CE1-CB 4.09Å; F116-A120 WeakPolarHBondContact O-CB 3.41Å; F116-A120 PolarHBondContact O-N 3.23Å; P117-A120 PolarHBondContact O-N 2.91Å; A120-A123 PolarHBondContact O-N 3.17Å; A120-S124 WeakPolarHBondContact O-CB 3.14Å; A120-S124 PolarHBondContact O-N 3.12Å; A120-S124 PolarHBondContact O-OG 3.46Å; A120-S124 VanDerWaalsContact O-OG 3.06Å |
| 121 | V | 92.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 20 Ų | 20 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | M86 P117 A123 S124 I125 I209 F262 W266 | M86-V121 HydrophobicContact CE-CG2 3.31Å; M86-V121 HydrophobicContact SD-CG2 4.05Å; P117-V121 WeakPolarHBondContact O-CG2 3.39Å; P117-V121 PolarHBondContact O-N 3.38Å; V121-A123 PolarHBondContact O-N 3.19Å; V121-S124 PolarHBondContact O-N 3.4Å; V121-I125 WeakPolarHBondContact O-CG2 3.46Å; V121-I125 PolarHBondContact O-N 3.03Å; V121-I209 HydrophobicContact CB-CG2 4.2Å; V121-I209 HydrophobicContact CG1-CG2 3.41Å; V121-I209 VanDerWaalsContact CG1-CG2 3.41Å; V121-F262 HydrophobicContact CG1-CE2 4.46Å; V121-F262 HydrophobicContact CG1-CZ 4.38Å; V121-W266 HydrophobicContact CB-CH2 4.24Å; V121-W266 HydrophobicContact CB-CZ2 4.37Å; V121-W266 HydrophobicContact CG1-CD2 4.45Å; V121-W266 HydrophobicContact CG1-CE3 4.46Å; V121-W266 HydrophobicContact CG1-CH2 3.9Å; V121-W266 HydrophobicContact CG1-CZ2 3.83Å; V121-W266 HydrophobicContact CG1-CZ3 4.2Å; V121-W266 HydrophobicContact CG2-CH2 3.27Å; V121-W266 HydrophobicContact CG2-CZ2 3.5Å; V121-W266 VanDerWaalsContact CG2-CZ2 3.5Å; V121-W266 HydrophobicContact CG2-CZ3 4.14Å |
| 122 | F | 94.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 174 | -172.9 | -76 | 0 | 0 | 0 | 110.9 | I118 S124 I125 Y126 I159 L162 A163 L166 L208 I209 | I118-F122 WeakPolarHBondContact O-CB 3.27Å; I118-F122 PolarHBondContact O-N 3.5Å; F122-S124 VanDerWaalsContact C-N 3.3Å; F122-S124 PolarHBondContact O-N 3.48Å; F122-I125 WeakPolarHBondContact O-CG2 3.27Å; F122-I125 PolarHBondContact O-N 2.7Å; F122-Y126 AromaticContact CD1-CD2 3.68Å; F122-Y126 HydrophobicContact CD1-CD2 3.68Å; F122-Y126 HydrophobicContact CD1-CE2 4.1Å; F122-Y126 HydrophobicContact CD1-CG 4.33Å; F122-Y126 AromaticContact CD2-CD2 3.99Å; F122-Y126 HydrophobicContact CD2-CD2 3.99Å; F122-Y126 AromaticContact CD2-CE2 3.63Å; F122-Y126 HydrophobicContact CD2-CE2 3.63Å; F122-Y126 AromaticContact CE1-CD2 3.53Å; F122-Y126 HydrophobicContact CE1-CD2 3.53Å; F122-Y126 AromaticContact CE1-CE2 3.74Å; F122-Y126 HydrophobicContact CE1-CE2 3.74Å; F122-Y126 AromaticContact CE1-CG 3.94Å; F122-Y126 HydrophobicContact CE1-CG 3.94Å; F122-Y126 AromaticContact CE2-CD2 3.85Å; F122-Y126 HydrophobicContact CE2-CD2 3.85Å; F122-Y126 AromaticContact CE2-CE2 3.21Å; F122-Y126 HydrophobicContact CE2-CE2 3.21Å; F122-Y126 AromaticContact CE2-CZ 3.75Å; F122-Y126 AromaticContact CG-CD2 3.92Å; F122-Y126 HydrophobicContact CG-CD2 3.92Å; F122-Y126 HydrophobicContact CG-CE2 4.07Å; F122-Y126 HydrophobicContact CZ-CD1 4.49Å; F122-Y126 AromaticContact CZ-CD2 3.62Å; F122-Y126 HydrophobicContact CZ-CD2 3.62Å; F122-Y126 HydrophobicContact CZ-CE1 4.21Å; F122-Y126 AromaticContact CZ-CE2 3.28Å; F122-Y126 HydrophobicContact CZ-CE2 3.28Å; F122-Y126 HydrophobicContact CZ-CG 4.21Å; F122-Y126 AromaticContact CZ-CZ 3.59Å; F122-Y126 WeakPolarHBondContact O-CB 3.44Å; F122-Y126 VanDerWaalsContact O-CD2 3.32Å; F122-Y126 WeakPolarHBondContact O-CD2 3.45Å; F122-Y126 PolarHBondContact O-N 3.41Å; F122-I159 HydrophobicContact CD1-CG2 4.37Å; F122-I159 HydrophobicContact CE1-CG2 4.45Å; F122-L162 HydrophobicContact CE1-CB 3.82Å; F122-L162 HydrophobicContact CZ-CB 3.83Å; F122-A163 HydrophobicContact CB-CB 3.95Å; F122-A163 HydrophobicContact CD1-CB 3.49Å; F122-A163 VanDerWaalsContact CD1-CB 3.49Å; F122-A163 HydrophobicContact CE1-CB 4.26Å; F122-A163 HydrophobicContact CG-CB 3.93Å; F122-L166 HydrophobicContact CD2-CD2 3.52Å; F122-L166 HydrophobicContact CE2-CD2 3.88Å; F122-L208 HydrophobicContact CE2-CB 4.48Å; F122-I209 HydrophobicContact CB-CD1 4.28Å; F122-I209 HydrophobicContact CB-CG1 4.4Å; F122-I209 HydrophobicContact CD2-CD1 4.5Å; F122-I209 HydrophobicContact CD2-CG1 3.98Å |
| 123 | A | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A82 A119 A120 V121 S127 I159 W160 | A82-A123 HydrophobicContact CB-CB 4.36Å; A119-A123 WeakPolarHBondContact O-CB 3.16Å; A119-A123 PolarHBondContact O-N 3Å; A120-A123 PolarHBondContact O-N 3.17Å; V121-A123 PolarHBondContact O-N 3.19Å; A123-S127 VanDerWaalsContact O-CB 3.3Å; A123-S127 WeakPolarHBondContact O-CB 3.1Å; A123-S127 PolarHBondContact O-N 3.45Å; A123-S127 VanDerWaalsContact O-N 3.07Å; A123-S127 PolarHBondContact O-OG 3.46Å; A123-I159 HydrophobicContact CB-CG2 4.16Å; A123-W160 HydrophobicContact CB-CD2 4.4Å; A123-W160 HydrophobicContact CB-CH2 4.41Å; A123-W160 HydrophobicContact CB-CZ2 4.09Å |
| 124 | S | 93.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 16.3 Ų | 16.3 | 6% | 0.063 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.4 | -52.9 | 177.5 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | L79 A120 V121 F122 S127 M128 | L79-S124 WeakPolarHBondContact CD1-OG 3.2Å; A120-S124 WeakPolarHBondContact O-CB 3.14Å; A120-S124 PolarHBondContact O-N 3.12Å; A120-S124 PolarHBondContact O-OG 3.46Å; A120-S124 VanDerWaalsContact O-OG 3.06Å; V121-S124 PolarHBondContact O-N 3.4Å; F122-S124 VanDerWaalsContact C-N 3.3Å; F122-S124 PolarHBondContact O-N 3.48Å; S124-S127 WeakPolarHBondContact O-CB 3.42Å; S124-S127 PolarHBondContact O-N 3.01Å; S124-M128 PolarHBondContact O-N 3Å |
| 125 | I | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | -174.9 | -167.6 | 55.1 | 0 | 0 | 0 | 112.1 | V121 F122 S127 M128 T129 I209 P213 M217 F262 | V121-I125 WeakPolarHBondContact O-CG2 3.46Å; V121-I125 PolarHBondContact O-N 3.03Å; F122-I125 WeakPolarHBondContact O-CG2 3.27Å; F122-I125 PolarHBondContact O-N 2.7Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.2Å; I125-M128 HydrophobicContact CD1-CB 4.5Å; I125-M128 HydrophobicContact CD1-CE 4.38Å; I125-M128 HydrophobicContact CD1-SD 4.4Å; I125-M128 WeakPolarHBondContact O-CA 3.34Å; I125-M128 WeakPolarHBondContact O-CB 3.28Å; I125-M128 PolarHBondContact O-N 3.45Å; I125-M128 VanDerWaalsContact O-N 3.12Å; I125-T129 PolarHBondContact O-N 3.06Å; I125-T129 PolarHBondContact O-OG1 3.25Å; I125-I209 HydrophobicContact CG2-CG2 4.44Å; I125-P213 HydrophobicContact CD1-CB 4.47Å; I125-P213 HydrophobicContact CG1-CB 3.65Å; I125-P213 HydrophobicContact CG1-CG 3.62Å; I125-P213 HydrophobicContact CG2-CG 4.22Å; I125-M217 HydrophobicContact CD1-CE 3.44Å; I125-M217 VanDerWaalsContact CD1-CE 3.44Å; I125-M217 HydrophobicContact CD1-SD 4.46Å; I125-M217 HydrophobicContact CG1-CE 4.36Å; I125-F262 HydrophobicContact CB-CE1 4.37Å; I125-F262 HydrophobicContact CB-CE2 4.23Å; I125-F262 HydrophobicContact CB-CZ 3.84Å; I125-F262 HydrophobicContact CD1-CD1 3.47Å; I125-F262 VanDerWaalsContact CD1-CD1 3.47Å; I125-F262 HydrophobicContact CD1-CD2 4.1Å; I125-F262 HydrophobicContact CD1-CE1 3.28Å; I125-F262 HydrophobicContact CD1-CE2 3.93Å; I125-F262 HydrophobicContact CD1-CG 3.88Å; I125-F262 HydrophobicContact CD1-CZ 3.54Å; I125-F262 HydrophobicContact CG1-CD1 4.39Å; I125-F262 HydrophobicContact CG1-CE1 3.72Å; I125-F262 HydrophobicContact CG1-CE2 4.37Å; I125-F262 HydrophobicContact CG1-CZ 3.71Å |
| 126 | Y | 94.9 | Very high | 91.6 | Very high | 50 Ų | 50 | 18.5 Ų | 18.5 | 20% | 0.196 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.2 | -28.1 | 176.3 | -82.1 | -95.7 | 0 | 0 | 0 | 112.4 | F122 T129 A130 L208 | F122-Y126 AromaticContact CD1-CD2 3.68Å; F122-Y126 HydrophobicContact CD1-CD2 3.68Å; F122-Y126 HydrophobicContact CD1-CE2 4.1Å; F122-Y126 HydrophobicContact CD1-CG 4.33Å; F122-Y126 AromaticContact CD2-CD2 3.99Å; F122-Y126 HydrophobicContact CD2-CD2 3.99Å; F122-Y126 AromaticContact CD2-CE2 3.63Å; F122-Y126 HydrophobicContact CD2-CE2 3.63Å; F122-Y126 AromaticContact CE1-CD2 3.53Å; F122-Y126 HydrophobicContact CE1-CD2 3.53Å; F122-Y126 AromaticContact CE1-CE2 3.74Å; F122-Y126 HydrophobicContact CE1-CE2 3.74Å; F122-Y126 AromaticContact CE1-CG 3.94Å; F122-Y126 HydrophobicContact CE1-CG 3.94Å; F122-Y126 AromaticContact CE2-CD2 3.85Å; F122-Y126 HydrophobicContact CE2-CD2 3.85Å; F122-Y126 AromaticContact CE2-CE2 3.21Å; F122-Y126 HydrophobicContact CE2-CE2 3.21Å; F122-Y126 AromaticContact CE2-CZ 3.75Å; F122-Y126 AromaticContact CG-CD2 3.92Å; F122-Y126 HydrophobicContact CG-CD2 3.92Å; F122-Y126 HydrophobicContact CG-CE2 4.07Å; F122-Y126 HydrophobicContact CZ-CD1 4.49Å; F122-Y126 AromaticContact CZ-CD2 3.62Å; F122-Y126 HydrophobicContact CZ-CD2 3.62Å; F122-Y126 HydrophobicContact CZ-CE1 4.21Å; F122-Y126 AromaticContact CZ-CE2 3.28Å; F122-Y126 HydrophobicContact CZ-CE2 3.28Å; F122-Y126 HydrophobicContact CZ-CG 4.21Å; F122-Y126 AromaticContact CZ-CZ 3.59Å; F122-Y126 WeakPolarHBondContact O-CB 3.44Å; F122-Y126 VanDerWaalsContact O-CD2 3.32Å; F122-Y126 WeakPolarHBondContact O-CD2 3.45Å; F122-Y126 PolarHBondContact O-N 3.41Å; Y126-T129 PolarHBondContact O-N 2.85Å; Y126-A130 WeakPolarHBondContact O-CB 3.1Å; Y126-A130 PolarHBondContact O-N 2.94Å; Y126-L208 VanDerWaalsContact CE2-O 3.3Å; Y126-L208 WeakPolarHBondContact CE2-O 3.4Å; Y126-L208 PolarHBondContact OH-O 3.31Å |
| 127 | S | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 168.5 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | N78 A123 S124 I125 A130 I131 | N78-S127 PolarHBondContact ND2-OG 3.02Å; A123-S127 VanDerWaalsContact O-CB 3.3Å; A123-S127 WeakPolarHBondContact O-CB 3.1Å; A123-S127 PolarHBondContact O-N 3.45Å; A123-S127 VanDerWaalsContact O-N 3.07Å; A123-S127 PolarHBondContact O-OG 3.46Å; S124-S127 WeakPolarHBondContact O-CB 3.42Å; S124-S127 PolarHBondContact O-N 3.01Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.2Å; S127-A130 PolarHBondContact O-N 3.15Å; S127-I131 WeakPolarHBondContact O-CD1 3.42Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 3.03Å |
| 128 | M | 90.7 | Very high | 91 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 4% | 0.044 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 173.6 | -70.3 | 177.9 | 47 | 0 | 0 | 112.2 | L79 S124 I125 I131 A132 M217 V258 V259 F262 | L79-M128 HydrophobicContact CD2-CG 4.22Å; S124-M128 PolarHBondContact O-N 3Å; I125-M128 HydrophobicContact CD1-CB 4.5Å; I125-M128 HydrophobicContact CD1-CE 4.38Å; I125-M128 HydrophobicContact CD1-SD 4.4Å; I125-M128 WeakPolarHBondContact O-CA 3.34Å; I125-M128 WeakPolarHBondContact O-CB 3.28Å; I125-M128 PolarHBondContact O-N 3.45Å; I125-M128 VanDerWaalsContact O-N 3.12Å; M128-I131 PolarHBondContact O-N 2.91Å; M128-A132 PolarHBondContact O-N 3.22Å; M128-M217 HydrophobicContact CB-SD 3.98Å; M128-M217 HydrophobicContact CE-SD 4.44Å; M128-V258 HydrophobicContact CE-CB 4.34Å; M128-V258 HydrophobicContact CE-CG1 3.42Å; M128-V258 VanDerWaalsContact CE-CG1 3.42Å; M128-V258 HydrophobicContact SD-CG1 3.92Å; M128-V259 HydrophobicContact CE-CG2 4Å; M128-F262 HydrophobicContact CE-CB 4.06Å; M128-F262 HydrophobicContact CE-CG 4.5Å; M128-F262 HydrophobicContact SD-CD2 4.48Å |
| 129 | T | 93.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 21 Ų | 21 | 6% | 0.061 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 174.4 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | I125 Y126 I131 A132 L133 P213 V216 M217 | I125-T129 PolarHBondContact O-N 3.06Å; I125-T129 PolarHBondContact O-OG1 3.25Å; Y126-T129 PolarHBondContact O-N 2.85Å; T129-I131 VanDerWaalsContact C-N 3.31Å; T129-I131 PolarHBondContact O-N 2.92Å; T129-A132 VanDerWaalsContact O-CB 3.29Å; T129-A132 WeakPolarHBondContact O-CB 3.49Å; T129-A132 PolarHBondContact O-N 2.9Å; T129-A132 VanDerWaalsContact O-N 3.12Å; T129-L133 HydrophobicContact CG2-CD1 4.37Å; T129-L133 WeakPolarHBondContact O-CG 3.32Å; T129-L133 PolarHBondContact O-N 2.98Å; T129-P213 WeakPolarHBondContact OG1-CB 3.35Å; T129-V216 HydrophobicContact CG2-CB 4.12Å; T129-V216 HydrophobicContact CG2-CG1 3.62Å; T129-M217 HydrophobicContact CG2-CG 4.21Å |
| 130 | A | 92.4 | Very high | 90 | Very high | 12 Ų | 12 | 23 Ų | 23 | 10% | 0.099 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F75 Y126 S127 A132 L133 D134 | F75-A130 HydrophobicContact CD1-CB 3.92Å; F75-A130 HydrophobicContact CD2-CB 4.32Å; F75-A130 HydrophobicContact CE1-CB 3.54Å; F75-A130 HydrophobicContact CE2-CB 3.96Å; F75-A130 HydrophobicContact CG-CB 4.3Å; F75-A130 HydrophobicContact CZ-CB 3.56Å; Y126-A130 WeakPolarHBondContact O-CB 3.1Å; Y126-A130 PolarHBondContact O-N 2.94Å; S127-A130 PolarHBondContact O-N 3.15Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-L133 PolarHBondContact O-N 3.32Å; A130-D134 WeakPolarHBondContact O-CB 3.28Å; A130-D134 PolarHBondContact O-N 3.36Å |
| 131 | I | 89.7 | Confident | 89.5 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 173.2 | -65.9 | 161.1 | 0 | 0 | 0 | 110.7 | T72 F75 L76 S127 M128 T129 R135 M255 | T72-I131 HydrophobicContact CG2-CB 4.36Å; T72-I131 HydrophobicContact CG2-CG1 4.1Å; T72-I131 HydrophobicContact CG2-CG2 3.59Å; F75-I131 HydrophobicContact CB-CD1 3.62Å; F75-I131 HydrophobicContact CB-CG1 3.4Å; F75-I131 VanDerWaalsContact CB-CG1 3.4Å; F75-I131 HydrophobicContact CD2-CG1 4.18Å; F75-I131 HydrophobicContact CG-CG1 4.05Å; L76-I131 HydrophobicContact CD2-CD1 3.74Å; L76-I131 HydrophobicContact CG-CD1 4.2Å; S127-I131 WeakPolarHBondContact O-CD1 3.42Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 3.03Å; M128-I131 PolarHBondContact O-N 2.91Å; T129-I131 VanDerWaalsContact C-N 3.31Å; T129-I131 PolarHBondContact O-N 2.92Å; I131-R135 WeakPolarHBondContact O-CG 3.37Å; I131-R135 PolarHBondContact O-N 3.43Å; I131-M255 HydrophobicContact CB-CE 4.33Å; I131-M255 HydrophobicContact CG2-CE 3.33Å; I131-M255 HydrophobicContact CG2-SD 4.5Å; I131-M255 VanDerWaalsContact O-CE 3.29Å; I131-M255 WeakPolarHBondContact O-CE 3.31Å |
| 132 | A | 89.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M128 T129 A130 R135 Y136 M217 Y221 | M128-A132 PolarHBondContact O-N 3.22Å; T129-A132 VanDerWaalsContact O-CB 3.29Å; T129-A132 WeakPolarHBondContact O-CB 3.49Å; T129-A132 PolarHBondContact O-N 2.9Å; T129-A132 VanDerWaalsContact O-N 3.12Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A132-R135 PolarHBondContact O-N 2.88Å; A132-Y136 PolarHBondContact O-N 2.69Å; A132-M217 HydrophobicContact CB-CG 3.92Å; A132-Y221 VanDerWaalsContact CA-OH 3.28Å; A132-Y221 WeakPolarHBondContact CA-OH 3.5Å; A132-Y221 HydrophobicContact CB-CE1 4.12Å; A132-Y221 HydrophobicContact CB-CE2 3.78Å; A132-Y221 VanDerWaalsContact CB-CZ 3.43Å; A132-Y221 WeakPolarHBondContact CB-OH 3.39Å |
| 133 | L | 90.1 | Very high | 87.9 | Confident | 77 Ų | 77 | 38.6 Ų | 38.6 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.8 | -40.9 | 179.9 | -66.8 | 175.4 | 0 | 0 | 0 | 112.4 | T129 A130 R135 Y136 M137 V216 | T129-L133 HydrophobicContact CG2-CD1 4.37Å; T129-L133 WeakPolarHBondContact O-CG 3.32Å; T129-L133 PolarHBondContact O-N 2.98Å; A130-L133 PolarHBondContact O-N 3.32Å; L133-R135 PolarHBondContact O-N 2.72Å; L133-Y136 WeakPolarHBondContact O-CB 3.12Å; L133-Y136 PolarHBondContact O-N 2.89Å; L133-M137 VanDerWaalsContact O-CG 3.29Å; L133-M137 WeakPolarHBondContact O-CG 3.4Å; L133-M137 PolarHBondContact O-N 2.93Å; L133-V216 HydrophobicContact CD2-CG1 4.2Å |
| 134 | D | 87.6 | Confident | 87.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.2 | -37 | 172.8 | 171.3 | 61.5 | 0 | 0 | 0 | 111.5 | T72 A130 A138 R146 M147 | T72-D134 PolarHBondContact OG1-OD2 3.05Å; A130-D134 WeakPolarHBondContact O-CB 3.28Å; A130-D134 PolarHBondContact O-N 3.36Å; D134-A138 VanDerWaalsContact O-CB 3.3Å; D134-A138 WeakPolarHBondContact O-CB 3.35Å; D134-A138 PolarHBondContact O-N 3.03Å; D134-R146 VanDerWaalsContact CG-NH2 3.27Å; D134-R146 IonicContact OD1-CZ 2.72Å; D134-R146 IonicContact OD1-NE 3.54Å; D134-R146 PolarHBondContact OD1-NE 2.76Å; D134-R146 IonicContact OD1-NH2 2.89Å; D134-R146 PolarHBondContact OD1-NH2 3.45Å; D134-R146 IonicContact OD2-NH2 2.98Å; D134-R146 PolarHBondContact OD2-NH2 3.49Å; D134-M147 HydrophobicContact CB-CE 3.92Å |
| 135 | R | 84.4 | Confident | 86 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 19% | 0.185 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -79.1 | -38.8 | -179.2 | -72.2 | -82.8 | 174.5 | -94.8 | -10.8 | 112.7 | T72 I131 A132 L133 A138 I139 R146 M255 | T72-R135 PolarHBondContact OG1-NH2 3.49Å; I131-R135 WeakPolarHBondContact O-CG 3.37Å; I131-R135 PolarHBondContact O-N 3.43Å; A132-R135 PolarHBondContact O-N 2.88Å; L133-R135 PolarHBondContact O-N 2.72Å; R135-A138 PolarHBondContact O-N 3.06Å; R135-I139 WeakPolarHBondContact O-CB 3.32Å; R135-I139 WeakPolarHBondContact O-CD1 3.37Å; R135-I139 VanDerWaalsContact O-CG1 3.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.32Å; R135-I139 PolarHBondContact O-N 3Å; R135-I139 VanDerWaalsContact O-N 3.12Å; R135-R146 VanDerWaalsContact NH1-NH2 3.16Å; R135-M255 HydrophobicContact CB-CE 3.85Å; R135-M255 HydrophobicContact CB-SD 4.08Å; R135-M255 HydrophobicContact CG-CE 3.49Å; R135-M255 VanDerWaalsContact CG-CE 3.49Å; R135-M255 HydrophobicContact CG-SD 3.54Å; R135-M255 VanDerWaalsContact CG-SD 3.54Å |
| 136 | Y | 87 | Confident | 85.3 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.7 | -54.1 | 168.5 | 172.6 | -91.3 | 0 | 0 | 0 | 110.7 | A132 L133 A138 I139 I140 V223 V224 | A132-Y136 PolarHBondContact O-N 2.69Å; L133-Y136 WeakPolarHBondContact O-CB 3.12Å; L133-Y136 PolarHBondContact O-N 2.89Å; Y136-A138 PolarHBondContact O-N 3.42Å; Y136-I139 PolarHBondContact O-N 3.03Å; Y136-I140 HydrophobicContact CD2-CG1 3.89Å; Y136-I140 HydrophobicContact CE2-CB 4.44Å; Y136-I140 HydrophobicContact CE2-CG1 3.76Å; Y136-I140 HydrophobicContact CG-CG1 4.43Å; Y136-I140 WeakPolarHBondContact O-CB 3.42Å; Y136-I140 WeakPolarHBondContact O-CG1 3.34Å; Y136-I140 PolarHBondContact O-N 3.2Å; Y136-V223 HydrophobicContact CD2-CB 4.48Å; Y136-V223 HydrophobicContact CD2-CG1 4.46Å; Y136-V223 HydrophobicContact CE2-CB 4.02Å; Y136-V223 HydrophobicContact CE2-CG1 3.72Å; Y136-V224 HydrophobicContact CD2-CG2 4.06Å |
| 137 | M | 86.1 | Confident | 84.5 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 179.7 | -67.5 | -62.8 | -70.5 | 0 | 0 | 111.9 | L133 I139 H141 Q144 | L133-M137 VanDerWaalsContact O-CG 3.29Å; L133-M137 WeakPolarHBondContact O-CG 3.4Å; L133-M137 PolarHBondContact O-N 2.93Å; M137-I139 VanDerWaalsContact C-N 3.25Å; M137-I139 PolarHBondContact O-N 2.98Å; M137-H141 CarbonylContact O-C 3.56Å; M137-H141 VanDerWaalsContact O-C 3.26Å; M137-H141 WeakPolarHBondContact O-CA 3.24Å; M137-H141 PolarHBondContact O-N 3.22Å; M137-Q144 HydrophobicContact CE-CB 4.47Å |
| 138 | A | 83.2 | Confident | 84.1 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.8 | -21.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | D134 R135 Y136 | D134-A138 VanDerWaalsContact O-CB 3.3Å; D134-A138 WeakPolarHBondContact O-CB 3.35Å; D134-A138 PolarHBondContact O-N 3.03Å; R135-A138 PolarHBondContact O-N 3.06Å; Y136-A138 PolarHBondContact O-N 3.42Å |
| 139 | I | 81.5 | Confident | 83.7 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 16% | 0.159 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -98.8 | -44.7 | -177.4 | -65.1 | 167.4 | 0 | 0 | 0 | 110.8 | R135 Y136 M137 V224 L228 V252 | R135-I139 WeakPolarHBondContact O-CB 3.32Å; R135-I139 WeakPolarHBondContact O-CD1 3.37Å; R135-I139 VanDerWaalsContact O-CG1 3.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.32Å; R135-I139 PolarHBondContact O-N 3Å; R135-I139 VanDerWaalsContact O-N 3.12Å; Y136-I139 PolarHBondContact O-N 3.03Å; M137-I139 VanDerWaalsContact C-N 3.25Å; M137-I139 PolarHBondContact O-N 2.98Å; I139-V224 HydrophobicContact CD1-CG1 3.5Å; I139-V224 HydrophobicContact CD1-CG2 4.42Å; I139-V224 HydrophobicContact CG2-CG1 4.43Å; I139-L228 HydrophobicContact CD1-CD1 4.3Å; I139-L228 HydrophobicContact CG2-CD2 4.26Å; I139-L228 HydrophobicContact CG2-CG 4.26Å; I139-V252 HydrophobicContact CD1-CG2 3.81Å |
| 140 | I | 83.4 | Confident | 83.4 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -85.1 | -37.9 | -174.4 | -55.7 | -55.5 | 0 | 0 | 0 | 111.9 | Y136 P142 V223 N227 | Y136-I140 HydrophobicContact CD2-CG1 3.89Å; Y136-I140 HydrophobicContact CE2-CB 4.44Å; Y136-I140 HydrophobicContact CE2-CG1 3.76Å; Y136-I140 HydrophobicContact CG-CG1 4.43Å; Y136-I140 WeakPolarHBondContact O-CB 3.42Å; Y136-I140 WeakPolarHBondContact O-CG1 3.34Å; Y136-I140 PolarHBondContact O-N 3.2Å; I140-P142 VanDerWaalsContact C-CD 3.43Å; I140-P142 VanDerWaalsContact O-CD 3.3Å; I140-P142 WeakPolarHBondContact O-CD 3.32Å; I140-V223 HydrophobicContact CD1-CG1 4.17Å; I140-V223 HydrophobicContact CG1-CG1 4.4Å; I140-N227 HydrophobicContact CD1-CB 3.81Å; I140-N227 WeakPolarHBondContact CD1-ND2 3.45Å |
| 141 | H | 82.8 | Confident | 83.3 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | trans | -123.4 | 66 | -175.9 | -59.9 | -56.1 | 0 | 0 | 0 | 111.6 | M137 L143 Q144 | M137-H141 CarbonylContact O-C 3.56Å; M137-H141 VanDerWaalsContact O-C 3.26Å; M137-H141 WeakPolarHBondContact O-CA 3.24Å; M137-H141 PolarHBondContact O-N 3.22Å; H141-L143 PolarHBondContact O-N 3.35Å; H141-L143 VanDerWaalsContact O-N 3.1Å; H141-Q144 HydrophobicContact CB-CB 4.2Å; H141-Q144 HydrophobicContact CB-CG 4.07Å; H141-Q144 PolarHBondContact O-N 3.29Å; H141-Q144 VanDerWaalsContact O-N 3.13Å | ||
| 142 | P | 79.3 | Confident | 83.2 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19.5 | -173.1 | 26.9 | -36 | 0 | 0 | 0 | 114.6 | I140 | I140-P142 VanDerWaalsContact C-CD 3.43Å; I140-P142 VanDerWaalsContact O-CD 3.3Å; I140-P142 WeakPolarHBondContact O-CD 3.32Å |
| 143 | L | 75.8 | Confident | 83.2 | Confident | 172 Ų | 172 | 77.9 Ų | 77.9 | 90% | 0.901 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -10.4 | -179.4 | -63.6 | 174.4 | 0 | 0 | 0 | 113.5 | H141 | H141-L143 PolarHBondContact O-N 3.35Å; H141-L143 VanDerWaalsContact O-N 3.1Å |
| 144 | Q | 77.3 | Confident | 83.4 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -81.1 | 145 | 175.3 | -71.6 | -179.3 | -11.3 | 0 | 0 | 110.4 | M137 H141 R146 | M137-Q144 HydrophobicContact CE-CB 4.47Å; H141-Q144 HydrophobicContact CB-CB 4.2Å; H141-Q144 HydrophobicContact CB-CG 4.07Å; H141-Q144 PolarHBondContact O-N 3.29Å; H141-Q144 VanDerWaalsContact O-N 3.13Å; Q144-R146 PolarHBondContact O-N 2.87Å |
| 145 | Q | 70.3 | Confident | 83.7 | Confident | 194 Ų | 194 | 80.8 Ų | 80.8 | 91% | 0.907 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 127.3 | 179.1 | -69 | -170.8 | -47.3 | 0 | 0 | 110.1 | ||
