| 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 | 36.4 | Very low | 36.8 | Very low | 231 Ų | 231 | 159.8 Ų | 159.8 | 100% | 1.138 | 84% | 0.838 | S | S | * | * | 0 | 115.6 | 0 | -76.3 | 176.9 | -167.1 | 0 | 0 | 108.4 | |||||
| 2 | D | 33.4 | Very low | 37 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | cis | -154.4 | 140.3 | -25.5 | -94.2 | -43.1 | 0 | 0 | 0 | 105.3 | Q4 | D2-Q4 PolarHBondContact O-N 3.43Š| ||
| 3 | I | 32 | Very low | 37.1 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 77% | 0.774 | 83% | 0.832 | S | S | * | * | trans | -77.3 | 113 | 176.2 | -66.8 | 163.8 | 0 | 0 | 0 | 106.6 | M5 | I3-M5 HydrophobicContact CG2-CG 4.16Å; I3-M5 PolarHBondContact O-N 3.42Å | ||
| 4 | Q | 34.4 | Very low | 37.2 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -90.6 | 99.1 | 166.1 | -93.9 | -175.3 | -26 | 0 | 0 | 109.8 | D2 | D2-Q4 PolarHBondContact O-N 3.43Š| ||
| 5 | M | 37.9 | Very low | 37.4 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | trans | -69.9 | 124.8 | 162.2 | -71.6 | -168 | -117.2 | 0 | 0 | 109.6 | I3 N7 | I3-M5 HydrophobicContact CG2-CG 4.16Å; I3-M5 PolarHBondContact O-N 3.42Å; M5-N7 PolarHBondContact O-N 3.47Å | ||
| 6 | A | 37.8 | Very low | 37.6 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -74.8 | 99.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N8 | A6-N8 PolarHBondContact O-N 3.45Š| ||
| 7 | N | 39.7 | Very low | 37.9 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 67% | 0.674 | 82% | 0.823 | S | S | * | * | trans | -87.4 | 99.9 | 167.6 | -82 | -13.5 | 0 | 0 | 0 | 109.4 | M5 F9 | M5-N7 PolarHBondContact O-N 3.47Å; N7-F9 VanDerWaalsContact C-N 3.28Å; N7-F9 HydrophobicContact CB-CD2 4.32Å; N7-F9 PolarHBondContact O-N 3.47Å | ||
| 8 | N | 37.3 | Very low | 38.3 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 82.7 | 164 | -94.7 | -11.6 | 0 | 0 | 0 | 109.5 | A6 T10 | A6-N8 PolarHBondContact O-N 3.45Å; N8-T10 PolarHBondContact O-N 3.2Å | ||
| 9 | F | 38.3 | Very low | 38.9 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | trans | -83.9 | 103.9 | 161 | -97 | -85.8 | 0 | 0 | 0 | 108.7 | N7 M11 | N7-F9 VanDerWaalsContact C-N 3.28Å; N7-F9 HydrophobicContact CB-CD2 4.32Å; N7-F9 PolarHBondContact O-N 3.47Å; F9-M11 PolarHBondContact O-N 3.19Å; F9-M11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | T | 41.1 | Very low | 40 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -61.7 | 106.2 | 163.7 | -11.9 | 0 | 0 | 0 | 0 | 107.3 | N8 | N8-T10 PolarHBondContact O-N 3.2Š| ||
| 11 | M | 36.8 | Very low | 41.8 | Very low | 173 Ų | 173 | 140 Ų | 140 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -62.9 | 136.9 | 167.4 | -76.4 | -156.6 | 174.4 | 0 | 0 | 108.6 | F9 S13 | F9-M11 PolarHBondContact O-N 3.19Å; F9-M11 VanDerWaalsContact O-N 3.09Å; M11-S13 PolarHBondContact O-N 3.2Å; M11-S13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | P | 38.5 | Very low | 43.9 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -60 | 122.8 | 168.1 | -9.2 | 22.2 | 0 | 0 | 0 | 107.3 | A14 | P12-A14 PolarHBondContact O-N 2.96Å; P12-A14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | S | 39.1 | Very low | 46.3 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | trans | -45.6 | 119.3 | 168.6 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | M11 | M11-S13 PolarHBondContact O-N 3.2Å; M11-S13 VanDerWaalsContact O-N 3.14Å | ||
| 14 | A | 38.2 | Very low | 48.7 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 136.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P12 | P12-A14 PolarHBondContact O-N 2.96Å; P12-A14 VanDerWaalsContact O-N 3.1Å |
| 15 | P | 39.4 | Very low | 50.9 | Low | 107 Ų | 107 | 113.5 Ų | 113.5 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.4 | 174.8 | 24.6 | -31.3 | 0 | 0 | 0 | 108.5 | Q17 | P15-Q17 PolarHBondContact O-N 3.29Š|
| 16 | P | 41.3 | Very low | 53.1 | Low | 127 Ų | 127 | 107.5 Ų | 107.5 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 117.8 | -177.8 | 22.6 | -31 | 0 | 0 | 0 | 109.3 | G18 | P16-G18 PolarHBondContact O-N 3.02Š|
| 17 | Q | 43.3 | Very low | 55.2 | Low | 206 Ų | 206 | 105.5 Ų | 105.5 | 96% | 0.963 | 61% | 0.611 | S | S | * | * | trans | -71 | 80.4 | 167.7 | -73.9 | -177.8 | -4.9 | 0 | 0 | 108.6 | P15 | P15-Q17 PolarHBondContact O-N 3.29Š| ||
| 18 | G | 44.4 | Very low | 57.5 | Low | 56 Ų | 56 | 103 Ų | 103 | 58% | 0.577 | 60% | 0.604 | S | S | * | * | trans | -139.2 | 97.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | P16 D20 | P16-G18 PolarHBondContact O-N 3.02Å; G18-D20 PolarHBondContact O-N 2.75Å | ||
| 19 | N | 49.2 | Very low | 59.9 | Low | 174 Ų | 174 | 99.4 Ų | 99.4 | 93% | 0.93 | 59% | 0.588 | S | S | * | * | trans | -70.3 | 74.7 | 173.2 | -85.6 | -14.4 | 0 | 0 | 0 | 109.4 | C21 | N19-C21 PolarHBondContact O-N 3.48Š| ||
| 20 | D | 62.2 | Low | 62.4 | Low | 158 Ų | 158 | 91.1 Ų | 91.1 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | trans | -79.2 | 109.2 | 166.5 | -156.4 | 15.4 | 0 | 0 | 0 | 108 | G18 D22 | G18-D20 PolarHBondContact O-N 2.75Å; D20-D22 PolarHBondContact O-N 3.5Å | ||
| 21 | C | 76.4 | Confident | 64.8 | Low | 34 Ų | 34 | 90.8 Ų | 90.8 | 23% | 0.23 | 54% | 0.536 | C | S | . | . | trans | -88.4 | 94.9 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | N19 L23 C280 | N19-C21 PolarHBondContact O-N 3.48Å; C21-L23 PolarHBondContact O-N 3.31Å; C21-C280 WeakPolarHBondContact CA-SG 3.27Å; C21-C280 HydrophobicContact CB-CB 3.74Å; C21-C280 WeakPolarHBondContact CB-SG 3.27Å; C21-C280 WeakPolarHBondContact SG-CA 3.31Å; C21-C280 WeakPolarHBondContact SG-CB 3.45Å; C21-C280 CovalentContact SG-SG 2.03Å; C21-C280 PolarHBondContact SG-SG 3.34Å | ||
| 22 | D | 81.4 | Confident | 67.5 | Low | 86 Ų | 86 | 87.9 Ų | 87.9 | 46% | 0.46 | 52% | 0.523 | S | S | . | . | trans | -73 | 93.5 | 177.3 | -175.1 | 9.2 | 0 | 0 | 0 | 111.5 | D20 Y24 A25 H284 | D20-D22 PolarHBondContact O-N 3.5Å; D22-Y24 PolarHBondContact O-N 3.09Å; D22-Y24 WeakPolarHBondContact OD1-CA 3.2Å; D22-Y24 WeakPolarHBondContact OD1-CB 3.35Å; D22-Y24 PolarHBondContact OD1-N 3.18Å; D22-A25 PolarHBondContact OD1-N 3.32Å; D22-H284 PolarHBondContact O-CD2 3.3Å | ||
| 23 | L | 83.4 | Confident | 70.2 | Confident | 20 Ų | 20 | 85.9 Ų | 85.9 | 11% | 0.105 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -7 | 175.1 | -63.8 | 179.7 | 0 | 0 | 0 | 113.4 | C21 H26 P185 R283 H284 Q287 | C21-L23 PolarHBondContact O-N 3.31Å; L23-H26 PolarHBondContact O-CE1 3.23Å; L23-P185 HydrophobicContact CD1-CB 4.26Å; L23-P185 HydrophobicContact CD1-CG 3.51Å; L23-R283 HydrophobicContact CD2-CB 3.69Å; L23-H284 HydrophobicContact CD2-CB 4.11Å; L23-Q287 HydrophobicContact CB-CG 4.37Å; L23-Q287 WeakPolarHBondContact O-CG 3.46Å |
| 24 | Y | 82.8 | Confident | 72.8 | Confident | 5 Ų | 5 | 81.2 Ų | 81.2 | 2% | 0.02 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 17.8 | -177.4 | -58.5 | -82.1 | 0 | 0 | 0 | 112.5 | D22 H26 H27 F95 E175 T180 E183 | D22-Y24 PolarHBondContact O-N 3.09Å; D22-Y24 WeakPolarHBondContact OD1-CA 3.2Å; D22-Y24 WeakPolarHBondContact OD1-CB 3.35Å; D22-Y24 PolarHBondContact OD1-N 3.18Å; Y24-H26 PolarHBondContact O-N 3.41Å; Y24-H26 VanDerWaalsContact O-N 3.07Å; Y24-H27 WeakPolarHBondContact O-CA 3.39Å; Y24-H27 WeakPolarHBondContact O-CB 3.45Å; Y24-H27 PolarHBondContact O-N 3.26Å; Y24-F95 HydrophobicContact CD1-CD1 4.15Å; Y24-F95 HydrophobicContact CD1-CE1 4.37Å; Y24-F95 HydrophobicContact CD1-CG 4.48Å; Y24-F95 HydrophobicContact CE1-CD1 4.23Å; Y24-E175 HydrophobicContact CE2-CG 4.02Å; Y24-T180 HydrophobicContact CE1-CG2 4.16Å; Y24-T180 HydrophobicContact CE2-CG2 4.44Å; Y24-E183 HydrophobicContact CE1-CB 4.47Å; Y24-E183 HydrophobicContact CE1-CG 4.07Å; Y24-E183 WeakPolarHBondContact OH-CB 3.37Å |
| 25 | A | 80.6 | Confident | 75.6 | Confident | 58 Ų | 58 | 78 Ų | 78 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D22 H27 | D22-A25 PolarHBondContact OD1-N 3.32Å; A25-H27 PolarHBondContact O-N 3.15Å |
| 26 | H | 83.6 | Confident | 78.3 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 14% | 0.144 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 9.3 | 174.7 | 65.6 | -66.5 | 0 | 0 | 0 | 114.4 | L23 Y24 S28 T29 A30 I288 H291 | L23-H26 PolarHBondContact O-CE1 3.23Å; Y24-H26 PolarHBondContact O-N 3.41Å; Y24-H26 VanDerWaalsContact O-N 3.07Å; H26-S28 VanDerWaalsContact C-N 3.28Å; H26-S28 PolarHBondContact O-N 2.81Å; H26-T29 PolarHBondContact O-N 3.23Å; H26-A30 WeakPolarHBondContact O-CB 3.49Å; H26-A30 PolarHBondContact O-N 3.38Å; H26-I288 HydrophobicContact CB-CD1 4.4Å; H26-I288 HydrophobicContact CB-CG1 4.44Å; H26-H291 AromaticContact CD2-ND1 3.81Å; H26-H291 AromaticContact CE1-CE1 3.9Å; H26-H291 AromaticContact CE1-ND1 3.81Å; H26-H291 AromaticContact NE2-CE1 3.3Å; H26-H291 PolarHBondContact NE2-CE1 3.33Å; H26-H291 VanDerWaalsContact NE2-CE1 3.3Å; H26-H291 AromaticContact NE2-CG 3.99Å; H26-H291 AromaticContact NE2-ND1 2.86Å; H26-H291 PolarHBondContact NE2-ND1 2.91Å |
| 27 | H | 83.3 | Confident | 80.9 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 27% | 0.269 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -51.7 | -42.7 | -177.3 | 143.2 | -101.9 | 0 | 0 | 0 | 113.3 | Y24 A25 T29 A30 R31 F95 | Y24-H27 WeakPolarHBondContact O-CA 3.39Å; Y24-H27 WeakPolarHBondContact O-CB 3.45Å; Y24-H27 PolarHBondContact O-N 3.26Å; A25-H27 PolarHBondContact O-N 3.15Å; H27-T29 PolarHBondContact O-N 3.15Å; H27-A30 PolarHBondContact O-N 2.9Å; H27-R31 VanDerWaalsContact O-CB 3.27Å; H27-R31 WeakPolarHBondContact O-CB 3.45Å; H27-R31 PolarHBondContact O-N 2.92Å; H27-F95 HydrophobicContact CB-CD2 4.3Å; H27-F95 HydrophobicContact CB-CE2 4.1Å; H27-F95 AromaticContact CD2-CD2 3.86Å |
| 28 | S | 86 | Confident | 83.4 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | -177.4 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | H26 | H26-S28 VanDerWaalsContact C-N 3.28Å; H26-S28 PolarHBondContact O-N 2.81Å |
| 29 | T | 89.6 | Confident | 86 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.5 | -45.6 | 175.6 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | H26 H27 R31 I32 V33 | H26-T29 PolarHBondContact O-N 3.23Å; H27-T29 PolarHBondContact O-N 3.15Å; T29-R31 VanDerWaalsContact C-N 3.29Å; T29-R31 PolarHBondContact O-N 3.39Å; T29-I32 PolarHBondContact O-N 3.29Å; T29-I32 VanDerWaalsContact O-N 3.12Å; T29-V33 HydrophobicContact CG2-CG2 3.9Å; T29-V33 WeakPolarHBondContact O-CG2 3.47Å; T29-V33 PolarHBondContact O-N 3.11Å |