| 146 | R | 78.9 | Confident | 84.2 | Confident | 125 Ų | 125 | 79.8 Ų | 79.8 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 153.5 | 173.4 | -65.2 | -177.5 | 73.9 | -158.4 | -1.3 | 109.7 | D134 R135 Q144 S148 | D134-R146 VanDerWaalsContact CG-NH2 3.27Å; D134-R146 IonicContact OD1-CZ 2.72Å; D134-R146 IonicContact OD1-NE 3.54Å; D134-R146 PolarHBondContact OD1-NE 2.76Å; D134-R146 IonicContact OD1-NH2 2.89Å; D134-R146 PolarHBondContact OD1-NH2 3.45Å; D134-R146 IonicContact OD2-NH2 2.98Å; D134-R146 PolarHBondContact OD2-NH2 3.49Å; R135-R146 VanDerWaalsContact NH1-NH2 3.16Å; Q144-R146 PolarHBondContact O-N 2.87Å; R146-S148 PolarHBondContact O-N 3.27Å |
| 147 | M | 77.7 | Confident | 84.5 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -50 | 129.7 | 175.5 | -64.3 | -176.9 | -68 | 0 | 0 | 111 | V71 F75 D134 E151 | V71-M147 HydrophobicContact CG1-CB 4.36Å; V71-M147 HydrophobicContact CG1-CE 4.11Å; V71-M147 WeakPolarHBondContact CG2-O 3.46Å; F75-M147 HydrophobicContact CE2-CE 3.89Å; F75-M147 HydrophobicContact CZ-CE 4.35Å; D134-M147 HydrophobicContact CB-CE 3.92Å; M147-E151 WeakPolarHBondContact CA-OE2 3.28Å |
| 148 | S | 85.3 | Confident | 85 | Confident | 62 Ų | 62 | 78.9 Ų | 78.9 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 162.1 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | R146 T150 E151 T152 | R146-S148 PolarHBondContact O-N 3.27Å; S148-T150 PolarHBondContact O-N 2.9Å; S148-E151 WeakPolarHBondContact CB-OE2 3.37Å; S148-E151 PolarHBondContact N-OE2 3.24Å; S148-E151 PolarHBondContact O-N 3.09Å; S148-T152 PolarHBondContact O-N 3.21Å; S148-T152 PolarHBondContact O-OG1 3.37Å |
| 149 | S | 82.2 | Confident | 85.6 | Confident | 53 Ų | 53 | 78 Ų | 78 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -30.5 | 174.1 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | K153 | S149-K153 WeakPolarHBondContact O-CG 3.44Å; S149-K153 PolarHBondContact O-N 3.36Å |
| 150 | T | 87.9 | Confident | 86.4 | Confident | 97 Ų | 97 | 78.7 Ų | 78.7 | 60% | 0.595 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.2 | -47.8 | 175.4 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | S148 T152 K153 V154 | S148-T150 PolarHBondContact O-N 2.9Å; T150-T152 VanDerWaalsContact C-N 3.28Å; T150-T152 PolarHBondContact O-N 3.06Å; T150-K153 PolarHBondContact O-N 2.97Å; T150-K153 VanDerWaalsContact O-N 3.14Å; T150-V154 WeakPolarHBondContact O-CG2 3.5Å; T150-V154 PolarHBondContact O-N 2.96Å |
| 151 | E | 89 | Confident | 87 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 50% | 0.5 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 177 | -64.9 | 174 | 136.8 | 0 | 0 | 111.1 | M147 S148 K153 V154 V155 | M147-E151 WeakPolarHBondContact CA-OE2 3.28Å; S148-E151 WeakPolarHBondContact CB-OE2 3.37Å; S148-E151 PolarHBondContact N-OE2 3.24Å; S148-E151 PolarHBondContact O-N 3.09Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.46Å; E151-V154 WeakPolarHBondContact O-CB 3.46Å; E151-V154 PolarHBondContact O-N 2.95Å; E151-V154 VanDerWaalsContact O-N 3.16Å; E151-V155 WeakPolarHBondContact O-CG2 3.12Å; E151-V155 PolarHBondContact O-N 3.29Å |
| 152 | T | 88.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.006 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | V71 F75 S148 T150 V154 V155 V156 | V71-T152 HydrophobicContact CG1-CG2 4.23Å; V71-T152 VanDerWaalsContact CG1-OG1 3.3Å; V71-T152 WeakPolarHBondContact CG1-OG1 2.96Å; F75-T152 HydrophobicContact CD2-CG2 4.23Å; F75-T152 HydrophobicContact CE1-CG2 4.29Å; F75-T152 HydrophobicContact CE2-CG2 3.78Å; F75-T152 HydrophobicContact CZ-CG2 3.81Å; S148-T152 PolarHBondContact O-N 3.21Å; S148-T152 PolarHBondContact O-OG1 3.37Å; T150-T152 VanDerWaalsContact C-N 3.28Å; T150-T152 PolarHBondContact O-N 3.06Å; T152-V154 VanDerWaalsContact C-N 3.35Å; T152-V155 PolarHBondContact O-N 3.03Å; T152-V156 WeakPolarHBondContact O-CG2 3.44Å; T152-V156 PolarHBondContact O-N 3.5Å |
| 153 | K | 89.4 | Confident | 88.5 | Confident | 131 Ų | 131 | 76.6 Ų | 76.6 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.8 | -38.3 | 177.2 | -69.8 | 172.5 | -172.9 | 178 | 0 | 111.8 | S149 T150 E151 V156 G157 | S149-K153 WeakPolarHBondContact O-CG 3.44Å; S149-K153 PolarHBondContact O-N 3.36Å; T150-K153 PolarHBondContact O-N 2.97Å; T150-K153 VanDerWaalsContact O-N 3.14Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.46Å; K153-V156 PolarHBondContact O-N 3.44Å; K153-G157 PolarHBondContact O-N 3.42Å |
| 154 | V | 93.9 | Very high | 89.4 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | T150 E151 T152 V156 G157 V158 | T150-V154 WeakPolarHBondContact O-CG2 3.5Å; T150-V154 PolarHBondContact O-N 2.96Å; E151-V154 WeakPolarHBondContact O-CB 3.46Å; E151-V154 PolarHBondContact O-N 2.95Å; E151-V154 VanDerWaalsContact O-N 3.16Å; T152-V154 VanDerWaalsContact C-N 3.35Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V154-V156 PolarHBondContact O-N 3.38Å; V154-G157 PolarHBondContact O-N 3.31Å; V154-G157 VanDerWaalsContact O-N 3.11Å; V154-V158 HydrophobicContact CG1-CG2 4.42Å; V154-V158 WeakPolarHBondContact O-CG2 3.45Å; V154-V158 PolarHBondContact O-N 3.43Å |
| 155 | V | 94.2 | Very high | 90.3 | Very high | 51 Ų | 51 | 72.2 Ų | 72.2 | 31% | 0.309 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | F75 E151 T152 G157 V158 I159 | F75-V155 HydrophobicContact CE1-CB 4.44Å; F75-V155 HydrophobicContact CE1-CG1 3.88Å; F75-V155 HydrophobicContact CZ-CB 4.34Å; F75-V155 HydrophobicContact CZ-CG1 3.96Å; E151-V155 WeakPolarHBondContact O-CG2 3.12Å; E151-V155 PolarHBondContact O-N 3.29Å; T152-V155 PolarHBondContact O-N 3.03Å; V155-G157 VanDerWaalsContact C-N 3.34Å; V155-G157 PolarHBondContact O-N 3.24Å; V155-V158 PolarHBondContact O-N 3.06Å; V155-I159 HydrophobicContact CG1-CD1 3.89Å; V155-I159 HydrophobicContact CG1-CG1 4.43Å; V155-I159 VanDerWaalsContact O-CG1 3.27Å; V155-I159 WeakPolarHBondContact O-CG1 3.41Å; V155-I159 PolarHBondContact O-N 3.4Å |
| 156 | V | 93.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.4 | 171 | 0 | 0 | 0 | 0 | 111.4 | F75 N78 T152 K153 V154 V158 I159 W160 | F75-V156 HydrophobicContact CD1-CG2 4.03Å; F75-V156 HydrophobicContact CE1-CG2 3.92Å; N78-V156 HydrophobicContact CB-CG1 4.32Å; N78-V156 HydrophobicContact CB-CG2 4.35Å; N78-V156 WeakPolarHBondContact OD1-CG1 3.48Å; T152-V156 WeakPolarHBondContact O-CG2 3.44Å; T152-V156 PolarHBondContact O-N 3.5Å; K153-V156 PolarHBondContact O-N 3.44Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V154-V156 PolarHBondContact O-N 3.38Å; V156-V158 PolarHBondContact O-N 2.9Å; V156-I159 PolarHBondContact O-N 3.5Å; V156-W160 VanDerWaalsContact O-CD1 3.31Å; V156-W160 PolarHBondContact O-N 3.04Å |
| 157 | G | 94.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 58.2 Ų | 58.2 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K153 V154 V155 W160 V161 | K153-G157 PolarHBondContact O-N 3.42Å; V154-G157 PolarHBondContact O-N 3.31Å; V154-G157 VanDerWaalsContact O-N 3.11Å; V155-G157 VanDerWaalsContact C-N 3.34Å; V155-G157 PolarHBondContact O-N 3.24Å; G157-W160 PolarHBondContact O-N 3.44Å; G157-V161 WeakPolarHBondContact O-CG2 3.3Å; G157-V161 PolarHBondContact O-N 3.07Å |
| 158 | V | 96.3 | Very high | 93 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | V154 V155 V156 W160 V161 L162 | V154-V158 HydrophobicContact CG1-CG2 4.42Å; V154-V158 WeakPolarHBondContact O-CG2 3.45Å; V154-V158 PolarHBondContact O-N 3.43Å; V155-V158 PolarHBondContact O-N 3.06Å; V156-V158 PolarHBondContact O-N 2.9Å; V158-W160 VanDerWaalsContact C-N 3.3Å; V158-W160 PolarHBondContact O-N 2.92Å; V158-V161 PolarHBondContact O-N 3.04Å; V158-L162 HydrophobicContact CG1-CD1 3.88Å; V158-L162 HydrophobicContact CG1-CG 4.27Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 2.87Å |
| 159 | I | 96.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.9 | -47.2 | 176.8 | -72.3 | 167.7 | 0 | 0 | 0 | 110.4 | F122 A123 V155 V156 L162 A163 | F122-I159 HydrophobicContact CD1-CG2 4.37Å; F122-I159 HydrophobicContact CE1-CG2 4.45Å; A123-I159 HydrophobicContact CB-CG2 4.16Å; V155-I159 HydrophobicContact CG1-CD1 3.89Å; V155-I159 HydrophobicContact CG1-CG1 4.43Å; V155-I159 VanDerWaalsContact O-CG1 3.27Å; V155-I159 WeakPolarHBondContact O-CG1 3.41Å; V155-I159 PolarHBondContact O-N 3.4Å; V156-I159 PolarHBondContact O-N 3.5Å; I159-L162 PolarHBondContact O-N 2.92Å; I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.41Å; I159-A163 PolarHBondContact O-N 3.12Å |
| 160 | W | 96.9 | Very high | 93.8 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 178.4 | -84 | 100.6 | 0 | 0 | 0 | 112.7 | N78 F81 A82 A123 V156 G157 V158 L162 A163 L164 | N78-W160 PolarHBondContact OD1-NE1 3.12Å; F81-W160 AromaticContact CD1-CZ2 3.99Å; F81-W160 HydrophobicContact CD1-CZ2 3.99Å; F81-W160 HydrophobicContact CE1-CH2 4.33Å; F81-W160 AromaticContact CE1-CZ2 3.98Å; F81-W160 HydrophobicContact CE1-CZ2 3.98Å; A82-W160 HydrophobicContact CB-CZ2 4.38Å; A123-W160 HydrophobicContact CB-CD2 4.4Å; A123-W160 HydrophobicContact CB-CH2 4.41Å; A123-W160 HydrophobicContact CB-CZ2 4.09Å; V156-W160 VanDerWaalsContact O-CD1 3.31Å; V156-W160 PolarHBondContact O-N 3.04Å; G157-W160 PolarHBondContact O-N 3.44Å; V158-W160 VanDerWaalsContact C-N 3.3Å; V158-W160 PolarHBondContact O-N 2.92Å; W160-L162 VanDerWaalsContact C-N 3.34Å; W160-L162 PolarHBondContact O-N 3.02Å; W160-A163 WeakPolarHBondContact O-CB 3.48Å; W160-A163 PolarHBondContact O-N 3.36Å; W160-L164 HydrophobicContact CE3-CD2 4.48Å; W160-L164 WeakPolarHBondContact O-CB 3.24Å; W160-L164 WeakPolarHBondContact O-CG 3.29Å; W160-L164 PolarHBondContact O-N 3.29Å |
| 161 | V | 97.3 | Very high | 94 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -48 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | G157 V158 A163 L164 L165 | G157-V161 WeakPolarHBondContact O-CG2 3.3Å; G157-V161 PolarHBondContact O-N 3.07Å; V158-V161 PolarHBondContact O-N 3.04Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 3.39Å; V161-L164 PolarHBondContact O-N 3.04Å; V161-L165 HydrophobicContact CG1-CD1 3.94Å; V161-L165 WeakPolarHBondContact O-CB 3.41Å; V161-L165 VanDerWaalsContact O-CG 3.24Å; V161-L165 WeakPolarHBondContact O-CG 3.24Å; V161-L165 PolarHBondContact O-N 3.33Å |
| 162 | L | 96.8 | Very high | 94.2 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 177.5 | -65.3 | 176.1 | 0 | 0 | 0 | 112.3 | F122 V158 I159 W160 L165 L166 | F122-L162 HydrophobicContact CE1-CB 3.82Å; F122-L162 HydrophobicContact CZ-CB 3.83Å; V158-L162 HydrophobicContact CG1-CD1 3.88Å; V158-L162 HydrophobicContact CG1-CG 4.27Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 2.87Å; I159-L162 PolarHBondContact O-N 2.92Å; W160-L162 VanDerWaalsContact C-N 3.34Å; W160-L162 PolarHBondContact O-N 3.02Å; L162-L165 PolarHBondContact O-N 2.86Å; L162-L166 WeakPolarHBondContact O-CB 3.35Å; L162-L166 PolarHBondContact O-N 3.27Å |
| 163 | A | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A119 F122 I159 W160 V161 L166 A167 | A119-A163 HydrophobicContact CB-CB 4.17Å; F122-A163 HydrophobicContact CB-CB 3.95Å; F122-A163 HydrophobicContact CD1-CB 3.49Å; F122-A163 VanDerWaalsContact CD1-CB 3.49Å; F122-A163 HydrophobicContact CE1-CB 4.26Å; F122-A163 HydrophobicContact CG-CB 3.93Å; I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.41Å; I159-A163 PolarHBondContact O-N 3.12Å; W160-A163 WeakPolarHBondContact O-CB 3.48Å; W160-A163 PolarHBondContact O-N 3.36Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 3.39Å; A163-L166 PolarHBondContact O-N 3.38Å; A163-A167 WeakPolarHBondContact O-CB 3.27Å; A163-A167 PolarHBondContact O-N 2.98Å |
| 164 | L | 95.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | -179.8 | -62.3 | 169.1 | 0 | 0 | 0 | 111 | F115 A119 W160 V161 A167 F168 | F115-L164 HydrophobicContact CE1-CD2 3.63Å; F115-L164 HydrophobicContact CE2-CD2 4.49Å; F115-L164 HydrophobicContact CZ-CB 4.14Å; F115-L164 HydrophobicContact CZ-CD2 3.34Å; F115-L164 HydrophobicContact CZ-CG 4.31Å; A119-L164 HydrophobicContact CB-CD2 4.19Å; W160-L164 HydrophobicContact CE3-CD2 4.48Å; W160-L164 WeakPolarHBondContact O-CB 3.24Å; W160-L164 WeakPolarHBondContact O-CG 3.29Å; W160-L164 PolarHBondContact O-N 3.29Å; V161-L164 PolarHBondContact O-N 3.04Å; L164-A167 PolarHBondContact O-N 2.87Å; L164-F168 WeakPolarHBondContact O-CB 3.39Å; L164-F168 PolarHBondContact O-N 3.48Å |
| 165 | L | 96.1 | Very high | 94.3 | Very high | 113 Ų | 113 | 53 Ų | 53 | 59% | 0.592 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 174.4 | -73.5 | 170.2 | 0 | 0 | 0 | 111.8 | V161 L162 A167 F168 | V161-L165 HydrophobicContact CG1-CD1 3.94Å; V161-L165 WeakPolarHBondContact O-CB 3.41Å; V161-L165 VanDerWaalsContact O-CG 3.24Å; V161-L165 WeakPolarHBondContact O-CG 3.24Å; V161-L165 PolarHBondContact O-N 3.33Å; L162-L165 PolarHBondContact O-N 2.86Å; L165-A167 VanDerWaalsContact C-N 3.32Å; L165-A167 PolarHBondContact O-N 2.97Å; L165-F168 PolarHBondContact O-N 3.39Å |
| 166 | L | 94.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.6 | -34.8 | 177.7 | -175.6 | 65.4 | 0 | 0 | 0 | 112.2 | F122 L162 A163 P169 Y201 V205 L208 I209 | F122-L166 HydrophobicContact CD2-CD2 3.52Å; F122-L166 HydrophobicContact CE2-CD2 3.88Å; L162-L166 WeakPolarHBondContact O-CB 3.35Å; L162-L166 PolarHBondContact O-N 3.27Å; A163-L166 PolarHBondContact O-N 3.38Å; L166-P169 WeakPolarHBondContact O-CD 3.33Å; L166-Y201 WeakPolarHBondContact O-CE2 3.39Å; L166-Y201 PolarHBondContact O-OH 3.39Å; L166-V205 HydrophobicContact CD1-CG2 4.07Å; L166-V205 HydrophobicContact CD2-CG2 4.46Å; L166-V205 HydrophobicContact CG-CG2 4.25Å; L166-L208 HydrophobicContact CD1-CD1 3.87Å; L166-L208 HydrophobicContact CD2-CB 4.28Å; L166-L208 HydrophobicContact CD2-CD1 4.3Å; L166-I209 HydrophobicContact CD2-CD1 3.86Å; L166-I209 HydrophobicContact CD2-CG1 3.82Å |
| 167 | A | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -78.3 | -21.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F115 I118 A119 A163 L164 L165 Q170 Y171 | F115-A167 HydrophobicContact CD2-CB 3.41Å; F115-A167 VanDerWaalsContact CD2-CB 3.41Å; F115-A167 WeakPolarHBondContact CD2-O 3.2Å; F115-A167 HydrophobicContact CE2-CB 3.45Å; F115-A167 VanDerWaalsContact CE2-CB 3.45Å; F115-A167 HydrophobicContact CG-CB 4.19Å; F115-A167 HydrophobicContact CZ-CB 4.25Å; F115-A167 WeakPolarHBondContact O-CB 3.46Å; I118-A167 HydrophobicContact CB-CB 4Å; I118-A167 HydrophobicContact CG2-CB 4.04Å; A119-A167 HydrophobicContact CB-CB 4.06Å; A163-A167 WeakPolarHBondContact O-CB 3.27Å; A163-A167 PolarHBondContact O-N 2.98Å; L164-A167 PolarHBondContact O-N 2.87Å; L165-A167 VanDerWaalsContact C-N 3.32Å; L165-A167 PolarHBondContact O-N 2.97Å; A167-Q170 WeakPolarHBondContact O-CB 3.38Å; A167-Q170 PolarHBondContact O-N 3.15Å; A167-Q170 VanDerWaalsContact O-N 3.15Å; A167-Y171 PolarHBondContact O-N 2.97Å |
| 168 | F | 93.9 | Very high | 93.4 | Very high | 111 Ų | 111 | 62.2 Ų | 62.2 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.4 | -41.8 | -173.3 | 179.4 | -98.9 | 0 | 0 | 0 | 115.4 | L164 L165 Q170 Y171 Y172 | L164-F168 WeakPolarHBondContact O-CB 3.39Å; L164-F168 PolarHBondContact O-N 3.48Å; L165-F168 PolarHBondContact O-N 3.39Å; F168-Q170 VanDerWaalsContact C-N 3.26Å; F168-Q170 PolarHBondContact O-N 3Å; F168-Y171 HydrophobicContact CD2-CD1 4.41Å; F168-Y171 HydrophobicContact CE2-CD1 4.26Å; F168-Y171 VanDerWaalsContact O-CB 3.32Å; F168-Y171 WeakPolarHBondContact O-CB 3.47Å; F168-Y171 PolarHBondContact O-N 3.46Å; F168-Y171 VanDerWaalsContact O-N 3.09Å; F168-Y172 HydrophobicContact CZ-CD2 4.38Å; F168-Y172 PolarHBondContact O-N 3.4Å |
| 169 | P | 92.8 | Very high | 92.8 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 23% | 0.234 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.4 | -39.4 | 177.5 | -27.6 | 37.4 | 0 | 0 | 0 | 113 | L166 Y171 Y172 Y173 W189 Y201 | L166-P169 WeakPolarHBondContact O-CD 3.33Å; P169-Y171 VanDerWaalsContact C-N 3.34Å; P169-Y171 PolarHBondContact O-N 3.49Å; P169-Y172 PolarHBondContact O-N 2.89Å; P169-Y173 HydrophobicContact CB-CD2 4.48Å; P169-Y173 WeakPolarHBondContact O-CD2 3.25Å; P169-Y173 PolarHBondContact O-N 2.99Å; P169-W189 HydrophobicContact CB-CH2 3.91Å; P169-W189 HydrophobicContact CB-CZ3 4.46Å; P169-Y201 HydrophobicContact CB-CD2 4.06Å; P169-Y201 HydrophobicContact CB-CE2 3.82Å; P169-Y201 HydrophobicContact CG-CD2 4.17Å; P169-Y201 HydrophobicContact CG-CE2 3.79Å |
| 170 | Q | 90.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 177.8 | -72.5 | -87 | -11.7 | 0 | 0 | 111.9 | I118 A167 F168 S174 W189 Y201 | I118-Q170 HydrophobicContact CD1-CB 3.89Å; I118-Q170 HydrophobicContact CD1-CG 3.49Å; I118-Q170 VanDerWaalsContact CD1-CG 3.49Å; A167-Q170 WeakPolarHBondContact O-CB 3.38Å; A167-Q170 PolarHBondContact O-N 3.15Å; A167-Q170 VanDerWaalsContact O-N 3.15Å; F168-Q170 VanDerWaalsContact C-N 3.26Å; F168-Q170 PolarHBondContact O-N 3Å; Q170-S174 VanDerWaalsContact O-CB 3.26Å; Q170-S174 WeakPolarHBondContact O-CB 3.48Å; Q170-S174 PolarHBondContact O-N 2.9Å; Q170-S174 PolarHBondContact O-OG 2.93Å; Q170-W189 HydrophobicContact CG-CZ2 4.46Å; Q170-Y201 HydrophobicContact CG-CD1 4.34Å; Q170-Y201 HydrophobicContact CG-CE1 3.35Å; Q170-Y201 VanDerWaalsContact CG-CZ 3.45Å; Q170-Y201 WeakPolarHBondContact CG-OH 3.18Å |
| 171 | Y | 93.3 | Very high | 91 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 33% | 0.333 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 170.5 | 174.4 | -94 | 0 | 0 | 0 | 111.9 | R111 F115 A167 F168 P169 | R111-Y171 HydrophobicContact CB-CD2 3.49Å; R111-Y171 VanDerWaalsContact CB-CD2 3.49Å; R111-Y171 HydrophobicContact CB-CE2 3.48Å; R111-Y171 VanDerWaalsContact CB-CE2 3.48Å; R111-Y171 HydrophobicContact CB-CG 4.27Å; R111-Y171 WeakPolarHBondContact CD-O 3.25Å; R111-Y171 HydrophobicContact CG-CD2 4.5Å; R111-Y171 HydrophobicContact CG-CE2 4.39Å; R111-Y171 WeakPolarHBondContact CG-O 3.34Å; F115-Y171 HydrophobicContact CB-CD2 4.28Å; F115-Y171 HydrophobicContact CD2-CG 4.47Å; F115-Y171 HydrophobicContact CG-CD2 4.46Å; A167-Y171 PolarHBondContact O-N 2.97Å; F168-Y171 HydrophobicContact CD2-CD1 4.41Å; F168-Y171 HydrophobicContact CE2-CD1 4.26Å; F168-Y171 VanDerWaalsContact O-CB 3.32Å; F168-Y171 WeakPolarHBondContact O-CB 3.47Å; F168-Y171 PolarHBondContact O-N 3.46Å; F168-Y171 VanDerWaalsContact O-N 3.09Å; P169-Y171 VanDerWaalsContact C-N 3.34Å; P169-Y171 PolarHBondContact O-N 3.49Å |
| 172 | Y | 92.3 | Very high | 90.4 | Very high | 145 Ų | 145 | 68.6 Ų | 68.6 | 57% | 0.569 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.2 | -45.4 | -174.3 | -174.6 | -96.4 | 0 | 0 | 0 | 112.4 | F168 P169 | F168-Y172 HydrophobicContact CZ-CD2 4.38Å; F168-Y172 PolarHBondContact O-N 3.4Å; P169-Y172 PolarHBondContact O-N 2.89Å |
| 173 | Y | 91.6 | Very high | 89.9 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 26% | 0.263 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -85 | -5.6 | -177.9 | -66.3 | -60.9 | 0 | 0 | 0 | 114.2 | P169 T175 E188 W189 P190 | P169-Y173 HydrophobicContact CB-CD2 4.48Å; P169-Y173 WeakPolarHBondContact O-CD2 3.25Å; P169-Y173 PolarHBondContact O-N 2.99Å; Y173-T175 PolarHBondContact O-N 3.1Å; Y173-E188 WeakPolarHBondContact CB-O 3.09Å; Y173-E188 VanDerWaalsContact CD1-O 3.32Å; Y173-E188 WeakPolarHBondContact CD1-O 3.21Å; Y173-E188 PolarHBondContact O-N 3.02Å; Y173-W189 HydrophobicContact CD2-CD2 4.24Å; Y173-W189 AromaticContact CD2-CE3 3.66Å; Y173-W189 HydrophobicContact CD2-CE3 3.66Å; Y173-W189 AromaticContact CD2-CH2 3.94Å; Y173-W189 HydrophobicContact CD2-CH2 3.94Å; Y173-W189 HydrophobicContact CD2-CZ2 4.48Å; Y173-W189 AromaticContact CD2-CZ3 3.5Å; Y173-W189 HydrophobicContact CD2-CZ3 3.5Å; Y173-W189 VanDerWaalsContact CD2-CZ3 3.5Å; Y173-W189 AromaticContact CE2-CE3 3.8Å; Y173-W189 HydrophobicContact CE2-CE3 3.8Å; Y173-W189 HydrophobicContact CE2-CH2 4.3Å; Y173-W189 AromaticContact CE2-CZ3 3.53Å; Y173-W189 HydrophobicContact CE2-CZ3 3.53Å; Y173-W189 HydrophobicContact CG-CE3 4.33Å; Y173-P190 HydrophobicContact CE1-CG 3.94Å |
| 174 | S | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.1 | 174.6 | -75.6 | 0 | 0 | 0 | 0 | 111.5 | R111 N114 Q170 | R111-S174 WeakPolarHBondContact CG-O 3.33Å; R111-S174 PolarHBondContact NE-O 3.34Å; N114-S174 WeakPolarHBondContact CB-OG 3.36Å; N114-S174 PolarHBondContact ND2-OG 3Å; Q170-S174 VanDerWaalsContact O-CB 3.26Å; Q170-S174 WeakPolarHBondContact O-CB 3.48Å; Q170-S174 PolarHBondContact O-N 2.9Å; Q170-S174 PolarHBondContact O-OG 2.93Å |
| 175 | T | 91.4 | Very high | 89.2 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 167.8 | 179.4 | -164.8 | 0 | 0 | 0 | 0 | 112 | C110 Y173 Y186 E188 | C110-T175 PolarHBondContact SG-O 3.44Å; C110-T175 VanDerWaalsContact SG-O 3.4Å; Y173-T175 PolarHBondContact O-N 3.1Å; T175-Y186 HydrophobicContact CG2-CD1 4.13Å; T175-Y186 HydrophobicContact CG2-CE1 3.38Å; T175-Y186 HydrophobicContact CG2-CE2 4.28Å; T175-Y186 PolarHBondContact N-O 2.98Å; T175-Y186 PolarHBondContact O-N 3.46Å; T175-E188 HydrophobicContact CG2-CB 3.98Å |
| 176 | T | 90.4 | Very high | 88.7 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 24% | 0.239 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.6 | 178.1 | 53.5 | 0 | 0 | 0 | 0 | 110 | L107 C110 V184 | L107-T176 HydrophobicContact CB-CG2 4.46Å; L107-T176 HydrophobicContact CD1-CG2 4.23Å; C110-T176 HydrophobicContact CB-CG2 3.78Å; T176-V184 CarbonylContact C-O 3.59Å; T176-V184 VanDerWaalsContact CA-O 3.27Å; T176-V184 WeakPolarHBondContact CA-O 3.37Å |
| 177 | Y | 86.8 | Confident | 88.3 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.4 | 176.4 | -165 | -100.9 | 0 | 0 | 0 | 111.5 | L179 V184 Y186 | Y177-L179 HydrophobicContact CD1-CD1 3.61Å; Y177-L179 HydrophobicContact CD1-CG 3.99Å; Y177-L179 HydrophobicContact CE1-CD1 4.39Å; Y177-L179 HydrophobicContact CE1-CG 4.3Å; Y177-V184 PolarHBondContact N-O 3.05Å; Y177-V184 PolarHBondContact O-N 2.85Å; Y177-Y186 VanDerWaalsContact CB-CE1 3.45Å; Y177-Y186 HydrophobicContact CG-CE1 4.43Å |
| 178 | Q | 87 | Confident | 88 | Confident | 133 Ų | 133 | 69.7 Ų | 69.7 | 62% | 0.621 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 104.2 | 177.2 | -66.6 | -72 | -3.9 | 0 | 0 | 108.7 | ||
| 179 | L | 82.2 | Confident | 87.5 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 155.1 | 168.4 | -77.2 | 93.2 | 0 | 0 | 0 | 109.5 | Y177 G181 R182 V184 | Y177-L179 HydrophobicContact CD1-CD1 3.61Å; Y177-L179 HydrophobicContact CD1-CG 3.99Å; Y177-L179 HydrophobicContact CE1-CD1 4.39Å; Y177-L179 HydrophobicContact CE1-CG 4.3Å; L179-G181 PolarHBondContact O-N 3.43Å; L179-R182 WeakPolarHBondContact CA-O 3.46Å; L179-R182 HydrophobicContact CB-CG 4.02Å; L179-R182 PolarHBondContact N-O 2.66Å; L179-R182 PolarHBondContact O-N 3.06Å; L179-V184 HydrophobicContact CD1-CB 4.32Å; L179-V184 HydrophobicContact CD1-CG1 4.02Å; L179-V184 HydrophobicContact CD1-CG2 3.38Å |