| 30 | A | 89.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -33.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H26 H27 I32 M34 P35 F95 | H26-A30 WeakPolarHBondContact O-CB 3.49Å; H26-A30 PolarHBondContact O-N 3.38Å; H27-A30 PolarHBondContact O-N 2.9Å; A30-I32 PolarHBondContact O-N 3.42Å; A30-I32 VanDerWaalsContact O-N 3.16Å; A30-M34 HydrophobicContact CB-CG 4.08Å; A30-M34 WeakPolarHBondContact O-CB 3.25Å; A30-M34 VanDerWaalsContact O-CG 3.3Å; A30-M34 WeakPolarHBondContact O-CG 3.48Å; A30-M34 PolarHBondContact O-N 3.27Å; A30-P35 WeakPolarHBondContact O-CD 3.33Å; A30-F95 HydrophobicContact CB-CE2 3.77Å; A30-F95 HydrophobicContact CB-CZ 3.58Å |
| 31 | R | 92.9 | Very high | 89.9 | Confident | 126 Ų | 126 | 52.2 Ų | 52.2 | 48% | 0.475 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.6 | -21.2 | 175.7 | -179.6 | 170.7 | -172.5 | -169.6 | 1.4 | 113.7 | H27 T29 P35 Y91 A92 | H27-R31 VanDerWaalsContact O-CB 3.27Å; H27-R31 WeakPolarHBondContact O-CB 3.45Å; H27-R31 PolarHBondContact O-N 2.92Å; T29-R31 VanDerWaalsContact C-N 3.29Å; T29-R31 PolarHBondContact O-N 3.39Å; R31-P35 WeakPolarHBondContact O-CD 3.47Å; R31-P35 VanDerWaalsContact O-CG 3.26Å; R31-P35 WeakPolarHBondContact O-CG 3.34Å; R31-Y91 WeakPolarHBondContact CA-O 3.25Å; R31-Y91 WeakPolarHBondContact CG-O 3.33Å; R31-A92 PolarHBondContact NE-O 2.97Å; R31-A92 PolarHBondContact NH2-O 2.8Å |
| 32 | I | 93.3 | Very high | 90.9 | Very high | 112 Ų | 112 | 53.6 Ų | 53.6 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -103.7 | -52.3 | 178.1 | -57.5 | 174.5 | 0 | 0 | 0 | 110.2 | T29 A30 P35 L36 | T29-I32 PolarHBondContact O-N 3.29Å; T29-I32 VanDerWaalsContact O-N 3.12Å; A30-I32 PolarHBondContact O-N 3.42Å; A30-I32 VanDerWaalsContact O-N 3.16Å; I32-P35 WeakPolarHBondContact O-CD 3.48Å; I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.24Å; I32-L36 PolarHBondContact O-N 3.46Å |
| 33 | V | 94.5 | Very high | 91.6 | Very high | 81 Ų | 81 | 54.5 Ų | 54.5 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | -172.7 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | T29 L36 H37 | T29-V33 HydrophobicContact CG2-CG2 3.9Å; T29-V33 WeakPolarHBondContact O-CG2 3.47Å; T29-V33 PolarHBondContact O-N 3.11Å; V33-L36 PolarHBondContact O-N 2.99Å; V33-H37 WeakPolarHBondContact O-CB 3.36Å; V33-H37 PolarHBondContact O-N 2.88Å |
| 34 | M | 94 | Very high | 92.1 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.4 | -49.9 | -177.5 | -61.9 | -65.6 | -176.8 | 0 | 0 | 112.3 | A30 L36 H37 Y38 Y91 H291 C295 | A30-M34 HydrophobicContact CB-CG 4.08Å; A30-M34 WeakPolarHBondContact O-CB 3.25Å; A30-M34 VanDerWaalsContact O-CG 3.3Å; A30-M34 WeakPolarHBondContact O-CG 3.48Å; A30-M34 PolarHBondContact O-N 3.27Å; M34-L36 VanDerWaalsContact C-N 3.29Å; M34-L36 PolarHBondContact O-N 3.25Å; M34-H37 PolarHBondContact O-N 3.49Å; M34-Y38 HydrophobicContact CB-CD2 4.3Å; M34-Y38 HydrophobicContact CB-CE2 4.39Å; M34-Y38 WeakPolarHBondContact O-CD2 3.26Å; M34-Y38 PolarHBondContact O-N 2.9Å; M34-Y38 HydrophobicContact SD-CE2 4.31Å; M34-Y91 HydrophobicContact CB-CD1 3.88Å; M34-Y91 HydrophobicContact CB-CD2 3.48Å; M34-Y91 VanDerWaalsContact CB-CD2 3.48Å; M34-Y91 HydrophobicContact CB-CE1 4.24Å; M34-Y91 HydrophobicContact CB-CE2 3.87Å; M34-Y91 HydrophobicContact CB-CG 3.47Å; M34-Y91 VanDerWaalsContact CB-CG 3.47Å; M34-Y91 HydrophobicContact CG-CD1 3.92Å; M34-Y91 HydrophobicContact CG-CD2 4.19Å; M34-Y91 HydrophobicContact CG-CE1 3.92Å; M34-Y91 HydrophobicContact CG-CE2 4.19Å; M34-Y91 HydrophobicContact CG-CG 4.05Å; M34-H291 HydrophobicContact CE-CB 3.53Å; M34-C295 PolarHBondContact SD-SG 2.91Å |
| 35 | P | 96.2 | Very high | 92.7 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.104 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -40.6 | 175.3 | -30.3 | 40.6 | 0 | 0 | 0 | 113.2 | A30 R31 I32 S39 I88 A92 | A30-P35 WeakPolarHBondContact O-CD 3.33Å; R31-P35 WeakPolarHBondContact O-CD 3.47Å; R31-P35 VanDerWaalsContact O-CG 3.26Å; R31-P35 WeakPolarHBondContact O-CG 3.34Å; I32-P35 WeakPolarHBondContact O-CD 3.48Å; P35-S39 WeakPolarHBondContact O-CB 3.4Å; P35-S39 PolarHBondContact O-N 2.93Å; P35-S39 PolarHBondContact O-OG 3.42Å; P35-I88 HydrophobicContact CB-CG2 4.02Å; P35-A92 HydrophobicContact CG-CB 4.03Å |
| 36 | L | 96.4 | Very high | 93.4 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.7 | -48.2 | 177.3 | -71.4 | 174.1 | 0 | 0 | 0 | 111.7 | I32 V33 M34 S39 L40 | I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.24Å; I32-L36 PolarHBondContact O-N 3.46Å; V33-L36 PolarHBondContact O-N 2.99Å; M34-L36 VanDerWaalsContact C-N 3.29Å; M34-L36 PolarHBondContact O-N 3.25Å; L36-S39 PolarHBondContact O-N 3.15Å; L36-L40 PolarHBondContact O-N 3.02Å |
| 37 | H | 96.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 58.7 Ų | 58.7 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -52.8 | 176.4 | 176.7 | 71.9 | 0 | 0 | 0 | 111.6 | V33 M34 S39 L40 V41 C295 | V33-H37 WeakPolarHBondContact O-CB 3.36Å; V33-H37 PolarHBondContact O-N 2.88Å; M34-H37 PolarHBondContact O-N 3.49Å; H37-S39 VanDerWaalsContact C-N 3.29Å; H37-S39 PolarHBondContact O-N 3.29Å; H37-L40 WeakPolarHBondContact O-CB 3.32Å; H37-L40 PolarHBondContact O-N 3.45Å; H37-L40 VanDerWaalsContact O-N 3.15Å; H37-V41 WeakPolarHBondContact O-CG2 3.45Å; H37-V41 PolarHBondContact O-N 2.75Å; H37-C295 WeakPolarHBondContact NE2-CB 3.4Å; H37-C295 PolarHBondContact NE2-O 2.85Å |
| 38 | Y | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.3 | -29.1 | -178.6 | -75.7 | -65.6 | 0 | 0 | 0 | 112.9 | M34 V41 F42 L84 R87 I88 Y91 F111 N298 | M34-Y38 HydrophobicContact CB-CD2 4.3Å; M34-Y38 HydrophobicContact CB-CE2 4.39Å; M34-Y38 WeakPolarHBondContact O-CD2 3.26Å; M34-Y38 PolarHBondContact O-N 2.9Å; M34-Y38 HydrophobicContact SD-CE2 4.31Å; Y38-V41 PolarHBondContact O-N 2.91Å; Y38-F42 VanDerWaalsContact O-CB 3.23Å; Y38-F42 WeakPolarHBondContact O-CB 3.34Å; Y38-F42 PolarHBondContact O-N 3.4Å; Y38-L84 HydrophobicContact CD1-CD2 3.44Å; Y38-L84 VanDerWaalsContact CD1-CD2 3.44Å; Y38-L84 HydrophobicContact CE1-CD2 3.94Å; Y38-L84 HydrophobicContact CG-CD2 4.34Å; Y38-R87 HydrophobicContact CD2-CG 4.32Å; Y38-R87 HydrophobicContact CE2-CG 4.09Å; Y38-I88 VanDerWaalsContact CB-CG1 3.48Å; Y38-Y91 HydrophobicContact CD2-CD2 4.07Å; Y38-Y91 AromaticContact CD2-CE2 3.95Å; Y38-Y91 HydrophobicContact CD2-CE2 3.95Å; Y38-Y91 AromaticContact CE2-CD2 3.99Å; Y38-Y91 HydrophobicContact CE2-CD2 3.99Å; Y38-Y91 AromaticContact CE2-CE2 3.39Å; Y38-Y91 HydrophobicContact CE2-CE2 3.39Å; Y38-F111 HydrophobicContact CE1-CE1 4.42Å; Y38-N298 HydrophobicContact CE1-CB 4.12Å; Y38-N298 PolarHBondContact OH-ND2 3.39Å |
| 39 | S | 97.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 53 Ų | 53 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | P35 L36 H37 F42 I43 | P35-S39 WeakPolarHBondContact O-CB 3.4Å; P35-S39 PolarHBondContact O-N 2.93Å; P35-S39 PolarHBondContact O-OG 3.42Å; L36-S39 PolarHBondContact O-N 3.15Å; H37-S39 VanDerWaalsContact C-N 3.29Å; H37-S39 PolarHBondContact O-N 3.29Å; S39-F42 WeakPolarHBondContact O-CB 3.33Å; S39-F42 PolarHBondContact O-N 3.24Å; S39-I43 WeakPolarHBondContact O-CG1 3.4Å; S39-I43 PolarHBondContact O-N 3.41Å |
| 40 | L | 96.5 | Very high | 95 | Very high | 88 Ų | 88 | 52.7 Ų | 52.7 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 173.7 | -178.6 | 68 | 0 | 0 | 0 | 110.9 | L36 H37 F42 I43 I44 | L36-L40 PolarHBondContact O-N 3.02Å; H37-L40 WeakPolarHBondContact O-CB 3.32Å; H37-L40 PolarHBondContact O-N 3.45Å; H37-L40 VanDerWaalsContact O-N 3.15Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.9Å; L40-I43 PolarHBondContact O-N 3.16Å; L40-I44 HydrophobicContact CD1-CD1 3.54Å; L40-I44 HydrophobicContact CD1-CG1 4.15Å; L40-I44 HydrophobicContact CG-CD1 3.8Å; L40-I44 WeakPolarHBondContact O-CB 3.42Å; L40-I44 WeakPolarHBondContact O-CG1 3.36Å; L40-I44 PolarHBondContact O-N 2.89Å |
| 41 | V | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | H37 Y38 G45 F80 L84 F299 C301 | H37-V41 WeakPolarHBondContact O-CG2 3.45Å; H37-V41 PolarHBondContact O-N 2.75Å; Y38-V41 PolarHBondContact O-N 2.91Å; V41-G45 VanDerWaalsContact O-CA 3.28Å; V41-G45 WeakPolarHBondContact O-CA 3.35Å; V41-G45 PolarHBondContact O-N 3.47Å; V41-F80 HydrophobicContact CG1-CE1 4.08Å; V41-L84 HydrophobicContact CB-CD1 4.12Å; V41-L84 HydrophobicContact CG1-CD1 3.68Å; V41-F299 HydrophobicContact CG2-CD2 4.02Å; V41-C301 VanDerWaalsContact CG1-SG 3.51Å |
| 42 | F | 97.4 | Very high | 95 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -52.4 | 175.9 | 172.9 | -109 | 0 | 0 | 0 | 111.7 | Y38 S39 L40 L46 T81 L84 P85 I88 | Y38-F42 VanDerWaalsContact O-CB 3.23Å; Y38-F42 WeakPolarHBondContact O-CB 3.34Å; Y38-F42 PolarHBondContact O-N 3.4Å; S39-F42 WeakPolarHBondContact O-CB 3.33Å; S39-F42 PolarHBondContact O-N 3.24Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.9Å; F42-L46 HydrophobicContact CE2-CD2 3.72Å; F42-L46 HydrophobicContact CZ-CD2 3.74Å; F42-L46 WeakPolarHBondContact O-CB 3.14Å; F42-L46 PolarHBondContact O-N 3.49Å; F42-T81 WeakPolarHBondContact CD2-O 3.31Å; F42-T81 WeakPolarHBondContact CE2-O 3.49Å; F42-L84 HydrophobicContact CB-CB 4.32Å; F42-L84 HydrophobicContact CB-CD1 3.98Å; F42-L84 HydrophobicContact CD2-CB 4.37Å; F42-P85 HydrophobicContact CD2-CG 4.33Å; F42-P85 HydrophobicContact CE2-CG 4.04Å; F42-P85 HydrophobicContact CZ-CG 4.46Å; F42-I88 HydrophobicContact CB-CD1 4.43Å |
| 43 | I | 95.8 | Very high | 94.9 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 53% | 0.533 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.1 | -52.4 | -177.2 | -65.5 | 166.7 | 0 | 0 | 0 | 110.7 | S39 L40 V47 | S39-I43 WeakPolarHBondContact O-CG1 3.4Å; S39-I43 PolarHBondContact O-N 3.41Å; L40-I43 PolarHBondContact O-N 3.16Å; I43-V47 VanDerWaalsContact O-CB 3.3Å; I43-V47 WeakPolarHBondContact O-CB 3.27Å; I43-V47 WeakPolarHBondContact O-CG2 3.44Å; I43-V47 PolarHBondContact O-N 2.99Å; I43-V47 VanDerWaalsContact O-N 3.14Å |
| 44 | I | 94.8 | Very high | 94.8 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.5 | -49.2 | -176.4 | -64 | 177.9 | 0 | 0 | 0 | 110.3 | L40 G48 C302 | L40-I44 HydrophobicContact CD1-CD1 3.54Å; L40-I44 HydrophobicContact CD1-CG1 4.15Å; L40-I44 HydrophobicContact CG-CD1 3.8Å; L40-I44 WeakPolarHBondContact O-CB 3.42Å; L40-I44 WeakPolarHBondContact O-CG1 3.36Å; L40-I44 PolarHBondContact O-N 2.89Å; I44-G48 PolarHBondContact O-N 2.98Å; I44-C302 HydrophobicContact CB-CB 4.48Å; I44-C302 HydrophobicContact CG2-CB 3.8Å |
| 45 | G | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -50.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V41 N49 | V41-G45 VanDerWaalsContact O-CA 3.28Å; V41-G45 WeakPolarHBondContact O-CA 3.35Å; V41-G45 PolarHBondContact O-N 3.47Å; G45-N49 VanDerWaalsContact O-CB 3.22Å; G45-N49 WeakPolarHBondContact O-CB 3.34Å; G45-N49 PolarHBondContact O-N 2.98Å; G45-N49 PolarHBondContact O-ND2 2.96Å |
| 46 | L | 95.6 | Very high | 94 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -48.3 | -176.8 | -174.9 | 62.6 | 0 | 0 | 0 | 111.3 | F42 L50 T82 | F42-L46 HydrophobicContact CE2-CD2 3.72Å; F42-L46 HydrophobicContact CZ-CD2 3.74Å; F42-L46 WeakPolarHBondContact O-CB 3.14Å; F42-L46 PolarHBondContact O-N 3.49Å; L46-L50 HydrophobicContact CD1-CD1 3.84Å; L46-L50 HydrophobicContact CD1-CG 4.04Å; L46-L50 HydrophobicContact CG-CD1 3.81Å; L46-L50 HydrophobicContact CG-CG 4.38Å; L46-L50 VanDerWaalsContact O-CB 3.26Å; L46-L50 WeakPolarHBondContact O-CB 2.85Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 2.86Å; L46-T82 HydrophobicContact CD1-CG2 4.41Å |
| 47 | V | 93.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 41 Ų | 41 | 57% | 0.57 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.2 | -45.8 | -179.3 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | I43 L51 | I43-V47 VanDerWaalsContact O-CB 3.3Å; I43-V47 WeakPolarHBondContact O-CB 3.27Å; I43-V47 WeakPolarHBondContact O-CG2 3.44Å; I43-V47 PolarHBondContact O-N 2.99Å; I43-V47 VanDerWaalsContact O-N 3.14Å; V47-L51 WeakPolarHBondContact O-CB 3.23Å; V47-L51 PolarHBondContact O-N 3.08Å |
| 48 | G | 92.2 | Very high | 93.1 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I44 A52 | I44-G48 PolarHBondContact O-N 2.98Å; G48-A52 PolarHBondContact O-N 2.98Å |
| 49 | N | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.1 | -37 | -178.4 | -72.2 | -60.8 | 0 | 0 | 0 | 112.7 | G45 L51 A52 L53 V74 D77 I78 C301 Y308 | G45-N49 VanDerWaalsContact O-CB 3.22Å; G45-N49 WeakPolarHBondContact O-CB 3.34Å; G45-N49 PolarHBondContact O-N 2.98Å; G45-N49 PolarHBondContact O-ND2 2.96Å; N49-L51 VanDerWaalsContact C-N 3.34Å; N49-L51 PolarHBondContact O-N 3.48Å; N49-A52 WeakPolarHBondContact O-CB 3.27Å; N49-A52 PolarHBondContact O-N 3.49Å; N49-L53 PolarHBondContact O-N 3.25Å; N49-V74 HydrophobicContact CB-CG1 4.3Å; N49-V74 VanDerWaalsContact O-CG1 3.29Å; N49-V74 WeakPolarHBondContact O-CG1 3.25Å; N49-D77 HydrophobicContact CB-CB 4.16Å; N49-D77 WeakPolarHBondContact ND2-CB 3.46Å; N49-D77 PolarHBondContact OD1-OD2 3.15Å; N49-I78 HydrophobicContact CB-CG1 3.95Å; N49-C301 PolarHBondContact ND2-O 2.97Å; N49-Y308 WeakPolarHBondContact OD1-CE2 3.06Å |
| 50 | L | 94.4 | Very high | 91.4 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 41% | 0.414 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 170.9 | -74.7 | 174.6 | 0 | 0 | 0 | 111.7 | L46 A52 L53 V54 I78 | L46-L50 HydrophobicContact CD1-CD1 3.84Å; L46-L50 HydrophobicContact CD1-CG 4.04Å; L46-L50 HydrophobicContact CG-CD1 3.81Å; L46-L50 HydrophobicContact CG-CG 4.38Å; L46-L50 VanDerWaalsContact O-CB 3.26Å; L46-L50 WeakPolarHBondContact O-CB 2.85Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 2.86Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.97Å; L50-L53 PolarHBondContact O-N 3.26Å; L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 3.13Å; L50-I78 HydrophobicContact CD2-CD1 3.91Å; L50-I78 HydrophobicContact CD2-CG1 4.4Å; L50-I78 HydrophobicContact CG-CD1 4.49Å |
| 51 | L | 91.8 | Very high | 90.3 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.199 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 174.8 | 178.1 | 60.5 | 0 | 0 | 0 | 111.3 | V47 N49 V54 V55 Y315 V319 M322 | V47-L51 WeakPolarHBondContact O-CB 3.23Å; V47-L51 PolarHBondContact O-N 3.08Å; N49-L51 VanDerWaalsContact C-N 3.34Å; N49-L51 PolarHBondContact O-N 3.48Å; L51-V54 PolarHBondContact O-N 2.94Å; L51-V55 HydrophobicContact CD1-CG2 4.49Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 2.93Å; L51-Y315 HydrophobicContact CG-CE2 4.26Å; L51-V319 HydrophobicContact CD2-CG2 3.99Å; L51-M322 HydrophobicContact CD1-CE 4.33Å; L51-M322 HydrophobicContact CD1-SD 3.62Å; L51-M322 HydrophobicContact CD2-SD 4.21Å |
| 52 | A | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | G48 N49 L50 V54 V55 I56 V74 Y308 Y315 | G48-A52 PolarHBondContact O-N 2.98Å; N49-A52 WeakPolarHBondContact O-CB 3.27Å; N49-A52 PolarHBondContact O-N 3.49Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.97Å; A52-V54 PolarHBondContact O-N 3.16Å; A52-V55 PolarHBondContact O-N 3.3Å; A52-I56 VanDerWaalsContact O-CG1 3.25Å; A52-I56 WeakPolarHBondContact O-CG1 3.35Å; A52-I56 PolarHBondContact O-N 3.15Å; A52-V74 HydrophobicContact CB-CG2 3.76Å; A52-Y308 HydrophobicContact CB-CD2 3.63Å; A52-Y308 HydrophobicContact CB-CE2 4.11Å; A52-Y308 HydrophobicContact CB-CG 4.41Å; A52-Y315 VanDerWaalsContact CA-CE2 3.41Å; A52-Y315 HydrophobicContact CB-CD2 4.33Å; A52-Y315 HydrophobicContact CB-CE2 3.67Å |
| 53 | L | 91.9 | Very high | 88.5 | Confident | 48 Ų | 48 | 67 Ų | 67 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 176.6 | -171.2 | 58.7 | 0 | 0 | 0 | 111.3 | N49 L50 V55 I56 V57 V74 I78 | N49-L53 PolarHBondContact O-N 3.25Å; L50-L53 PolarHBondContact O-N 3.26Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.24Å; L53-I56 PolarHBondContact O-N 3.21Å; L53-V57 HydrophobicContact CD1-CG2 4.27Å; L53-V57 HydrophobicContact CG-CG2 4.39Å; L53-V57 WeakPolarHBondContact O-CB 3.47Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.22Å; L53-V57 PolarHBondContact O-N 3.45Å; L53-V74 HydrophobicContact CB-CG1 3.74Å; L53-V74 HydrophobicContact CD1-CG1 4.26Å; L53-V74 HydrophobicContact CG-CG1 4.47Å; L53-I78 HydrophobicContact CB-CD1 4.27Å; L53-I78 HydrophobicContact CD2-CD1 3.76Å |
| 54 | V | 90.7 | Very high | 88 | Confident | 67 Ų | 67 | 64 Ų | 64 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 178.2 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L50 L51 A52 V57 Q58 | L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 3.13Å; L51-V54 PolarHBondContact O-N 2.94Å; A52-V54 PolarHBondContact O-N 3.16Å; V54-V57 PolarHBondContact O-N 3.05Å; V54-Q58 HydrophobicContact CG1-CG 4.5Å; V54-Q58 WeakPolarHBondContact O-CB 2.63Å; V54-Q58 VanDerWaalsContact O-CG 3.27Å; V54-Q58 WeakPolarHBondContact O-CG 3.42Å; V54-Q58 PolarHBondContact O-N 2.87Å |
| 55 | V | 87.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 178.1 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | L51 A52 L53 V57 Q58 N59 Y315 K318 | L51-V55 HydrophobicContact CD1-CG2 4.49Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 2.93Å; A52-V55 PolarHBondContact O-N 3.3Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.24Å; V55-V57 VanDerWaalsContact C-N 3.33Å; V55-Q58 PolarHBondContact O-N 3.44Å; V55-N59 PolarHBondContact O-N 3.44Å; V55-N59 PolarHBondContact O-ND2 3.2Å; V55-Y315 HydrophobicContact CB-CD2 3.94Å; V55-Y315 HydrophobicContact CG1-CD2 4.06Å; V55-Y315 HydrophobicContact CG2-CD2 3.92Å; V55-Y315 HydrophobicContact CG2-CE2 4.48Å; V55-K318 HydrophobicContact CG2-CB 3.8Å; V55-K318 HydrophobicContact CG2-CG 3.74Å |
| 56 | I | 86.3 | Confident | 87.4 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 178.5 | -66.4 | 166.4 | 0 | 0 | 0 | 109 | A52 L53 Q58 N59 R60 T71 V74 | A52-I56 VanDerWaalsContact O-CG1 3.25Å; A52-I56 WeakPolarHBondContact O-CG1 3.35Å; A52-I56 PolarHBondContact O-N 3.15Å; L53-I56 PolarHBondContact O-N 3.21Å; I56-Q58 PolarHBondContact O-N 3.37Å; I56-N59 CarbonylContact O-C 3.35Å; I56-N59 PolarHBondContact O-N 2.82Å; I56-R60 PolarHBondContact O-N 3.42Å; I56-T71 WeakPolarHBondContact CG2-OG1 3.46Å; I56-V74 HydrophobicContact CD1-CG2 4.36Å |
| 57 | V | 87.2 | Confident | 87 | Confident | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | L53 V54 V55 N59 R60 | L53-V57 HydrophobicContact CD1-CG2 4.27Å; L53-V57 HydrophobicContact CG-CG2 4.39Å; L53-V57 WeakPolarHBondContact O-CB 3.47Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.22Å; L53-V57 PolarHBondContact O-N 3.45Å; V54-V57 PolarHBondContact O-N 3.05Å; V55-V57 VanDerWaalsContact C-N 3.33Å; V57-N59 PolarHBondContact O-N 3.21Å; V57-R60 HydrophobicContact CG1-CG 4.49Å; V57-R60 VanDerWaalsContact CG1-NH1 3.33Å; V57-R60 WeakPolarHBondContact O-CG 3.4Å; V57-R60 PolarHBondContact O-N 3.39Å |
| 58 | Q | 86.3 | Confident | 86.9 | Confident | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -22.6 | 175.6 | -74.9 | 172.2 | 3.4 | 0 | 0 | 112.9 | V54 V55 I56 | V54-Q58 HydrophobicContact CG1-CG 4.5Å; V54-Q58 WeakPolarHBondContact O-CB 2.63Å; V54-Q58 VanDerWaalsContact O-CG 3.27Å; V54-Q58 WeakPolarHBondContact O-CG 3.42Å; V54-Q58 PolarHBondContact O-N 2.87Å; V55-Q58 PolarHBondContact O-N 3.44Å; I56-Q58 PolarHBondContact O-N 3.37Å |
| 59 | N | 81.6 | Confident | 87 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 35% | 0.353 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 21.5 | -178.2 | -65.3 | -69.1 | 0 | 0 | 0 | 113.5 | V55 I56 V57 K61 K62 | V55-N59 PolarHBondContact O-N 3.44Å; V55-N59 PolarHBondContact O-ND2 3.2Å; I56-N59 CarbonylContact O-C 3.35Å; I56-N59 PolarHBondContact O-N 2.82Å; V57-N59 PolarHBondContact O-N 3.21Å; N59-K61 PolarHBondContact O-N 2.91Å; N59-K62 PolarHBondContact O-N 3.37Å |
| 60 | R | 77.8 | Confident | 86.8 | Confident | 156 Ų | 156 | 57.3 Ų | 57.3 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -54.1 | -32.9 | -173.9 | -55.1 | -124.6 | -81.4 | -113.1 | 0.5 | 114 | I56 V57 K62 I63 | I56-R60 PolarHBondContact O-N 3.42Å; V57-R60 HydrophobicContact CG1-CG 4.49Å; V57-R60 VanDerWaalsContact CG1-NH1 3.33Å; V57-R60 WeakPolarHBondContact O-CG 3.4Å; V57-R60 PolarHBondContact O-N 3.39Å; R60-K62 PolarHBondContact O-N 3.02Å; R60-I63 HydrophobicContact CB-CD1 4.09Å; R60-I63 WeakPolarHBondContact O-CD1 3.2Å; R60-I63 VanDerWaalsContact O-CG1 3.27Å; R60-I63 WeakPolarHBondContact O-CG1 2.95Å; R60-I63 PolarHBondContact O-N 2.8Å |
| 61 | K | 73.9 | Confident | 86.7 | Confident | 215 Ų | 215 | 54.7 Ų | 54.7 | 94% | 0.935 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -63.2 | -11.5 | 178.1 | -60.1 | -171 | 179.7 | -174.8 | 0 | 113.8 | N59 | N59-K61 PolarHBondContact O-N 2.91Š|
| 62 | K | 75.7 | Confident | 86.9 | Confident | 170 Ų | 170 | 54 Ų | 54 | 74% | 0.739 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -122.6 | 25.6 | -177.9 | -60.3 | -177.5 | -178.1 | 177.7 | 0 | 112.7 | N59 R60 N64 | N59-K62 PolarHBondContact O-N 3.37Å; R60-K62 PolarHBondContact O-N 3.02Å; K62-N64 PolarHBondContact O-N 3.21Å |