| 180 | P | 78.8 | Confident | 87.1 | Confident | 139 Ų | 139 | 65.4 Ų | 65.4 | 90% | 0.903 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 109.5 | 173.6 | 22.2 | -31.6 | 0 | 0 | 0 | 110.1 | ||
| 181 | G | 77.5 | Confident | 86.3 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 73% | 0.732 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -3.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | L179 | L179-G181 PolarHBondContact O-N 3.43Š|
| 182 | R | 84.2 | Confident | 85.4 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 149.9 | 176 | 61.4 | 178 | -177.8 | -178.6 | -0.2 | 114.9 | E102 L179 V184 | E102-R182 HydrophobicContact CG-CB 3.77Å; L179-R182 WeakPolarHBondContact CA-O 3.46Å; L179-R182 HydrophobicContact CB-CG 4.02Å; L179-R182 PolarHBondContact N-O 2.66Å; L179-R182 PolarHBondContact O-N 3.06Å; R182-V184 HydrophobicContact CG-CG1 4.34Å |
| 183 | V | 86.6 | Confident | 84.1 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.7 | 167 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | W103 | W103-V183 HydrophobicContact CB-CB 4.34Å; W103-V183 HydrophobicContact CB-CG1 4.28Å; W103-V183 WeakPolarHBondContact CB-O 3.41Å; W103-V183 PolarHBondContact N-O 3.01Å |
| 184 | V | 87.3 | Confident | 83.2 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 13% | 0.127 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.5 | 172.8 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | T176 Y177 L179 R182 Y186 | T176-V184 CarbonylContact C-O 3.59Å; T176-V184 VanDerWaalsContact CA-O 3.27Å; T176-V184 WeakPolarHBondContact CA-O 3.37Å; Y177-V184 PolarHBondContact N-O 3.05Å; Y177-V184 PolarHBondContact O-N 2.85Å; L179-V184 HydrophobicContact CD1-CB 4.32Å; L179-V184 HydrophobicContact CD1-CG1 4.02Å; L179-V184 HydrophobicContact CD1-CG2 3.38Å; R182-V184 HydrophobicContact CG-CG1 4.34Å; V184-Y186 HydrophobicContact CG2-CD1 4.41Å |
| 185 | C | 89.3 | Confident | 82.4 | Confident | 17 Ų | 17 | 82.9 Ų | 82.9 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.4 | 169.5 | 172.3 | 0 | 0 | 0 | 0 | 108 | W103 C110 N114 | W103-C185 HydrophobicContact CB-CB 4.34Å; W103-C185 HydrophobicContact CD2-CB 3.49Å; W103-C185 VanDerWaalsContact CD2-CB 3.49Å; W103-C185 HydrophobicContact CE3-CB 3.67Å; W103-C185 HydrophobicContact CG-CB 3.77Å; W103-C185 HydrophobicContact CZ2-CB 4.5Å; W103-C185 HydrophobicContact CZ3-CB 4.24Å; C110-C185 VanDerWaalsContact CA-SG 3.52Å; C110-C185 HydrophobicContact CB-CB 3.85Å; C110-C185 WeakPolarHBondContact CB-SG 3.47Å; C110-C185 WeakPolarHBondContact SG-CB 3.39Å; C110-C185 CovalentContact SG-SG 2.03Å; C110-C185 PolarHBondContact SG-SG 2.98Å; N114-C185 PolarHBondContact ND2-SG 3.28Å |
| 186 | Y | 85.3 | Confident | 82 | Confident | 80 Ų | 80 | 84.7 Ų | 84.7 | 31% | 0.314 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 165.3 | 179.6 | 76.5 | -67 | 0 | 0 | 0 | 110.4 | T175 Y177 V184 E188 | T175-Y186 HydrophobicContact CG2-CD1 4.13Å; T175-Y186 HydrophobicContact CG2-CE1 3.38Å; T175-Y186 HydrophobicContact CG2-CE2 4.28Å; T175-Y186 PolarHBondContact N-O 2.98Å; T175-Y186 PolarHBondContact O-N 3.46Å; Y177-Y186 VanDerWaalsContact CB-CE1 3.45Å; Y177-Y186 HydrophobicContact CG-CE1 4.43Å; V184-Y186 HydrophobicContact CG2-CD1 4.41Å; Y186-E188 HydrophobicContact CD2-CB 4.46Å; Y186-E188 HydrophobicContact CE2-CB 3.75Å; Y186-E188 HydrophobicContact CE2-CG 4.22Å; Y186-E188 PolarHBondContact OH-OE2 3.02Å |
| 187 | I | 87.1 | Confident | 81.7 | Confident | 54 Ų | 54 | 87.1 Ų | 87.1 | 28% | 0.277 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115.3 | -179.5 | -56.5 | 143.6 | 0 | 0 | 0 | 107.3 | W189 | I187-W189 HydrophobicContact CG2-CG 4.42Å; I187-W189 HydrophobicContact CG2-CZ2 4.48Å; I187-W189 VanDerWaalsContact CG2-NE1 3.29Å; I187-W189 PolarHBondContact O-N 2.82Å |
| 188 | E | 87.1 | Confident | 81.7 | Confident | 108 Ų | 108 | 83.4 Ų | 83.4 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | trans | -95.4 | 92.5 | -179.9 | -172.7 | 172.8 | -158.3 | 0 | 0 | 109.2 | Y173 T175 Y186 | Y173-E188 WeakPolarHBondContact CB-O 3.09Å; Y173-E188 VanDerWaalsContact CD1-O 3.32Å; Y173-E188 WeakPolarHBondContact CD1-O 3.21Å; Y173-E188 PolarHBondContact O-N 3.02Å; T175-E188 HydrophobicContact CG2-CB 3.98Å; Y186-E188 HydrophobicContact CD2-CB 4.46Å; Y186-E188 HydrophobicContact CE2-CB 3.75Å; Y186-E188 HydrophobicContact CE2-CG 4.22Å; Y186-E188 PolarHBondContact OH-OE2 3.02Å | ||
| 189 | W | 85.1 | Confident | 81.6 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 8% | 0.083 | 43% | 0.428 | C | S | . | . | trans | -76.8 | 141.7 | 171.6 | -71.1 | 96.8 | 0 | 0 | 0 | 110.1 | P169 Q170 Y173 I187 D191 F197 Q198 Y201 | P169-W189 HydrophobicContact CB-CH2 3.91Å; P169-W189 HydrophobicContact CB-CZ3 4.46Å; Q170-W189 HydrophobicContact CG-CZ2 4.46Å; Y173-W189 HydrophobicContact CD2-CD2 4.24Å; Y173-W189 AromaticContact CD2-CE3 3.66Å; Y173-W189 HydrophobicContact CD2-CE3 3.66Å; Y173-W189 AromaticContact CD2-CH2 3.94Å; Y173-W189 HydrophobicContact CD2-CH2 3.94Å; Y173-W189 HydrophobicContact CD2-CZ2 4.48Å; Y173-W189 AromaticContact CD2-CZ3 3.5Å; Y173-W189 HydrophobicContact CD2-CZ3 3.5Å; Y173-W189 VanDerWaalsContact CD2-CZ3 3.5Å; Y173-W189 AromaticContact CE2-CE3 3.8Å; Y173-W189 HydrophobicContact CE2-CE3 3.8Å; Y173-W189 HydrophobicContact CE2-CH2 4.3Å; Y173-W189 AromaticContact CE2-CZ3 3.53Å; Y173-W189 HydrophobicContact CE2-CZ3 3.53Å; Y173-W189 HydrophobicContact CG-CE3 4.33Å; I187-W189 HydrophobicContact CG2-CG 4.42Å; I187-W189 HydrophobicContact CG2-CZ2 4.48Å; I187-W189 VanDerWaalsContact CG2-NE1 3.29Å; I187-W189 PolarHBondContact O-N 2.82Å; W189-D191 PolarHBondContact O-N 3.19Å; W189-F197 HydrophobicContact CE3-CB 4.34Å; W189-Q198 HydrophobicContact CB-CB 3.99Å; W189-Q198 HydrophobicContact CD2-CB 3.98Å; W189-Q198 HydrophobicContact CD2-CG 4.42Å; W189-Q198 HydrophobicContact CG-CB 3.67Å; W189-Q198 HydrophobicContact CG-CG 4Å; W189-Y201 AromaticContact CH2-CD1 3.75Å; W189-Y201 HydrophobicContact CH2-CD1 3.75Å; W189-Y201 AromaticContact CH2-CD2 3.87Å; W189-Y201 HydrophobicContact CH2-CD2 3.87Å; W189-Y201 HydrophobicContact CH2-CE1 4.42Å; W189-Y201 AromaticContact CH2-CG 3.44Å; W189-Y201 HydrophobicContact CH2-CG 3.44Å; W189-Y201 VanDerWaalsContact CH2-CG 3.44Å; W189-Y201 AromaticContact CZ2-CD1 3.59Å; W189-Y201 HydrophobicContact CZ2-CD1 3.59Å; W189-Y201 HydrophobicContact CZ2-CE1 4.18Å; W189-Y201 AromaticContact CZ2-CG 3.79Å; W189-Y201 HydrophobicContact CZ2-CG 3.79Å; W189-Y201 HydrophobicContact CZ3-CG 4.42Å | ||
| 190 | P | 82.8 | Confident | 81.9 | Confident | 35 Ų | 35 | 81.6 Ų | 81.6 | 23% | 0.227 | 43% | 0.433 | C | S | . | . | trans | -72.9 | 124.3 | 176.9 | 29.8 | -34.8 | 0 | 0 | 0 | 110.5 | Y173 Y192 | Y173-P190 HydrophobicContact CE1-CG 3.94Å; P190-Y192 HydrophobicContact CB-CD2 3.96Å; P190-Y192 HydrophobicContact CB-CE2 3.4Å; P190-Y192 HydrophobicContact CG-CD2 4.06Å; P190-Y192 HydrophobicContact CG-CE2 3.46Å; P190-Y192 VanDerWaalsContact CG-CE2 3.46Å; P190-Y192 WeakPolarHBondContact O-CD2 3.22Å; P190-Y192 PolarHBondContact O-N 2.92Å | ||
| 191 | D | 74.5 | Confident | 82.5 | Confident | 152 Ų | 152 | 76 Ų | 76 | 81% | 0.813 | 39% | 0.394 | S | S | * | . | trans | -79.1 | 100.2 | 177.4 | -66.9 | -33.6 | 0 | 0 | 0 | 110.2 | W189 | W189-D191 PolarHBondContact O-N 3.19Š| ||
| 192 | Y | 74.4 | Confident | 83 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 52% | 0.518 | 37% | 0.367 | S | S | . | . | trans | -105.3 | 133.6 | 172.3 | -63.9 | -79.4 | 0 | 0 | 0 | 110.5 | P190 T194 F197 | P190-Y192 HydrophobicContact CB-CD2 3.96Å; P190-Y192 HydrophobicContact CB-CE2 3.4Å; P190-Y192 HydrophobicContact CG-CD2 4.06Å; P190-Y192 HydrophobicContact CG-CE2 3.46Å; P190-Y192 VanDerWaalsContact CG-CE2 3.46Å; P190-Y192 WeakPolarHBondContact O-CD2 3.22Å; P190-Y192 PolarHBondContact O-N 2.92Å; Y192-T194 PolarHBondContact O-N 2.84Å; Y192-T194 VanDerWaalsContact O-N 3.11Å; Y192-F197 AromaticContact CD2-CD2 3.47Å; Y192-F197 HydrophobicContact CD2-CD2 3.47Å; Y192-F197 VanDerWaalsContact CD2-CD2 3.47Å; Y192-F197 AromaticContact CD2-CE2 3.36Å; Y192-F197 HydrophobicContact CD2-CE2 3.36Å; Y192-F197 AromaticContact CE2-CD2 3.96Å; Y192-F197 HydrophobicContact CE2-CD2 3.96Å; Y192-F197 AromaticContact CE2-CE2 3.76Å; Y192-F197 HydrophobicContact CE2-CE2 3.76Å; Y192-F197 HydrophobicContact CG-CD2 4.44Å; Y192-F197 HydrophobicContact CG-CE2 4.08Å | ||
| 193 | T | 65.3 | Low | 83.3 | Confident | 153 Ų | 153 | 72.8 Ų | 72.8 | 94% | 0.939 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -65.1 | -15.3 | -176 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 194 | T | 71.9 | Confident | 83.6 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 66% | 0.663 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -108.6 | -28.3 | -175.7 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | Y192 | Y192-T194 PolarHBondContact O-N 2.84Å; Y192-T194 VanDerWaalsContact O-N 3.11Å |
| 195 | F | 75.4 | Confident | 83.8 | Confident | 127 Ų | 127 | 73.4 Ų | 73.4 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | trans | -142.3 | 120.1 | -176.8 | -65.1 | -75.5 | 0 | 0 | 0 | 111.3 | F197 | F195-F197 HydrophobicContact CB-CD2 4.46Å; F195-F197 HydrophobicContact CB-CE2 4.13Å; F195-F197 HydrophobicContact CB-CZ 4.43Å; F195-F197 WeakPolarHBondContact O-CD2 3.5Å; F195-F197 PolarHBondContact O-N 3.39Å; F195-F197 VanDerWaalsContact O-N 3.09Å | ||
| 196 | D | 82.8 | Confident | 83.9 | Confident | 72 Ų | 72 | 72.8 Ų | 72.8 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | trans | -78.8 | 87.8 | 170.6 | -89.3 | -45.2 | 0 | 0 | 0 | 110.4 | Q198 K199 I200 | D196-Q198 PolarHBondContact O-N 2.91Å; D196-K199 HydrophobicContact CB-CB 3.73Å; D196-K199 HydrophobicContact CB-CD 3.65Å; D196-K199 HydrophobicContact CB-CG 3.54Å; D196-K199 WeakPolarHBondContact O-CB 3.28Å; D196-K199 PolarHBondContact O-N 3.15Å; D196-K199 VanDerWaalsContact O-N 3.11Å; D196-K199 VanDerWaalsContact OD2-CD 3.28Å; D196-K199 WeakPolarHBondContact OD2-CD 3.45Å; D196-K199 WeakPolarHBondContact OD2-CE 3.13Å; D196-K199 IonicContact OD2-NZ 2.7Å; D196-K199 PolarHBondContact OD2-NZ 2.89Å; D196-I200 WeakPolarHBondContact O-CG1 3.4Å; D196-I200 PolarHBondContact O-N 3.3Å; D196-I200 VanDerWaalsContact O-N 3.08Å | ||
| 197 | F | 85.3 | Confident | 84.3 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -34.1 | 177.4 | -72.1 | -84.6 | 0 | 0 | 0 | 112.6 | W189 Y192 F195 I200 Y201 | W189-F197 HydrophobicContact CE3-CB 4.34Å; Y192-F197 AromaticContact CD2-CD2 3.47Å; Y192-F197 HydrophobicContact CD2-CD2 3.47Å; Y192-F197 VanDerWaalsContact CD2-CD2 3.47Å; Y192-F197 AromaticContact CD2-CE2 3.36Å; Y192-F197 HydrophobicContact CD2-CE2 3.36Å; Y192-F197 AromaticContact CE2-CD2 3.96Å; Y192-F197 HydrophobicContact CE2-CD2 3.96Å; Y192-F197 AromaticContact CE2-CE2 3.76Å; Y192-F197 HydrophobicContact CE2-CE2 3.76Å; Y192-F197 HydrophobicContact CG-CD2 4.44Å; Y192-F197 HydrophobicContact CG-CE2 4.08Å; F195-F197 HydrophobicContact CB-CD2 4.46Å; F195-F197 HydrophobicContact CB-CE2 4.13Å; F195-F197 HydrophobicContact CB-CZ 4.43Å; F195-F197 WeakPolarHBondContact O-CD2 3.5Å; F195-F197 PolarHBondContact O-N 3.39Å; F195-F197 VanDerWaalsContact O-N 3.09Å; F197-I200 PolarHBondContact O-N 3.34Å; F197-Y201 VanDerWaalsContact O-CB 3.26Å; F197-Y201 WeakPolarHBondContact O-CB 3.46Å; F197-Y201 PolarHBondContact O-N 3.39Å |
| 198 | Q | 85.2 | Confident | 84.7 | Confident | 58 Ų | 58 | 73 Ų | 73 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.7 | -49 | 173.7 | 179.5 | 175.6 | -19.6 | 0 | 0 | 111.5 | W189 D196 Y201 H202 | W189-Q198 HydrophobicContact CB-CB 3.99Å; W189-Q198 HydrophobicContact CD2-CB 3.98Å; W189-Q198 HydrophobicContact CD2-CG 4.42Å; W189-Q198 HydrophobicContact CG-CB 3.67Å; W189-Q198 HydrophobicContact CG-CG 4Å; D196-Q198 PolarHBondContact O-N 2.91Å; Q198-Y201 PolarHBondContact O-N 2.85Å; Q198-H202 PolarHBondContact O-CD2 3.41Å; Q198-H202 PolarHBondContact O-N 3.32Å |
| 199 | K | 85.1 | Confident | 85 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 178.1 | -69 | -170.3 | 178.4 | 148.6 | 0 | 111.1 | D196 Y201 H202 V203 Q277 | D196-K199 HydrophobicContact CB-CB 3.73Å; D196-K199 HydrophobicContact CB-CD 3.65Å; D196-K199 HydrophobicContact CB-CG 3.54Å; D196-K199 WeakPolarHBondContact O-CB 3.28Å; D196-K199 PolarHBondContact O-N 3.15Å; D196-K199 VanDerWaalsContact O-N 3.11Å; D196-K199 VanDerWaalsContact OD2-CD 3.28Å; D196-K199 WeakPolarHBondContact OD2-CD 3.45Å; D196-K199 WeakPolarHBondContact OD2-CE 3.13Å; D196-K199 IonicContact OD2-NZ 2.7Å; D196-K199 PolarHBondContact OD2-NZ 2.89Å; K199-Y201 VanDerWaalsContact C-N 3.31Å; K199-Y201 PolarHBondContact O-N 3.12Å; K199-H202 PolarHBondContact O-N 2.76Å; K199-V203 WeakPolarHBondContact O-CB 3.38Å; K199-V203 VanDerWaalsContact O-CG2 3.31Å; K199-V203 WeakPolarHBondContact O-CG2 3.44Å; K199-V203 PolarHBondContact O-N 2.9Å; K199-Q277 HydrophobicContact CB-CG 4.19Å; K199-Q277 HydrophobicContact CD-CG 4.17Å; K199-Q277 WeakPolarHBondContact CE-O 3.46Å; K199-Q277 VanDerWaalsContact CG-CD 3.41Å; K199-Q277 HydrophobicContact CG-CG 3.48Å; K199-Q277 VanDerWaalsContact CG-CG 3.48Å |
| 200 | I | 89.1 | Confident | 85.4 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | -178.8 | -64.5 | 167.5 | 0 | 0 | 0 | 109.7 | D196 F197 V203 C204 | D196-I200 WeakPolarHBondContact O-CG1 3.4Å; D196-I200 PolarHBondContact O-N 3.3Å; D196-I200 VanDerWaalsContact O-N 3.08Å; F197-I200 PolarHBondContact O-N 3.34Å; I200-V203 PolarHBondContact O-N 3.07Å; I200-C204 WeakPolarHBondContact O-CB 3.49Å; I200-C204 PolarHBondContact O-N 2.87Å; I200-C204 PolarHBondContact O-SG 3Å |
| 201 | Y | 90.5 | Very high | 85.9 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 178.5 | -179.8 | -96.5 | 0 | 0 | 0 | 112.2 | L166 P169 Q170 W189 F197 Q198 K199 V203 C204 V205 | L166-Y201 WeakPolarHBondContact O-CE2 3.39Å; L166-Y201 PolarHBondContact O-OH 3.39Å; P169-Y201 HydrophobicContact CB-CD2 4.06Å; P169-Y201 HydrophobicContact CB-CE2 3.82Å; P169-Y201 HydrophobicContact CG-CD2 4.17Å; P169-Y201 HydrophobicContact CG-CE2 3.79Å; Q170-Y201 HydrophobicContact CG-CD1 4.34Å; Q170-Y201 HydrophobicContact CG-CE1 3.35Å; Q170-Y201 VanDerWaalsContact CG-CZ 3.45Å; Q170-Y201 WeakPolarHBondContact CG-OH 3.18Å; W189-Y201 AromaticContact CH2-CD1 3.75Å; W189-Y201 HydrophobicContact CH2-CD1 3.75Å; W189-Y201 AromaticContact CH2-CD2 3.87Å; W189-Y201 HydrophobicContact CH2-CD2 3.87Å; W189-Y201 HydrophobicContact CH2-CE1 4.42Å; W189-Y201 AromaticContact CH2-CG 3.44Å; W189-Y201 HydrophobicContact CH2-CG 3.44Å; W189-Y201 VanDerWaalsContact CH2-CG 3.44Å; W189-Y201 AromaticContact CZ2-CD1 3.59Å; W189-Y201 HydrophobicContact CZ2-CD1 3.59Å; W189-Y201 HydrophobicContact CZ2-CE1 4.18Å; W189-Y201 AromaticContact CZ2-CG 3.79Å; W189-Y201 HydrophobicContact CZ2-CG 3.79Å; W189-Y201 HydrophobicContact CZ3-CG 4.42Å; F197-Y201 VanDerWaalsContact O-CB 3.26Å; F197-Y201 WeakPolarHBondContact O-CB 3.46Å; F197-Y201 PolarHBondContact O-N 3.39Å; Q198-Y201 PolarHBondContact O-N 2.85Å; K199-Y201 VanDerWaalsContact C-N 3.31Å; K199-Y201 PolarHBondContact O-N 3.12Å; Y201-V203 VanDerWaalsContact C-N 3.33Å; Y201-V203 PolarHBondContact O-N 2.88Å; Y201-C204 PolarHBondContact O-N 3.44Å; Y201-V205 HydrophobicContact CD1-CG2 4.05Å; Y201-V205 HydrophobicContact CD2-CG2 4.39Å; Y201-V205 HydrophobicContact CE1-CG2 3.51Å; Y201-V205 HydrophobicContact CE2-CG2 3.92Å; Y201-V205 HydrophobicContact CG-CG2 4.45Å; Y201-V205 VanDerWaalsContact CZ-CG2 3.45Å; Y201-V205 WeakPolarHBondContact O-CB 3.4Å; Y201-V205 WeakPolarHBondContact O-CG2 3.43Å; Y201-V205 PolarHBondContact O-N 3.26Å |
| 202 | H | 88 | Confident | 86.9 | Confident | 35 Ų | 35 | 66.9 Ų | 66.9 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -37.6 | -179.2 | -76 | -63.1 | 0 | 0 | 0 | 112.7 | Q198 K199 V205 A206 | Q198-H202 PolarHBondContact O-CD2 3.41Å; Q198-H202 PolarHBondContact O-N 3.32Å; K199-H202 PolarHBondContact O-N 2.76Å; H202-V205 PolarHBondContact O-N 2.84Å; H202-A206 WeakPolarHBondContact O-CB 3.23Å; H202-A206 PolarHBondContact O-N 2.89Å |
| 203 | V | 90.9 | Very high | 87.9 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 174 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | K199 I200 Y201 V205 A206 I207 L274 F278 | K199-V203 WeakPolarHBondContact O-CB 3.38Å; K199-V203 VanDerWaalsContact O-CG2 3.31Å; K199-V203 WeakPolarHBondContact O-CG2 3.44Å; K199-V203 PolarHBondContact O-N 2.9Å; I200-V203 PolarHBondContact O-N 3.07Å; Y201-V203 VanDerWaalsContact C-N 3.33Å; Y201-V203 PolarHBondContact O-N 2.88Å; V203-V205 VanDerWaalsContact C-N 3.33Å; V203-V205 PolarHBondContact O-N 2.92Å; V203-A206 PolarHBondContact O-N 3.29Å; V203-I207 HydrophobicContact CG1-CD1 3.84Å; V203-I207 WeakPolarHBondContact O-CG1 3.43Å; V203-I207 PolarHBondContact O-N 3.07Å; V203-L274 HydrophobicContact CG2-CD2 4.06Å; V203-F278 HydrophobicContact CG2-CZ 4.36Å |
| 204 | C | 92.8 | Very high | 89.2 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 37% | 0.372 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 175.9 | -73 | 0 | 0 | 0 | 0 | 111.8 | I200 Y201 I207 L208 | I200-C204 WeakPolarHBondContact O-CB 3.49Å; I200-C204 PolarHBondContact O-N 2.87Å; I200-C204 PolarHBondContact O-SG 3Å; Y201-C204 PolarHBondContact O-N 3.44Å; C204-I207 PolarHBondContact O-N 3.3Å; C204-L208 WeakPolarHBondContact O-CB 3.19Å; C204-L208 WeakPolarHBondContact O-CG 3.49Å; C204-L208 PolarHBondContact O-N 3.46Å |
| 205 | V | 91.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.8 | 167.3 | 0 | 0 | 0 | 0 | 111 | L166 Y201 H202 V203 I207 L208 I209 | L166-V205 HydrophobicContact CD1-CG2 4.07Å; L166-V205 HydrophobicContact CD2-CG2 4.46Å; L166-V205 HydrophobicContact CG-CG2 4.25Å; Y201-V205 HydrophobicContact CD1-CG2 4.05Å; Y201-V205 HydrophobicContact CD2-CG2 4.39Å; Y201-V205 HydrophobicContact CE1-CG2 3.51Å; Y201-V205 HydrophobicContact CE2-CG2 3.92Å; Y201-V205 HydrophobicContact CG-CG2 4.45Å; Y201-V205 VanDerWaalsContact CZ-CG2 3.45Å; Y201-V205 WeakPolarHBondContact O-CB 3.4Å; Y201-V205 WeakPolarHBondContact O-CG2 3.43Å; Y201-V205 PolarHBondContact O-N 3.26Å; H202-V205 PolarHBondContact O-N 2.84Å; V203-V205 VanDerWaalsContact C-N 3.33Å; V203-V205 PolarHBondContact O-N 2.92Å; V205-I207 VanDerWaalsContact C-N 3.32Å; V205-I207 PolarHBondContact O-N 3.04Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-I209 HydrophobicContact CG1-CD1 3.75Å; V205-I209 HydrophobicContact CG1-CG1 4.23Å; V205-I209 VanDerWaalsContact O-CB 3.27Å; V205-I209 WeakPolarHBondContact O-CB 3.35Å; V205-I209 WeakPolarHBondContact O-CG1 3.5Å; V205-I209 PolarHBondContact O-N 3.21Å |
| 206 | A | 91.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | H202 V203 Y210 F211 L274 | H202-A206 WeakPolarHBondContact O-CB 3.23Å; H202-A206 PolarHBondContact O-N 2.89Å; V203-A206 PolarHBondContact O-N 3.29Å; A206-Y210 WeakPolarHBondContact O-CA 3.4Å; A206-Y210 VanDerWaalsContact O-CB 3.26Å; A206-Y210 WeakPolarHBondContact O-CB 3.14Å; A206-Y210 PolarHBondContact O-N 3.31Å; A206-Y210 VanDerWaalsContact O-N 3.12Å; A206-F211 HydrophobicContact CB-CD2 4.44Å; A206-F211 HydrophobicContact CB-CE2 4.22Å; A206-F211 WeakPolarHBondContact O-CD2 3.18Å; A206-F211 PolarHBondContact O-N 2.74Å; A206-F211 VanDerWaalsContact O-N 3.13Å; A206-L274 HydrophobicContact CB-CD1 4.47Å; A206-L274 HydrophobicContact CB-CD2 4.47Å |
| 207 | I | 94.3 | Very high | 91.6 | Very high | 82 Ų | 82 | 48 Ų | 48 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -64.8 | -51.4 | 176.9 | -68.3 | 167.6 | 0 | 0 | 0 | 110.7 | V203 C204 V205 F211 L212 | V203-I207 HydrophobicContact CG1-CD1 3.84Å; V203-I207 WeakPolarHBondContact O-CG1 3.43Å; V203-I207 PolarHBondContact O-N 3.07Å; C204-I207 PolarHBondContact O-N 3.3Å; V205-I207 VanDerWaalsContact C-N 3.32Å; V205-I207 PolarHBondContact O-N 3.04Å; I207-F211 PolarHBondContact O-N 3.46Å; I207-L212 WeakPolarHBondContact O-CB 3.08Å; I207-L212 PolarHBondContact O-N 2.9Å |
| 208 | L | 94.7 | Very high | 91.9 | Very high | 58 Ų | 58 | 45.5 Ų | 45.5 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -74.6 | -37.9 | -172.5 | -68.1 | 173.6 | 0 | 0 | 0 | 113.3 | F122 Y126 L166 C204 V205 L212 P213 | F122-L208 HydrophobicContact CE2-CB 4.48Å; Y126-L208 VanDerWaalsContact CE2-O 3.3Å; Y126-L208 WeakPolarHBondContact CE2-O 3.4Å; Y126-L208 PolarHBondContact OH-O 3.31Å; L166-L208 HydrophobicContact CD1-CD1 3.87Å; L166-L208 HydrophobicContact CD2-CB 4.28Å; L166-L208 HydrophobicContact CD2-CD1 4.3Å; C204-L208 WeakPolarHBondContact O-CB 3.19Å; C204-L208 WeakPolarHBondContact O-CG 3.49Å; C204-L208 PolarHBondContact O-N 3.46Å; V205-L208 PolarHBondContact O-N 3.15Å; L208-L212 HydrophobicContact CD2-CD2 4Å; L208-P213 WeakPolarHBondContact O-CD 3.49Å |
| 209 | I | 93.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -87.9 | -24.4 | -175.9 | -59.7 | -169.3 | 0 | 0 | 0 | 112 | I118 V121 F122 I125 L166 V205 P213 | I118-I209 HydrophobicContact CG2-CD1 3.79Å; V121-I209 HydrophobicContact CB-CG2 4.2Å; V121-I209 HydrophobicContact CG1-CG2 3.41Å; V121-I209 VanDerWaalsContact CG1-CG2 3.41Å; F122-I209 HydrophobicContact CB-CD1 4.28Å; F122-I209 HydrophobicContact CB-CG1 4.4Å; F122-I209 HydrophobicContact CD2-CD1 4.5Å; F122-I209 HydrophobicContact CD2-CG1 3.98Å; I125-I209 HydrophobicContact CG2-CG2 4.44Å; L166-I209 HydrophobicContact CD2-CD1 3.86Å; L166-I209 HydrophobicContact CD2-CG1 3.82Å; V205-I209 HydrophobicContact CG1-CD1 3.75Å; V205-I209 HydrophobicContact CG1-CG1 4.23Å; V205-I209 VanDerWaalsContact O-CB 3.27Å; V205-I209 WeakPolarHBondContact O-CB 3.35Å; V205-I209 WeakPolarHBondContact O-CG1 3.5Å; V205-I209 PolarHBondContact O-N 3.21Å; I209-P213 WeakPolarHBondContact O-CG 3.37Å |
| 210 | Y | 93.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -122.5 | -68 | -173.1 | -172.9 | -100.2 | 0 | 0 | 0 | 113.3 | A206 P213 L214 F262 A263 W266 L267 H270 | A206-Y210 WeakPolarHBondContact O-CA 3.4Å; A206-Y210 VanDerWaalsContact O-CB 3.26Å; A206-Y210 WeakPolarHBondContact O-CB 3.14Å; A206-Y210 PolarHBondContact O-N 3.31Å; A206-Y210 VanDerWaalsContact O-N 3.12Å; Y210-P213 WeakPolarHBondContact O-CD 3.06Å; Y210-P213 WeakPolarHBondContact O-CG 3.31Å; Y210-L214 HydrophobicContact CD1-CD1 3.98Å; Y210-L214 HydrophobicContact CD2-CD1 3.76Å; Y210-L214 HydrophobicContact CE1-CD1 3.63Å; Y210-L214 HydrophobicContact CE2-CD1 3.41Å; Y210-L214 VanDerWaalsContact CE2-CD1 3.41Å; Y210-L214 HydrophobicContact CG-CD1 4.01Å; Y210-L214 VanDerWaalsContact O-CB 3.23Å; Y210-L214 WeakPolarHBondContact O-CB 3.1Å; Y210-L214 WeakPolarHBondContact O-CG 2.95Å; Y210-L214 PolarHBondContact O-N 3.3Å; Y210-L214 VanDerWaalsContact O-N 3.13Å; Y210-F262 HydrophobicContact CD2-CE1 4.21Å; Y210-A263 PolarHBondContact OH-O 2.91Å; Y210-W266 HydrophobicContact CD2-CB 3.83Å; Y210-W266 HydrophobicContact CE2-CB 3.8Å; Y210-L267 HydrophobicContact CE1-CD1 3.99Å; Y210-L267 WeakPolarHBondContact OH-CB 3.27Å; Y210-L267 WeakPolarHBondContact OH-CD1 3.38Å; Y210-H270 VanDerWaalsContact CB-CD2 3.5Å; Y210-H270 WeakPolarHBondContact CB-CD2 3.23Å; Y210-H270 WeakPolarHBondContact CB-NE2 3.48Å; Y210-H270 AromaticContact CD2-CD2 3.43Å; Y210-H270 VanDerWaalsContact CD2-CD2 3.43Å; Y210-H270 WeakPolarHBondContact CD2-CD2 3.42Å; Y210-H270 AromaticContact CD2-NE2 3.89Å; Y210-H270 AromaticContact CG-CD2 3.43Å; Y210-H270 VanDerWaalsContact CG-CD2 3.43Å; Y210-H270 AromaticContact CG-NE2 3.9Å |