| 63 | I | 80 | Confident | 87 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 29% | 0.292 | 26% | 0.259 | S | S | . | . | trans | -62.9 | 130 | 178.2 | -70.3 | 167.9 | 0 | 0 | 0 | 110 | R60 T67 L68 I145 | R60-I63 HydrophobicContact CB-CD1 4.09Å; R60-I63 WeakPolarHBondContact O-CD1 3.2Å; R60-I63 VanDerWaalsContact O-CG1 3.27Å; R60-I63 WeakPolarHBondContact O-CG1 2.95Å; R60-I63 PolarHBondContact O-N 2.8Å; I63-T67 WeakPolarHBondContact CA-OG1 3.26Å; I63-L68 HydrophobicContact CG2-CB 4.34Å; I63-I145 HydrophobicContact CB-CD1 4.21Å; I63-I145 HydrophobicContact CG2-CD1 3.56Å | ||
| 64 | N | 85.9 | Confident | 87.2 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | trans | -123 | 178.6 | 168.4 | 61.4 | 31.8 | 0 | 0 | 0 | 110.1 | K62 T66 T67 L68 | K62-N64 PolarHBondContact O-N 3.21Å; N64-T66 PolarHBondContact O-N 3.39Å; N64-T66 WeakPolarHBondContact OD1-CB 3.45Å; N64-T66 PolarHBondContact OD1-N 3.2Å; N64-T67 PolarHBondContact N-OG1 3.29Å; N64-T67 PolarHBondContact O-N 3.05Å; N64-T67 PolarHBondContact O-OG1 3.14Å; N64-T67 PolarHBondContact OD1-N 3.18Å; N64-T67 PolarHBondContact OD1-OG1 3.41Å; N64-L68 PolarHBondContact O-N 2.7Å | ||
| 65 | S | 88.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -49.9 | -51.7 | 176.8 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | T67 L68 Y69 D128 | S65-T67 PolarHBondContact O-N 3.06Å; S65-L68 WeakPolarHBondContact O-CB 3.26Å; S65-L68 PolarHBondContact O-N 3.11Å; S65-L68 VanDerWaalsContact O-N 3.12Å; S65-Y69 VanDerWaalsContact O-CD2 3.3Å; S65-Y69 WeakPolarHBondContact O-CD2 3.29Å; S65-Y69 PolarHBondContact O-N 3.07Å; S65-D128 VanDerWaalsContact CB-OD1 3.32Å; S65-D128 WeakPolarHBondContact CB-OD1 3.34Å; S65-D128 PolarHBondContact OG-OD1 3.22Å |
| 66 | T | 87.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.4 | -51.6 | 177.9 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | N64 L68 Y69 S70 L125 D128 R129 A311 | N64-T66 PolarHBondContact O-N 3.39Å; N64-T66 WeakPolarHBondContact OD1-CB 3.45Å; N64-T66 PolarHBondContact OD1-N 3.2Å; T66-L68 PolarHBondContact O-N 2.98Å; T66-Y69 PolarHBondContact O-N 3.05Å; T66-S70 WeakPolarHBondContact O-CB 3.37Å; T66-S70 PolarHBondContact O-N 2.98Å; T66-S70 PolarHBondContact O-OG 3.14Å; T66-S70 VanDerWaalsContact O-OG 3.09Å; T66-L125 HydrophobicContact CG2-CD2 3.6Å; T66-D128 PolarHBondContact OG1-OD2 2.91Å; T66-R129 PolarHBondContact OG1-NH2 2.9Å; T66-A311 HydrophobicContact CG2-CB 4.03Å |
| 67 | T | 88.7 | Confident | 88.3 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -29.1 | -178.2 | 50 | 0 | 0 | 0 | 0 | 112.4 | I63 N64 S65 T71 | I63-T67 WeakPolarHBondContact CA-OG1 3.26Å; N64-T67 PolarHBondContact N-OG1 3.29Å; N64-T67 PolarHBondContact O-N 3.05Å; N64-T67 PolarHBondContact O-OG1 3.14Å; N64-T67 PolarHBondContact OD1-N 3.18Å; N64-T67 PolarHBondContact OD1-OG1 3.41Å; S65-T67 PolarHBondContact O-N 3.06Å; T67-T71 WeakPolarHBondContact O-CB 3.25Å; T67-T71 PolarHBondContact O-N 3.46Å; T67-T71 PolarHBondContact O-OG1 3.27Å |
| 68 | L | 91.8 | Very high | 88.8 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.8 | -46.9 | 176.2 | -175.8 | 63.7 | 0 | 0 | 0 | 111 | I63 N64 S65 T66 T71 N72 I145 A148 K149 | I63-L68 HydrophobicContact CG2-CB 4.34Å; N64-L68 PolarHBondContact O-N 2.7Å; S65-L68 WeakPolarHBondContact O-CB 3.26Å; S65-L68 PolarHBondContact O-N 3.11Å; S65-L68 VanDerWaalsContact O-N 3.12Å; T66-L68 PolarHBondContact O-N 2.98Å; L68-T71 WeakPolarHBondContact O-CB 3.17Å; L68-T71 PolarHBondContact O-N 3.03Å; L68-T71 VanDerWaalsContact O-N 3.16Å; L68-N72 PolarHBondContact O-N 3.42Å; L68-N72 VanDerWaalsContact O-N 3.17Å; L68-N72 PolarHBondContact O-ND2 3.42Å; L68-I145 HydrophobicContact CD2-CG1 4.47Å; L68-A148 HydrophobicContact CD2-CB 3.85Å; L68-K149 HydrophobicContact CD2-CB 4.46Å; L68-K149 HydrophobicContact CD2-CG 3.84Å |
| 69 | Y | 92.7 | Very high | 89.3 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 174.2 | -58 | -38.3 | 0 | 0 | 0 | 111.5 | S65 T66 T71 N72 L73 F121 C124 L125 D128 A148 V151 C152 | S65-Y69 VanDerWaalsContact O-CD2 3.3Å; S65-Y69 WeakPolarHBondContact O-CD2 3.29Å; S65-Y69 PolarHBondContact O-N 3.07Å; T66-Y69 PolarHBondContact O-N 3.05Å; Y69-T71 VanDerWaalsContact C-N 3.27Å; Y69-T71 PolarHBondContact O-N 3.14Å; Y69-N72 PolarHBondContact O-N 2.78Å; Y69-L73 PolarHBondContact O-N 3.18Å; Y69-L73 VanDerWaalsContact O-N 3.08Å; Y69-F121 HydrophobicContact CD1-CD1 4.18Å; Y69-F121 HydrophobicContact CD1-CE1 4.38Å; Y69-C124 HydrophobicContact CD1-CB 4.15Å; Y69-C124 HydrophobicContact CD2-CB 4.01Å; Y69-C124 HydrophobicContact CE1-CB 4.22Å; Y69-C124 HydrophobicContact CE2-CB 4.06Å; Y69-C124 HydrophobicContact CG-CB 4.07Å; Y69-L125 HydrophobicContact CD2-CD2 4.43Å; Y69-D128 HydrophobicContact CD2-CB 4.46Å; Y69-D128 HydrophobicContact CE2-CB 4.1Å; Y69-A148 HydrophobicContact CE1-CB 4.11Å; Y69-V151 HydrophobicContact CE1-CB 4.2Å; Y69-V151 HydrophobicContact CE1-CG1 3.94Å; Y69-C152 VanDerWaalsContact CD1-SG 3.52Å |
| 70 | S | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -33.5 | 174.8 | -60.2 | 0 | 0 | 0 | 0 | 113 | T66 L73 V74 | T66-S70 WeakPolarHBondContact O-CB 3.37Å; T66-S70 PolarHBondContact O-N 2.98Å; T66-S70 PolarHBondContact O-OG 3.14Å; T66-S70 VanDerWaalsContact O-OG 3.09Å; S70-L73 PolarHBondContact O-N 2.87Å; S70-V74 WeakPolarHBondContact O-CB 3.38Å; S70-V74 VanDerWaalsContact O-CG2 3.27Å; S70-V74 WeakPolarHBondContact O-CG2 3.34Å; S70-V74 PolarHBondContact O-N 3.36Å |
| 71 | T | 92.3 | Very high | 90.9 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | I56 T67 L68 Y69 L73 V74 I75 | I56-T71 WeakPolarHBondContact CG2-OG1 3.46Å; T67-T71 WeakPolarHBondContact O-CB 3.25Å; T67-T71 PolarHBondContact O-N 3.46Å; T67-T71 PolarHBondContact O-OG1 3.27Å; L68-T71 WeakPolarHBondContact O-CB 3.17Å; L68-T71 PolarHBondContact O-N 3.03Å; L68-T71 VanDerWaalsContact O-N 3.16Å; Y69-T71 VanDerWaalsContact C-N 3.27Å; Y69-T71 PolarHBondContact O-N 3.14Å; T71-L73 VanDerWaalsContact C-N 3.32Å; T71-V74 PolarHBondContact O-N 2.86Å; T71-I75 HydrophobicContact CG2-CD1 3.96Å; T71-I75 VanDerWaalsContact O-CG1 3.26Å; T71-I75 WeakPolarHBondContact O-CG1 3.38Å; T71-I75 PolarHBondContact O-N 3.04Å |
| 72 | N | 95.4 | Very high | 91.9 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 12% | 0.118 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 177.6 | -73.5 | -87.6 | 0 | 0 | 0 | 111.8 | L68 Y69 I75 S76 F121 C152 W156 | L68-N72 PolarHBondContact O-N 3.42Å; L68-N72 VanDerWaalsContact O-N 3.17Å; L68-N72 PolarHBondContact O-ND2 3.42Å; Y69-N72 PolarHBondContact O-N 2.78Å; N72-I75 PolarHBondContact O-N 2.91Å; N72-S76 PolarHBondContact O-N 3.07Å; N72-F121 HydrophobicContact CB-CD1 4.14Å; N72-F121 HydrophobicContact CB-CD2 3.98Å; N72-F121 HydrophobicContact CB-CE1 3.62Å; N72-F121 HydrophobicContact CB-CE2 3.45Å; N72-F121 VanDerWaalsContact CB-CE2 3.45Å; N72-F121 HydrophobicContact CB-CG 4.32Å; N72-F121 HydrophobicContact CB-CZ 3.26Å; N72-C152 PolarHBondContact ND2-SG 2.85Å; N72-C152 VanDerWaalsContact ND2-SG 3.44Å; N72-W156 HydrophobicContact CB-CZ2 4.35Å; N72-W156 PolarHBondContact OD1-NE1 3.35Å |
| 73 | L | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -51.5 | 173.9 | -169.2 | 59.9 | 0 | 0 | 0 | 111.1 | Y69 S70 T71 I75 S76 D77 G118 F121 M122 D304 Y308 | Y69-L73 PolarHBondContact O-N 3.18Å; Y69-L73 VanDerWaalsContact O-N 3.08Å; S70-L73 PolarHBondContact O-N 2.87Å; T71-L73 VanDerWaalsContact C-N 3.32Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 PolarHBondContact O-N 3.18Å; L73-S76 WeakPolarHBondContact O-CA 3.4Å; L73-S76 WeakPolarHBondContact O-CB 3.37Å; L73-S76 PolarHBondContact O-N 3.42Å; L73-D77 PolarHBondContact O-N 3.46Å; L73-G118 VanDerWaalsContact CD1-CA 3.48Å; L73-F121 HydrophobicContact CB-CB 4.38Å; L73-F121 HydrophobicContact CD1-CB 4.36Å; L73-M122 HydrophobicContact CD2-CE 4.29Å; L73-M122 HydrophobicContact CD2-CG 4.41Å; L73-D304 WeakPolarHBondContact CD2-OD2 3.18Å; L73-D304 VanDerWaalsContact CG-OD2 3.29Å; L73-D304 WeakPolarHBondContact CG-OD2 3.39Å; L73-Y308 WeakPolarHBondContact CB-OH 3.49Å; L73-Y308 HydrophobicContact CD2-CE1 4Å; L73-Y308 WeakPolarHBondContact CD2-OH 3.45Å; L73-Y308 WeakPolarHBondContact CG-OH 3.47Å |
| 74 | V | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56 | -41.7 | 175 | 167.5 | 0 | 0 | 0 | 0 | 112.6 | N49 A52 L53 I56 S70 T71 S76 D77 I78 Y308 | N49-V74 HydrophobicContact CB-CG1 4.3Å; N49-V74 VanDerWaalsContact O-CG1 3.29Å; N49-V74 WeakPolarHBondContact O-CG1 3.25Å; A52-V74 HydrophobicContact CB-CG2 3.76Å; L53-V74 HydrophobicContact CB-CG1 3.74Å; L53-V74 HydrophobicContact CD1-CG1 4.26Å; L53-V74 HydrophobicContact CG-CG1 4.47Å; I56-V74 HydrophobicContact CD1-CG2 4.36Å; S70-V74 WeakPolarHBondContact O-CB 3.38Å; S70-V74 VanDerWaalsContact O-CG2 3.27Å; S70-V74 WeakPolarHBondContact O-CG2 3.34Å; S70-V74 PolarHBondContact O-N 3.36Å; T71-V74 PolarHBondContact O-N 2.86Å; V74-S76 VanDerWaalsContact C-N 3.32Å; V74-D77 PolarHBondContact O-N 3.12Å; V74-I78 HydrophobicContact CG1-CD1 3.71Å; V74-I78 HydrophobicContact CG1-CG1 4.44Å; V74-I78 VanDerWaalsContact O-CG1 3.27Å; V74-I78 WeakPolarHBondContact O-CG1 3.4Å; V74-I78 PolarHBondContact O-N 3.27Å; V74-Y308 HydrophobicContact CG2-CD2 4.1Å; V74-Y308 HydrophobicContact CG2-CE1 4.14Å; V74-Y308 HydrophobicContact CG2-CE2 3.41Å; V74-Y308 VanDerWaalsContact CG2-CE2 3.41Å; V74-Y308 VanDerWaalsContact CG2-CZ 3.42Å; V74-Y308 WeakPolarHBondContact CG2-OH 3.35Å; V74-Y308 PolarHBondContact N-OH 2.85Å |
| 75 | I | 95.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 22.2 Ų | 22.2 | 36% | 0.359 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.2 | -71.8 | 165 | 0 | 0 | 0 | 110 | T71 N72 L73 I78 L79 | T71-I75 HydrophobicContact CG2-CD1 3.96Å; T71-I75 VanDerWaalsContact O-CG1 3.26Å; T71-I75 WeakPolarHBondContact O-CG1 3.38Å; T71-I75 PolarHBondContact O-N 3.04Å; N72-I75 PolarHBondContact O-N 2.91Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 PolarHBondContact O-N 3.18Å; I75-I78 PolarHBondContact O-N 2.98Å; I75-L79 HydrophobicContact CG2-CD1 4.18Å; I75-L79 WeakPolarHBondContact O-CG 3.42Å; I75-L79 PolarHBondContact O-N 2.93Å |
| 76 | S | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 177.9 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | N72 L73 V74 L79 F80 N114 A117 | N72-S76 PolarHBondContact O-N 3.07Å; L73-S76 WeakPolarHBondContact O-CA 3.4Å; L73-S76 WeakPolarHBondContact O-CB 3.37Å; L73-S76 PolarHBondContact O-N 3.42Å; V74-S76 VanDerWaalsContact C-N 3.32Å; S76-L79 PolarHBondContact O-N 3.42Å; S76-F80 WeakPolarHBondContact O-CB 3.48Å; S76-F80 PolarHBondContact O-N 3.27Å; S76-N114 VanDerWaalsContact OG-CA 3.32Å; S76-N114 WeakPolarHBondContact OG-CA 3.3Å; S76-A117 WeakPolarHBondContact OG-CB 3.38Å |
| 77 | D | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | 176.3 | -65.7 | -34.3 | 0 | 0 | 0 | 112.8 | N49 L73 V74 F80 T81 N114 C301 Y308 | N49-D77 HydrophobicContact CB-CB 4.16Å; N49-D77 WeakPolarHBondContact ND2-CB 3.46Å; N49-D77 PolarHBondContact OD1-OD2 3.15Å; L73-D77 PolarHBondContact O-N 3.46Å; V74-D77 PolarHBondContact O-N 3.12Å; D77-F80 PolarHBondContact O-N 2.86Å; D77-T81 WeakPolarHBondContact O-CB 3.31Å; D77-T81 VanDerWaalsContact O-CG2 3.27Å; D77-T81 WeakPolarHBondContact O-CG2 3.33Å; D77-T81 PolarHBondContact O-N 2.91Å; D77-T81 PolarHBondContact O-OG1 3.03Å; D77-N114 PolarHBondContact OD1-ND2 3.39Å; D77-C301 HydrophobicContact CB-CB 4.14Å; D77-C301 WeakPolarHBondContact OD1-CB 3.23Å; D77-Y308 PolarHBondContact OD2-OH 3.11Å |
| 78 | I | 96.6 | Very high | 95 | Very high | 28 Ų | 28 | 25 Ų | 25 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -46.1 | 175.9 | -70.5 | 165.6 | 0 | 0 | 0 | 109.8 | N49 L50 L53 V74 I75 F80 T81 T82 | N49-I78 HydrophobicContact CB-CG1 3.95Å; L50-I78 HydrophobicContact CD2-CD1 3.91Å; L50-I78 HydrophobicContact CD2-CG1 4.4Å; L50-I78 HydrophobicContact CG-CD1 4.49Å; L53-I78 HydrophobicContact CB-CD1 4.27Å; L53-I78 HydrophobicContact CD2-CD1 3.76Å; V74-I78 HydrophobicContact CG1-CD1 3.71Å; V74-I78 HydrophobicContact CG1-CG1 4.44Å; V74-I78 VanDerWaalsContact O-CG1 3.27Å; V74-I78 WeakPolarHBondContact O-CG1 3.4Å; V74-I78 PolarHBondContact O-N 3.27Å; I75-I78 PolarHBondContact O-N 2.98Å; I78-F80 VanDerWaalsContact C-N 3.32Å; I78-F80 PolarHBondContact O-N 3.16Å; I78-T81 WeakPolarHBondContact CA-OG1 3.41Å; I78-T81 PolarHBondContact O-N 3.22Å; I78-T81 PolarHBondContact O-OG1 3.39Å; I78-T81 VanDerWaalsContact O-OG1 3.06Å; I78-T82 HydrophobicContact CG2-CG2 4.35Å; I78-T82 VanDerWaalsContact O-CG2 3.3Å; I78-T82 WeakPolarHBondContact O-CG2 3.44Å; I78-T82 PolarHBondContact O-N 3.47Å; I78-T82 PolarHBondContact O-OG1 3.28Å; I78-T82 VanDerWaalsContact O-OG1 3.12Å |
| 79 | L | 96.3 | Very high | 95.2 | Very high | 89 Ų | 89 | 25.3 Ų | 25.3 | 47% | 0.466 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.5 | -47.2 | 176.3 | -71.6 | 171.6 | 0 | 0 | 0 | 111.2 | I75 S76 T82 A83 V110 | I75-L79 HydrophobicContact CG2-CD1 4.18Å; I75-L79 WeakPolarHBondContact O-CG 3.42Å; I75-L79 PolarHBondContact O-N 2.93Å; S76-L79 PolarHBondContact O-N 3.42Å; L79-T82 PolarHBondContact O-N 3.09Å; L79-T82 PolarHBondContact O-OG1 3.32Å; L79-A83 PolarHBondContact O-N 2.94Å; L79-V110 HydrophobicContact CB-CG1 4.44Å |
| 80 | F | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -51.7 | 175.9 | 168.4 | -109.8 | 0 | 0 | 0 | 113.2 | V41 S76 D77 I78 T82 A83 L84 F111 N114 N298 C301 | V41-F80 HydrophobicContact CG1-CE1 4.08Å; S76-F80 WeakPolarHBondContact O-CB 3.48Å; S76-F80 PolarHBondContact O-N 3.27Å; D77-F80 PolarHBondContact O-N 2.86Å; I78-F80 VanDerWaalsContact C-N 3.32Å; I78-F80 PolarHBondContact O-N 3.16Å; F80-T82 VanDerWaalsContact C-N 3.28Å; F80-T82 PolarHBondContact O-N 2.84Å; F80-A83 CarbonylContact O-C 3.58Å; F80-A83 WeakPolarHBondContact O-CA 3.45Å; F80-A83 WeakPolarHBondContact O-CB 3.48Å; F80-A83 PolarHBondContact O-N 2.81Å; F80-L84 HydrophobicContact CD1-CD1 4.49Å; F80-L84 HydrophobicContact CE1-CD1 3.92Å; F80-L84 HydrophobicContact CE1-CD2 4.01Å; F80-L84 HydrophobicContact CE1-CG 4.12Å; F80-L84 HydrophobicContact CE2-CD2 3.77Å; F80-L84 HydrophobicContact CE2-CG 4.39Å; F80-L84 HydrophobicContact CZ-CD1 4.2Å; F80-L84 HydrophobicContact CZ-CD2 3.42Å; F80-L84 VanDerWaalsContact CZ-CD2 3.42Å; F80-L84 HydrophobicContact CZ-CG 4.01Å; F80-L84 PolarHBondContact O-N 3.29Å; F80-L84 VanDerWaalsContact O-N 3.11Å; F80-F111 HydrophobicContact CD2-CD1 4.31Å; F80-F111 HydrophobicContact CD2-CD2 4.05Å; F80-F111 HydrophobicContact CD2-CE2 4.29Å; F80-F111 HydrophobicContact CD2-CG 4.06Å; F80-F111 AromaticContact CE2-CD1 3.61Å; F80-F111 HydrophobicContact CE2-CD1 3.61Å; F80-F111 HydrophobicContact CE2-CD2 4.1Å; F80-F111 AromaticContact CE2-CE1 3.66Å; F80-F111 HydrophobicContact CE2-CE1 3.66Å; F80-F111 HydrophobicContact CE2-CE2 4.16Å; F80-F111 AromaticContact CE2-CG 3.84Å; F80-F111 HydrophobicContact CE2-CG 3.84Å; F80-F111 AromaticContact CE2-CZ 3.95Å; F80-F111 HydrophobicContact CE2-CZ 3.95Å; F80-F111 HydrophobicContact CZ-CE1 4.44Å; F80-N114 HydrophobicContact CB-CB 3.62Å; F80-N114 HydrophobicContact CD2-CB 4.2Å; F80-N114 HydrophobicContact CG-CB 3.98Å; F80-N298 HydrophobicContact CE1-CB 4.43Å; F80-N298 HydrophobicContact CE2-CB 4.49Å; F80-N298 WeakPolarHBondContact CE2-OD1 3.09Å; F80-N298 HydrophobicContact CZ-CB 3.69Å; F80-N298 WeakPolarHBondContact CZ-OD1 3.23Å; F80-C301 HydrophobicContact CD1-CB 4.13Å; F80-C301 HydrophobicContact CE1-CB 4.35Å |
| 81 | T | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | -178.7 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | F42 D77 I78 A83 L84 P85 | F42-T81 WeakPolarHBondContact CD2-O 3.31Å; F42-T81 WeakPolarHBondContact CE2-O 3.49Å; D77-T81 WeakPolarHBondContact O-CB 3.31Å; D77-T81 VanDerWaalsContact O-CG2 3.27Å; D77-T81 WeakPolarHBondContact O-CG2 3.33Å; D77-T81 PolarHBondContact O-N 2.91Å; D77-T81 PolarHBondContact O-OG1 3.03Å; I78-T81 WeakPolarHBondContact CA-OG1 3.41Å; I78-T81 PolarHBondContact O-N 3.22Å; I78-T81 PolarHBondContact O-OG1 3.39Å; I78-T81 VanDerWaalsContact O-OG1 3.06Å; T81-A83 PolarHBondContact O-N 3.38Å; T81-L84 HydrophobicContact CG2-CD1 4.16Å; T81-L84 WeakPolarHBondContact O-CB 3.2Å; T81-L84 PolarHBondContact O-N 3.48Å; T81-P85 WeakPolarHBondContact O-CD 3.2Å |
| 82 | T | 94.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 25.2 Ų | 25.2 | 50% | 0.503 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67 | -21.9 | 173.2 | 58.2 | 0 | 0 | 0 | 0 | 114 | L46 I78 L79 F80 P85 | L46-T82 HydrophobicContact CD1-CG2 4.41Å; I78-T82 HydrophobicContact CG2-CG2 4.35Å; I78-T82 VanDerWaalsContact O-CG2 3.3Å; I78-T82 WeakPolarHBondContact O-CG2 3.44Å; I78-T82 PolarHBondContact O-N 3.47Å; I78-T82 PolarHBondContact O-OG1 3.28Å; I78-T82 VanDerWaalsContact O-OG1 3.12Å; L79-T82 PolarHBondContact O-N 3.09Å; L79-T82 PolarHBondContact O-OG1 3.32Å; F80-T82 VanDerWaalsContact C-N 3.28Å; F80-T82 PolarHBondContact O-N 2.84Å; T82-P85 WeakPolarHBondContact O-CD 3.33Å |
| 83 | A | 95.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -87.7 | -16 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L79 F80 T81 T86 V110 F111 | L79-A83 PolarHBondContact O-N 2.94Å; F80-A83 CarbonylContact O-C 3.58Å; F80-A83 WeakPolarHBondContact O-CA 3.45Å; F80-A83 WeakPolarHBondContact O-CB 3.48Å; F80-A83 PolarHBondContact O-N 2.81Å; T81-A83 PolarHBondContact O-N 3.38Å; A83-T86 PolarHBondContact O-N 3.32Å; A83-T86 PolarHBondContact O-OG1 3.07Å; A83-V110 HydrophobicContact CB-CB 4.38Å; A83-V110 HydrophobicContact CB-CG1 3.81Å; A83-F111 HydrophobicContact CB-CD2 4.41Å; A83-F111 HydrophobicContact CB-CE2 3.91Å |
| 84 | L | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.3 | -36.4 | 179.3 | -74.3 | 177.3 | 0 | 0 | 0 | 115.5 | Y38 V41 F42 F80 T81 T86 R87 I88 F111 | Y38-L84 HydrophobicContact CD1-CD2 3.44Å; Y38-L84 VanDerWaalsContact CD1-CD2 3.44Å; Y38-L84 HydrophobicContact CE1-CD2 3.94Å; Y38-L84 HydrophobicContact CG-CD2 4.34Å; V41-L84 HydrophobicContact CB-CD1 4.12Å; V41-L84 HydrophobicContact CG1-CD1 3.68Å; F42-L84 HydrophobicContact CB-CB 4.32Å; F42-L84 HydrophobicContact CB-CD1 3.98Å; F42-L84 HydrophobicContact CD2-CB 4.37Å; F80-L84 HydrophobicContact CD1-CD1 4.49Å; F80-L84 HydrophobicContact CE1-CD1 3.92Å; F80-L84 HydrophobicContact CE1-CD2 4.01Å; F80-L84 HydrophobicContact CE1-CG 4.12Å; F80-L84 HydrophobicContact CE2-CD2 3.77Å; F80-L84 HydrophobicContact CE2-CG 4.39Å; F80-L84 HydrophobicContact CZ-CD1 4.2Å; F80-L84 HydrophobicContact CZ-CD2 3.42Å; F80-L84 VanDerWaalsContact CZ-CD2 3.42Å; F80-L84 HydrophobicContact CZ-CG 4.01Å; F80-L84 PolarHBondContact O-N 3.29Å; F80-L84 VanDerWaalsContact O-N 3.11Å; T81-L84 HydrophobicContact CG2-CD1 4.16Å; T81-L84 WeakPolarHBondContact O-CB 3.2Å; T81-L84 PolarHBondContact O-N 3.48Å; L84-T86 PolarHBondContact O-N 3.19Å; L84-R87 PolarHBondContact O-N 2.88Å; L84-I88 WeakPolarHBondContact O-CG1 3.28Å; L84-I88 PolarHBondContact O-N 2.93Å; L84-F111 HydrophobicContact CD2-CE1 4.08Å; L84-F111 HydrophobicContact CD2-CZ 3.72Å |
| 85 | P | 95.6 | Very high | 95 | Very high | 59 Ų | 59 | 30.2 Ų | 30.2 | 38% | 0.383 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.5 | -34.5 | 177.5 | -29.4 | 37.3 | 0 | 0 | 0 | 114 | F42 T81 T82 R87 I88 A89 | F42-P85 HydrophobicContact CD2-CG 4.33Å; F42-P85 HydrophobicContact CE2-CG 4.04Å; F42-P85 HydrophobicContact CZ-CG 4.46Å; T81-P85 WeakPolarHBondContact O-CD 3.2Å; T82-P85 WeakPolarHBondContact O-CD 3.33Å; P85-R87 VanDerWaalsContact C-N 3.35Å; P85-I88 PolarHBondContact O-N 3.33Å; P85-A89 WeakPolarHBondContact O-CB 3.3Å; P85-A89 PolarHBondContact O-N 3.43Å |
| 86 | T | 94.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 27.8 Ų | 27.8 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.5 | -38.2 | 177.4 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | A83 L84 Y90 T107 | A83-T86 PolarHBondContact O-N 3.32Å; A83-T86 PolarHBondContact O-OG1 3.07Å; L84-T86 PolarHBondContact O-N 3.19Å; T86-Y90 WeakPolarHBondContact O-CB 3.48Å; T86-Y90 PolarHBondContact O-N 2.93Å; T86-T107 WeakPolarHBondContact OG1-CG2 3.48Å |
| 87 | R | 94.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 28 Ų | 28 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.5 | -37.1 | 176.3 | -163.1 | 72.5 | -178.7 | 163.9 | 7.1 | 112.1 | Y38 L84 P85 Y90 Y91 F111 C181 E183 | Y38-R87 HydrophobicContact CD2-CG 4.32Å; Y38-R87 HydrophobicContact CE2-CG 4.09Å; L84-R87 PolarHBondContact O-N 2.88Å; P85-R87 VanDerWaalsContact C-N 3.35Å; R87-Y90 PolarHBondContact O-N 2.8Å; R87-Y91 HydrophobicContact CG-CD2 4.05Å; R87-Y91 HydrophobicContact CG-CE2 3.66Å; R87-Y91 VanDerWaalsContact NE-CE2 3.34Å; R87-Y91 PolarHBondContact NH2-OH 3.44Å; R87-Y91 WeakPolarHBondContact O-CD2 3.37Å; R87-Y91 PolarHBondContact O-N 2.95Å; R87-F111 HydrophobicContact CB-CE1 4.18Å; R87-F111 HydrophobicContact CB-CZ 3.67Å; R87-F111 HydrophobicContact CG-CE1 4.04Å; R87-F111 HydrophobicContact CG-CZ 4.05Å; R87-C181 PolarHBondContact NH1-O 3.11Å; R87-E183 IonicContact CZ-OE1 3.11Å; R87-E183 IonicContact NH1-OE1 2.8Å; R87-E183 IonicContact NH2-OE1 2.9Å; R87-E183 PolarHBondContact NH2-OE1 3.17Å |