| 211 | F | 94.3 | Very high | 92.5 | Very high | 98 Ų | 98 | 39.9 Ų | 39.9 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -67.6 | -47.6 | -168.6 | -66.7 | -73.5 | 0 | 0 | 0 | 113.8 | A206 I207 L214 L215 L274 | A206-F211 HydrophobicContact CB-CD2 4.44Å; A206-F211 HydrophobicContact CB-CE2 4.22Å; A206-F211 WeakPolarHBondContact O-CD2 3.18Å; A206-F211 PolarHBondContact O-N 2.74Å; A206-F211 VanDerWaalsContact O-N 3.13Å; I207-F211 PolarHBondContact O-N 3.46Å; F211-L214 PolarHBondContact O-N 2.63Å; F211-L215 WeakPolarHBondContact O-CB 3.33Å; F211-L215 PolarHBondContact O-N 3.28Å; F211-L274 HydrophobicContact CE2-CD1 4.42Å |
| 212 | L | 95.1 | Very high | 92.4 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 38% | 0.377 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -54.2 | -179.5 | 178.6 | 67.7 | 0 | 0 | 0 | 112.4 | I207 L208 L214 L215 V216 | I207-L212 WeakPolarHBondContact O-CB 3.08Å; I207-L212 PolarHBondContact O-N 2.9Å; L208-L212 HydrophobicContact CD2-CD2 4Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 3.43Å; L212-L215 PolarHBondContact O-N 3.11Å; L212-V216 HydrophobicContact CD1-CG2 4.47Å; L212-V216 WeakPolarHBondContact O-CG2 3.38Å; L212-V216 PolarHBondContact O-N 3.06Å |
| 213 | P | 94.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -34.7 | -180 | 23.9 | -33.3 | 0 | 0 | 0 | 112.3 | I125 T129 L208 I209 Y210 V216 M217 | I125-P213 HydrophobicContact CD1-CB 4.47Å; I125-P213 HydrophobicContact CG1-CB 3.65Å; I125-P213 HydrophobicContact CG1-CG 3.62Å; I125-P213 HydrophobicContact CG2-CG 4.22Å; T129-P213 WeakPolarHBondContact OG1-CB 3.35Å; L208-P213 WeakPolarHBondContact O-CD 3.49Å; I209-P213 WeakPolarHBondContact O-CG 3.37Å; Y210-P213 WeakPolarHBondContact O-CD 3.06Å; Y210-P213 WeakPolarHBondContact O-CG 3.31Å; P213-V216 PolarHBondContact O-N 3.48Å; P213-M217 WeakPolarHBondContact O-CB 3.46Å; P213-M217 WeakPolarHBondContact O-CE 3.32Å; P213-M217 VanDerWaalsContact O-CG 3.24Å; P213-M217 WeakPolarHBondContact O-CG 3.4Å; P213-M217 PolarHBondContact O-N 3.13Å |
| 214 | L | 93.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 173.8 | -77.8 | 177.2 | 0 | 0 | 0 | 112.4 | Y210 F211 L212 M217 G218 V259 F262 A263 | Y210-L214 HydrophobicContact CD1-CD1 3.98Å; Y210-L214 HydrophobicContact CD2-CD1 3.76Å; Y210-L214 HydrophobicContact CE1-CD1 3.63Å; Y210-L214 HydrophobicContact CE2-CD1 3.41Å; Y210-L214 VanDerWaalsContact CE2-CD1 3.41Å; Y210-L214 HydrophobicContact CG-CD1 4.01Å; Y210-L214 VanDerWaalsContact O-CB 3.23Å; Y210-L214 WeakPolarHBondContact O-CB 3.1Å; Y210-L214 WeakPolarHBondContact O-CG 2.95Å; Y210-L214 PolarHBondContact O-N 3.3Å; Y210-L214 VanDerWaalsContact O-N 3.13Å; F211-L214 PolarHBondContact O-N 2.63Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 3.43Å; L214-M217 HydrophobicContact CD2-CE 3.98Å; L214-G218 WeakPolarHBondContact O-CA 3.26Å; L214-G218 PolarHBondContact O-N 3.44Å; L214-V259 HydrophobicContact CD2-CG1 3.84Å; L214-F262 HydrophobicContact CD2-CD1 4.33Å; L214-A263 HydrophobicContact CD1-CB 4.04Å; L214-A263 HydrophobicContact CD2-CB 3.86Å |
| 215 | L | 94.5 | Very high | 91.9 | Very high | 112 Ų | 112 | 41 Ų | 41 | 59% | 0.586 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.1 | -50.2 | 175.3 | 179.5 | 67.4 | 0 | 0 | 0 | 110.8 | F211 L212 M217 G218 C219 | F211-L215 WeakPolarHBondContact O-CB 3.33Å; F211-L215 PolarHBondContact O-N 3.28Å; L212-L215 PolarHBondContact O-N 3.11Å; L215-M217 PolarHBondContact O-N 3.35Å; L215-G218 PolarHBondContact O-N 3.22Å; L215-C219 WeakPolarHBondContact O-CB 3.18Å; L215-C219 PolarHBondContact O-N 2.63Å; L215-C219 PolarHBondContact O-SG 3.42Å; L215-C219 VanDerWaalsContact O-SG 3.33Å |
| 216 | V | 94.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 32% | 0.315 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 179.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | T129 L133 L212 P213 A220 | T129-V216 HydrophobicContact CG2-CB 4.12Å; T129-V216 HydrophobicContact CG2-CG1 3.62Å; L133-V216 HydrophobicContact CD2-CG1 4.2Å; L212-V216 HydrophobicContact CD1-CG2 4.47Å; L212-V216 WeakPolarHBondContact O-CG2 3.38Å; L212-V216 PolarHBondContact O-N 3.06Å; P213-V216 PolarHBondContact O-N 3.48Å; V216-A220 WeakPolarHBondContact O-CB 3.35Å; V216-A220 PolarHBondContact O-N 3.31Å |
| 217 | M | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.3 | -72 | -171.1 | -63.5 | 0 | 0 | 112 | I125 M128 T129 A132 P213 L214 L215 A220 Y221 V259 | I125-M217 HydrophobicContact CD1-CE 3.44Å; I125-M217 VanDerWaalsContact CD1-CE 3.44Å; I125-M217 HydrophobicContact CD1-SD 4.46Å; I125-M217 HydrophobicContact CG1-CE 4.36Å; M128-M217 HydrophobicContact CB-SD 3.98Å; M128-M217 HydrophobicContact CE-SD 4.44Å; T129-M217 HydrophobicContact CG2-CG 4.21Å; A132-M217 HydrophobicContact CB-CG 3.92Å; P213-M217 WeakPolarHBondContact O-CB 3.46Å; P213-M217 WeakPolarHBondContact O-CE 3.32Å; P213-M217 VanDerWaalsContact O-CG 3.24Å; P213-M217 WeakPolarHBondContact O-CG 3.4Å; P213-M217 PolarHBondContact O-N 3.13Å; L214-M217 HydrophobicContact CD2-CE 3.98Å; L215-M217 PolarHBondContact O-N 3.35Å; M217-A220 PolarHBondContact O-N 3.06Å; M217-Y221 HydrophobicContact CB-CD2 4.24Å; M217-Y221 HydrophobicContact CB-CE2 4Å; M217-Y221 HydrophobicContact CG-CE2 4.45Å; M217-Y221 WeakPolarHBondContact O-CD2 3.45Å; M217-Y221 PolarHBondContact O-N 3.48Å; M217-V259 HydrophobicContact CB-CG1 4.46Å; M217-V259 HydrophobicContact CB-CG2 4.31Å; M217-V259 HydrophobicContact CE-CG1 4.11Å; M217-V259 HydrophobicContact CE-CG2 3.99Å; M217-V259 HydrophobicContact SD-CG2 3.56Å; M217-V259 VanDerWaalsContact SD-CG2 3.56Å |
| 218 | G | 91.1 | Very high | 90.7 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59 | -48.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L214 L215 Y221 L222 | L214-G218 WeakPolarHBondContact O-CA 3.26Å; L214-G218 PolarHBondContact O-N 3.44Å; L215-G218 PolarHBondContact O-N 3.22Å; G218-Y221 PolarHBondContact O-N 3.09Å; G218-L222 VanDerWaalsContact O-CB 3.22Å; G218-L222 WeakPolarHBondContact O-CB 3.45Å; G218-L222 PolarHBondContact O-N 2.91Å |
| 219 | C | 92 | Very high | 90.1 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 46% | 0.459 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 174.9 | -68 | 0 | 0 | 0 | 0 | 111.8 | L215 Y221 L222 V223 | L215-C219 WeakPolarHBondContact O-CB 3.18Å; L215-C219 PolarHBondContact O-N 2.63Å; L215-C219 PolarHBondContact O-SG 3.42Å; L215-C219 VanDerWaalsContact O-SG 3.33Å; C219-Y221 PolarHBondContact O-N 3.31Å; C219-L222 PolarHBondContact O-N 3.03Å; C219-V223 WeakPolarHBondContact O-CG2 3.33Å; C219-V223 PolarHBondContact O-N 2.98Å |
| 220 | A | 91 | Very high | 89.2 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V216 M217 V224 | V216-A220 WeakPolarHBondContact O-CB 3.35Å; V216-A220 PolarHBondContact O-N 3.31Å; M217-A220 PolarHBondContact O-N 3.06Å; A220-V224 WeakPolarHBondContact O-CB 3.33Å; A220-V224 VanDerWaalsContact O-CG2 3.24Å; A220-V224 WeakPolarHBondContact O-CG2 3.27Å; A220-V224 PolarHBondContact O-N 3.19Å |
| 221 | Y | 87.5 | Confident | 88 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 7% | 0.071 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.4 | -30.6 | 179.7 | -66.8 | -52.9 | 0 | 0 | 0 | 113.4 | A132 M217 G218 C219 V224 G225 M255 I256 V259 | A132-Y221 VanDerWaalsContact CA-OH 3.28Å; A132-Y221 WeakPolarHBondContact CA-OH 3.5Å; A132-Y221 HydrophobicContact CB-CE1 4.12Å; A132-Y221 HydrophobicContact CB-CE2 3.78Å; A132-Y221 VanDerWaalsContact CB-CZ 3.43Å; A132-Y221 WeakPolarHBondContact CB-OH 3.39Å; M217-Y221 HydrophobicContact CB-CD2 4.24Å; M217-Y221 HydrophobicContact CB-CE2 4Å; M217-Y221 HydrophobicContact CG-CE2 4.45Å; M217-Y221 WeakPolarHBondContact O-CD2 3.45Å; M217-Y221 PolarHBondContact O-N 3.48Å; G218-Y221 PolarHBondContact O-N 3.09Å; C219-Y221 PolarHBondContact O-N 3.31Å; Y221-V224 PolarHBondContact O-N 3.31Å; Y221-G225 PolarHBondContact O-N 3.48Å; Y221-M255 HydrophobicContact CE1-CB 3.64Å; Y221-M255 HydrophobicContact CE1-CE 3.73Å; Y221-M255 HydrophobicContact CE1-SD 4.18Å; Y221-M255 WeakPolarHBondContact OH-CB 3.32Å; Y221-M255 WeakPolarHBondContact OH-CE 3.15Å; Y221-I256 HydrophobicContact CG-CG1 4.32Å; Y221-V259 HydrophobicContact CD2-CG2 4.28Å; Y221-V259 HydrophobicContact CE2-CG2 3.58Å |
| 222 | L | 88.9 | Confident | 86.4 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 58% | 0.576 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.7 | -50.1 | 172.8 | -179.6 | 63.3 | 0 | 0 | 0 | 110.3 | G218 C219 V224 G225 L226 | G218-L222 VanDerWaalsContact O-CB 3.22Å; G218-L222 WeakPolarHBondContact O-CB 3.45Å; G218-L222 PolarHBondContact O-N 2.91Å; C219-L222 PolarHBondContact O-N 3.03Å; L222-V224 VanDerWaalsContact C-N 3.34Å; L222-V224 PolarHBondContact O-N 3.42Å; L222-G225 PolarHBondContact O-N 2.9Å; L222-L226 HydrophobicContact CD1-CD1 4.2Å; L222-L226 HydrophobicContact CD1-CG 4.24Å; L222-L226 HydrophobicContact CG-CD1 4.12Å; L222-L226 WeakPolarHBondContact O-CB 3.41Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.46Å; L222-L226 PolarHBondContact O-N 3.01Å |
| 223 | V | 89.6 | Confident | 84.7 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 33% | 0.327 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 178.5 | 177 | 0 | 0 | 0 | 0 | 111.3 | Y136 I140 C219 N227 | Y136-V223 HydrophobicContact CD2-CB 4.48Å; Y136-V223 HydrophobicContact CD2-CG1 4.46Å; Y136-V223 HydrophobicContact CE2-CB 4.02Å; Y136-V223 HydrophobicContact CE2-CG1 3.72Å; I140-V223 HydrophobicContact CD1-CG1 4.17Å; I140-V223 HydrophobicContact CG1-CG1 4.4Å; C219-V223 WeakPolarHBondContact O-CG2 3.33Å; C219-V223 PolarHBondContact O-N 2.98Å; V223-N227 WeakPolarHBondContact O-CB 3.22Å; V223-N227 PolarHBondContact O-N 3.22Å; V223-N227 PolarHBondContact O-ND2 3.42Å |
| 224 | V | 86.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | Y136 I139 A220 Y221 L222 L228 V252 | Y136-V224 HydrophobicContact CD2-CG2 4.06Å; I139-V224 HydrophobicContact CD1-CG1 3.5Å; I139-V224 HydrophobicContact CD1-CG2 4.42Å; I139-V224 HydrophobicContact CG2-CG1 4.43Å; A220-V224 WeakPolarHBondContact O-CB 3.33Å; A220-V224 VanDerWaalsContact O-CG2 3.24Å; A220-V224 WeakPolarHBondContact O-CG2 3.27Å; A220-V224 PolarHBondContact O-N 3.19Å; Y221-V224 PolarHBondContact O-N 3.31Å; L222-V224 VanDerWaalsContact C-N 3.34Å; L222-V224 PolarHBondContact O-N 3.42Å; V224-L228 HydrophobicContact CG1-CD1 3.78Å; V224-L228 HydrophobicContact CG1-CG 4.44Å; V224-L228 WeakPolarHBondContact O-CB 3.34Å; V224-L228 WeakPolarHBondContact O-CG 3.45Å; V224-L228 PolarHBondContact O-N 2.97Å; V224-V252 HydrophobicContact CG1-CB 4.39Å; V224-V252 HydrophobicContact CG1-CG1 3.98Å; V224-V252 HydrophobicContact CG1-CG2 3.49Å; V224-V252 VanDerWaalsContact CG1-CG2 3.49Å |
| 225 | G | 85.3 | Confident | 80.9 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 22% | 0.216 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y221 L222 N227 L228 W229 | Y221-G225 PolarHBondContact O-N 3.48Å; L222-G225 PolarHBondContact O-N 2.9Å; G225-N227 PolarHBondContact O-N 3.3Å; G225-L228 PolarHBondContact O-N 3.39Å; G225-W229 WeakPolarHBondContact O-CB 3.19Å; G225-W229 PolarHBondContact O-N 3.24Å |
| 226 | L | 86.5 | Confident | 79 | Confident | 110 Ų | 110 | 67.9 Ų | 67.9 | 58% | 0.576 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.8 | -45.9 | 176.7 | -69.1 | 175.2 | 0 | 0 | 0 | 111.4 | L222 W229 A230 | L222-L226 HydrophobicContact CD1-CD1 4.2Å; L222-L226 HydrophobicContact CD1-CG 4.24Å; L222-L226 HydrophobicContact CG-CD1 4.12Å; L222-L226 WeakPolarHBondContact O-CB 3.41Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.46Å; L222-L226 PolarHBondContact O-N 3.01Å; L226-W229 PolarHBondContact O-N 3.42Å; L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 3.21Å |
| 227 | N | 84.4 | Confident | 77.4 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 39% | 0.385 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178.3 | -81.5 | -69.5 | 0 | 0 | 0 | 112.8 | I140 V223 G225 W229 S231 | I140-N227 HydrophobicContact CD1-CB 3.81Å; I140-N227 WeakPolarHBondContact CD1-ND2 3.45Å; V223-N227 WeakPolarHBondContact O-CB 3.22Å; V223-N227 PolarHBondContact O-N 3.22Å; V223-N227 PolarHBondContact O-ND2 3.42Å; G225-N227 PolarHBondContact O-N 3.3Å; N227-W229 PolarHBondContact O-N 3.49Å; N227-S231 VanDerWaalsContact O-CB 3.27Å; N227-S231 WeakPolarHBondContact O-CB 3.33Å; N227-S231 PolarHBondContact O-N 2.75Å; N227-S231 PolarHBondContact O-OG 2.85Å |
| 228 | L | 82.3 | Confident | 76.5 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -72.3 | -25.7 | -179.1 | -76.5 | 173.2 | 0 | 0 | 0 | 114.1 | I139 V224 G225 L245 K248 R249 V252 | I139-L228 HydrophobicContact CD1-CD1 4.3Å; I139-L228 HydrophobicContact CG2-CD2 4.26Å; I139-L228 HydrophobicContact CG2-CG 4.26Å; V224-L228 HydrophobicContact CG1-CD1 3.78Å; V224-L228 HydrophobicContact CG1-CG 4.44Å; V224-L228 WeakPolarHBondContact O-CB 3.34Å; V224-L228 WeakPolarHBondContact O-CG 3.45Å; V224-L228 PolarHBondContact O-N 2.97Å; G225-L228 PolarHBondContact O-N 3.39Å; L228-L245 HydrophobicContact CD2-CD2 4.24Å; L228-K248 HydrophobicContact CD2-CB 4.05Å; L228-K248 HydrophobicContact CD2-CD 4.28Å; L228-R249 HydrophobicContact CB-CG 4.45Å; L228-R249 PolarHBondContact O-NE 2.83Å; L228-R249 PolarHBondContact O-NH2 3.12Å; L228-V252 HydrophobicContact CD1-CB 4.28Å; L228-V252 HydrophobicContact CD1-CG2 3.68Å |
| 229 | W | 81 | Confident | 75.7 | Confident | 195 Ų | 195 | 76 Ų | 76 | 74% | 0.739 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -90 | -32.8 | 174.9 | -80.3 | 10.8 | 0 | 0 | 0 | 112.4 | G225 L226 N227 S231 | G225-W229 WeakPolarHBondContact O-CB 3.19Å; G225-W229 PolarHBondContact O-N 3.24Å; L226-W229 PolarHBondContact O-N 3.42Å; N227-W229 PolarHBondContact O-N 3.49Å; W229-S231 VanDerWaalsContact C-N 3.34Å |
| 230 | A | 76 | Confident | 74.7 | Confident | 81 Ų | 81 | 77.7 Ų | 77.7 | 67% | 0.669 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71.7 | -27.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L226 E232 | L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 3.21Å; A230-E232 PolarHBondContact O-N 3.45Å |
| 231 | S | 67.8 | Low | 74.1 | Confident | 41 Ų | 41 | 80.9 Ų | 80.9 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 12.9 | 178.4 | -61 | 0 | 0 | 0 | 0 | 114.6 | N227 W229 I233 Y241 | N227-S231 VanDerWaalsContact O-CB 3.27Å; N227-S231 WeakPolarHBondContact O-CB 3.33Å; N227-S231 PolarHBondContact O-N 2.75Å; N227-S231 PolarHBondContact O-OG 2.85Å; W229-S231 VanDerWaalsContact C-N 3.34Å; S231-I233 PolarHBondContact O-N 3.13Å; S231-Y241 PolarHBondContact O-OH 3.48Å |
| 232 | E | 60.6 | Low | 73.6 | Confident | 131 Ų | 131 | 85.4 Ų | 85.4 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | trans | -77.7 | 71.2 | 172.7 | -155.8 | 146.9 | 168.9 | 0 | 0 | 109.1 | A230 P234 R249 | A230-E232 PolarHBondContact O-N 3.45Å; E232-P234 WeakPolarHBondContact O-CD 3.01Å; E232-R249 IonicContact OE2-CZ 3.4Å; E232-R249 IonicContact OE2-NH1 3.23Å; E232-R249 PolarHBondContact OE2-NH1 3.25Å; E232-R249 IonicContact OE2-NH2 2.69Å; E232-R249 PolarHBondContact OE2-NH2 2.99Å | ||
| 233 | I | 59 | Low | 73 | Confident | 120 Ų | 120 | 86.5 Ų | 86.5 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | trans | -72.6 | 120.8 | 178.2 | -57.5 | 169 | 0 | 0 | 0 | 108.1 | S231 G235 | S231-I233 PolarHBondContact O-N 3.13Å; I233-G235 PolarHBondContact O-N 2.91Å; I233-G235 VanDerWaalsContact O-N 3.1Å | ||
| 234 | P | 49.3 | Very low | 72.4 | Confident | 130 Ų | 130 | 87.7 Ų | 87.7 | 84% | 0.844 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 98.9 | 174.4 | 27.5 | -24.8 | 0 | 0 | 0 | 108.6 | E232 | E232-P234 WeakPolarHBondContact O-CD 3.01Š|
| 235 | G | 58.8 | Low | 72 | Confident | 74 Ų | 74 | 88.7 Ų | 88.7 | 76% | 0.763 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154.6 | -21.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | I233 S237 | I233-G235 PolarHBondContact O-N 2.91Å; I233-G235 VanDerWaalsContact O-N 3.1Å; G235-S237 PolarHBondContact O-N 3.3Å |
| 236 | D | 54.9 | Low | 71.6 | Confident | 93 Ų | 93 | 91.7 Ų | 91.7 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | trans | -92.9 | 102.5 | 178 | -166 | 3.2 | 0 | 0 | 0 | 110.5 | S238 | D236-S238 VanDerWaalsContact C-N 3.25Å; D236-S238 PolarHBondContact O-N 2.78Å; D236-S238 PolarHBondContact OD1-N 3.24Å | ||
| 237 | S | 61.4 | Low | 71 | Confident | 94 Ų | 94 | 89 Ų | 89 | 66% | 0.657 | 49% | 0.491 | S | S | * | . | trans | -83.9 | 11 | -174.1 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | G235 D239 | G235-S237 PolarHBondContact O-N 3.3Å; S237-D239 PolarHBondContact O-N 3.47Å | ||
| 238 | S | 72.7 | Confident | 70.7 | Confident | 48 Ų | 48 | 89.5 Ų | 89.5 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | trans | -67.8 | 107.3 | 177.1 | 76 | 0 | 0 | 0 | 0 | 110.6 | D236 R240 Y241 K242 | D236-S238 VanDerWaalsContact C-N 3.25Å; D236-S238 PolarHBondContact O-N 2.78Å; D236-S238 PolarHBondContact OD1-N 3.24Å; S238-R240 PolarHBondContact O-N 3.49Å; S238-Y241 WeakPolarHBondContact O-CB 3.38Å; S238-Y241 PolarHBondContact O-N 2.81Å; S238-Y241 WeakPolarHBondContact OG-CB 3.49Å; S238-K242 PolarHBondContact O-N 2.85Å | ||
| 239 | D | 73.8 | Confident | 70.8 | Confident | 120 Ų | 120 | 92.4 Ų | 92.4 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -52.1 | -31.4 | 177.5 | -72.1 | -34.3 | 0 | 0 | 0 | 111.8 | S237 Y241 K242 E243 | S237-D239 PolarHBondContact O-N 3.47Å; D239-Y241 PolarHBondContact O-N 3.02Å; D239-K242 PolarHBondContact O-N 3.46Å; D239-E243 WeakPolarHBondContact O-CG 3.4Å; D239-E243 PolarHBondContact O-N 2.9Å |
| 240 | R | 72.1 | Confident | 70.7 | Confident | 102 Ų | 102 | 87.3 Ų | 87.3 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 176.5 | -163.9 | 174.9 | 176.6 | -172.8 | -2.7 | 113.7 | S238 Q244 T349 V353 | S238-R240 PolarHBondContact O-N 3.49Å; R240-Q244 WeakPolarHBondContact O-CG 3.18Å; R240-Q244 PolarHBondContact O-N 3.47Å; R240-Q244 VanDerWaalsContact O-N 3.15Å; R240-T349 VanDerWaalsContact NH2-CG2 3.34Å; R240-T349 PolarHBondContact NH2-O 3.42Å; R240-V353 VanDerWaalsContact NH1-CG2 3.27Å |
| 241 | Y | 77.1 | Confident | 70.8 | Confident | 76 Ų | 76 | 86.2 Ų | 86.2 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.3 | -42.8 | 174.8 | 176.5 | -110 | 0 | 0 | 0 | 110.9 | S231 S238 D239 E243 Q244 L245 | S231-Y241 PolarHBondContact O-OH 3.48Å; S238-Y241 WeakPolarHBondContact O-CB 3.38Å; S238-Y241 PolarHBondContact O-N 2.81Å; S238-Y241 WeakPolarHBondContact OG-CB 3.49Å; D239-Y241 PolarHBondContact O-N 3.02Å; Y241-E243 PolarHBondContact O-N 3.32Å; Y241-Q244 PolarHBondContact O-N 3.01Å; Y241-L245 HydrophobicContact CD1-CD1 3.81Å; Y241-L245 HydrophobicContact CD1-CG 4.41Å; Y241-L245 HydrophobicContact CE1-CD1 3.27Å; Y241-L245 HydrophobicContact CE1-CG 4.05Å; Y241-L245 HydrophobicContact CE2-CD1 4.26Å; Y241-L245 HydrophobicContact CE2-CD2 4.39Å; Y241-L245 HydrophobicContact CE2-CG 4.18Å; Y241-L245 HydrophobicContact CG-CD1 4.5Å; Y241-L245 WeakPolarHBondContact O-CG 3.34Å; Y241-L245 PolarHBondContact O-N 2.92Å |
| 242 | K | 76.4 | Confident | 71.3 | Confident | 113 Ų | 113 | 84.6 Ų | 84.6 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.7 | -66.1 | -179.7 | -178.7 | 172.3 | 0 | 112.1 | S238 D239 Q244 L245 T246 | S238-K242 PolarHBondContact O-N 2.85Å; D239-K242 PolarHBondContact O-N 3.46Å; K242-Q244 PolarHBondContact O-N 3.25Å; K242-L245 PolarHBondContact O-N 3.43Å; K242-T246 WeakPolarHBondContact O-CG2 3.47Å; K242-T246 PolarHBondContact O-N 2.9Å; K242-T246 PolarHBondContact O-OG1 2.79Å |
| 243 | E | 77.1 | Confident | 72.4 | Confident | 133 Ų | 133 | 85.1 Ų | 85.1 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 173.6 | -79 | -174.8 | 173.7 | 0 | 0 | 112.6 | D239 Y241 T246 A247 | D239-E243 WeakPolarHBondContact O-CG 3.4Å; D239-E243 PolarHBondContact O-N 2.9Å; Y241-E243 PolarHBondContact O-N 3.32Å; E243-T246 WeakPolarHBondContact CA-OG1 3.33Å; E243-T246 PolarHBondContact O-OG1 2.83Å; E243-A247 WeakPolarHBondContact O-CB 3.48Å; E243-A247 PolarHBondContact O-N 3.34Å; E243-A247 VanDerWaalsContact O-N 3.09Å |
| 244 | Q | 76.9 | Confident | 73.5 | Confident | 79 Ų | 79 | 80.3 Ų | 80.3 | 37% | 0.369 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.9 | -73.5 | -175.5 | 13.8 | 0 | 0 | 112.4 | R240 Y241 K242 A247 K248 | R240-Q244 WeakPolarHBondContact O-CG 3.18Å; R240-Q244 PolarHBondContact O-N 3.47Å; R240-Q244 VanDerWaalsContact O-N 3.15Å; Y241-Q244 PolarHBondContact O-N 3.01Å; K242-Q244 PolarHBondContact O-N 3.25Å; Q244-A247 PolarHBondContact O-N 3.44Å; Q244-K248 WeakPolarHBondContact O-CG 3.22Å; Q244-K248 PolarHBondContact O-N 3.35Å |
| 245 | L | 77.9 | Confident | 75.1 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.4 | -76.7 | 179.1 | 0 | 0 | 0 | 112.1 | L228 Y241 K242 A247 K248 R249 | L228-L245 HydrophobicContact CD2-CD2 4.24Å; Y241-L245 HydrophobicContact CD1-CD1 3.81Å; Y241-L245 HydrophobicContact CD1-CG 4.41Å; Y241-L245 HydrophobicContact CE1-CD1 3.27Å; Y241-L245 HydrophobicContact CE1-CG 4.05Å; Y241-L245 HydrophobicContact CE2-CD1 4.26Å; Y241-L245 HydrophobicContact CE2-CD2 4.39Å; Y241-L245 HydrophobicContact CE2-CG 4.18Å; Y241-L245 HydrophobicContact CG-CD1 4.5Å; Y241-L245 WeakPolarHBondContact O-CG 3.34Å; Y241-L245 PolarHBondContact O-N 2.92Å; K242-L245 PolarHBondContact O-N 3.43Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.33Å; L245-K248 PolarHBondContact O-N 2.89Å; L245-R249 WeakPolarHBondContact O-CG 3.39Å; L245-R249 PolarHBondContact O-N 3.06Å |
| 246 | T | 78 | Confident | 76.4 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 178.1 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | K242 E243 R249 K250 | K242-T246 WeakPolarHBondContact O-CG2 3.47Å; K242-T246 PolarHBondContact O-N 2.9Å; K242-T246 PolarHBondContact O-OG1 2.79Å; E243-T246 WeakPolarHBondContact CA-OG1 3.33Å; E243-T246 PolarHBondContact O-OG1 2.83Å; T246-R249 PolarHBondContact O-N 3.26Å; T246-K250 PolarHBondContact O-N 3.45Å |