| 88 | I | 96 | Very high | 94.4 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 173.3 | -66.6 | 165.6 | 0 | 0 | 0 | 109.7 | P35 Y38 F42 L84 P85 Y90 Y91 A92 | P35-I88 HydrophobicContact CB-CG2 4.02Å; Y38-I88 VanDerWaalsContact CB-CG1 3.48Å; F42-I88 HydrophobicContact CB-CD1 4.43Å; L84-I88 WeakPolarHBondContact O-CG1 3.28Å; L84-I88 PolarHBondContact O-N 2.93Å; P85-I88 PolarHBondContact O-N 3.33Å; I88-Y90 PolarHBondContact O-N 3.38Å; I88-Y91 PolarHBondContact O-N 3.38Å; I88-A92 VanDerWaalsContact O-CB 3.32Å; I88-A92 WeakPolarHBondContact O-CB 3.15Å; I88-A92 PolarHBondContact O-N 3.36Å |
| 89 | A | 95.3 | Very high | 94 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P85 Y91 A92 M93 | P85-A89 WeakPolarHBondContact O-CB 3.3Å; P85-A89 PolarHBondContact O-N 3.43Å; A89-Y91 PolarHBondContact O-N 3.34Å; A89-A92 PolarHBondContact O-N 2.82Å; A89-M93 WeakPolarHBondContact O-CB 3.35Å; A89-M93 VanDerWaalsContact O-CG 3.29Å; A89-M93 WeakPolarHBondContact O-CG 3.43Å; A89-M93 PolarHBondContact O-N 2.92Å |
| 90 | Y | 95 | Very high | 93.8 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.9 | -51 | 177.1 | 168.7 | -108.5 | 0 | 0 | 0 | 113.1 | T86 R87 I88 M93 F95 W97 C181 E183 | T86-Y90 WeakPolarHBondContact O-CB 3.48Å; T86-Y90 PolarHBondContact O-N 2.93Å; R87-Y90 PolarHBondContact O-N 2.8Å; I88-Y90 PolarHBondContact O-N 3.38Å; Y90-M93 PolarHBondContact O-N 2.85Å; Y90-F95 AromaticContact CE1-CD1 3.88Å; Y90-F95 HydrophobicContact CE1-CD1 3.88Å; Y90-F95 HydrophobicContact CE1-CG 4.47Å; Y90-F95 HydrophobicContact CE2-CB 4.19Å; Y90-F95 WeakPolarHBondContact CE2-O 3.34Å; Y90-F95 AromaticContact CZ-CD1 3.84Å; Y90-F95 PolarHBondContact O-N 3.37Å; Y90-F95 VanDerWaalsContact O-N 3.1Å; Y90-F95 WeakPolarHBondContact OH-CD1 3.21Å; Y90-W97 HydrophobicContact CD2-CB 3.96Å; Y90-W97 HydrophobicContact CD2-CE3 4.08Å; Y90-W97 HydrophobicContact CE2-CB 4.12Å; Y90-W97 HydrophobicContact CG-CE3 4.35Å; Y90-C181 HydrophobicContact CD2-CB 4.46Å; Y90-C181 HydrophobicContact CE2-CB 4.08Å; Y90-C181 PolarHBondContact OH-N 3.25Å; Y90-C181 PolarHBondContact OH-O 2.95Å; Y90-E183 WeakPolarHBondContact CE1-OE1 3.49Å; Y90-E183 WeakPolarHBondContact OH-CG 3.45Å; Y90-E183 PolarHBondContact OH-OE1 2.99Å |
| 91 | Y | 94.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -38.2 | 178.3 | -71.3 | -66.3 | 0 | 0 | 0 | 112 | R31 M34 Y38 R87 I88 A89 M93 G94 F95 | R31-Y91 WeakPolarHBondContact CA-O 3.25Å; R31-Y91 WeakPolarHBondContact CG-O 3.33Å; M34-Y91 HydrophobicContact CB-CD1 3.88Å; M34-Y91 HydrophobicContact CB-CD2 3.48Å; M34-Y91 VanDerWaalsContact CB-CD2 3.48Å; M34-Y91 HydrophobicContact CB-CE1 4.24Å; M34-Y91 HydrophobicContact CB-CE2 3.87Å; M34-Y91 HydrophobicContact CB-CG 3.47Å; M34-Y91 VanDerWaalsContact CB-CG 3.47Å; M34-Y91 HydrophobicContact CG-CD1 3.92Å; M34-Y91 HydrophobicContact CG-CD2 4.19Å; M34-Y91 HydrophobicContact CG-CE1 3.92Å; M34-Y91 HydrophobicContact CG-CE2 4.19Å; M34-Y91 HydrophobicContact CG-CG 4.05Å; Y38-Y91 HydrophobicContact CD2-CD2 4.07Å; Y38-Y91 AromaticContact CD2-CE2 3.95Å; Y38-Y91 HydrophobicContact CD2-CE2 3.95Å; Y38-Y91 AromaticContact CE2-CD2 3.99Å; Y38-Y91 HydrophobicContact CE2-CD2 3.99Å; Y38-Y91 AromaticContact CE2-CE2 3.39Å; Y38-Y91 HydrophobicContact CE2-CE2 3.39Å; R87-Y91 HydrophobicContact CG-CD2 4.05Å; R87-Y91 HydrophobicContact CG-CE2 3.66Å; R87-Y91 VanDerWaalsContact NE-CE2 3.34Å; R87-Y91 PolarHBondContact NH2-OH 3.44Å; R87-Y91 WeakPolarHBondContact O-CD2 3.37Å; R87-Y91 PolarHBondContact O-N 2.95Å; I88-Y91 PolarHBondContact O-N 3.38Å; A89-Y91 PolarHBondContact O-N 3.34Å; Y91-M93 PolarHBondContact O-N 3.02Å; Y91-G94 PolarHBondContact O-N 3.01Å; Y91-F95 HydrophobicContact CD1-CD1 4.19Å; Y91-F95 AromaticContact CD1-CE1 3.71Å; Y91-F95 HydrophobicContact CD1-CE1 3.71Å; Y91-F95 HydrophobicContact CD1-CE2 4.13Å; Y91-F95 AromaticContact CD1-CZ 3.67Å; Y91-F95 HydrophobicContact CD1-CZ 3.67Å; Y91-F95 HydrophobicContact CE1-CD1 4.12Å; Y91-F95 AromaticContact CE1-CE1 3.42Å; Y91-F95 HydrophobicContact CE1-CE1 3.42Å; Y91-F95 VanDerWaalsContact CE1-CE1 3.42Å; Y91-F95 AromaticContact CE1-CZ 3.7Å; Y91-F95 HydrophobicContact CE1-CZ 3.7Å |
| 92 | A | 93.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.7 | -28.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R31 P35 I88 A89 G94 | R31-A92 PolarHBondContact NE-O 2.97Å; R31-A92 PolarHBondContact NH2-O 2.8Å; P35-A92 HydrophobicContact CG-CB 4.03Å; I88-A92 VanDerWaalsContact O-CB 3.32Å; I88-A92 WeakPolarHBondContact O-CB 3.15Å; I88-A92 PolarHBondContact O-N 3.36Å; A89-A92 PolarHBondContact O-N 2.82Å; A92-G94 VanDerWaalsContact C-N 3.28Å |
| 93 | M | 92.6 | Very high | 93.2 | Very high | 119 Ų | 119 | 43.2 Ų | 43.2 | 59% | 0.586 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | 5.2 | 174.1 | -69 | 179.3 | 178.2 | 0 | 0 | 113.6 | A89 Y90 Y91 | A89-M93 WeakPolarHBondContact O-CB 3.35Å; A89-M93 VanDerWaalsContact O-CG 3.29Å; A89-M93 WeakPolarHBondContact O-CG 3.43Å; A89-M93 PolarHBondContact O-N 2.92Å; Y90-M93 PolarHBondContact O-N 2.85Å; Y91-M93 PolarHBondContact O-N 3.02Å |
| 94 | G | 89.8 | Confident | 93.1 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y91 A92 D96 R178 | Y91-G94 PolarHBondContact O-N 3.01Å; A92-G94 VanDerWaalsContact C-N 3.28Å; G94-D96 VanDerWaalsContact C-N 3.35Å; G94-R178 PolarHBondContact O-NH1 2.95Å |
| 95 | F | 90.8 | Very high | 93 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 70.3 | 27 | -178 | -59.1 | -106.9 | 0 | 0 | 0 | 113.9 | Y24 H27 A30 Y90 Y91 H291 | Y24-F95 HydrophobicContact CD1-CD1 4.15Å; Y24-F95 HydrophobicContact CD1-CE1 4.37Å; Y24-F95 HydrophobicContact CD1-CG 4.48Å; Y24-F95 HydrophobicContact CE1-CD1 4.23Å; H27-F95 HydrophobicContact CB-CD2 4.3Å; H27-F95 HydrophobicContact CB-CE2 4.1Å; H27-F95 AromaticContact CD2-CD2 3.86Å; A30-F95 HydrophobicContact CB-CE2 3.77Å; A30-F95 HydrophobicContact CB-CZ 3.58Å; Y90-F95 AromaticContact CE1-CD1 3.88Å; Y90-F95 HydrophobicContact CE1-CD1 3.88Å; Y90-F95 HydrophobicContact CE1-CG 4.47Å; Y90-F95 HydrophobicContact CE2-CB 4.19Å; Y90-F95 WeakPolarHBondContact CE2-O 3.34Å; Y90-F95 AromaticContact CZ-CD1 3.84Å; Y90-F95 PolarHBondContact O-N 3.37Å; Y90-F95 VanDerWaalsContact O-N 3.1Å; Y90-F95 WeakPolarHBondContact OH-CD1 3.21Å; Y91-F95 HydrophobicContact CD1-CD1 4.19Å; Y91-F95 AromaticContact CD1-CE1 3.71Å; Y91-F95 HydrophobicContact CD1-CE1 3.71Å; Y91-F95 HydrophobicContact CD1-CE2 4.13Å; Y91-F95 AromaticContact CD1-CZ 3.67Å; Y91-F95 HydrophobicContact CD1-CZ 3.67Å; Y91-F95 HydrophobicContact CE1-CD1 4.12Å; Y91-F95 AromaticContact CE1-CE1 3.42Å; Y91-F95 HydrophobicContact CE1-CE1 3.42Å; Y91-F95 VanDerWaalsContact CE1-CE1 3.42Å; Y91-F95 AromaticContact CE1-CZ 3.7Å; Y91-F95 HydrophobicContact CE1-CZ 3.7Å; F95-H291 AromaticContact CE1-CE1 3.55Å; F95-H291 AromaticContact CZ-CE1 3.95Å |
| 96 | D | 92.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | trans | -106.8 | 110.5 | 179.3 | -168.5 | 17.1 | 0 | 0 | 0 | 111.5 | G94 R98 R178 I179 | G94-D96 VanDerWaalsContact C-N 3.35Å; D96-R98 IonicContact OD2-CZ 2.72Å; D96-R98 IonicContact OD2-NE 2.7Å; D96-R98 PolarHBondContact OD2-NE 3.12Å; D96-R98 IonicContact OD2-NH2 2.79Å; D96-R98 PolarHBondContact OD2-NH2 3.22Å; D96-R178 HydrophobicContact CB-CB 4.08Å; D96-I179 PolarHBondContact OD1-N 3.35Å; D96-I179 VanDerWaalsContact OD1-N 3.15Å | ||
| 97 | W | 93.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | trans | -101.2 | 93.3 | -178.1 | -176.7 | -92.5 | 0 | 0 | 0 | 111.1 | Y90 I99 G100 L103 C104 I179 C181 | Y90-W97 HydrophobicContact CD2-CB 3.96Å; Y90-W97 HydrophobicContact CD2-CE3 4.08Å; Y90-W97 HydrophobicContact CE2-CB 4.12Å; Y90-W97 HydrophobicContact CG-CE3 4.35Å; W97-I99 HydrophobicContact CH2-CD1 4.19Å; W97-I99 HydrophobicContact CZ2-CB 3.98Å; W97-I99 HydrophobicContact CZ2-CD1 4.32Å; W97-I99 HydrophobicContact CZ2-CG2 4.41Å; W97-I99 HydrophobicContact CZ3-CD1 4.38Å; W97-G100 PolarHBondContact NE1-O 2.93Å; W97-L103 HydrophobicContact CZ2-CB 3.97Å; W97-C104 HydrophobicContact CZ2-CB 4.31Å; W97-I179 WeakPolarHBondContact CA-O 3.37Å; W97-I179 HydrophobicContact CB-CG2 4.42Å; W97-I179 VanDerWaalsContact CB-O 3.25Å; W97-I179 WeakPolarHBondContact CB-O 3.35Å; W97-I179 PolarHBondContact N-O 2.98Å; W97-I179 WeakPolarHBondContact O-CB 3.41Å; W97-C181 HydrophobicContact CB-CB 3.62Å; W97-C181 HydrophobicContact CD2-CB 3.8Å; W97-C181 HydrophobicContact CE3-CB 4.13Å; W97-C181 HydrophobicContact CG-CB 3.56Å | ||
| 98 | R | 90.3 | Very high | 92.7 | Very high | 198 Ų | 198 | 44.1 Ų | 44.1 | 75% | 0.747 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1.2 | -177 | -59.4 | -172.2 | -179.6 | -163.5 | -3.4 | 115.3 | D96 | D96-R98 IonicContact OD2-CZ 2.72Å; D96-R98 IonicContact OD2-NE 2.7Å; D96-R98 PolarHBondContact OD2-NE 3.12Å; D96-R98 IonicContact OD2-NH2 2.79Å; D96-R98 PolarHBondContact OD2-NH2 3.22Å |
| 99 | I | 88.5 | Confident | 92.6 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -10.2 | -169.1 | -53.8 | 171.6 | 0 | 0 | 0 | 111.7 | W97 L103 | W97-I99 HydrophobicContact CH2-CD1 4.19Å; W97-I99 HydrophobicContact CZ2-CB 3.98Å; W97-I99 HydrophobicContact CZ2-CD1 4.32Å; W97-I99 HydrophobicContact CZ2-CG2 4.41Å; W97-I99 HydrophobicContact CZ3-CD1 4.38Å; I99-L103 HydrophobicContact CG2-CB 3.94Å; I99-L103 HydrophobicContact CG2-CD1 3.26Å; I99-L103 HydrophobicContact CG2-CG 4.19Å |
| 100 | G | 91.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | trans | 98.8 | 153.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W97 A102 L103 C104 | W97-G100 PolarHBondContact NE1-O 2.93Å; G100-A102 VanDerWaalsContact C-N 3.32Å; G100-A102 PolarHBondContact O-N 2.92Å; G100-L103 PolarHBondContact O-N 2.8Å; G100-C104 PolarHBondContact O-N 3.34Å | ||
| 101 | D | 91.8 | Very high | 92.5 | Very high | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -36.7 | -173.2 | -177 | 55.3 | 0 | 0 | 0 | 113 | L103 C104 R105 M171 S172 | D101-L103 VanDerWaalsContact C-N 3.34Å; D101-L103 PolarHBondContact O-N 3.18Å; D101-C104 WeakPolarHBondContact O-CA 3.17Å; D101-C104 VanDerWaalsContact O-CB 3.27Å; D101-C104 WeakPolarHBondContact O-CB 3.03Å; D101-C104 PolarHBondContact O-N 3.34Å; D101-R105 WeakPolarHBondContact O-CG 3.47Å; D101-R105 PolarHBondContact O-N 2.8Å; D101-R105 IonicContact OD1-NE 3.87Å; D101-R105 IonicContact OD2-CZ 3.63Å; D101-R105 IonicContact OD2-NE 2.74Å; D101-R105 PolarHBondContact OD2-NE 3.09Å; D101-R105 IonicContact OD2-NH2 3.95Å; D101-R105 PolarHBondContact OD2-NH2 2.68Å; D101-M171 PolarHBondContact OD1-N 3.35Å; D101-S172 VanDerWaalsContact CB-OG 3.23Å; D101-S172 WeakPolarHBondContact CB-OG 3.33Å; D101-S172 PolarHBondContact OD1-N 3.43Å; D101-S172 PolarHBondContact OD1-OG 3.15Å |