| 247 | A | 74.7 | Confident | 78 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | E243 Q244 L245 K250 V251 | E243-A247 WeakPolarHBondContact O-CB 3.48Å; E243-A247 PolarHBondContact O-N 3.34Å; E243-A247 VanDerWaalsContact O-N 3.09Å; Q244-A247 PolarHBondContact O-N 3.44Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.33Å; A247-K250 PolarHBondContact O-N 3.25Å; A247-V251 PolarHBondContact O-N 3.02Å |
| 248 | K | 77.6 | Confident | 79.1 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.4 | -73.2 | -179.5 | -178.7 | -175.3 | 0 | 111.7 | L228 Q244 L245 K250 V251 V252 | L228-K248 HydrophobicContact CD2-CB 4.05Å; L228-K248 HydrophobicContact CD2-CD 4.28Å; Q244-K248 WeakPolarHBondContact O-CG 3.22Å; Q244-K248 PolarHBondContact O-N 3.35Å; L245-K248 PolarHBondContact O-N 2.89Å; K248-K250 VanDerWaalsContact C-N 3.3Å; K248-K250 PolarHBondContact O-N 3.42Å; K248-V251 PolarHBondContact O-N 3.39Å; K248-V252 WeakPolarHBondContact O-CG2 3.47Å; K248-V252 PolarHBondContact O-N 3.42Å |
| 249 | R | 82.9 | Confident | 79.7 | Confident | 69 Ų | 69 | 67 Ų | 67 | 26% | 0.26 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58 | -40.3 | 176.1 | -73.8 | 179 | -177.1 | -178.8 | -0.6 | 111.5 | L228 E232 L245 T246 V252 K253 | L228-R249 HydrophobicContact CB-CG 4.45Å; L228-R249 PolarHBondContact O-NE 2.83Å; L228-R249 PolarHBondContact O-NH2 3.12Å; E232-R249 IonicContact OE2-CZ 3.4Å; E232-R249 IonicContact OE2-NH1 3.23Å; E232-R249 PolarHBondContact OE2-NH1 3.25Å; E232-R249 IonicContact OE2-NH2 2.69Å; E232-R249 PolarHBondContact OE2-NH2 2.99Å; L245-R249 WeakPolarHBondContact O-CG 3.39Å; L245-R249 PolarHBondContact O-N 3.06Å; T246-R249 PolarHBondContact O-N 3.26Å; R249-V252 PolarHBondContact O-N 3.18Å; R249-K253 WeakPolarHBondContact O-CB 3.38Å; R249-K253 PolarHBondContact O-N 2.9Å |
| 250 | K | 80.7 | Confident | 80.5 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.8 | -175.6 | 174.3 | 176.8 | 175.8 | 0 | 112.5 | T246 A247 K248 M254 L313 D315 | T246-K250 PolarHBondContact O-N 3.45Å; A247-K250 PolarHBondContact O-N 3.25Å; K248-K250 VanDerWaalsContact C-N 3.3Å; K248-K250 PolarHBondContact O-N 3.42Å; K250-M254 PolarHBondContact O-N 3.45Å; K250-L313 WeakPolarHBondContact CE-O 3.41Å; K250-D315 IonicContact NZ-OD1 2.81Å; K250-D315 PolarHBondContact NZ-OD1 3.11Å; K250-D315 IonicContact NZ-OD2 3.3Å; K250-D315 PolarHBondContact NZ-OD2 3.11Å |
| 251 | V | 77.3 | Confident | 81.4 | Confident | 58 Ų | 58 | 61.1 Ų | 61.1 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 177.7 | 176 | 0 | 0 | 0 | 0 | 111.1 | A247 K248 M254 M255 | A247-V251 PolarHBondContact O-N 3.02Å; K248-V251 PolarHBondContact O-N 3.39Å; V251-M254 WeakPolarHBondContact O-CB 3.42Å; V251-M254 PolarHBondContact O-N 2.85Å; V251-M255 HydrophobicContact CG1-SD 3.92Å; V251-M255 VanDerWaalsContact O-CG 3.28Å; V251-M255 WeakPolarHBondContact O-CG 3.29Å; V251-M255 PolarHBondContact O-N 3.21Å; V251-M255 VanDerWaalsContact O-N 3.09Å |
| 252 | V | 79.3 | Confident | 82 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | I139 V224 L228 K248 R249 M254 M255 I256 | I139-V252 HydrophobicContact CD1-CG2 3.81Å; V224-V252 HydrophobicContact CG1-CB 4.39Å; V224-V252 HydrophobicContact CG1-CG1 3.98Å; V224-V252 HydrophobicContact CG1-CG2 3.49Å; V224-V252 VanDerWaalsContact CG1-CG2 3.49Å; L228-V252 HydrophobicContact CD1-CB 4.28Å; L228-V252 HydrophobicContact CD1-CG2 3.68Å; K248-V252 WeakPolarHBondContact O-CG2 3.47Å; K248-V252 PolarHBondContact O-N 3.42Å; R249-V252 PolarHBondContact O-N 3.18Å; V252-M254 VanDerWaalsContact C-N 3.28Å; V252-M254 PolarHBondContact O-N 3.34Å; V252-M255 PolarHBondContact O-N 3.13Å; V252-I256 HydrophobicContact CG1-CD1 3.87Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CG1 3.34Å; V252-I256 PolarHBondContact O-N 3.09Å |
| 253 | K | 83.3 | Confident | 82.7 | Confident | 142 Ų | 142 | 53.8 Ų | 53.8 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.4 | -43.9 | 174.2 | -177.2 | 177.4 | 179.6 | 176.4 | 0 | 111.4 | R249 M255 I256 V257 | R249-K253 WeakPolarHBondContact O-CB 3.38Å; R249-K253 PolarHBondContact O-N 2.9Å; K253-M255 VanDerWaalsContact C-N 3.3Å; K253-M255 PolarHBondContact O-N 3.12Å; K253-I256 PolarHBondContact O-N 3.44Å; K253-V257 VanDerWaalsContact O-CG2 3.31Å; K253-V257 WeakPolarHBondContact O-CG2 3.28Å; K253-V257 PolarHBondContact O-N 3.08Å |
| 254 | M | 82.5 | Confident | 83.5 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 174.9 | 170.8 | -179.6 | 150.1 | 0 | 0 | 111.6 | K250 V251 V252 V257 V258 I309 Y310 L313 N314 | K250-M254 PolarHBondContact O-N 3.45Å; V251-M254 WeakPolarHBondContact O-CB 3.42Å; V251-M254 PolarHBondContact O-N 2.85Å; V252-M254 VanDerWaalsContact C-N 3.28Å; V252-M254 PolarHBondContact O-N 3.34Å; M254-V257 PolarHBondContact O-N 2.96Å; M254-V258 WeakPolarHBondContact O-CG2 3.39Å; M254-V258 PolarHBondContact O-N 3.28Å; M254-V258 VanDerWaalsContact O-N 3.11Å; M254-I309 HydrophobicContact CG-CG2 4.18Å; M254-Y310 HydrophobicContact CE-CD1 3.25Å; M254-Y310 HydrophobicContact CE-CE1 3.62Å; M254-Y310 HydrophobicContact CE-CG 4.31Å; M254-L313 HydrophobicContact CB-CB 3.82Å; M254-L313 HydrophobicContact CB-CD1 3.8Å; M254-L313 HydrophobicContact CB-CG 4.45Å; M254-L313 HydrophobicContact CG-CB 3.8Å; M254-L313 HydrophobicContact CG-CD1 3.97Å; M254-L313 HydrophobicContact SD-CB 4.02Å; M254-N314 HydrophobicContact SD-CB 4.04Å |
| 255 | M | 81.1 | Confident | 84.2 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.3 | -36.6 | -176.6 | -65 | 169.6 | 76.9 | 0 | 0 | 113.1 | I131 R135 Y221 V251 V252 K253 V257 V258 V259 | I131-M255 HydrophobicContact CB-CE 4.33Å; I131-M255 HydrophobicContact CG2-CE 3.33Å; I131-M255 HydrophobicContact CG2-SD 4.5Å; I131-M255 VanDerWaalsContact O-CE 3.29Å; I131-M255 WeakPolarHBondContact O-CE 3.31Å; R135-M255 HydrophobicContact CB-CE 3.85Å; R135-M255 HydrophobicContact CB-SD 4.08Å; R135-M255 HydrophobicContact CG-CE 3.49Å; R135-M255 VanDerWaalsContact CG-CE 3.49Å; R135-M255 HydrophobicContact CG-SD 3.54Å; R135-M255 VanDerWaalsContact CG-SD 3.54Å; Y221-M255 HydrophobicContact CE1-CB 3.64Å; Y221-M255 HydrophobicContact CE1-CE 3.73Å; Y221-M255 HydrophobicContact CE1-SD 4.18Å; Y221-M255 WeakPolarHBondContact OH-CB 3.32Å; Y221-M255 WeakPolarHBondContact OH-CE 3.15Å; V251-M255 HydrophobicContact CG1-SD 3.92Å; V251-M255 VanDerWaalsContact O-CG 3.28Å; V251-M255 WeakPolarHBondContact O-CG 3.29Å; V251-M255 PolarHBondContact O-N 3.21Å; V251-M255 VanDerWaalsContact O-N 3.09Å; V252-M255 PolarHBondContact O-N 3.13Å; K253-M255 VanDerWaalsContact C-N 3.3Å; K253-M255 PolarHBondContact O-N 3.12Å; M255-V257 VanDerWaalsContact C-N 3.32Å; M255-V257 PolarHBondContact O-N 3.4Å; M255-V258 PolarHBondContact O-N 2.72Å; M255-V259 WeakPolarHBondContact O-CG2 3.45Å; M255-V259 PolarHBondContact O-N 3.3Å |
| 256 | I | 86 | Confident | 84.9 | Confident | 71 Ų | 71 | 48.9 Ų | 48.9 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 171.3 | -68.2 | 168.7 | 0 | 0 | 0 | 110 | Y221 V252 K253 V258 V259 C260 | Y221-I256 HydrophobicContact CG-CG1 4.32Å; V252-I256 HydrophobicContact CG1-CD1 3.87Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CG1 3.34Å; V252-I256 PolarHBondContact O-N 3.09Å; K253-I256 PolarHBondContact O-N 3.44Å; I256-V258 VanDerWaalsContact C-N 3.35Å; I256-V258 PolarHBondContact O-N 3.08Å; I256-V259 PolarHBondContact O-N 2.86Å; I256-C260 WeakPolarHBondContact O-CB 3.3Å; I256-C260 PolarHBondContact O-N 3.42Å; I256-C260 PolarHBondContact O-SG 3.05Å |
| 257 | V | 88.5 | Confident | 85.5 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.327 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 111 | K253 M254 M255 V259 C260 T261 I309 L313 | K253-V257 VanDerWaalsContact O-CG2 3.31Å; K253-V257 WeakPolarHBondContact O-CG2 3.28Å; K253-V257 PolarHBondContact O-N 3.08Å; M254-V257 PolarHBondContact O-N 2.96Å; M255-V257 VanDerWaalsContact C-N 3.32Å; M255-V257 PolarHBondContact O-N 3.4Å; V257-V259 VanDerWaalsContact C-N 3.34Å; V257-V259 PolarHBondContact O-N 3.27Å; V257-C260 PolarHBondContact O-N 2.79Å; V257-T261 WeakPolarHBondContact O-CB 3.25Å; V257-T261 PolarHBondContact O-N 2.94Å; V257-T261 PolarHBondContact O-OG1 2.63Å; V257-I309 HydrophobicContact CG1-CD1 4.24Å; V257-I309 HydrophobicContact CG1-CG1 4.3Å; V257-I309 HydrophobicContact CG1-CG2 4.38Å; V257-L313 HydrophobicContact CB-CD1 4.31Å; V257-L313 HydrophobicContact CG1-CD1 4.45Å; V257-L313 HydrophobicContact CG2-CD1 4.39Å |
| 258 | V | 84.9 | Confident | 86.4 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | M128 M254 M255 I256 T261 F262 N306 I309 Y310 | M128-V258 HydrophobicContact CE-CB 4.34Å; M128-V258 HydrophobicContact CE-CG1 3.42Å; M128-V258 VanDerWaalsContact CE-CG1 3.42Å; M128-V258 HydrophobicContact SD-CG1 3.92Å; M254-V258 WeakPolarHBondContact O-CG2 3.39Å; M254-V258 PolarHBondContact O-N 3.28Å; M254-V258 VanDerWaalsContact O-N 3.11Å; M255-V258 PolarHBondContact O-N 2.72Å; I256-V258 VanDerWaalsContact C-N 3.35Å; I256-V258 PolarHBondContact O-N 3.08Å; V258-T261 PolarHBondContact O-N 3.21Å; V258-F262 PolarHBondContact O-N 3.2Å; V258-N306 WeakPolarHBondContact CG1-OD1 3.41Å; V258-I309 HydrophobicContact CG2-CB 4.33Å; V258-I309 HydrophobicContact CG2-CD1 4.04Å; V258-I309 HydrophobicContact CG2-CG2 3.6Å; V258-Y310 HydrophobicContact CG2-CE1 4.24Å |
| 259 | V | 86.5 | Confident | 87 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -43.9 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | M128 L214 M217 Y221 M255 I256 V257 T261 F262 A263 | M128-V259 HydrophobicContact CE-CG2 4Å; L214-V259 HydrophobicContact CD2-CG1 3.84Å; M217-V259 HydrophobicContact CB-CG1 4.46Å; M217-V259 HydrophobicContact CB-CG2 4.31Å; M217-V259 HydrophobicContact CE-CG1 4.11Å; M217-V259 HydrophobicContact CE-CG2 3.99Å; M217-V259 HydrophobicContact SD-CG2 3.56Å; M217-V259 VanDerWaalsContact SD-CG2 3.56Å; Y221-V259 HydrophobicContact CD2-CG2 4.28Å; Y221-V259 HydrophobicContact CE2-CG2 3.58Å; M255-V259 WeakPolarHBondContact O-CG2 3.45Å; M255-V259 PolarHBondContact O-N 3.3Å; I256-V259 PolarHBondContact O-N 2.86Å; V257-V259 VanDerWaalsContact C-N 3.34Å; V257-V259 PolarHBondContact O-N 3.27Å; V259-T261 VanDerWaalsContact C-N 3.31Å; V259-T261 PolarHBondContact O-N 2.03Å; V259-F262 PolarHBondContact O-N 2.98Å; V259-A263 WeakPolarHBondContact O-CB 3.39Å; V259-A263 PolarHBondContact O-N 3.49Å |
| 260 | C | 90.5 | Very high | 87.3 | Confident | 63 Ų | 63 | 43 Ų | 43 | 43% | 0.426 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.1 | -69 | 0 | 0 | 0 | 0 | 111.1 | I256 V257 A263 I264 | I256-C260 WeakPolarHBondContact O-CB 3.3Å; I256-C260 PolarHBondContact O-N 3.42Å; I256-C260 PolarHBondContact O-SG 3.05Å; V257-C260 PolarHBondContact O-N 2.79Å; C260-A263 PolarHBondContact O-N 3.02Å; C260-I264 WeakPolarHBondContact O-CB 3.4Å; C260-I264 WeakPolarHBondContact O-CD1 3Å; C260-I264 VanDerWaalsContact O-CG1 3.23Å; C260-I264 WeakPolarHBondContact O-CG1 3.29Å; C260-I264 PolarHBondContact O-N 3.35Å |
| 261 | T | 91.3 | Very high | 87.7 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 175 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | V257 V258 V259 A263 I264 C265 Y305 I309 | V257-T261 WeakPolarHBondContact O-CB 3.25Å; V257-T261 PolarHBondContact O-N 2.94Å; V257-T261 PolarHBondContact O-OG1 2.63Å; V258-T261 PolarHBondContact O-N 3.21Å; V259-T261 VanDerWaalsContact C-N 3.31Å; V259-T261 PolarHBondContact O-N 2.03Å; T261-A263 PolarHBondContact O-N 3.47Å; T261-I264 PolarHBondContact O-N 3.4Å; T261-C265 WeakPolarHBondContact O-CB 3.46Å; T261-C265 PolarHBondContact O-N 3.48Å; T261-C265 PolarHBondContact O-SG 2.91Å; T261-Y305 HydrophobicContact CG2-CD2 3.37Å; T261-Y305 HydrophobicContact CG2-CE2 4.26Å; T261-Y305 HydrophobicContact CG2-CG 3.88Å; T261-I309 HydrophobicContact CG2-CD1 4.48Å |
| 262 | F | 88.1 | Confident | 88.3 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 176.8 | -178.8 | -89 | 0 | 0 | 0 | 112 | V121 I125 M128 Y210 L214 V258 V259 I264 C265 W266 | V121-F262 HydrophobicContact CG1-CE2 4.46Å; V121-F262 HydrophobicContact CG1-CZ 4.38Å; I125-F262 HydrophobicContact CB-CE1 4.37Å; I125-F262 HydrophobicContact CB-CE2 4.23Å; I125-F262 HydrophobicContact CB-CZ 3.84Å; I125-F262 HydrophobicContact CD1-CD1 3.47Å; I125-F262 VanDerWaalsContact CD1-CD1 3.47Å; I125-F262 HydrophobicContact CD1-CD2 4.1Å; I125-F262 HydrophobicContact CD1-CE1 3.28Å; I125-F262 HydrophobicContact CD1-CE2 3.93Å; I125-F262 HydrophobicContact CD1-CG 3.88Å; I125-F262 HydrophobicContact CD1-CZ 3.54Å; I125-F262 HydrophobicContact CG1-CD1 4.39Å; I125-F262 HydrophobicContact CG1-CE1 3.72Å; I125-F262 HydrophobicContact CG1-CE2 4.37Å; I125-F262 HydrophobicContact CG1-CZ 3.71Å; M128-F262 HydrophobicContact CE-CB 4.06Å; M128-F262 HydrophobicContact CE-CG 4.5Å; M128-F262 HydrophobicContact SD-CD2 4.48Å; Y210-F262 HydrophobicContact CD2-CE1 4.21Å; L214-F262 HydrophobicContact CD2-CD1 4.33Å; V258-F262 PolarHBondContact O-N 3.2Å; V259-F262 PolarHBondContact O-N 2.98Å; F262-I264 PolarHBondContact O-N 3.04Å; F262-C265 PolarHBondContact O-N 3Å; F262-W266 AromaticContact CD2-CD1 3.5Å; F262-W266 HydrophobicContact CD2-CG 4.48Å; F262-W266 AromaticContact CD2-NE1 3.75Å; F262-W266 HydrophobicContact CE1-CB 4.43Å; F262-W266 HydrophobicContact CE1-CG 4.33Å; F262-W266 AromaticContact CE2-CD1 3.35Å; F262-W266 HydrophobicContact CE2-CD2 4.47Å; F262-W266 HydrophobicContact CE2-CG 4.04Å; F262-W266 AromaticContact CE2-NE1 3.41Å; F262-W266 AromaticContact CG-CD1 3.99Å; F262-W266 HydrophobicContact CZ-CB 4.5Å; F262-W266 AromaticContact CZ-CD1 3.7Å; F262-W266 HydrophobicContact CZ-CD2 4.44Å; F262-W266 AromaticContact CZ-CG 3.96Å; F262-W266 HydrophobicContact CZ-CG 3.96Å; F262-W266 WeakPolarHBondContact O-CB 3.3Å; F262-W266 PolarHBondContact O-N 3.44Å |
| 263 | A | 91.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y210 L214 V259 C260 T261 C265 L267 | Y210-A263 PolarHBondContact OH-O 2.91Å; L214-A263 HydrophobicContact CD1-CB 4.04Å; L214-A263 HydrophobicContact CD2-CB 3.86Å; V259-A263 WeakPolarHBondContact O-CB 3.39Å; V259-A263 PolarHBondContact O-N 3.49Å; C260-A263 PolarHBondContact O-N 3.02Å; T261-A263 PolarHBondContact O-N 3.47Å; A263-C265 PolarHBondContact O-N 3.35Å; A263-L267 WeakPolarHBondContact O-CB 3.34Å; A263-L267 PolarHBondContact O-N 2.95Å |
| 264 | I | 94 | Very high | 88.6 | Confident | 113 Ų | 113 | 37.9 Ų | 37.9 | 58% | 0.579 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.9 | -39 | -179 | -67.6 | 165.4 | 0 | 0 | 0 | 111.5 | C260 T261 F262 P268 | C260-I264 WeakPolarHBondContact O-CB 3.4Å; C260-I264 WeakPolarHBondContact O-CD1 3Å; C260-I264 VanDerWaalsContact O-CG1 3.23Å; C260-I264 WeakPolarHBondContact O-CG1 3.29Å; C260-I264 PolarHBondContact O-N 3.35Å; T261-I264 PolarHBondContact O-N 3.4Å; F262-I264 PolarHBondContact O-N 3.04Å; I264-P268 VanDerWaalsContact O-CD 3.25Å; I264-P268 WeakPolarHBondContact O-CD 3.42Å |
| 265 | C | 93.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -39.3 | -178 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | T261 F262 A263 L298 A299 | T261-C265 WeakPolarHBondContact O-CB 3.46Å; T261-C265 PolarHBondContact O-N 3.48Å; T261-C265 PolarHBondContact O-SG 2.91Å; F262-C265 PolarHBondContact O-N 3Å; A263-C265 PolarHBondContact O-N 3.35Å; C265-L298 WeakPolarHBondContact CB-O 3.26Å; C265-A299 WeakPolarHBondContact O-CA 3.41Å |
| 266 | W | 91.1 | Very high | 88.8 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -92 | -20.8 | -174.1 | -76.2 | 89.4 | 0 | 0 | 0 | 114.2 | M86 V121 Y210 F262 F269 H270 A299 S302 | M86-W266 HydrophobicContact CE-CH2 4.48Å; V121-W266 HydrophobicContact CB-CH2 4.24Å; V121-W266 HydrophobicContact CB-CZ2 4.37Å; V121-W266 HydrophobicContact CG1-CD2 4.45Å; V121-W266 HydrophobicContact CG1-CE3 4.46Å; V121-W266 HydrophobicContact CG1-CH2 3.9Å; V121-W266 HydrophobicContact CG1-CZ2 3.83Å; V121-W266 HydrophobicContact CG1-CZ3 4.2Å; V121-W266 HydrophobicContact CG2-CH2 3.27Å; V121-W266 HydrophobicContact CG2-CZ2 3.5Å; V121-W266 VanDerWaalsContact CG2-CZ2 3.5Å; V121-W266 HydrophobicContact CG2-CZ3 4.14Å; Y210-W266 HydrophobicContact CD2-CB 3.83Å; Y210-W266 HydrophobicContact CE2-CB 3.8Å; F262-W266 AromaticContact CD2-CD1 3.5Å; F262-W266 HydrophobicContact CD2-CG 4.48Å; F262-W266 AromaticContact CD2-NE1 3.75Å; F262-W266 HydrophobicContact CE1-CB 4.43Å; F262-W266 HydrophobicContact CE1-CG 4.33Å; F262-W266 AromaticContact CE2-CD1 3.35Å; F262-W266 HydrophobicContact CE2-CD2 4.47Å; F262-W266 HydrophobicContact CE2-CG 4.04Å; F262-W266 AromaticContact CE2-NE1 3.41Å; F262-W266 AromaticContact CG-CD1 3.99Å; F262-W266 HydrophobicContact CZ-CB 4.5Å; F262-W266 AromaticContact CZ-CD1 3.7Å; F262-W266 HydrophobicContact CZ-CD2 4.44Å; F262-W266 AromaticContact CZ-CG 3.96Å; F262-W266 HydrophobicContact CZ-CG 3.96Å; F262-W266 WeakPolarHBondContact O-CB 3.3Å; F262-W266 PolarHBondContact O-N 3.44Å; W266-F269 AromaticContact CE3-CD1 4Å; W266-F269 HydrophobicContact CE3-CD1 4Å; W266-F269 HydrophobicContact CE3-CG 4.36Å; W266-F269 AromaticContact CZ3-CD1 3.94Å; W266-F269 HydrophobicContact CZ3-CD1 3.94Å; W266-F269 HydrophobicContact CZ3-CE1 4.05Å; W266-F269 HydrophobicContact CZ3-CG 4.37Å; W266-F269 WeakPolarHBondContact O-CB 3.48Å; W266-F269 PolarHBondContact O-N 2.89Å; W266-H270 AromaticContact CE3-NE2 3.8Å; W266-H270 PolarHBondContact O-CD2 3.45Å; W266-H270 VanDerWaalsContact O-CD2 3.25Å; W266-H270 PolarHBondContact O-N 3.39Å; W266-H270 VanDerWaalsContact O-N 3.08Å; W266-A299 HydrophobicContact CD2-CB 4.36Å; W266-A299 HydrophobicContact CE3-CB 4.28Å; W266-A299 HydrophobicContact CH2-CB 4.4Å; W266-A299 HydrophobicContact CZ3-CB 4.31Å; W266-S302 PolarHBondContact NE1-OG 3.39Å |
| 267 | L | 92.1 | Very high | 88.4 | Confident | 78 Ų | 78 | 41.5 Ų | 41.5 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.9 | -51.1 | 179.3 | -178.9 | 65.4 | 0 | 0 | 0 | 112.8 | Y210 A263 F269 H270 V271 | Y210-L267 HydrophobicContact CE1-CD1 3.99Å; Y210-L267 WeakPolarHBondContact OH-CB 3.27Å; Y210-L267 WeakPolarHBondContact OH-CD1 3.38Å; A263-L267 WeakPolarHBondContact O-CB 3.34Å; A263-L267 PolarHBondContact O-N 2.95Å; L267-F269 PolarHBondContact O-N 3.3Å; L267-H270 PolarHBondContact O-N 3.27Å; L267-V271 HydrophobicContact CD1-CG2 3.81Å; L267-V271 HydrophobicContact CG-CG2 4.14Å; L267-V271 WeakPolarHBondContact O-CB 3.08Å; L267-V271 VanDerWaalsContact O-CG2 3.27Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 3.31Å |
| 268 | P | 93 | Very high | 88 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -32 | -175.7 | -23.6 | 38.8 | 0 | 0 | 0 | 111.8 | I264 Y272 I295 L298 | I264-P268 VanDerWaalsContact O-CD 3.25Å; I264-P268 WeakPolarHBondContact O-CD 3.42Å; P268-Y272 WeakPolarHBondContact O-CB 3.49Å; P268-Y272 PolarHBondContact O-N 3.39Å; P268-I295 HydrophobicContact CB-CG1 4.16Å; P268-I295 HydrophobicContact CB-CG2 4.13Å; P268-L298 HydrophobicContact CG-CD2 3.86Å |
| 269 | F | 89.9 | Confident | 87.9 | Confident | 36 Ų | 36 | 50 Ų | 50 | 16% | 0.158 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -52.3 | 176.2 | -176.8 | -88.6 | 0 | 0 | 0 | 111.3 | W266 L267 V271 Y272 F273 I295 M296 A299 | W266-F269 AromaticContact CE3-CD1 4Å; W266-F269 HydrophobicContact CE3-CD1 4Å; W266-F269 HydrophobicContact CE3-CG 4.36Å; W266-F269 AromaticContact CZ3-CD1 3.94Å; W266-F269 HydrophobicContact CZ3-CD1 3.94Å; W266-F269 HydrophobicContact CZ3-CE1 4.05Å; W266-F269 HydrophobicContact CZ3-CG 4.37Å; W266-F269 WeakPolarHBondContact O-CB 3.48Å; W266-F269 PolarHBondContact O-N 2.89Å; L267-F269 PolarHBondContact O-N 3.3Å; F269-V271 VanDerWaalsContact C-N 3.35Å; F269-V271 PolarHBondContact O-N 2.96Å; F269-Y272 PolarHBondContact O-N 3.43Å; F269-F273 AromaticContact CD1-CD2 3.93Å; F269-F273 HydrophobicContact CD1-CD2 3.93Å; F269-F273 HydrophobicContact CD1-CE2 4.17Å; F269-F273 HydrophobicContact CD2-CD2 4.29Å; F269-F273 AromaticContact CD2-CE2 3.89Å; F269-F273 HydrophobicContact CD2-CE2 3.89Å; F269-F273 AromaticContact CE1-CD2 3.66Å; F269-F273 HydrophobicContact CE1-CD2 3.66Å; F269-F273 AromaticContact CE1-CE2 3.65Å; F269-F273 HydrophobicContact CE1-CE2 3.65Å; F269-F273 HydrophobicContact CE2-CD2 4.09Å; F269-F273 AromaticContact CE2-CE2 3.36Å; F269-F273 HydrophobicContact CE2-CE2 3.36Å; F269-F273 HydrophobicContact CE2-CZ 4.27Å; F269-F273 HydrophobicContact CG-CD2 4.23Å; F269-F273 HydrophobicContact CG-CE2 4.28Å; F269-F273 AromaticContact CZ-CD2 3.76Å; F269-F273 HydrophobicContact CZ-CD2 3.76Å; F269-F273 AromaticContact CZ-CE2 3.2Å; F269-F273 HydrophobicContact CZ-CE2 3.2Å; F269-F273 HydrophobicContact CZ-CZ 4.02Å; F269-F273 WeakPolarHBondContact O-CD2 3.5Å; F269-F273 PolarHBondContact O-N 3.03Å; F269-F273 VanDerWaalsContact O-N 3.07Å; F269-I295 HydrophobicContact CB-CG2 3.97Å; F269-I295 HydrophobicContact CD2-CG2 4.43Å; F269-M296 HydrophobicContact CD2-SD 4.37Å; F269-M296 HydrophobicContact CE2-CE 3.79Å; F269-M296 HydrophobicContact CE2-SD 3.8Å; F269-A299 HydrophobicContact CB-CB 3.97Å; F269-A299 HydrophobicContact CD2-CB 3.99Å; F269-A299 HydrophobicContact CG-CB 4.15Å |
| 270 | H | 89.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 178.4 | -71.4 | -64.7 | 0 | 0 | 0 | 112.4 | Y210 W266 L267 F273 L274 | Y210-H270 VanDerWaalsContact CB-CD2 3.5Å; Y210-H270 WeakPolarHBondContact CB-CD2 3.23Å; Y210-H270 WeakPolarHBondContact CB-NE2 3.48Å; Y210-H270 AromaticContact CD2-CD2 3.43Å; Y210-H270 VanDerWaalsContact CD2-CD2 3.43Å; Y210-H270 WeakPolarHBondContact CD2-CD2 3.42Å; Y210-H270 AromaticContact CD2-NE2 3.89Å; Y210-H270 AromaticContact CG-CD2 3.43Å; Y210-H270 VanDerWaalsContact CG-CD2 3.43Å; Y210-H270 AromaticContact CG-NE2 3.9Å; W266-H270 AromaticContact CE3-NE2 3.8Å; W266-H270 PolarHBondContact O-CD2 3.45Å; W266-H270 VanDerWaalsContact O-CD2 3.25Å; W266-H270 PolarHBondContact O-N 3.39Å; W266-H270 VanDerWaalsContact O-N 3.08Å; L267-H270 PolarHBondContact O-N 3.27Å; H270-F273 PolarHBondContact O-N 3.45Å; H270-L274 WeakPolarHBondContact O-CB 3.43Å; H270-L274 VanDerWaalsContact O-CG 3.22Å; H270-L274 WeakPolarHBondContact O-CG 3.44Å; H270-L274 PolarHBondContact O-N 3.37Å |
| 271 | V | 89.8 | Confident | 86.8 | Confident | 61 Ų | 61 | 58 Ų | 58 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L267 F269 F273 L274 L275 | L267-V271 HydrophobicContact CD1-CG2 3.81Å; L267-V271 HydrophobicContact CG-CG2 4.14Å; L267-V271 WeakPolarHBondContact O-CB 3.08Å; L267-V271 VanDerWaalsContact O-CG2 3.27Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 3.31Å; F269-V271 VanDerWaalsContact C-N 3.35Å; F269-V271 PolarHBondContact O-N 2.96Å; V271-F273 PolarHBondContact O-N 3.47Å; V271-L274 PolarHBondContact O-N 2.88Å; V271-L275 HydrophobicContact CG1-CD1 3.67Å; V271-L275 HydrophobicContact CG1-CG 4.1Å; V271-L275 VanDerWaalsContact O-CB 3.32Å; V271-L275 WeakPolarHBondContact O-CB 3.2Å; V271-L275 VanDerWaalsContact O-CG 3.26Å; V271-L275 WeakPolarHBondContact O-CG 3.44Å; V271-L275 PolarHBondContact O-N 2.88Å |
| 272 | Y | 88.3 | Confident | 85.9 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 13% | 0.129 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -50 | 177.2 | 178 | -85.7 | 0 | 0 | 0 | 112.2 | P268 F269 L274 L275 H276 F283 I288 Y292 I295 | P268-Y272 WeakPolarHBondContact O-CB 3.49Å; P268-Y272 PolarHBondContact O-N 3.39Å; F269-Y272 PolarHBondContact O-N 3.43Å; Y272-L274 PolarHBondContact O-N 3.42Å; Y272-L275 PolarHBondContact O-N 2.91Å; Y272-H276 WeakPolarHBondContact O-CB 3.23Å; Y272-H276 PolarHBondContact O-N 3Å; Y272-F283 AromaticContact CD2-CE1 3.8Å; Y272-F283 HydrophobicContact CD2-CE1 3.8Å; Y272-F283 HydrophobicContact CE1-CE1 4.19Å; Y272-F283 HydrophobicContact CE2-CD1 4.01Å; Y272-F283 AromaticContact CE2-CE1 3.47Å; Y272-F283 HydrophobicContact CE2-CE1 3.47Å; Y272-F283 VanDerWaalsContact CE2-CE1 3.47Å; Y272-F283 HydrophobicContact CG-CE1 4.32Å; Y272-F283 AromaticContact CZ-CD1 3.93Å; Y272-F283 AromaticContact CZ-CE1 3.66Å; Y272-I288 HydrophobicContact CE2-CD1 3.94Å; Y272-I288 HydrophobicContact CE2-CG1 4.4Å; Y272-Y292 HydrophobicContact CD1-CD2 4.29Å; Y272-Y292 AromaticContact CE1-CD2 3.64Å; Y272-Y292 HydrophobicContact CE1-CD2 3.64Å; Y272-Y292 HydrophobicContact CE1-CE2 4.25Å; Y272-Y292 AromaticContact CZ-CD2 3.8Å; Y272-I295 HydrophobicContact CD2-CD1 3.63Å; Y272-I295 HydrophobicContact CG-CD1 4.11Å |
| 273 | F | 83.6 | Confident | 85.2 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | -179.7 | -84.9 | -79.5 | 0 | 0 | 0 | 112.7 | F269 H270 V271 Q277 Y292 | F269-F273 AromaticContact CD1-CD2 3.93Å; F269-F273 HydrophobicContact CD1-CD2 3.93Å; F269-F273 HydrophobicContact CD1-CE2 4.17Å; F269-F273 HydrophobicContact CD2-CD2 4.29Å; F269-F273 AromaticContact CD2-CE2 3.89Å; F269-F273 HydrophobicContact CD2-CE2 3.89Å; F269-F273 AromaticContact CE1-CD2 3.66Å; F269-F273 HydrophobicContact CE1-CD2 3.66Å; F269-F273 AromaticContact CE1-CE2 3.65Å; F269-F273 HydrophobicContact CE1-CE2 3.65Å; F269-F273 HydrophobicContact CE2-CD2 4.09Å; F269-F273 AromaticContact CE2-CE2 3.36Å; F269-F273 HydrophobicContact CE2-CE2 3.36Å; F269-F273 HydrophobicContact CE2-CZ 4.27Å; F269-F273 HydrophobicContact CG-CD2 4.23Å; F269-F273 HydrophobicContact CG-CE2 4.28Å; F269-F273 AromaticContact CZ-CD2 3.76Å; F269-F273 HydrophobicContact CZ-CD2 3.76Å; F269-F273 AromaticContact CZ-CE2 3.2Å; F269-F273 HydrophobicContact CZ-CE2 3.2Å; F269-F273 HydrophobicContact CZ-CZ 4.02Å; F269-F273 WeakPolarHBondContact O-CD2 3.5Å; F269-F273 PolarHBondContact O-N 3.03Å; F269-F273 VanDerWaalsContact O-N 3.07Å; H270-F273 PolarHBondContact O-N 3.45Å; V271-F273 PolarHBondContact O-N 3.47Å; F273-Q277 WeakPolarHBondContact O-CB 3.43Å; F273-Q277 PolarHBondContact O-N 3.24Å; F273-Y292 HydrophobicContact CE2-CE2 4.44Å; F273-Y292 HydrophobicContact CZ-CE2 4.19Å |
| 274 | L | 85.6 | Confident | 84.1 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 174.9 | -69 | 171.2 | 0 | 0 | 0 | 111.1 | V203 A206 F211 H270 V271 Y272 H276 Q277 F278 | V203-L274 HydrophobicContact CG2-CD2 4.06Å; A206-L274 HydrophobicContact CB-CD1 4.47Å; A206-L274 HydrophobicContact CB-CD2 4.47Å; F211-L274 HydrophobicContact CE2-CD1 4.42Å; H270-L274 WeakPolarHBondContact O-CB 3.43Å; H270-L274 VanDerWaalsContact O-CG 3.22Å; H270-L274 WeakPolarHBondContact O-CG 3.44Å; H270-L274 PolarHBondContact O-N 3.37Å; V271-L274 PolarHBondContact O-N 2.88Å; Y272-L274 PolarHBondContact O-N 3.42Å; L274-H276 VanDerWaalsContact C-N 3.35Å; L274-H276 PolarHBondContact O-N 3.27Å; L274-Q277 WeakPolarHBondContact O-CB 3.49Å; L274-Q277 PolarHBondContact O-N 3.46Å; L274-Q277 VanDerWaalsContact O-N 3.13Å; L274-F278 HydrophobicContact CB-CD2 4.5Å; L274-F278 HydrophobicContact CD2-CE2 4.21Å; L274-F278 WeakPolarHBondContact O-CD2 3.43Å; L274-F278 PolarHBondContact O-N 2.88Å |
| 275 | L | 86 | Confident | 83 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.4 | -74.8 | 176.6 | 0 | 0 | 0 | 111.8 | V271 Y272 Q277 F278 F279 F283 | V271-L275 HydrophobicContact CG1-CD1 3.67Å; V271-L275 HydrophobicContact CG1-CG 4.1Å; V271-L275 VanDerWaalsContact O-CB 3.32Å; V271-L275 WeakPolarHBondContact O-CB 3.2Å; V271-L275 VanDerWaalsContact O-CG 3.26Å; V271-L275 WeakPolarHBondContact O-CG 3.44Å; V271-L275 PolarHBondContact O-N 2.88Å; Y272-L275 PolarHBondContact O-N 2.91Å; L275-Q277 PolarHBondContact O-N 3.25Å; L275-F278 PolarHBondContact O-N 3.41Å; L275-F279 HydrophobicContact CD2-CD2 4Å; L275-F279 HydrophobicContact CD2-CE2 4.44Å; L275-F279 CarbonylContact O-C 3.51Å; L275-F279 WeakPolarHBondContact O-CA 3.26Å; L275-F279 PolarHBondContact O-N 2.98Å; L275-F283 VanDerWaalsContact C-CE2 3.44Å; L275-F283 HydrophobicContact CB-CE2 4Å; L275-F283 HydrophobicContact CB-CZ 3.71Å |
| 276 | H | 81.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 36% | 0.361 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.6 | -35.3 | 176.4 | -176.9 | 61.5 | 0 | 0 | 0 | 111.9 | Y272 L274 F283 | Y272-H276 WeakPolarHBondContact O-CB 3.23Å; Y272-H276 PolarHBondContact O-N 3Å; L274-H276 VanDerWaalsContact C-N 3.35Å; L274-H276 PolarHBondContact O-N 3.27Å; H276-F283 VanDerWaalsContact CA-CZ 3.43Å; H276-F283 HydrophobicContact CB-CD1 4.07Å; H276-F283 HydrophobicContact CB-CD2 4.34Å; H276-F283 HydrophobicContact CB-CE1 3.73Å; H276-F283 HydrophobicContact CB-CE2 4.06Å; H276-F283 HydrophobicContact CB-CG 4.39Å; H276-F283 HydrophobicContact CB-CZ 3.75Å; H276-F283 VanDerWaalsContact N-CE2 3.31Å; H276-F283 AromaticContact ND1-CD1 3.54Å; H276-F283 AromaticContact ND1-CD2 3.93Å; H276-F283 AromaticContact ND1-CG 3.45Å; H276-F283 WeakPolarHBondContact ND1-CG 3.26Å |
| 277 | Q | 78.3 | Confident | 80.5 | Confident | 27 Ų | 27 | 81.3 Ų | 81.3 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -81.4 | -32.8 | -175.9 | -167.3 | 63.9 | 69.5 | 0 | 0 | 114 | K199 F273 L274 L275 | K199-Q277 HydrophobicContact CB-CG 4.19Å; K199-Q277 HydrophobicContact CD-CG 4.17Å; K199-Q277 WeakPolarHBondContact CE-O 3.46Å; K199-Q277 VanDerWaalsContact CG-CD 3.41Å; K199-Q277 HydrophobicContact CG-CG 3.48Å; K199-Q277 VanDerWaalsContact CG-CG 3.48Å; F273-Q277 WeakPolarHBondContact O-CB 3.43Å; F273-Q277 PolarHBondContact O-N 3.24Å; L274-Q277 WeakPolarHBondContact O-CB 3.49Å; L274-Q277 PolarHBondContact O-N 3.46Å; L274-Q277 VanDerWaalsContact O-N 3.13Å; L275-Q277 PolarHBondContact O-N 3.25Å |
| 278 | F | 80.9 | Confident | 79.8 | Confident | 120 Ų | 120 | 79.5 Ų | 79.5 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -95.4 | -28.9 | -179 | -71.3 | -68.5 | 0 | 0 | 0 | 113.6 | V203 L274 L275 | V203-F278 HydrophobicContact CG2-CZ 4.36Å; L274-F278 HydrophobicContact CB-CD2 4.5Å; L274-F278 HydrophobicContact CD2-CE2 4.21Å; L274-F278 WeakPolarHBondContact O-CD2 3.43Å; L274-F278 PolarHBondContact O-N 2.88Å; L275-F278 PolarHBondContact O-N 3.41Å |
| 279 | F | 82.9 | Confident | 78.8 | Confident | 121 Ų | 121 | 79.5 Ų | 79.5 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | trans | -133.5 | 66.6 | -176.5 | -58.9 | -78 | 0 | 0 | 0 | 110.6 | L275 E281 L282 F283 | L275-F279 HydrophobicContact CD2-CD2 4Å; L275-F279 HydrophobicContact CD2-CE2 4.44Å; L275-F279 CarbonylContact O-C 3.51Å; L275-F279 WeakPolarHBondContact O-CA 3.26Å; L275-F279 PolarHBondContact O-N 2.98Å; F279-E281 PolarHBondContact O-N 3.34Å; F279-L282 HydrophobicContact CB-CD1 3.74Å; F279-L282 HydrophobicContact CB-CG 4.19Å; F279-L282 HydrophobicContact CG-CD1 4.36Å; F279-L282 PolarHBondContact O-N 3.24Å; F279-F283 VanDerWaalsContact O-CD2 3.29Å; F279-F283 WeakPolarHBondContact O-CD2 3.4Å; F279-F283 WeakPolarHBondContact O-CE2 3.31Å | ||
| 280 | P | 76.4 | Confident | 78.3 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -60.4 | -29 | -176.3 | 24.6 | -34.1 | 0 | 0 | 0 | 112.9 | L282 F283 | P280-L282 PolarHBondContact O-N 3.38Å; P280-F283 PolarHBondContact O-N 2.91Å |
| 281 | E | 76.1 | Confident | 78.1 | Confident | 172 Ų | 172 | 85.4 Ų | 85.4 | 80% | 0.804 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -59 | -27.7 | 179.9 | -61.1 | 176.1 | -174.6 | 0 | 0 | 113.5 | F279 F283 | F279-E281 PolarHBondContact O-N 3.34Å; E281-F283 PolarHBondContact O-N 2.92Å |
| 282 | L | 72.3 | Confident | 77.7 | Confident | 112 Ų | 112 | 86 Ų | 86 | 59% | 0.586 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -74.5 | -9.6 | 179.2 | -65 | 173.3 | 0 | 0 | 0 | 113.5 | F279 P280 | F279-L282 HydrophobicContact CB-CD1 3.74Å; F279-L282 HydrophobicContact CB-CG 4.19Å; F279-L282 HydrophobicContact CG-CD1 4.36Å; F279-L282 PolarHBondContact O-N 3.24Å; P280-L282 PolarHBondContact O-N 3.38Å |
| 283 | F | 74.4 | Confident | 77.4 | Confident | 26 Ų | 26 | 85.3 Ų | 85.3 | 11% | 0.114 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -104.9 | 3.7 | -170.4 | -67.3 | -103.8 | 0 | 0 | 0 | 113.5 | Y272 L275 H276 F279 P280 E281 E285 I288 | Y272-F283 AromaticContact CD2-CE1 3.8Å; Y272-F283 HydrophobicContact CD2-CE1 3.8Å; Y272-F283 HydrophobicContact CE1-CE1 4.19Å; Y272-F283 HydrophobicContact CE2-CD1 4.01Å; Y272-F283 AromaticContact CE2-CE1 3.47Å; Y272-F283 HydrophobicContact CE2-CE1 3.47Å; Y272-F283 VanDerWaalsContact CE2-CE1 3.47Å; Y272-F283 HydrophobicContact CG-CE1 4.32Å; Y272-F283 AromaticContact CZ-CD1 3.93Å; Y272-F283 AromaticContact CZ-CE1 3.66Å; L275-F283 VanDerWaalsContact C-CE2 3.44Å; L275-F283 HydrophobicContact CB-CE2 4Å; L275-F283 HydrophobicContact CB-CZ 3.71Å; H276-F283 VanDerWaalsContact CA-CZ 3.43Å; H276-F283 HydrophobicContact CB-CD1 4.07Å; H276-F283 HydrophobicContact CB-CD2 4.34Å; H276-F283 HydrophobicContact CB-CE1 3.73Å; H276-F283 HydrophobicContact CB-CE2 4.06Å; H276-F283 HydrophobicContact CB-CG 4.39Å; H276-F283 HydrophobicContact CB-CZ 3.75Å; H276-F283 VanDerWaalsContact N-CE2 3.31Å; H276-F283 AromaticContact ND1-CD1 3.54Å; H276-F283 AromaticContact ND1-CD2 3.93Å; H276-F283 AromaticContact ND1-CG 3.45Å; H276-F283 WeakPolarHBondContact ND1-CG 3.26Å; F279-F283 VanDerWaalsContact O-CD2 3.29Å; F279-F283 WeakPolarHBondContact O-CD2 3.4Å; F279-F283 WeakPolarHBondContact O-CE2 3.31Å; P280-F283 PolarHBondContact O-N 2.91Å; E281-F283 PolarHBondContact O-N 2.92Å; F283-E285 PolarHBondContact O-N 3.13Å; F283-I288 HydrophobicContact CB-CD1 4.42Å; F283-I288 HydrophobicContact CB-CG1 4.3Å; F283-I288 HydrophobicContact CD1-CD1 3.48Å; F283-I288 VanDerWaalsContact CD1-CD1 3.48Å; F283-I288 HydrophobicContact CD1-CG1 3.82Å; F283-I288 HydrophobicContact CE1-CD1 3.98Å; F283-I288 HydrophobicContact CG-CD1 4.18Å; F283-I288 HydrophobicContact CG-CG1 4.46Å |
| 284 | E | 67.6 | Low | 77.7 | Confident | 173 Ų | 173 | 84.6 Ų | 84.6 | 81% | 0.808 | 41% | 0.408 | S | S | * | . | trans | -81.6 | 0.9 | 175.9 | -60.7 | -168 | 168.2 | 0 | 0 | 113.4 | ||||
| 285 | E | 71.1 | Confident | 77.9 | Confident | 128 Ų | 128 | 84.3 Ų | 84.3 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -76.9 | 144 | -175.8 | -72.8 | -63.9 | 166.6 | 0 | 0 | 114.2 | F283 Y287 I288 | F283-E285 PolarHBondContact O-N 3.13Å; E285-Y287 PolarHBondContact O-N 3.09Å; E285-I288 WeakPolarHBondContact O-CB 3.32Å; E285-I288 WeakPolarHBondContact O-CG2 3.35Å; E285-I288 PolarHBondContact O-N 3.08Å; E285-I288 VanDerWaalsContact O-N 3.1Å |
| 286 | T | 60.7 | Low | 77.8 | Confident | 87 Ų | 87 | 81.7 Ų | 81.7 | 53% | 0.534 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.9 | -176.9 | 42.2 | 0 | 0 | 0 | 0 | 115.3 | Q29 | Q29-T286 VanDerWaalsContact NE2-CG2 3.3Š|
| 287 | Y | 70.3 | Confident | 78.2 | Confident | 162 Ų | 162 | 81.5 Ų | 81.5 | 64% | 0.635 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -0.4 | -176.9 | -62.9 | -77.1 | 0 | 0 | 0 | 114.4 | E285 Q289 Q290 F291 | E285-Y287 PolarHBondContact O-N 3.09Å; Y287-Q289 PolarHBondContact O-N 2.94Å; Y287-Q289 VanDerWaalsContact O-N 3.16Å; Y287-Q290 PolarHBondContact O-N 3.42Å; Y287-F291 WeakPolarHBondContact O-CD2 3.49Å; Y287-F291 PolarHBondContact O-N 3.31Å |
| 288 | I | 77.2 | Confident | 78.8 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.3 | -33.2 | -171 | -162.2 | 62.8 | 0 | 0 | 0 | 113.2 | Y272 F283 E285 Q290 F291 Y292 | Y272-I288 HydrophobicContact CE2-CD1 3.94Å; Y272-I288 HydrophobicContact CE2-CG1 4.4Å; F283-I288 HydrophobicContact CB-CD1 4.42Å; F283-I288 HydrophobicContact CB-CG1 4.3Å; F283-I288 HydrophobicContact CD1-CD1 3.48Å; F283-I288 VanDerWaalsContact CD1-CD1 3.48Å; F283-I288 HydrophobicContact CD1-CG1 3.82Å; F283-I288 HydrophobicContact CE1-CD1 3.98Å; F283-I288 HydrophobicContact CG-CD1 4.18Å; F283-I288 HydrophobicContact CG-CG1 4.46Å; E285-I288 WeakPolarHBondContact O-CB 3.32Å; E285-I288 WeakPolarHBondContact O-CG2 3.35Å; E285-I288 PolarHBondContact O-N 3.08Å; E285-I288 VanDerWaalsContact O-N 3.1Å; I288-Q290 PolarHBondContact O-N 2.7Å; I288-F291 PolarHBondContact O-N 3.35Å; I288-Y292 WeakPolarHBondContact O-CB 3.42Å; I288-Y292 PolarHBondContact O-N 3.47Å |
| 289 | Q | 73.2 | Confident | 79.2 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 19% | 0.192 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.5 | -37 | 178.2 | -164.7 | -173 | 11 | 0 | 0 | 112.4 | Y287 L293 | Y287-Q289 PolarHBondContact O-N 2.94Å; Y287-Q289 VanDerWaalsContact O-N 3.16Å; Q289-L293 WeakPolarHBondContact O-CB 3.47Å; Q289-L293 VanDerWaalsContact O-CG 3.29Å; Q289-L293 WeakPolarHBondContact O-CG 3.21Å; Q289-L293 PolarHBondContact O-N 3.25Å |
| 290 | Q | 79.1 | Confident | 79.4 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 177.6 | -65.4 | -63.8 | -39 | 0 | 0 | 111.2 | Q32 Y287 I288 L293 A294 | Q32-Q290 VanDerWaalsContact OE1-NE2 3.15Å; Y287-Q290 PolarHBondContact O-N 3.42Å; I288-Q290 PolarHBondContact O-N 2.7Å; Q290-L293 PolarHBondContact O-N 3.5Å; Q290-A294 WeakPolarHBondContact O-CB 3.44Å; Q290-A294 PolarHBondContact O-N 2.66Å |
| 291 | F | 84.1 | Confident | 80.1 | Confident | 130 Ų | 130 | 67.8 Ų | 67.8 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | 173.2 | -82.8 | -76.4 | 0 | 0 | 0 | 111.6 | Y287 I288 L293 A294 I295 | Y287-F291 WeakPolarHBondContact O-CD2 3.49Å; Y287-F291 PolarHBondContact O-N 3.31Å; I288-F291 PolarHBondContact O-N 3.35Å; F291-L293 PolarHBondContact O-N 2.91Å; F291-A294 PolarHBondContact O-N 3.41Å; F291-I295 WeakPolarHBondContact O-CB 3.25Å; F291-I295 VanDerWaalsContact O-CG1 3.26Å; F291-I295 WeakPolarHBondContact O-CG1 3.41Å; F291-I295 PolarHBondContact O-N 3.38Å |
| 292 | Y | 82.8 | Confident | 80.8 | Confident | 73 Ų | 73 | 60 Ų | 60 | 29% | 0.286 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 176 | 177.1 | -102.7 | 0 | 0 | 0 | 112.1 | Y272 F273 I288 A294 I295 M296 | Y272-Y292 HydrophobicContact CD1-CD2 4.29Å; Y272-Y292 AromaticContact CE1-CD2 3.64Å; Y272-Y292 HydrophobicContact CE1-CD2 3.64Å; Y272-Y292 HydrophobicContact CE1-CE2 4.25Å; Y272-Y292 AromaticContact CZ-CD2 3.8Å; F273-Y292 HydrophobicContact CE2-CE2 4.44Å; F273-Y292 HydrophobicContact CZ-CE2 4.19Å; I288-Y292 WeakPolarHBondContact O-CB 3.42Å; I288-Y292 PolarHBondContact O-N 3.47Å; Y292-A294 VanDerWaalsContact C-N 3.31Å; Y292-A294 PolarHBondContact O-N 3.43Å; Y292-I295 PolarHBondContact O-N 3.1Å; Y292-M296 HydrophobicContact CE1-CE 4.19Å; Y292-M296 HydrophobicContact CE2-CE 4.02Å; Y292-M296 VanDerWaalsContact CZ-CE 3.49Å; Y292-M296 WeakPolarHBondContact O-CB 3.46Å; Y292-M296 PolarHBondContact O-N 2.87Å; Y292-M296 WeakPolarHBondContact OH-CE 3.39Å |
| 293 | L | 82.3 | Confident | 81.6 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 178.1 | -75.2 | 172.2 | 0 | 0 | 0 | 112.4 | W40 Y44 Q289 Q290 F291 W297 | W40-L293 HydrophobicContact CD2-CB 4.28Å; W40-L293 HydrophobicContact CG-CD1 4.41Å; W40-L293 HydrophobicContact CH2-CB 4.47Å; W40-L293 HydrophobicContact CZ2-CB 4.03Å; Y44-L293 PolarHBondContact OH-O 3.04Å; Q289-L293 WeakPolarHBondContact O-CB 3.47Å; Q289-L293 VanDerWaalsContact O-CG 3.29Å; Q289-L293 WeakPolarHBondContact O-CG 3.21Å; Q289-L293 PolarHBondContact O-N 3.25Å; Q290-L293 PolarHBondContact O-N 3.5Å; F291-L293 PolarHBondContact O-N 2.91Å; L293-W297 WeakPolarHBondContact O-CB 3.49Å; L293-W297 PolarHBondContact O-N 2.86Å |
| 294 | A | 88.5 | Confident | 82.4 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.8 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W40 Q290 F291 Y292 W297 L298 | W40-A294 VanDerWaalsContact CH2-CA 3.42Å; W40-A294 HydrophobicContact CH2-CB 3.73Å; W40-A294 HydrophobicContact CZ2-CB 4.15Å; Q290-A294 WeakPolarHBondContact O-CB 3.44Å; Q290-A294 PolarHBondContact O-N 2.66Å; F291-A294 PolarHBondContact O-N 3.41Å; Y292-A294 VanDerWaalsContact C-N 3.31Å; Y292-A294 PolarHBondContact O-N 3.43Å; A294-W297 PolarHBondContact O-N 3.01Å; A294-L298 WeakPolarHBondContact O-CB 3.25Å; A294-L298 PolarHBondContact O-N 3.34Å |
| 295 | I | 89.9 | Confident | 83.5 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.6 | -71.2 | 170 | 0 | 0 | 0 | 110.6 | P268 F269 Y272 F291 Y292 L298 A299 | P268-I295 HydrophobicContact CB-CG1 4.16Å; P268-I295 HydrophobicContact CB-CG2 4.13Å; F269-I295 HydrophobicContact CB-CG2 3.97Å; F269-I295 HydrophobicContact CD2-CG2 4.43Å; Y272-I295 HydrophobicContact CD2-CD1 3.63Å; Y272-I295 HydrophobicContact CG-CD1 4.11Å; F291-I295 WeakPolarHBondContact O-CB 3.25Å; F291-I295 VanDerWaalsContact O-CG1 3.26Å; F291-I295 WeakPolarHBondContact O-CG1 3.41Å; F291-I295 PolarHBondContact O-N 3.38Å; Y292-I295 PolarHBondContact O-N 3.1Å; I295-L298 PolarHBondContact O-N 3.06Å; I295-A299 PolarHBondContact O-N 3.21Å |
| 296 | M | 85.1 | Confident | 84.3 | Confident | 18 Ų | 18 | 44 Ų | 44 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 175 | -177.5 | 67.4 | 82 | 0 | 0 | 111 | Y44 F269 Y292 L298 A299 M300 | Y44-M296 WeakPolarHBondContact OH-CB 3.45Å; Y44-M296 WeakPolarHBondContact OH-CG 3.3Å; F269-M296 HydrophobicContact CD2-SD 4.37Å; F269-M296 HydrophobicContact CE2-CE 3.79Å; F269-M296 HydrophobicContact CE2-SD 3.8Å; Y292-M296 HydrophobicContact CE1-CE 4.19Å; Y292-M296 HydrophobicContact CE2-CE 4.02Å; Y292-M296 VanDerWaalsContact CZ-CE 3.49Å; Y292-M296 WeakPolarHBondContact O-CB 3.46Å; Y292-M296 PolarHBondContact O-N 2.87Å; Y292-M296 WeakPolarHBondContact OH-CE 3.39Å; M296-L298 VanDerWaalsContact C-N 3.31Å; M296-L298 PolarHBondContact O-N 3.16Å; M296-A299 PolarHBondContact O-N 2.89Å; M296-M300 HydrophobicContact CG-CG 4.31Å; M296-M300 WeakPolarHBondContact O-CB 3.43Å; M296-M300 VanDerWaalsContact O-CG 3.25Å; M296-M300 WeakPolarHBondContact O-CG 3.45Å; M296-M300 PolarHBondContact O-N 2.88Å; M296-M300 HydrophobicContact SD-CG 4.16Å |
| 297 | W | 88.5 | Confident | 85.7 | Confident | 73 Ų | 73 | 40 Ų | 40 | 28% | 0.277 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 178.4 | -178.5 | 90.5 | 0 | 0 | 0 | 111.1 | W40 A43 Y44 I47 L293 A294 M300 S301 | W40-W297 HydrophobicContact CE3-CB 4.45Å; W40-W297 HydrophobicContact CE3-CG 4.49Å; W40-W297 HydrophobicContact CH2-CB 4.47Å; W40-W297 HydrophobicContact CZ3-CB 3.67Å; W40-W297 AromaticContact CZ3-CG 3.81Å; W40-W297 HydrophobicContact CZ3-CG 3.81Å; A43-W297 PolarHBondContact O-NE1 3.11Å; A43-W297 VanDerWaalsContact O-NE1 3.16Å; Y44-W297 AromaticContact CD2-CD1 3.81Å; Y44-W297 HydrophobicContact CE1-CB 4.39Å; Y44-W297 HydrophobicContact CE2-CB 3.95Å; Y44-W297 AromaticContact CE2-CD1 3.8Å; Y44-W297 HydrophobicContact CE2-CG 4.3Å; Y44-W297 WeakPolarHBondContact OH-CA 3.33Å; Y44-W297 PolarHBondContact OH-N 2.82Å; I47-W297 VanDerWaalsContact CD1-CD1 3.43Å; I47-W297 HydrophobicContact CD1-CD2 4.22Å; I47-W297 HydrophobicContact CD1-CG 3.96Å; L293-W297 WeakPolarHBondContact O-CB 3.49Å; L293-W297 PolarHBondContact O-N 2.86Å; A294-W297 PolarHBondContact O-N 3.01Å; W297-M300 PolarHBondContact O-N 2.91Å; W297-S301 WeakPolarHBondContact O-CB 2.98Å; W297-S301 PolarHBondContact O-N 2.81Å |
| 298 | L | 92.2 | Very high | 86.7 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 27% | 0.267 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.4 | -38.6 | 177.1 | -179.7 | 61.2 | 0 | 0 | 0 | 112.6 | C265 P268 A294 I295 M296 S301 | C265-L298 WeakPolarHBondContact CB-O 3.26Å; P268-L298 HydrophobicContact CG-CD2 3.86Å; A294-L298 WeakPolarHBondContact O-CB 3.25Å; A294-L298 PolarHBondContact O-N 3.34Å; I295-L298 PolarHBondContact O-N 3.06Å; M296-L298 VanDerWaalsContact C-N 3.31Å; M296-L298 PolarHBondContact O-N 3.16Å; L298-S301 PolarHBondContact O-OG 3.41Å |
| 299 | A | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C265 W266 F269 I295 M296 S301 S302 | C265-A299 WeakPolarHBondContact O-CA 3.41Å; W266-A299 HydrophobicContact CD2-CB 4.36Å; W266-A299 HydrophobicContact CE3-CB 4.28Å; W266-A299 HydrophobicContact CH2-CB 4.4Å; W266-A299 HydrophobicContact CZ3-CB 4.31Å; F269-A299 HydrophobicContact CB-CB 3.97Å; F269-A299 HydrophobicContact CD2-CB 3.99Å; F269-A299 HydrophobicContact CG-CB 4.15Å; I295-A299 PolarHBondContact O-N 3.21Å; M296-A299 PolarHBondContact O-N 2.89Å; A299-S301 VanDerWaalsContact C-N 3.32Å; A299-S301 PolarHBondContact O-N 3.18Å; A299-S302 VanDerWaalsContact O-CB 3.29Å; A299-S302 WeakPolarHBondContact O-CB 3.35Å; A299-S302 PolarHBondContact O-N 2.99Å; A299-S302 PolarHBondContact O-OG 2.83Å |
| 300 | M | 86.7 | Confident | 87.8 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.3 | -28.9 | -179.3 | -64 | -56.9 | -74.1 | 0 | 0 | 112.6 | I47 M86 T91 M296 W297 S302 T303 | I47-M300 HydrophobicContact CD1-CB 4.16Å; M86-M300 HydrophobicContact CE-CE 4.39Å; M86-M300 HydrophobicContact CE-SD 4.2Å; M86-M300 HydrophobicContact CG-CE 4.28Å; M86-M300 HydrophobicContact SD-CE 4.39Å; T91-M300 WeakPolarHBondContact OG1-CE 3.33Å; M296-M300 HydrophobicContact CG-CG 4.31Å; M296-M300 WeakPolarHBondContact O-CB 3.43Å; M296-M300 VanDerWaalsContact O-CG 3.25Å; M296-M300 WeakPolarHBondContact O-CG 3.45Å; M296-M300 PolarHBondContact O-N 2.88Å; M296-M300 HydrophobicContact SD-CG 4.16Å; W297-M300 PolarHBondContact O-N 2.91Å; M300-S302 PolarHBondContact O-N 3.23Å; M300-T303 PolarHBondContact O-N 2.96Å; M300-T303 PolarHBondContact O-OG1 3.26Å |
| 301 | S | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -22.8 | 177.8 | 76 | 0 | 0 | 0 | 0 | 112.7 | W297 L298 A299 T303 M304 Y305 | W297-S301 WeakPolarHBondContact O-CB 2.98Å; W297-S301 PolarHBondContact O-N 2.81Å; L298-S301 PolarHBondContact O-OG 3.41Å; A299-S301 VanDerWaalsContact C-N 3.32Å; A299-S301 PolarHBondContact O-N 3.18Å; S301-T303 PolarHBondContact O-N 3.37Å; S301-T303 VanDerWaalsContact O-N 3.08Å; S301-M304 VanDerWaalsContact O-CG 3.3Å; S301-M304 WeakPolarHBondContact O-CG 3.25Å; S301-M304 PolarHBondContact O-N 3.22Å; S301-Y305 WeakPolarHBondContact O-CD2 3.21Å; S301-Y305 WeakPolarHBondContact O-CE2 3.43Å; S301-Y305 VanDerWaalsContact OG-CE2 3.3Å; S301-Y305 WeakPolarHBondContact OG-CE2 3.22Å; S301-Y305 PolarHBondContact OG-OH 3.03Å |