| 102 | A | 92.1 | Very high | 92.5 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 55% | 0.545 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G100 C104 R105 I106 | G100-A102 VanDerWaalsContact C-N 3.32Å; G100-A102 PolarHBondContact O-N 2.92Å; A102-C104 VanDerWaalsContact C-N 3.34Å; A102-R105 PolarHBondContact O-N 3.06Å; A102-I106 VanDerWaalsContact O-CG1 3.32Å; A102-I106 WeakPolarHBondContact O-CG1 3.4Å; A102-I106 PolarHBondContact O-N 3.18Å |
| 103 | L | 93 | Very high | 92.5 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 43% | 0.429 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.3 | -27.9 | 177.1 | -78 | 168.1 | 0 | 0 | 0 | 112.1 | W97 I99 G100 D101 I106 T107 | W97-L103 HydrophobicContact CZ2-CB 3.97Å; I99-L103 HydrophobicContact CG2-CB 3.94Å; I99-L103 HydrophobicContact CG2-CD1 3.26Å; I99-L103 HydrophobicContact CG2-CG 4.19Å; G100-L103 PolarHBondContact O-N 2.8Å; D101-L103 VanDerWaalsContact C-N 3.34Å; D101-L103 PolarHBondContact O-N 3.18Å; L103-I106 HydrophobicContact CD2-CD1 4.2Å; L103-T107 WeakPolarHBondContact O-CB 3.44Å; L103-T107 PolarHBondContact O-N 3.35Å; L103-T107 PolarHBondContact O-OG1 2.95Å |
| 104 | C | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 169.8 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | W97 G100 D101 A102 T107 A108 M171 C181 | W97-C104 HydrophobicContact CZ2-CB 4.31Å; G100-C104 PolarHBondContact O-N 3.34Å; D101-C104 WeakPolarHBondContact O-CA 3.17Å; D101-C104 VanDerWaalsContact O-CB 3.27Å; D101-C104 WeakPolarHBondContact O-CB 3.03Å; D101-C104 PolarHBondContact O-N 3.34Å; A102-C104 VanDerWaalsContact C-N 3.34Å; C104-T107 PolarHBondContact O-N 3.11Å; C104-A108 PolarHBondContact O-N 2.96Å; C104-M171 VanDerWaalsContact SG-C 3.58Å; C104-M171 PolarHBondContact SG-O 2.96Å; C104-C181 WeakPolarHBondContact CA-SG 3.49Å; C104-C181 HydrophobicContact CB-CB 4.06Å; C104-C181 WeakPolarHBondContact CB-SG 3.4Å; C104-C181 WeakPolarHBondContact SG-CA 3.32Å; C104-C181 WeakPolarHBondContact SG-CB 3.48Å; C104-C181 CovalentContact SG-SG 2.03Å; C104-C181 PolarHBondContact SG-SG 3.49Å |
| 105 | R | 93 | Very high | 92.9 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 19% | 0.185 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.3 | -65.7 | -175 | -159.1 | -156.5 | 1.1 | 112.4 | D101 A102 A108 L109 L167 I168 N169 P170 M171 | D101-R105 WeakPolarHBondContact O-CG 3.47Å; D101-R105 PolarHBondContact O-N 2.8Å; D101-R105 IonicContact OD1-NE 3.87Å; D101-R105 IonicContact OD2-CZ 3.63Å; D101-R105 IonicContact OD2-NE 2.74Å; D101-R105 PolarHBondContact OD2-NE 3.09Å; D101-R105 IonicContact OD2-NH2 3.95Å; D101-R105 PolarHBondContact OD2-NH2 2.68Å; A102-R105 PolarHBondContact O-N 3.06Å; R105-A108 WeakPolarHBondContact O-CB 3.43Å; R105-A108 PolarHBondContact O-N 3.42Å; R105-L109 WeakPolarHBondContact O-CB 3.38Å; R105-L109 PolarHBondContact O-N 3.41Å; R105-L167 HydrophobicContact CB-CD2 3.93Å; R105-L167 WeakPolarHBondContact CD-O 3.38Å; R105-L167 PolarHBondContact NH1-O 3.12Å; R105-I168 PolarHBondContact NH1-O 2.98Å; R105-N169 VanDerWaalsContact CZ-C 3.45Å; R105-N169 VanDerWaalsContact CZ-O 3.29Å; R105-N169 PolarHBondContact NE-O 2.86Å; R105-N169 PolarHBondContact NH1-O 2.95Å; R105-P170 VanDerWaalsContact NH2-CA 3.25Å; R105-M171 HydrophobicContact CG-CB 3.98Å; R105-M171 HydrophobicContact CG-CG 3.91Å |
| 106 | I | 92.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 39 Ų | 39 | 44% | 0.441 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 176 | -69 | 164.6 | 0 | 0 | 0 | 110.6 | A102 L103 L109 V110 | A102-I106 VanDerWaalsContact O-CG1 3.32Å; A102-I106 WeakPolarHBondContact O-CG1 3.4Å; A102-I106 PolarHBondContact O-N 3.18Å; L103-I106 HydrophobicContact CD2-CD1 4.2Å; I106-L109 WeakPolarHBondContact O-CB 3.22Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-V110 WeakPolarHBondContact O-CG2 3.38Å; I106-V110 PolarHBondContact O-N 2.64Å |
| 107 | T | 93.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | T86 L103 C104 L109 V110 F111 M182 | T86-T107 WeakPolarHBondContact OG1-CG2 3.48Å; L103-T107 WeakPolarHBondContact O-CB 3.44Å; L103-T107 PolarHBondContact O-N 3.35Å; L103-T107 PolarHBondContact O-OG1 2.95Å; C104-T107 PolarHBondContact O-N 3.11Å; T107-L109 PolarHBondContact O-N 3.28Å; T107-V110 PolarHBondContact O-N 3.36Å; T107-F111 HydrophobicContact CG2-CD2 3.93Å; T107-F111 HydrophobicContact CG2-CE2 3.63Å; T107-F111 HydrophobicContact CG2-CZ 4.38Å; T107-F111 WeakPolarHBondContact O-CD2 3.27Å; T107-F111 PolarHBondContact O-N 3.32Å; T107-F111 VanDerWaalsContact O-N 3.07Å; T107-M182 HydrophobicContact CG2-SD 4.22Å |
| 108 | A | 92.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.8 | -49.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C104 R105 V110 F111 Y112 M171 M182 | C104-A108 PolarHBondContact O-N 2.96Å; R105-A108 WeakPolarHBondContact O-CB 3.43Å; R105-A108 PolarHBondContact O-N 3.42Å; A108-V110 VanDerWaalsContact C-N 3.32Å; A108-V110 PolarHBondContact O-N 3.16Å; A108-F111 PolarHBondContact O-N 2.95Å; A108-Y112 VanDerWaalsContact O-CD2 3.23Å; A108-Y112 WeakPolarHBondContact O-CD2 3.5Å; A108-Y112 PolarHBondContact O-N 3.17Å; A108-M171 HydrophobicContact CB-CE 3.58Å; A108-M171 HydrophobicContact CB-CG 4.41Å; A108-M182 WeakPolarHBondContact CA-SD 3.48Å; A108-M182 HydrophobicContact CB-CE 3.88Å; A108-M182 HydrophobicContact CB-CG 3.72Å; A108-M182 HydrophobicContact CB-SD 3.64Å; A108-M182 PolarHBondContact N-SD 3.48Å |
| 109 | L | 93.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 28.3 Ų | 28.3 | 13% | 0.131 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.7 | -49.3 | 179.3 | -177.1 | 74.7 | 0 | 0 | 0 | 110.8 | R105 I106 T107 F111 Y112 I113 T163 L167 | R105-L109 WeakPolarHBondContact O-CB 3.38Å; R105-L109 PolarHBondContact O-N 3.41Å; I106-L109 WeakPolarHBondContact O-CB 3.22Å; I106-L109 PolarHBondContact O-N 2.97Å; T107-L109 PolarHBondContact O-N 3.28Å; L109-F111 PolarHBondContact O-N 3.35Å; L109-Y112 PolarHBondContact O-N 3.35Å; L109-I113 HydrophobicContact CD1-CD1 4.1Å; L109-I113 HydrophobicContact CD1-CG1 4.43Å; L109-I113 HydrophobicContact CD2-CD1 4.22Å; L109-I113 HydrophobicContact CG-CD1 3.7Å; L109-I113 HydrophobicContact CG-CG1 4.34Å; L109-I113 VanDerWaalsContact O-CB 3.26Å; L109-I113 WeakPolarHBondContact O-CB 3.42Å; L109-I113 WeakPolarHBondContact O-CG1 3.35Å; L109-I113 PolarHBondContact O-N 3.44Å; L109-T163 WeakPolarHBondContact CD1-OG1 3.13Å; L109-L167 HydrophobicContact CB-CD2 4.17Å; L109-L167 HydrophobicContact CD1-CG 4.32Å; L109-L167 HydrophobicContact CD2-CD1 4.11Å; L109-L167 HydrophobicContact CD2-CD2 4.17Å; L109-L167 HydrophobicContact CD2-CG 4.37Å |
| 110 | V | 95 | Very high | 93.9 | Very high | 35 Ų | 35 | 24.5 Ų | 24.5 | 21% | 0.212 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 179.8 | 172.8 | 0 | 0 | 0 | 0 | 112 | L79 A83 I106 T107 A108 N114 | L79-V110 HydrophobicContact CB-CG1 4.44Å; A83-V110 HydrophobicContact CB-CB 4.38Å; A83-V110 HydrophobicContact CB-CG1 3.81Å; I106-V110 WeakPolarHBondContact O-CG2 3.38Å; I106-V110 PolarHBondContact O-N 2.64Å; T107-V110 PolarHBondContact O-N 3.36Å; A108-V110 VanDerWaalsContact C-N 3.32Å; A108-V110 PolarHBondContact O-N 3.16Å; V110-N114 PolarHBondContact O-N 2.91Å; V110-N114 VanDerWaalsContact O-N 3.09Å |
| 111 | F | 94.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 179.4 | -84.4 | -127.1 | 0 | 0 | 0 | 112.1 | Y38 F80 A83 L84 R87 T107 A108 L109 N114 T115 M182 | Y38-F111 HydrophobicContact CE1-CE1 4.42Å; F80-F111 HydrophobicContact CD2-CD1 4.31Å; F80-F111 HydrophobicContact CD2-CD2 4.05Å; F80-F111 HydrophobicContact CD2-CE2 4.29Å; F80-F111 HydrophobicContact CD2-CG 4.06Å; F80-F111 AromaticContact CE2-CD1 3.61Å; F80-F111 HydrophobicContact CE2-CD1 3.61Å; F80-F111 HydrophobicContact CE2-CD2 4.1Å; F80-F111 AromaticContact CE2-CE1 3.66Å; F80-F111 HydrophobicContact CE2-CE1 3.66Å; F80-F111 HydrophobicContact CE2-CE2 4.16Å; F80-F111 AromaticContact CE2-CG 3.84Å; F80-F111 HydrophobicContact CE2-CG 3.84Å; F80-F111 AromaticContact CE2-CZ 3.95Å; F80-F111 HydrophobicContact CE2-CZ 3.95Å; F80-F111 HydrophobicContact CZ-CE1 4.44Å; A83-F111 HydrophobicContact CB-CD2 4.41Å; A83-F111 HydrophobicContact CB-CE2 3.91Å; L84-F111 HydrophobicContact CD2-CE1 4.08Å; L84-F111 HydrophobicContact CD2-CZ 3.72Å; R87-F111 HydrophobicContact CB-CE1 4.18Å; R87-F111 HydrophobicContact CB-CZ 3.67Å; R87-F111 HydrophobicContact CG-CE1 4.04Å; R87-F111 HydrophobicContact CG-CZ 4.05Å; T107-F111 HydrophobicContact CG2-CD2 3.93Å; T107-F111 HydrophobicContact CG2-CE2 3.63Å; T107-F111 HydrophobicContact CG2-CZ 4.38Å; T107-F111 WeakPolarHBondContact O-CD2 3.27Å; T107-F111 PolarHBondContact O-N 3.32Å; T107-F111 VanDerWaalsContact O-N 3.07Å; A108-F111 PolarHBondContact O-N 2.95Å; L109-F111 PolarHBondContact O-N 3.35Å; F111-N114 PolarHBondContact O-N 3Å; F111-T115 PolarHBondContact O-N 2.83Å; F111-T115 PolarHBondContact O-OG1 2.88Å; F111-M182 HydrophobicContact CB-CE 4.22Å; F111-M182 HydrophobicContact CD1-CE 4.39Å; F111-M182 HydrophobicContact CG-CE 4.35Å |
| 112 | Y | 93 | Very high | 94.1 | Very high | 34 Ų | 34 | 21 Ų | 21 | 13% | 0.133 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.9 | -32.7 | 179.3 | -75.4 | -70.8 | 0 | 0 | 0 | 112.5 | A108 L109 N114 T115 Y116 L166 M182 Y260 | A108-Y112 VanDerWaalsContact O-CD2 3.23Å; A108-Y112 WeakPolarHBondContact O-CD2 3.5Å; A108-Y112 PolarHBondContact O-N 3.17Å; L109-Y112 PolarHBondContact O-N 3.35Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 2.98Å; Y112-T115 PolarHBondContact O-N 3.16Å; Y112-Y116 HydrophobicContact CD1-CE2 4.21Å; Y112-Y116 WeakPolarHBondContact O-CD2 3.26Å; Y112-Y116 PolarHBondContact O-N 3.03Å; Y112-L166 HydrophobicContact CD2-CD1 3.32Å; Y112-L166 HydrophobicContact CE2-CD1 4.05Å; Y112-L166 HydrophobicContact CG-CD1 3.73Å; Y112-M182 HydrophobicContact CE2-CE 4.21Å; Y112-Y260 WeakPolarHBondContact CE1-OH 3.17Å; Y112-Y260 PolarHBondContact OH-OH 3.43Å |