| 302 | S | 90.3 | Very high | 88.2 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -51 | -34.4 | 173.8 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | W266 A299 M300 M304 Y305 | W266-S302 PolarHBondContact NE1-OG 3.39Å; A299-S302 VanDerWaalsContact O-CB 3.29Å; A299-S302 WeakPolarHBondContact O-CB 3.35Å; A299-S302 PolarHBondContact O-N 2.99Å; A299-S302 PolarHBondContact O-OG 2.83Å; M300-S302 PolarHBondContact O-N 3.23Å; S302-M304 PolarHBondContact O-N 2.95Å; S302-Y305 PolarHBondContact O-N 3.25Å |
| 303 | T | 89.3 | Confident | 88 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70 | -14.5 | 179.6 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | S51 N55 E83 M86 M300 S301 | S51-T303 WeakPolarHBondContact CB-O 3.48Å; S51-T303 WeakPolarHBondContact OG-CB 3.46Å; S51-T303 PolarHBondContact OG-O 2.99Å; S51-T303 PolarHBondContact OG-OG1 3.1Å; N55-T303 PolarHBondContact ND2-O 3.42Å; N55-T303 VanDerWaalsContact ND2-O 3.07Å; E83-T303 HydrophobicContact CG-CG2 4.26Å; M86-T303 HydrophobicContact SD-CG2 4.3Å; M300-T303 PolarHBondContact O-N 2.96Å; M300-T303 PolarHBondContact O-OG1 3.26Å; S301-T303 PolarHBondContact O-N 3.37Å; S301-T303 VanDerWaalsContact O-N 3.08Å |
| 304 | M | 91.1 | Very high | 87.9 | Confident | 24 Ų | 24 | 29.9 Ų | 29.9 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -92.7 | -26.7 | 178 | 95.4 | 177.8 | 66 | 0 | 0 | 111.9 | I47 V50 S301 S302 I308 | I47-M304 HydrophobicContact CB-CE 4.09Å; I47-M304 HydrophobicContact CD1-CE 4.42Å; I47-M304 HydrophobicContact CG1-CE 3.55Å; I47-M304 HydrophobicContact CG2-CE 4.18Å; V50-M304 HydrophobicContact CB-CB 4.21Å; V50-M304 HydrophobicContact CG1-CB 3.87Å; V50-M304 HydrophobicContact CG1-CG 4.31Å; S301-M304 VanDerWaalsContact O-CG 3.3Å; S301-M304 WeakPolarHBondContact O-CG 3.25Å; S301-M304 PolarHBondContact O-N 3.22Å; S302-M304 PolarHBondContact O-N 2.95Å; M304-I308 HydrophobicContact CG-CD1 4.32Å; M304-I308 WeakPolarHBondContact O-CD1 3.44Å; M304-I308 WeakPolarHBondContact O-CG1 3.33Å |
| 305 | Y | 91.1 | Very high | 87.5 | Confident | 65 Ų | 65 | 31.6 Ų | 31.6 | 26% | 0.255 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -76.9 | -28.7 | -169.8 | -58.8 | -45 | 0 | 0 | 0 | 112.7 | T261 S301 S302 I308 I309 | T261-Y305 HydrophobicContact CG2-CD2 3.37Å; T261-Y305 HydrophobicContact CG2-CE2 4.26Å; T261-Y305 HydrophobicContact CG2-CG 3.88Å; S301-Y305 WeakPolarHBondContact O-CD2 3.21Å; S301-Y305 WeakPolarHBondContact O-CE2 3.43Å; S301-Y305 VanDerWaalsContact OG-CE2 3.3Å; S301-Y305 WeakPolarHBondContact OG-CE2 3.22Å; S301-Y305 PolarHBondContact OG-OH 3.03Å; S302-Y305 PolarHBondContact O-N 3.25Å; Y305-I308 HydrophobicContact CD1-CD1 4.46Å; Y305-I308 WeakPolarHBondContact O-CB 3.27Å; Y305-I308 PolarHBondContact O-N 3.47Å; Y305-I308 VanDerWaalsContact O-N 3.15Å; Y305-I309 WeakPolarHBondContact O-CB 3.42Å; Y305-I309 WeakPolarHBondContact O-CD1 3.21Å; Y305-I309 WeakPolarHBondContact O-CG1 3.33Å; Y305-I309 PolarHBondContact O-N 3.47Å |
| 306 | N | 88.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.4 | -54.8 | -177 | -75.9 | -22.9 | 0 | 0 | 0 | 113.3 | E83 V258 I308 I309 Y310 | E83-N306 PolarHBondContact OE1-ND2 2.91Å; V258-N306 WeakPolarHBondContact CG1-OD1 3.41Å; N306-I308 VanDerWaalsContact C-N 3.3Å; N306-I308 PolarHBondContact O-N 3.14Å; N306-I309 PolarHBondContact O-N 3.44Å; N306-Y310 HydrophobicContact CB-CE2 4.15Å; N306-Y310 VanDerWaalsContact O-CD1 3.32Å; N306-Y310 WeakPolarHBondContact O-CD1 3.28Å; N306-Y310 VanDerWaalsContact O-CD2 3.28Å; N306-Y310 WeakPolarHBondContact O-CD2 3.21Å; N306-Y310 PolarHBondContact O-N 2.91Å |
| 307 | P | 89.4 | Confident | 87 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.8 | -40.3 | 172.9 | -28 | 35.3 | 0 | 0 | 0 | 114.2 | G54 N55 V58 Y310 C311 F321 | G54-P307 VanDerWaalsContact C-CG 3.42Å; N55-P307 HydrophobicContact CB-CG 4.37Å; N55-P307 WeakPolarHBondContact OD1-CG 3.47Å; V58-P307 HydrophobicContact CG2-CB 4.2Å; V58-P307 HydrophobicContact CG2-CG 4.3Å; P307-Y310 PolarHBondContact O-N 3.08Å; P307-C311 WeakPolarHBondContact O-CB 3.35Å; P307-C311 PolarHBondContact O-N 3.45Å; P307-F321 HydrophobicContact CB-CZ 4.01Å |
| 308 | I | 90.6 | Very high | 86.9 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 41% | 0.405 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 180 | -61.3 | 171.6 | 0 | 0 | 0 | 109.7 | V50 M304 Y305 N306 Y310 C311 C312 | V50-I308 HydrophobicContact CG1-CD1 4.26Å; M304-I308 HydrophobicContact CG-CD1 4.32Å; M304-I308 WeakPolarHBondContact O-CD1 3.44Å; M304-I308 WeakPolarHBondContact O-CG1 3.33Å; Y305-I308 HydrophobicContact CD1-CD1 4.46Å; Y305-I308 WeakPolarHBondContact O-CB 3.27Å; Y305-I308 PolarHBondContact O-N 3.47Å; Y305-I308 VanDerWaalsContact O-N 3.15Å; N306-I308 VanDerWaalsContact C-N 3.3Å; N306-I308 PolarHBondContact O-N 3.14Å; I308-Y310 VanDerWaalsContact C-N 3.3Å; I308-Y310 PolarHBondContact O-N 3.14Å; I308-C311 PolarHBondContact O-N 3.28Å; I308-C312 PolarHBondContact O-N 2.99Å; I308-C312 PolarHBondContact O-SG 3.37Å; I308-C312 VanDerWaalsContact O-SG 3.34Å |
| 309 | I | 88.8 | Confident | 86.4 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.077 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 177.7 | -65.5 | 163.7 | 0 | 0 | 0 | 110.3 | M254 V257 V258 T261 Y305 N306 C312 L313 | M254-I309 HydrophobicContact CG-CG2 4.18Å; V257-I309 HydrophobicContact CG1-CD1 4.24Å; V257-I309 HydrophobicContact CG1-CG1 4.3Å; V257-I309 HydrophobicContact CG1-CG2 4.38Å; V258-I309 HydrophobicContact CG2-CB 4.33Å; V258-I309 HydrophobicContact CG2-CD1 4.04Å; V258-I309 HydrophobicContact CG2-CG2 3.6Å; T261-I309 HydrophobicContact CG2-CD1 4.48Å; Y305-I309 WeakPolarHBondContact O-CB 3.42Å; Y305-I309 WeakPolarHBondContact O-CD1 3.21Å; Y305-I309 WeakPolarHBondContact O-CG1 3.33Å; Y305-I309 PolarHBondContact O-N 3.47Å; N306-I309 PolarHBondContact O-N 3.44Å; I309-C312 PolarHBondContact O-N 3.07Å; I309-L313 HydrophobicContact CG2-CD1 3.73Å; I309-L313 HydrophobicContact CG2-CG 4.35Å; I309-L313 WeakPolarHBondContact O-CB 3.32Å; I309-L313 PolarHBondContact O-N 3.27Å |
| 310 | Y | 85.6 | Confident | 86.1 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 178 | -56.5 | -19.4 | 0 | 0 | 0 | 112 | V58 L76 L79 M254 V258 N306 P307 I308 N314 | V58-Y310 HydrophobicContact CG2-CD2 4.03Å; L76-Y310 HydrophobicContact CD2-CE1 4.09Å; L76-Y310 HydrophobicContact CD2-CE2 3.91Å; L76-Y310 VanDerWaalsContact CD2-OH 3.28Å; L76-Y310 WeakPolarHBondContact CD2-OH 3.49Å; L79-Y310 WeakPolarHBondContact CD2-OH 3.31Å; M254-Y310 HydrophobicContact CE-CD1 3.25Å; M254-Y310 HydrophobicContact CE-CE1 3.62Å; M254-Y310 HydrophobicContact CE-CG 4.31Å; V258-Y310 HydrophobicContact CG2-CE1 4.24Å; N306-Y310 HydrophobicContact CB-CE2 4.15Å; N306-Y310 VanDerWaalsContact O-CD1 3.32Å; N306-Y310 WeakPolarHBondContact O-CD1 3.28Å; N306-Y310 VanDerWaalsContact O-CD2 3.28Å; N306-Y310 WeakPolarHBondContact O-CD2 3.21Å; N306-Y310 PolarHBondContact O-N 2.91Å; P307-Y310 PolarHBondContact O-N 3.08Å; I308-Y310 VanDerWaalsContact C-N 3.3Å; I308-Y310 PolarHBondContact O-N 3.14Å; Y310-N314 WeakPolarHBondContact O-CB 3.29Å; Y310-N314 PolarHBondContact O-N 3.4Å |
| 311 | C | 86.4 | Confident | 86 | Confident | 37 Ų | 37 | 35 Ų | 35 | 25% | 0.25 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.2 | -170.3 | 0 | 0 | 0 | 0 | 112 | P307 I308 R318 F321 | P307-C311 WeakPolarHBondContact O-CB 3.35Å; P307-C311 PolarHBondContact O-N 3.45Å; I308-C311 PolarHBondContact O-N 3.28Å; C311-R318 WeakPolarHBondContact O-CB 3.46Å; C311-R318 WeakPolarHBondContact O-CD 3.47Å; C311-R318 WeakPolarHBondContact O-CG 3.42Å; C311-F321 HydrophobicContact CB-CD2 3.64Å; C311-F321 HydrophobicContact CB-CE2 3.85Å; C311-F321 HydrophobicContact CB-CG 4.26Å |
| 312 | C | 84.4 | Confident | 85.7 | Confident | 78 Ų | 78 | 38.7 Ų | 38.7 | 53% | 0.527 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -71.8 | -44.6 | -179.1 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | I308 I309 R318 | I308-C312 PolarHBondContact O-N 2.99Å; I308-C312 PolarHBondContact O-SG 3.37Å; I308-C312 VanDerWaalsContact O-SG 3.34Å; I309-C312 PolarHBondContact O-N 3.07Å; C312-R318 PolarHBondContact O-NH1 2.98Å |
| 313 | L | 78.9 | Confident | 85.3 | Confident | 48 Ų | 48 | 40.5 Ų | 40.5 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -101.9 | -16.1 | -164.9 | -56.8 | -177.4 | 0 | 0 | 0 | 114.3 | K250 M254 V257 I309 | K250-L313 WeakPolarHBondContact CE-O 3.41Å; M254-L313 HydrophobicContact CB-CB 3.82Å; M254-L313 HydrophobicContact CB-CD1 3.8Å; M254-L313 HydrophobicContact CB-CG 4.45Å; M254-L313 HydrophobicContact CG-CB 3.8Å; M254-L313 HydrophobicContact CG-CD1 3.97Å; M254-L313 HydrophobicContact SD-CB 4.02Å; V257-L313 HydrophobicContact CB-CD1 4.31Å; V257-L313 HydrophobicContact CG1-CD1 4.45Å; V257-L313 HydrophobicContact CG2-CD1 4.39Å; I309-L313 HydrophobicContact CG2-CD1 3.73Å; I309-L313 HydrophobicContact CG2-CG 4.35Å; I309-L313 WeakPolarHBondContact O-CB 3.32Å; I309-L313 PolarHBondContact O-N 3.27Å |
| 314 | N | 80.9 | Confident | 84.9 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 17% | 0.166 | 21% | 0.214 | C | C | . | . | trans | -116.9 | 110.3 | 178.5 | -169.4 | -31 | 0 | 0 | 0 | 111.8 | M254 Y310 R316 F317 R318 | M254-N314 HydrophobicContact SD-CB 4.04Å; Y310-N314 WeakPolarHBondContact O-CB 3.29Å; Y310-N314 PolarHBondContact O-N 3.4Å; N314-R316 PolarHBondContact O-N 2.7Å; N314-R316 VanDerWaalsContact O-N 3.12Å; N314-R316 WeakPolarHBondContact OD1-CB 3.48Å; N314-R316 PolarHBondContact OD1-N 2.83Å; N314-R316 VanDerWaalsContact OD1-N 3.1Å; N314-F317 HydrophobicContact CB-CB 4.21Å; N314-F317 HydrophobicContact CB-CD2 3.88Å; N314-F317 WeakPolarHBondContact ND2-CD2 3.21Å; N314-F317 PolarHBondContact O-N 3.48Å; N314-R318 PolarHBondContact O-N 3.36Å | ||
| 315 | D | 80.3 | Confident | 84.5 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.7 | -30 | -175.2 | -53.6 | -38.3 | 0 | 0 | 0 | 112.7 | K250 R318 A319 | K250-D315 IonicContact NZ-OD1 2.81Å; K250-D315 PolarHBondContact NZ-OD1 3.11Å; K250-D315 IonicContact NZ-OD2 3.3Å; K250-D315 PolarHBondContact NZ-OD2 3.11Å; D315-R318 IonicContact OD1-CZ 2.9Å; D315-R318 VanDerWaalsContact OD1-CZ 3.23Å; D315-R318 IonicContact OD1-NH1 2.81Å; D315-R318 PolarHBondContact OD1-NH1 3.2Å; D315-R318 IonicContact OD1-NH2 3.52Å; D315-R318 PolarHBondContact OD1-NH2 3.35Å; D315-A319 WeakPolarHBondContact O-CB 3.26Å; D315-A319 PolarHBondContact O-N 3.01Å; D315-A319 VanDerWaalsContact O-N 3.15Å |
| 316 | R | 81.3 | Confident | 83.7 | Confident | 130 Ų | 130 | 47.8 Ų | 47.8 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.4 | -38 | 176.4 | -67.9 | -174.8 | -77.5 | -178.6 | -8 | 112.6 | M68 N314 A319 G320 | M68-R316 HydrophobicContact CE-CB 4.03Å; M68-R316 HydrophobicContact SD-CB 4.03Å; N314-R316 PolarHBondContact O-N 2.7Å; N314-R316 VanDerWaalsContact O-N 3.12Å; N314-R316 WeakPolarHBondContact OD1-CB 3.48Å; N314-R316 PolarHBondContact OD1-N 2.83Å; N314-R316 VanDerWaalsContact OD1-N 3.1Å; R316-A319 WeakPolarHBondContact O-CB 3.19Å; R316-G320 PolarHBondContact O-N 2.81Å |
| 317 | F | 82.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.3 | -44.1 | 173.4 | -82.3 | -75.7 | 0 | 0 | 0 | 110.6 | V58 I61 I62 M68 L76 N314 A319 G320 F321 | V58-F317 HydrophobicContact CG1-CE1 4.15Å; I61-F317 HydrophobicContact CD1-CD1 4.14Å; I61-F317 HydrophobicContact CG2-CD1 4.05Å; I61-F317 HydrophobicContact CG2-CE1 4.15Å; I62-F317 HydrophobicContact CD1-CE1 4.28Å; I62-F317 HydrophobicContact CD1-CZ 4.23Å; I62-F317 HydrophobicContact CG1-CE1 4.07Å; I62-F317 HydrophobicContact CG1-CZ 4.18Å; M68-F317 HydrophobicContact CE-CD1 4.43Å; M68-F317 HydrophobicContact CE-CD2 4.12Å; M68-F317 HydrophobicContact CE-CE1 4.18Å; M68-F317 HydrophobicContact CE-CE2 3.85Å; M68-F317 HydrophobicContact CE-CG 4.4Å; M68-F317 HydrophobicContact CE-CZ 3.88Å; L76-F317 HydrophobicContact CD1-CE2 3.82Å; L76-F317 HydrophobicContact CD1-CZ 3.77Å; N314-F317 HydrophobicContact CB-CB 4.21Å; N314-F317 HydrophobicContact CB-CD2 3.88Å; N314-F317 WeakPolarHBondContact ND2-CD2 3.21Å; N314-F317 PolarHBondContact O-N 3.48Å; F317-A319 PolarHBondContact O-N 3.45Å; F317-G320 CarbonylContact O-C 3.59Å; F317-G320 WeakPolarHBondContact O-CA 3.45Å; F317-G320 PolarHBondContact O-N 3.12Å; F317-F321 HydrophobicContact CB-CD2 4.29Å; F317-F321 HydrophobicContact CB-CE2 4.23Å; F317-F321 WeakPolarHBondContact O-CD2 3.36Å; F317-F321 PolarHBondContact O-N 3.45Å |
| 318 | R | 86.3 | Confident | 81.9 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -51.6 | -44.1 | 176.3 | -166.4 | 164.2 | 61.4 | -116.9 | -2.2 | 112.4 | C311 C312 N314 D315 F321 K322 | C311-R318 WeakPolarHBondContact O-CB 3.46Å; C311-R318 WeakPolarHBondContact O-CD 3.47Å; C311-R318 WeakPolarHBondContact O-CG 3.42Å; C312-R318 PolarHBondContact O-NH1 2.98Å; N314-R318 PolarHBondContact O-N 3.36Å; D315-R318 IonicContact OD1-CZ 2.9Å; D315-R318 VanDerWaalsContact OD1-CZ 3.23Å; D315-R318 IonicContact OD1-NH1 2.81Å; D315-R318 PolarHBondContact OD1-NH1 3.2Å; D315-R318 IonicContact OD1-NH2 3.52Å; D315-R318 PolarHBondContact OD1-NH2 3.35Å; R318-F321 PolarHBondContact O-N 2.97Å; R318-K322 WeakPolarHBondContact O-CG 3.37Å; R318-K322 PolarHBondContact O-N 3.05Å |
| 319 | A | 81.6 | Confident | 80.8 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D315 R316 F317 F321 K322 Q323 L339 | D315-A319 WeakPolarHBondContact O-CB 3.26Å; D315-A319 PolarHBondContact O-N 3.01Å; D315-A319 VanDerWaalsContact O-N 3.15Å; R316-A319 WeakPolarHBondContact O-CB 3.19Å; F317-A319 PolarHBondContact O-N 3.45Å; A319-F321 VanDerWaalsContact C-N 3.33Å; A319-F321 PolarHBondContact O-N 3.43Å; A319-K322 PolarHBondContact O-N 3.3Å; A319-Q323 PolarHBondContact O-N 2.91Å; A319-L339 HydrophobicContact CB-CD1 3.17Å; A319-L339 HydrophobicContact CB-CD2 3.17Å; A319-L339 HydrophobicContact CB-CG 3.6Å |
| 320 | G | 83.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R316 F317 Q323 A324 | R316-G320 PolarHBondContact O-N 2.81Å; F317-G320 CarbonylContact O-C 3.59Å; F317-G320 WeakPolarHBondContact O-CA 3.45Å; F317-G320 PolarHBondContact O-N 3.12Å; G320-Q323 WeakPolarHBondContact O-CB 3.26Å; G320-Q323 PolarHBondContact O-N 2.99Å; G320-Q323 VanDerWaalsContact O-N 3.14Å; G320-A324 PolarHBondContact O-N 3.48Å |
| 321 | F | 85.3 | Confident | 78.6 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.2 | -80.9 | -72.9 | 0 | 0 | 0 | 111.9 | T57 V58 I61 P307 C311 F317 R318 A319 Q323 A324 F325 | T57-F321 HydrophobicContact CG2-CD1 3.46Å; T57-F321 VanDerWaalsContact CG2-CD1 3.46Å; T57-F321 HydrophobicContact CG2-CE1 3.52Å; T57-F321 HydrophobicContact CG2-CG 4.33Å; T57-F321 HydrophobicContact CG2-CZ 4.41Å; V58-F321 HydrophobicContact CG2-CE2 4.39Å; V58-F321 HydrophobicContact CG2-CZ 3.77Å; I61-F321 HydrophobicContact CD1-CD2 4.05Å; I61-F321 HydrophobicContact CD1-CE2 4.2Å; I61-F321 HydrophobicContact CD1-CG 4.23Å; P307-F321 HydrophobicContact CB-CZ 4.01Å; C311-F321 HydrophobicContact CB-CD2 3.64Å; C311-F321 HydrophobicContact CB-CE2 3.85Å; C311-F321 HydrophobicContact CB-CG 4.26Å; F317-F321 HydrophobicContact CB-CD2 4.29Å; F317-F321 HydrophobicContact CB-CE2 4.23Å; F317-F321 WeakPolarHBondContact O-CD2 3.36Å; F317-F321 PolarHBondContact O-N 3.45Å; R318-F321 PolarHBondContact O-N 2.97Å; A319-F321 VanDerWaalsContact C-N 3.33Å; A319-F321 PolarHBondContact O-N 3.43Å; F321-Q323 PolarHBondContact O-N 3.44Å; F321-A324 PolarHBondContact O-N 3.33Å; F321-F325 AromaticContact CD1-CE2 3.95Å; F321-F325 HydrophobicContact CD1-CE2 3.95Å; F321-F325 VanDerWaalsContact O-CD2 3.25Å; F321-F325 WeakPolarHBondContact O-CD2 3.46Å; F321-F325 PolarHBondContact O-N 3.37Å |
| 322 | K | 83.9 | Confident | 77.4 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.4 | -33.7 | 173.6 | -73.1 | -176.5 | -179.4 | -166.6 | 0 | 112.5 | R318 A319 R326 V331 S335 | R318-K322 WeakPolarHBondContact O-CG 3.37Å; R318-K322 PolarHBondContact O-N 3.05Å; A319-K322 PolarHBondContact O-N 3.3Å; K322-R326 PolarHBondContact O-N 3.28Å; K322-V331 HydrophobicContact CB-CG1 4.1Å; K322-V331 HydrophobicContact CG-CG1 4.24Å; K322-S335 WeakPolarHBondContact CD-OG 3.32Å; K322-S335 PolarHBondContact NZ-OG 2.84Å |
| 323 | Q | 81.1 | Confident | 75.8 | Confident | 47 Ų | 47 | 71 Ų | 71 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.1 | -41.1 | 175.8 | 179 | 172.3 | -8.3 | 0 | 0 | 112.4 | W60 A319 G320 F321 R326 | W60-Q323 HydrophobicContact CH2-CG 3.97Å; A319-Q323 PolarHBondContact O-N 2.91Å; G320-Q323 WeakPolarHBondContact O-CB 3.26Å; G320-Q323 PolarHBondContact O-N 2.99Å; G320-Q323 VanDerWaalsContact O-N 3.14Å; F321-Q323 PolarHBondContact O-N 3.44Å; Q323-R326 WeakPolarHBondContact O-CD 3.34Å; Q323-R326 WeakPolarHBondContact O-CG 3.14Å |
| 324 | A | 82.1 | Confident | 74.8 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 35% | 0.347 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T57 W60 G320 F321 R326 | T57-A324 HydrophobicContact CG2-CB 3.66Å; W60-A324 HydrophobicContact CE3-CB 4.15Å; W60-A324 HydrophobicContact CZ3-CB 3.93Å; G320-A324 PolarHBondContact O-N 3.48Å; F321-A324 PolarHBondContact O-N 3.33Å; A324-R326 VanDerWaalsContact C-N 3.34Å; A324-R326 PolarHBondContact O-N 2.93Å |
| 325 | F | 83.1 | Confident | 73.5 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 33% | 0.329 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 27.2 | -179.1 | -64.4 | -67.8 | 0 | 0 | 0 | 114.2 | V53 F321 C327 C328 V331 | V53-F325 HydrophobicContact CG1-CE1 4.12Å; V53-F325 HydrophobicContact CG1-CZ 3.75Å; F321-F325 AromaticContact CD1-CE2 3.95Å; F321-F325 HydrophobicContact CD1-CE2 3.95Å; F321-F325 VanDerWaalsContact O-CD2 3.25Å; F321-F325 WeakPolarHBondContact O-CD2 3.46Å; F321-F325 PolarHBondContact O-N 3.37Å; F325-C327 PolarHBondContact O-N 3.04Å; F325-C328 HydrophobicContact CB-CB 4.4Å; F325-C328 WeakPolarHBondContact O-CB 3.5Å; F325-C328 PolarHBondContact O-N 2.88Å; F325-V331 HydrophobicContact CB-CG2 4.3Å |
| 326 | R | 73.5 | Confident | 72.2 | Confident | 129 Ų | 129 | 74.3 Ų | 74.3 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.4 | 179.3 | -84.3 | 174.4 | -178.8 | -175.3 | 3.8 | 114.3 | K322 Q323 A324 C328 Y336 | K322-R326 PolarHBondContact O-N 3.28Å; Q323-R326 WeakPolarHBondContact O-CD 3.34Å; Q323-R326 WeakPolarHBondContact O-CG 3.14Å; A324-R326 VanDerWaalsContact C-N 3.34Å; A324-R326 PolarHBondContact O-N 2.93Å; R326-C328 VanDerWaalsContact C-N 3.25Å; R326-C328 PolarHBondContact O-N 2.88Å; R326-Y336 VanDerWaalsContact NH2-CE2 3.33Å |
| 327 | C | 67.4 | Low | 70.6 | Confident | 133 Ų | 133 | 75 Ų | 75 | 90% | 0.899 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.8 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | F325 | F325-C327 PolarHBondContact O-N 3.04Š|
| 328 | C | 73.6 | Confident | 69 | Low | 56 Ų | 56 | 76.9 Ų | 76.9 | 38% | 0.378 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -84.8 | 133 | 176.3 | -66 | 0 | 0 | 0 | 0 | 110.4 | F325 R326 C330 V331 | F325-C328 HydrophobicContact CB-CB 4.4Å; F325-C328 WeakPolarHBondContact O-CB 3.5Å; F325-C328 PolarHBondContact O-N 2.88Å; R326-C328 VanDerWaalsContact C-N 3.25Å; R326-C328 PolarHBondContact O-N 2.88Å; C328-C330 PolarHBondContact O-N 3.26Å; C328-V331 PolarHBondContact O-N 3.45Å |
| 329 | P | 66.8 | Low | 67.4 | Low | 135 Ų | 135 | 76 Ų | 76 | 88% | 0.877 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.6 | -179.6 | -23.9 | 31.8 | 0 | 0 | 0 | 114.8 | V331 | P329-V331 VanDerWaalsContact C-N 3.34Å; P329-V331 PolarHBondContact O-N 3.36Å |
| 330 | C | 67.1 | Low | 65.9 | Low | 121 Ų | 121 | 81.8 Ų | 81.8 | 82% | 0.818 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.8 | -174.3 | -51.1 | 0 | 0 | 0 | 0 | 114.6 | C328 | C328-C330 PolarHBondContact O-N 3.26Š|
| 331 | V | 61.5 | Low | 64 | Low | 37 Ų | 37 | 86.2 Ų | 86.2 | 22% | 0.224 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -108.2 | 112.3 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | K322 F325 C328 P329 | K322-V331 HydrophobicContact CB-CG1 4.1Å; K322-V331 HydrophobicContact CG-CG1 4.24Å; F325-V331 HydrophobicContact CB-CG2 4.3Å; C328-V331 PolarHBondContact O-N 3.45Å; P329-V331 VanDerWaalsContact C-N 3.34Å; P329-V331 PolarHBondContact O-N 3.36Å |
| 332 | P | 60.9 | Low | 62.1 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | trans | -61.7 | 129.8 | -179.2 | -21.6 | 30.8 | 0 | 0 | 0 | 112 | G334 | P332-G334 PolarHBondContact O-N 3.49Å; P332-G334 VanDerWaalsContact O-N 3.16Å | ||
| 333 | P | 51.3 | Low | 60.4 | Low | 138 Ų | 138 | 91.4 Ų | 91.4 | 90% | 0.896 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 111.4 | 172.4 | 25.6 | -29.8 | 0 | 0 | 0 | 109 | ||
| 334 | G | 56.8 | Low | 58.8 | Low | 63 Ų | 63 | 93.5 Ų | 93.5 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 145.7 | -14.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | P332 Y336 | P332-G334 PolarHBondContact O-N 3.49Å; P332-G334 VanDerWaalsContact O-N 3.16Å; G334-Y336 PolarHBondContact O-N 3.04Å |
| 335 | S | 54.3 | Low | 56.9 | Low | 53 Ų | 53 | 100.4 Ų | 100.4 | 37% | 0.371 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | 2.4 | -178.5 | -172.7 | 0 | 0 | 0 | 0 | 114.9 | K322 | K322-S335 WeakPolarHBondContact CD-OG 3.32Å; K322-S335 PolarHBondContact NZ-OG 2.84Å |
| 336 | Y | 52.9 | Low | 54.9 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 43% | 0.431 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -37.9 | -170.2 | -178.9 | -112.7 | 0 | 0 | 0 | 113.8 | R326 G334 G338 L339 | R326-Y336 VanDerWaalsContact NH2-CE2 3.33Å; G334-Y336 PolarHBondContact O-N 3.04Å; Y336-G338 PolarHBondContact O-N 3.33Å; Y336-L339 PolarHBondContact O-N 3.13Å |
| 337 | E | 47.8 | Very low | 53.5 | Low | 144 Ų | 144 | 102.1 Ų | 102.1 | 67% | 0.673 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.6 | -28.4 | -177.2 | -70.1 | -162.3 | 146.6 | 0 | 0 | 113.1 | L339 E340 L341 | E337-L339 VanDerWaalsContact C-N 3.26Å; E337-L339 PolarHBondContact O-N 3.22Å; E337-E340 PolarHBondContact O-N 2.94Å; E337-L341 HydrophobicContact CB-CD1 4.37Å; E337-L341 WeakPolarHBondContact O-CB 3.32Å; E337-L341 WeakPolarHBondContact O-CD1 3.5Å; E337-L341 PolarHBondContact O-N 3.49Å; E337-L341 VanDerWaalsContact O-N 3.11Å |
| 338 | G | 49.8 | Very low | 52.2 | Low | 40 Ų | 40 | 103 Ų | 103 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66 | -20.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y336 K342 | Y336-G338 PolarHBondContact O-N 3.33Å; G338-K342 WeakPolarHBondContact O-CB 3.49Å; G338-K342 WeakPolarHBondContact O-CG 3.46Å; G338-K342 PolarHBondContact O-N 2.91Å; G338-K342 VanDerWaalsContact O-N 3.13Å |
| 339 | L | 50.8 | Low | 50.8 | Low | 69 Ų | 69 | 103 Ų | 103 | 36% | 0.361 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -81.5 | -38.4 | 179.3 | -84.4 | 126.5 | 0 | 0 | 0 | 113.5 | A319 Y336 E337 S343 | A319-L339 HydrophobicContact CB-CD1 3.17Å; A319-L339 HydrophobicContact CB-CD2 3.17Å; A319-L339 HydrophobicContact CB-CG 3.6Å; Y336-L339 PolarHBondContact O-N 3.13Å; E337-L339 VanDerWaalsContact C-N 3.26Å; E337-L339 PolarHBondContact O-N 3.22Å; L339-S343 WeakPolarHBondContact O-CB 3.38Å |
| 340 | E | 51.3 | Low | 49.5 | Very low | 134 Ų | 134 | 102.6 Ų | 102.6 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.8 | -39.3 | 173.9 | -67.5 | -120.7 | 132.6 | 0 | 0 | 110.3 | E337 S343 | E337-E340 PolarHBondContact O-N 2.94Å; E340-S343 VanDerWaalsContact O-CB 3.32Å; E340-S343 WeakPolarHBondContact O-CB 3.44Å; E340-S343 PolarHBondContact O-N 3.31Å |
| 341 | L | 41.8 | Very low | 48.2 | Very low | 97 Ų | 97 | 100.4 Ų | 100.4 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.7 | -29.7 | -179.6 | -92.8 | 115.8 | 0 | 0 | 0 | 115.3 | E337 S343 T344 | E337-L341 HydrophobicContact CB-CD1 4.37Å; E337-L341 WeakPolarHBondContact O-CB 3.32Å; E337-L341 WeakPolarHBondContact O-CD1 3.5Å; E337-L341 PolarHBondContact O-N 3.49Å; E337-L341 VanDerWaalsContact O-N 3.11Å; L341-S343 VanDerWaalsContact C-N 3.29Å; L341-T344 PolarHBondContact O-OG1 3.47Å |
| 342 | K | 45.7 | Very low | 47.2 | Very low | 171 Ų | 171 | 102.3 Ų | 102.3 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75 | -21.2 | 170.9 | -78.7 | -175.2 | 175.6 | -175.9 | 0 | 112.7 | G338 | G338-K342 WeakPolarHBondContact O-CB 3.49Å; G338-K342 WeakPolarHBondContact O-CG 3.46Å; G338-K342 PolarHBondContact O-N 2.91Å; G338-K342 VanDerWaalsContact O-N 3.13Å |
| 343 | S | 49.9 | Very low | 46.5 | Very low | 32 Ų | 32 | 101.4 Ų | 101.4 | 22% | 0.224 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -71.8 | -41.6 | -176.7 | 168.6 | 0 | 0 | 0 | 0 | 113.7 | R67 L339 E340 L341 | R67-S343 VanDerWaalsContact CZ-OG 3.25Å; R67-S343 PolarHBondContact NH1-OG 3.03Å; R67-S343 PolarHBondContact NH2-OG 3.09Å; L339-S343 WeakPolarHBondContact O-CB 3.38Å; E340-S343 VanDerWaalsContact O-CB 3.32Å; E340-S343 WeakPolarHBondContact O-CB 3.44Å; E340-S343 PolarHBondContact O-N 3.31Å; L341-S343 VanDerWaalsContact C-N 3.29Å |
| 344 | T | 45.8 | Very low | 45.9 | Very low | 90 Ų | 90 | 104.2 Ų | 104.2 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.8 | -39 | -179.6 | 40 | 0 | 0 | 0 | 0 | 111.8 | L341 Y346 L347 Q348 | L341-T344 PolarHBondContact O-OG1 3.47Å; T344-Y346 VanDerWaalsContact C-N 3.31Å; T344-Y346 PolarHBondContact O-N 3.44Å; T344-L347 PolarHBondContact O-N 3.18Å; T344-Q348 PolarHBondContact O-N 3.29Å |
| 345 | R | 42.2 | Very low | 45.2 | Very low | 187 Ų | 187 | 108.7 Ų | 108.7 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -27.2 | -177.8 | -124 | -178.1 | -78.2 | -172.7 | -6.1 | 114.2 | T349 | R345-T349 PolarHBondContact O-OG1 2.89Å; R345-T349 VanDerWaalsContact O-OG1 3.06Å |
| 346 | Y | 42.5 | Very low | 44.5 | Very low | 138 Ų | 138 | 107.8 Ų | 107.8 | 54% | 0.541 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -83.6 | -27.4 | 178 | -156.8 | -93.9 | 0 | 0 | 0 | 113.3 | T344 | T344-Y346 VanDerWaalsContact C-N 3.31Å; T344-Y346 PolarHBondContact O-N 3.44Å |
| 347 | L | 44.3 | Very low | 43.8 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -78.3 | -36 | -179.3 | -150.5 | 88.2 | 0 | 0 | 0 | 111.8 | T344 T349 Q350 T351 | T344-L347 PolarHBondContact O-N 3.18Å; L347-T349 PolarHBondContact O-N 3.04Å; L347-Q350 PolarHBondContact O-N 3.16Å; L347-Q350 VanDerWaalsContact O-N 3.13Å; L347-T351 PolarHBondContact O-N 3.34Å; L347-T351 PolarHBondContact O-OG1 3.06Å; L347-T351 VanDerWaalsContact O-OG1 3.11Å |
| 348 | Q | 38.8 | Very low | 43.4 | Very low | 152 Ų | 152 | 108.2 Ų | 108.2 | 71% | 0.71 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.4 | -32.4 | 177.7 | -161.9 | 159.2 | -4.4 | 0 | 0 | 111.6 | T344 S352 | T344-Q348 PolarHBondContact O-N 3.29Å; Q348-S352 VanDerWaalsContact O-CB 3.25Å; Q348-S352 WeakPolarHBondContact O-CB 3.29Å; Q348-S352 PolarHBondContact O-N 3.29Å |
| 349 | T | 43.6 | Very low | 43.1 | Very low | 57 Ų | 57 | 113.1 Ų | 113.1 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -78.6 | -25 | 177.9 | -11.2 | 0 | 0 | 0 | 0 | 114 | R240 R345 L347 V353 | R240-T349 VanDerWaalsContact NH2-CG2 3.34Å; R240-T349 PolarHBondContact NH2-O 3.42Å; R345-T349 PolarHBondContact O-OG1 2.89Å; R345-T349 VanDerWaalsContact O-OG1 3.06Å; L347-T349 PolarHBondContact O-N 3.04Å; T349-V353 VanDerWaalsContact O-CG2 3.25Å; T349-V353 WeakPolarHBondContact O-CG2 3.43Å |
| 350 | Q | 40.7 | Very low | 42.5 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -84.1 | -37.9 | 174.1 | -82.9 | -153.1 | -8.7 | 0 | 0 | 112.6 | L347 S352 V353 Y354 | L347-Q350 PolarHBondContact O-N 3.16Å; L347-Q350 VanDerWaalsContact O-N 3.13Å; Q350-S352 VanDerWaalsContact C-N 3.31Å; Q350-S352 PolarHBondContact O-N 3.18Å; Q350-V353 PolarHBondContact O-N 3.19Å; Q350-Y354 PolarHBondContact O-N 2.8Å |
| 351 | T | 39.2 | Very low | 42 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 46% | 0.46 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.5 | -31 | 176.5 | -43.3 | 0 | 0 | 0 | 0 | 111.8 | L347 K355 | L347-T351 PolarHBondContact O-N 3.34Å; L347-T351 PolarHBondContact O-OG1 3.06Å; L347-T351 VanDerWaalsContact O-OG1 3.11Å; T351-K355 PolarHBondContact O-N 3.48Å |
| 352 | S | 40.2 | Very low | 41.9 | Very low | 78 Ų | 78 | 113.6 Ų | 113.6 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.4 | -35 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | Q348 Q350 K355 G356 | Q348-S352 VanDerWaalsContact O-CB 3.25Å; Q348-S352 WeakPolarHBondContact O-CB 3.29Å; Q348-S352 PolarHBondContact O-N 3.29Å; Q350-S352 VanDerWaalsContact C-N 3.31Å; Q350-S352 PolarHBondContact O-N 3.18Å; S352-K355 PolarHBondContact O-N 2.98Å; S352-G356 PolarHBondContact O-N 2.81Å |
| 353 | V | 45.7 | Very low | 41.6 | Very low | 75 Ų | 75 | 109.5 Ų | 109.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.2 | -33.8 | -179.7 | 172 | 0 | 0 | 0 | 0 | 111.3 | R240 T349 Q350 S357 | R240-V353 VanDerWaalsContact NH1-CG2 3.27Å; T349-V353 VanDerWaalsContact O-CG2 3.25Å; T349-V353 WeakPolarHBondContact O-CG2 3.43Å; Q350-V353 PolarHBondContact O-N 3.19Å; V353-S357 WeakPolarHBondContact O-CB 3.43Å; V353-S357 PolarHBondContact O-N 3.23Å |
| 354 | Y | 40.2 | Very low | 41 | Very low | 196 Ų | 196 | 111.8 Ų | 111.8 | 77% | 0.769 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.9 | -28.6 | 175.4 | -130.1 | -91.9 | 0 | 0 | 0 | 113.2 | Q350 | Q350-Y354 PolarHBondContact O-N 2.8Å |
| 355 | K | 41.6 | Very low | 40.6 | Very low | 157 Ų | 157 | 112 Ų | 112 | 68% | 0.683 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -79.9 | -36.2 | 173.6 | -78.4 | -172 | 174.9 | -175 | 0 | 113 | T351 S352 M359 | T351-K355 PolarHBondContact O-N 3.48Å; S352-K355 PolarHBondContact O-N 2.98Å; K355-M359 PolarHBondContact O-N 3.15Å |
| 356 | G | 39.8 | Very low | 40.5 | Very low | 34 Ų | 34 | 108.4 Ų | 108.4 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.2 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S352 R358 M359 E360 | S352-G356 PolarHBondContact O-N 2.81Å; G356-R358 PolarHBondContact O-N 3Å; G356-M359 PolarHBondContact O-N 3Å; G356-E360 PolarHBondContact O-N 3.27Å; G356-E360 VanDerWaalsContact O-N 3.11Å |
| 357 | S | 38.8 | Very low | 40.2 | Very low | 68 Ų | 68 | 108.5 Ų | 108.5 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -35.1 | 179.9 | 178.1 | 0 | 0 | 0 | 0 | 113 | V353 M359 T361 | V353-S357 WeakPolarHBondContact O-CB 3.43Å; V353-S357 PolarHBondContact O-N 3.23Å; S357-M359 VanDerWaalsContact C-N 3.33Å; S357-M359 PolarHBondContact O-N 3.3Å; S357-T361 PolarHBondContact O-N 2.88Å; S357-T361 VanDerWaalsContact O-N 3.17Å; S357-T361 PolarHBondContact O-OG1 2.78Å |
| 358 | R | 38.1 | Very low | 39.8 | Very low | 196 Ų | 196 | 111.9 Ų | 111.9 | 74% | 0.74 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73 | -25.5 | 177.7 | -163.7 | 174.6 | 170.9 | 130.1 | -0.7 | 113.1 | G356 T362 | G356-R358 PolarHBondContact O-N 3Å; R358-T362 PolarHBondContact O-N 3.1Å; R358-T362 PolarHBondContact O-OG1 3.33Å |
| 359 | M | 43.3 | Very low | 39.5 | Very low | 142 Ų | 142 | 108.9 Ų | 108.9 | 70% | 0.7 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -79.3 | -39.1 | 176 | -139.2 | 163.8 | 80.6 | 0 | 0 | 111.1 | K355 G356 S357 T362 V363 | K355-M359 PolarHBondContact O-N 3.15Å; G356-M359 PolarHBondContact O-N 3Å; S357-M359 VanDerWaalsContact C-N 3.33Å; S357-M359 PolarHBondContact O-N 3.3Å; M359-T362 PolarHBondContact O-N 3.23Å; M359-V363 WeakPolarHBondContact O-CG2 3.37Å; M359-V363 PolarHBondContact O-N 2.96Å; M359-V363 VanDerWaalsContact O-N 3.1Å |
| 360 | E | 38.1 | Very low | 39 | Very low | 144 Ų | 144 | 109.4 Ų | 109.4 | 67% | 0.673 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.2 | -36.5 | 175.7 | -76.1 | 177.7 | 162.1 | 0 | 0 | 112.9 | G356 S364 | G356-E360 PolarHBondContact O-N 3.27Å; G356-E360 VanDerWaalsContact O-N 3.11Å; E360-S364 PolarHBondContact O-N 2.88Å; E360-S364 PolarHBondContact O-OG 2.74Å; E360-S364 VanDerWaalsContact O-OG 3.14Å |
| 361 | T | 41.6 | Very low | 38.6 | Very low | 82 Ų | 82 | 111.9 Ų | 111.9 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.1 | -32.3 | 175.5 | -43.4 | 0 | 0 | 0 | 0 | 112.6 | S357 T365 | S357-T361 PolarHBondContact O-N 2.88Å; S357-T361 VanDerWaalsContact O-N 3.17Å; S357-T361 PolarHBondContact O-OG1 2.78Å; T361-T365 PolarHBondContact O-N 3.04Å; T361-T365 PolarHBondContact O-OG1 2.8Å |
| 362 | T | 40 | Very low | 38.2 | Very low | 84 Ų | 84 | 116.3 Ų | 116.3 | 52% | 0.515 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74.5 | -34.5 | 179.4 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | R358 M359 V366 | R358-T362 PolarHBondContact O-N 3.1Å; R358-T362 PolarHBondContact O-OG1 3.33Å; M359-T362 PolarHBondContact O-N 3.23Å; T362-V366 VanDerWaalsContact O-CG2 3.32Å; T362-V366 WeakPolarHBondContact O-CG2 3.45Å |
| 363 | V | 40 | Very low | 37.6 | Very low | 86 Ų | 86 | 117.5 Ų | 117.5 | 52% | 0.521 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -74.6 | -37.1 | 178 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | M359 T365 L367 | M359-V363 WeakPolarHBondContact O-CG2 3.37Å; M359-V363 PolarHBondContact O-N 2.96Å; M359-V363 VanDerWaalsContact O-N 3.1Å; V363-T365 PolarHBondContact O-N 3.18Å; V363-L367 HydrophobicContact CG1-CD1 4.25Å |
| 364 | S | 36.5 | Very low | 36.7 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 56% | 0.559 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.9 | -22.9 | 179.3 | -59.6 | 0 | 0 | 0 | 0 | 114.1 | E360 | E360-S364 PolarHBondContact O-N 2.88Å; E360-S364 PolarHBondContact O-OG 2.74Å; E360-S364 VanDerWaalsContact O-OG 3.14Å |
| 365 | T | 38.4 | Very low | 36 | Very low | 93 Ų | 93 | 123 Ų | 123 | 57% | 0.571 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -83.7 | -23.3 | 178.3 | -43.6 | 0 | 0 | 0 | 0 | 112.3 | T361 V363 | T361-T365 PolarHBondContact O-N 3.04Å; T361-T365 PolarHBondContact O-OG1 2.8Å; V363-T365 PolarHBondContact O-N 3.18Å |
| 366 | V | 39.3 | Very low | 35.4 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84.9 | -23.9 | 179.2 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | T362 | T362-V366 VanDerWaalsContact O-CG2 3.32Å; T362-V366 WeakPolarHBondContact O-CG2 3.45Å |
| 367 | L | 37.1 | Very low | 34.7 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -84.9 | -14.1 | 179.8 | -92.4 | 151 | 0 | 0 | 0 | 114.9 | V363 | V363-L367 HydrophobicContact CG1-CD1 4.25Š|
| 368 | H | 35 | Very low | 34.2 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -111 | 4.1 | -178.8 | -96 | -63.9 | 0 | 0 | 0 | 115.3 | ||
| 369 | A | 32 | Very low | 33.6 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -101.9 | 16.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 370 | G | 34.2 | Very low | 32.9 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -107.9 | -1.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 371 | E | 31.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -142 | 115.5 | 175.6 | -77.4 | 177.1 | 124.8 | 0 | 0 | 108.4 | ||
| 372 | D | 31.3 | Very low | 31.7 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | 124.6 | 79.3 | 166.2 | -63.4 | -22.2 | 0 | 0 | 0 | 114.1 | ||||
| 373 | A | 28.3 | Very low | 31.1 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -160.6 | 116.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 374 | E | 26.9 | Very low | 30.6 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -59.1 | 157.2 | 177.4 | -77.5 | 173.5 | 113 | 0 | 0 | 115.8 | ||||
| 375 | H | 25.2 | Very low | 30.2 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | -45 | 142.3 | 169.9 | -77.1 | -74.8 | 0 | 0 | 0 | 116.7 | ||||
| 376 | P | 28.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | trans | -94.2 | 133 | 157.2 | 22.8 | -8.4 | 0 | 0 | 0 | 112.3 | ||||
| 377 | K | 25.3 | Very low | 29.6 | Very low | 216 Ų | 216 | 142.2 Ų | 142.2 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -66.7 | 128.8 | 169 | -72.4 | 175.2 | 177 | 173.2 | 0 | 110.8 | ||||
| 378 | V | 28.6 | Very low | 29.1 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -119.8 | 130.5 | 163.4 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 379 | K | 24.7 | Very low | 28.7 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | trans | -92.1 | 119.9 | -174.9 | -172.2 | 179.9 | -173.9 | 178.4 | 0 | 108.8 | ||||
| 380 | V | 28.9 | Very low | 28.5 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | trans | -131.2 | 136.4 | 167.9 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 381 | R | 26.8 | Very low | 28.2 | Very low | 252 Ų | 252 | 139.5 Ų | 139.5 | 95% | 0.951 | 85% | 0.846 | S | S | * | * | trans | -99.9 | 132.9 | -174.2 | -175.3 | 179.6 | -173.5 | -174.3 | 1.2 | 110.5 | ||||
| 382 | G | 28.5 | Very low | 27.9 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | 158.4 | 131.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 383 | G | 26.8 | Very low | 27.7 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | cis | 136.5 | 103.2 | 22.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 384 | L | 28.4 | Very low | 27.7 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | trans | 61.8 | 133 | 165.8 | -88.3 | 75.7 | 0 | 0 | 0 | 121.7 | ||||
| 385 | G | 28.8 | Very low | 28.4 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 118.2 | 119.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 386 | P | 37.5 | Very low | 28.4 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -104.4 | 156 | -174.7 | 38.3 | -30.3 | 0 | 0 | 0 | 114.2 | ||||
| 387 | G | 27.5 | Very low | 28.2 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 167 | 132.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 388 | G | 27.9 | Very low | 28.2 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 88.5 | 100.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 389 | A | 26 | Very low | 28 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | 78 | 120.4 | 67.8 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 390 | A | 28.2 | Very low | 28.1 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | 85.2 | 121 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 391 | V | 27.1 | Very low | 28 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | 69.1 | 132.3 | 127.7 | -177.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 392 | G | 24.7 | Very low | 28 | Very low | 62 Ų | 62 | 119.2 Ų | 119.2 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | cis | 160.2 | -177.4 | 11 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 393 | V | 26.5 | Very low | 28.1 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 88.6 | 90.5 | 161.3 | -163.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 394 | Q | 28.6 | Very low | 28.1 | Very low | 180 Ų | 180 | 124.1 Ų | 124.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | -72 | 166.1 | 128.2 | -95 | -170.8 | -6.9 | 0 | 0 | 108.6 | |||||
| 395 | P | 41.8 | Very low | 27.9 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 62% | 0.623 | 80% | 0.797 | S | S | * | * | cis | -158.2 | -163.7 | 45.1 | 32.7 | -4.4 | 0 | 0 | 0 | 117.1 | ||||
| 396 | H | 26.5 | Very low | 27.8 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | 94.9 | 108.7 | 162.3 | -71.6 | -65.2 | 0 | 0 | 0 | 117.4 | ||||
| 397 | S | 24.2 | Very low | 27.2 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | 61.8 | 127.9 | 71.9 | 83.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 398 | S | 23.7 | Very low | 27.2 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | -177.1 | 161.5 | 60.7 | 38.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 399 | T | 25.9 | Very low | 27.2 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -54 | 152.1 | 169.5 | 41.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 400 | M | 26.4 | Very low | 27.3 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | 160.6 | 150 | 113.4 | -93.2 | -175.2 | 169.1 | 0 | 0 | 114.4 | |||||
| 401 | D | 26.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -62.3 | 153.4 | 175.6 | -64.6 | -60.1 | 0 | 0 | 0 | 115.5 | ||||
| 402 | L | 27.6 | Very low | 27.3 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | -179.7 | 153.4 | 119.3 | -118.7 | 88 | 0 | 0 | 0 | 113.3 | |||||
| 403 | T | 29 | Very low | 27.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -57.4 | 148.7 | 179.5 | 50.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 404 | S | 26.3 | Very low | 27.6 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -175.3 | 150 | 142 | -178.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 405 | N | 26 | Very low | 27.6 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -53.1 | 157.4 | -178.5 | -78.9 | -32.2 | 0 | 0 | 0 | 117.4 | ||||
| 406 | G | 25.8 | Very low | 26.9 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 143.9 | 102.4 | 135.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 407 | S | 25.6 | Very low | 27 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | 87.3 | 132.3 | 135.1 | 74.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 408 | S | 26.1 | Very low | 27.2 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 73.2 | 137.6 | 152.3 | 79.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 409 | S | 28.6 | Very low | 27.4 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | -161.9 | 142.4 | 11.5 | 45.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 410 | R | 27.4 | Very low | 27.5 | Very low | 246 Ų | 246 | 139.9 Ų | 139.9 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | trans | -131.1 | 102 | 176.4 | -148.6 | 179.3 | -168.2 | -177.5 | 4.2 | 107.4 | ||||
| 411 | S | 27.9 | Very low | 27.6 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -97.7 | 113.3 | 176 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 412 | V | 28.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 82% | 0.819 | S | S | * | * | trans | -93.4 | 125.4 | 167.1 | 171.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 413 | S | 28.4 | Very low | 27.8 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -113.1 | 117.8 | 169.8 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 414 | K | 29.6 | Very low | 27.8 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 138.5 | 178.2 | -73.2 | 175.2 | 173.2 | 175.6 | 0 | 111 | ||
| 415 | T | 27.6 | Very low | 28 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 132.9 | 169.4 | -26.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 416 | V | 27.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 128.7 | 170.1 | 171.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 417 | S | 27.9 | Very low | 28.8 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 125.5 | 174.6 | -44.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 418 | E | 27.8 | Very low | 29.4 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -112.9 | 105.3 | 164.2 | -81.3 | -172.6 | 162.3 | 0 | 0 | 110 | ||||
| 419 | T | 28.8 | Very low | 29.8 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -86.2 | 125.4 | 160.8 | 34.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 420 | S | 28.7 | Very low | 30.2 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | trans | -116.3 | 108.6 | 161 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 421 | S | 27.4 | Very low | 30.4 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 74% | 0.741 | 84% | 0.837 | S | S | * | * | trans | -85.5 | 131.1 | 166.4 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 422 | F | 28.7 | Very low | 30.5 | Very low | 208 Ų | 208 | 152.5 Ų | 152.5 | 91% | 0.912 | 84% | 0.839 | S | S | * | * | trans | -112 | 133.1 | 164.2 | -101 | -83.5 | 0 | 0 | 0 | 109.8 | ||||
| 423 | F | 29.6 | Very low | 30.6 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | trans | -65.5 | 149.6 | -165.2 | -106.7 | -105.4 | 0 | 0 | 0 | 115 | ||||
| 424 | S | 28.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 70% | 0.699 | 85% | 0.846 | S | S | * | * | trans | -91.9 | 142.6 | 158.4 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 425 | S | 31.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 78% | 0.783 | 85% | 0.847 | S | S | * | * | trans | -151.9 | 123.7 | 157.7 | -74.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 426 | N | 37.1 | Very low | 31.1 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | trans | -61.9 | 150.7 | 171.5 | -71.5 | -29.1 | 0 | 0 | 0 | 111.8 | ||||
| 427 | N | 32.7 | Very low | 31.3 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 91% | 0.914 | 85% | 0.852 | S | S | * | * | -162.9 | 142.4 | 127.8 | -99.2 | -22.3 | 0 | 0 | 0 | 112.6 | |||||
| 428 | L | 36.3 | Very low | 31.5 | Very low | 157 Ų | 157 | 161.1 Ų | 161.1 | 82% | 0.822 | 86% | 0.86 | S | S | * | * | trans | -93.2 | 164.8 | 176.6 | -118.8 | 128.3 | 0 | 0 | 0 | 109.9 | ||||
| 429 | Q | 36.1 | Very low | 31.9 | Very low | 185 Ų | 185 | 158.6 Ų | 158.6 | 86% | 0.864 | 86% | 0.857 | S | S | * | * | trans | 74.4 | 133.8 | 175.1 | -64.6 | 173 | -38.4 | 0 | 0 | 115.3 | ||||
| 430 | E | 37.4 | Very low | 32.1 | Very low | 271 Ų | 271 | 160.6 Ų | 160.6 | 100% | 1.266 | 86% | 0.859 | S | S | * | * | cis | -109.9 | 0 | 20.9 | -81.8 | 171.1 | 123.3 | 0 | 0 | 116.2 |
Retrieved 430 of 430 residues in 90.2 ms
(Link to these results)