| 113 | I | 95 | Very high | 94.2 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 8% | 0.077 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | 170.5 | -78.7 | 173 | 0 | 0 | 0 | 109.8 | L109 T115 Y116 A117 W156 V159 F160 T163 | L109-I113 HydrophobicContact CD1-CD1 4.1Å; L109-I113 HydrophobicContact CD1-CG1 4.43Å; L109-I113 HydrophobicContact CD2-CD1 4.22Å; L109-I113 HydrophobicContact CG-CD1 3.7Å; L109-I113 HydrophobicContact CG-CG1 4.34Å; L109-I113 VanDerWaalsContact O-CB 3.26Å; L109-I113 WeakPolarHBondContact O-CB 3.42Å; L109-I113 WeakPolarHBondContact O-CG1 3.35Å; L109-I113 PolarHBondContact O-N 3.44Å; I113-T115 PolarHBondContact O-N 3.2Å; I113-Y116 PolarHBondContact O-N 3.37Å; I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 3.12Å; I113-W156 HydrophobicContact CG2-CH2 4.39Å; I113-W156 HydrophobicContact CG2-CZ3 3.73Å; I113-V159 HydrophobicContact CB-CG1 4.22Å; I113-V159 HydrophobicContact CG1-CG1 4.05Å; I113-V159 HydrophobicContact CG2-CG1 4.07Å; I113-F160 HydrophobicContact CD1-CD1 3.93Å; I113-F160 HydrophobicContact CD1-CE1 3.51Å; I113-F160 HydrophobicContact CD1-CZ 4.41Å; I113-F160 HydrophobicContact CG1-CE1 4.47Å; I113-T163 HydrophobicContact CG1-CG2 4.09Å; I113-T163 WeakPolarHBondContact CG1-OG1 3.31Å |
| 114 | N | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 177.1 | 173 | -96.8 | 0 | 0 | 0 | 112.8 | S76 D77 F80 V110 F111 Y112 Y116 G118 N300 | S76-N114 VanDerWaalsContact OG-CA 3.32Å; S76-N114 WeakPolarHBondContact OG-CA 3.3Å; D77-N114 PolarHBondContact OD1-ND2 3.39Å; F80-N114 HydrophobicContact CB-CB 3.62Å; F80-N114 HydrophobicContact CD2-CB 4.2Å; F80-N114 HydrophobicContact CG-CB 3.98Å; V110-N114 PolarHBondContact O-N 2.91Å; V110-N114 VanDerWaalsContact O-N 3.09Å; F111-N114 PolarHBondContact O-N 3Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 2.98Å; N114-Y116 PolarHBondContact O-N 3.38Å; N114-G118 WeakPolarHBondContact O-CA 3.27Å; N114-G118 PolarHBondContact O-N 3.21Å; N114-N300 PolarHBondContact OD1-ND2 2.88Å |
| 115 | T | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.3 | -53.8 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | F111 Y112 I113 G118 V119 F257 M297 | F111-T115 PolarHBondContact O-N 2.83Å; F111-T115 PolarHBondContact O-OG1 2.88Å; Y112-T115 PolarHBondContact O-N 3.16Å; I113-T115 PolarHBondContact O-N 3.2Å; T115-G118 PolarHBondContact O-N 2.79Å; T115-V119 WeakPolarHBondContact O-CG2 3.3Å; T115-V119 PolarHBondContact O-N 3.32Å; T115-F257 HydrophobicContact CG2-CD1 4.25Å; T115-F257 HydrophobicContact CG2-CE1 4.05Å; T115-M297 HydrophobicContact CG2-CE 4.27Å; T115-M297 HydrophobicContact CG2-CG 4.11Å; T115-M297 HydrophobicContact CG2-SD 3.45Å; T115-M297 WeakPolarHBondContact CG2-SD 3.47Å; T115-M297 WeakPolarHBondContact OG1-CE 3.04Å |
| 116 | Y | 95 | Very high | 93.9 | Very high | 13 Ų | 13 | 12.8 Ų | 12.8 | 5% | 0.051 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -76.8 | -34.3 | -175 | -65.5 | -61.4 | 0 | 0 | 0 | 112.9 | Y112 I113 N114 G118 N120 Q162 T163 | Y112-Y116 HydrophobicContact CD1-CE2 4.21Å; Y112-Y116 WeakPolarHBondContact O-CD2 3.26Å; Y112-Y116 PolarHBondContact O-N 3.03Å; I113-Y116 PolarHBondContact O-N 3.37Å; N114-Y116 PolarHBondContact O-N 3.38Å; Y116-G118 VanDerWaalsContact C-N 3.3Å; Y116-N120 WeakPolarHBondContact O-CB 3.49Å; Y116-N120 PolarHBondContact O-N 2.87Å; Y116-N120 PolarHBondContact O-ND2 3.16Å; Y116-Q162 HydrophobicContact CD2-CB 4.46Å; Y116-T163 HydrophobicContact CD2-CG2 3.67Å; Y116-T163 HydrophobicContact CE2-CG2 4.19Å |
| 117 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | S76 I113 N120 F121 W156 V159 | S76-A117 WeakPolarHBondContact OG-CB 3.38Å; I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 3.12Å; A117-N120 PolarHBondContact O-N 2.78Å; A117-F121 HydrophobicContact CB-CD2 4.13Å; A117-F121 HydrophobicContact CB-CE2 4.24Å; A117-F121 WeakPolarHBondContact O-CB 3.08Å; A117-F121 WeakPolarHBondContact O-CD2 3.49Å; A117-F121 PolarHBondContact O-N 3.05Å; A117-W156 HydrophobicContact CB-CH2 4.27Å; A117-W156 HydrophobicContact CB-CZ3 4.34Å; A117-V159 HydrophobicContact CB-CG1 4.5Å; A117-V159 HydrophobicContact CB-CG2 4.27Å |
| 118 | G | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -50.5 | -60.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L73 N114 T115 Y116 N120 M122 | L73-G118 VanDerWaalsContact CD1-CA 3.48Å; N114-G118 WeakPolarHBondContact O-CA 3.27Å; N114-G118 PolarHBondContact O-N 3.21Å; T115-G118 PolarHBondContact O-N 2.79Å; Y116-G118 VanDerWaalsContact C-N 3.3Å; G118-N120 PolarHBondContact O-N 3.41Å; G118-M122 WeakPolarHBondContact O-CB 3.43Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.22Å; G118-M122 PolarHBondContact O-N 2.87Å |
| 119 | V | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | -179.8 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | T115 T123 G204 P208 F253 F257 | T115-V119 WeakPolarHBondContact O-CG2 3.3Å; T115-V119 PolarHBondContact O-N 3.32Å; V119-T123 WeakPolarHBondContact O-CB 3.41Å; V119-T123 PolarHBondContact O-N 2.95Å; V119-T123 PolarHBondContact O-OG1 3.32Å; V119-G204 WeakPolarHBondContact CG1-O 3.31Å; V119-P208 HydrophobicContact CG1-CB 3.31Å; V119-P208 HydrophobicContact CG1-CG 3.56Å; V119-F253 HydrophobicContact CB-CZ 4.3Å; V119-F253 HydrophobicContact CG1-CE1 3.9Å; V119-F253 HydrophobicContact CG1-CZ 3.84Å; V119-F253 HydrophobicContact CG2-CE1 4.37Å; V119-F253 HydrophobicContact CG2-CZ 4.34Å; V119-F257 HydrophobicContact CG2-CD1 3.81Å; V119-F257 HydrophobicContact CG2-CD2 3.99Å; V119-F257 HydrophobicContact CG2-CE1 3.84Å; V119-F257 HydrophobicContact CG2-CE2 3.99Å; V119-F257 HydrophobicContact CG2-CG 3.91Å; V119-F257 HydrophobicContact CG2-CZ 3.93Å |
| 120 | N | 95.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 9% | 0.091 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69 | -44.9 | -177.1 | -78.2 | -72.7 | 0 | 0 | 0 | 112.3 | Y116 A117 G118 T123 C124 V155 | Y116-N120 WeakPolarHBondContact O-CB 3.49Å; Y116-N120 PolarHBondContact O-N 2.87Å; Y116-N120 PolarHBondContact O-ND2 3.16Å; A117-N120 PolarHBondContact O-N 2.78Å; G118-N120 PolarHBondContact O-N 3.41Å; N120-T123 WeakPolarHBondContact O-CA 3.47Å; N120-T123 VanDerWaalsContact O-CB 3.32Å; N120-T123 WeakPolarHBondContact O-CB 3.1Å; N120-T123 PolarHBondContact O-N 3.36Å; N120-T123 VanDerWaalsContact O-N 3.15Å; N120-C124 PolarHBondContact O-N 3.17Å; N120-C124 PolarHBondContact O-SG 2.88Å; N120-V155 HydrophobicContact CB-CG1 3.58Å; N120-V155 HydrophobicContact CB-CG2 4.35Å |
| 121 | F | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.5 | -33.1 | 178.4 | -76 | -61.4 | 0 | 0 | 0 | 112.6 | Y69 N72 L73 A117 T123 C124 L125 C152 V155 W156 | Y69-F121 HydrophobicContact CD1-CD1 4.18Å; Y69-F121 HydrophobicContact CD1-CE1 4.38Å; N72-F121 HydrophobicContact CB-CD1 4.14Å; N72-F121 HydrophobicContact CB-CD2 3.98Å; N72-F121 HydrophobicContact CB-CE1 3.62Å; N72-F121 HydrophobicContact CB-CE2 3.45Å; N72-F121 VanDerWaalsContact CB-CE2 3.45Å; N72-F121 HydrophobicContact CB-CG 4.32Å; N72-F121 HydrophobicContact CB-CZ 3.26Å; L73-F121 HydrophobicContact CB-CB 4.38Å; L73-F121 HydrophobicContact CD1-CB 4.36Å; A117-F121 HydrophobicContact CB-CD2 4.13Å; A117-F121 HydrophobicContact CB-CE2 4.24Å; A117-F121 WeakPolarHBondContact O-CB 3.08Å; A117-F121 WeakPolarHBondContact O-CD2 3.49Å; A117-F121 PolarHBondContact O-N 3.05Å; F121-T123 VanDerWaalsContact C-N 3.3Å; F121-C124 PolarHBondContact O-N 3.3Å; F121-L125 WeakPolarHBondContact O-CB 3.5Å; F121-L125 VanDerWaalsContact O-CG 3.32Å; F121-L125 WeakPolarHBondContact O-CG 3.46Å; F121-L125 PolarHBondContact O-N 2.93Å; F121-C152 HydrophobicContact CE1-CB 4.2Å; F121-V155 HydrophobicContact CD1-CG1 4.33Å; F121-V155 HydrophobicContact CD2-CG1 4.16Å; F121-V155 HydrophobicContact CE1-CB 4.17Å; F121-V155 HydrophobicContact CE1-CG1 3.95Å; F121-V155 HydrophobicContact CE2-CG1 3.74Å; F121-V155 HydrophobicContact CG-CG1 4.41Å; F121-V155 HydrophobicContact CZ-CB 4.07Å; F121-V155 HydrophobicContact CZ-CG1 3.61Å; F121-W156 AromaticContact CE2-CE2 3.98Å; F121-W156 HydrophobicContact CE2-CZ2 4.03Å; F121-W156 AromaticContact CZ-NE1 3.74Å |
| 122 | M | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.6 | -35.7 | 169.4 | -72.3 | -175.5 | -162.8 | 0 | 0 | 112.1 | L73 G118 L125 S126 I249 V252 F253 F257 D304 I307 | L73-M122 HydrophobicContact CD2-CE 4.29Å; L73-M122 HydrophobicContact CD2-CG 4.41Å; G118-M122 WeakPolarHBondContact O-CB 3.43Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.22Å; G118-M122 PolarHBondContact O-N 2.87Å; M122-L125 PolarHBondContact O-N 3.21Å; M122-S126 WeakPolarHBondContact O-CB 3.44Å; M122-S126 PolarHBondContact O-N 3Å; M122-S126 PolarHBondContact O-OG 3.15Å; M122-I249 HydrophobicContact CB-CG2 4.4Å; M122-V252 HydrophobicContact CE-CG1 3.96Å; M122-V252 HydrophobicContact SD-CG1 4.07Å; M122-F253 HydrophobicContact CB-CE2 3.83Å; M122-F253 HydrophobicContact CB-CZ 4.42Å; M122-F253 HydrophobicContact SD-CD2 4.36Å; M122-F253 HydrophobicContact SD-CE2 3.88Å; M122-F257 HydrophobicContact CE-CE2 4.3Å; M122-F257 HydrophobicContact SD-CE2 4.14Å; M122-D304 WeakPolarHBondContact CE-OD1 3.48Å; M122-I307 HydrophobicContact CE-CD1 3.82Å; M122-I307 HydrophobicContact SD-CD1 4.18Å |
| 123 | T | 94.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 5% | 0.049 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 172.8 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | V119 N120 F121 L125 S126 I127 P208 I211 I212 | V119-T123 WeakPolarHBondContact O-CB 3.41Å; V119-T123 PolarHBondContact O-N 2.95Å; V119-T123 PolarHBondContact O-OG1 3.32Å; N120-T123 WeakPolarHBondContact O-CA 3.47Å; N120-T123 VanDerWaalsContact O-CB 3.32Å; N120-T123 WeakPolarHBondContact O-CB 3.1Å; N120-T123 PolarHBondContact O-N 3.36Å; N120-T123 VanDerWaalsContact O-N 3.15Å; F121-T123 VanDerWaalsContact C-N 3.3Å; T123-L125 VanDerWaalsContact C-N 3.32Å; T123-L125 PolarHBondContact O-N 3.26Å; T123-S126 WeakPolarHBondContact O-CB 3.28Å; T123-S126 PolarHBondContact O-N 3.33Å; T123-S126 VanDerWaalsContact O-N 3.08Å; T123-I127 HydrophobicContact CG2-CD1 4.14Å; T123-I127 WeakPolarHBondContact O-CG1 3.47Å; T123-I127 PolarHBondContact O-N 3.05Å; T123-P208 WeakPolarHBondContact OG1-CB 3.32Å; T123-I211 HydrophobicContact CG2-CB 4.07Å; T123-I211 HydrophobicContact CG2-CD1 4.37Å; T123-I211 HydrophobicContact CG2-CG2 3.71Å; T123-I212 HydrophobicContact CG2-CG1 4.33Å |
| 124 | C | 93.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 16.3 Ų | 16.3 | 10% | 0.101 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 174.7 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | Y69 N120 F121 S126 I127 D128 | Y69-C124 HydrophobicContact CD1-CB 4.15Å; Y69-C124 HydrophobicContact CD2-CB 4.01Å; Y69-C124 HydrophobicContact CE1-CB 4.22Å; Y69-C124 HydrophobicContact CE2-CB 4.06Å; Y69-C124 HydrophobicContact CG-CB 4.07Å; N120-C124 PolarHBondContact O-N 3.17Å; N120-C124 PolarHBondContact O-SG 2.88Å; F121-C124 PolarHBondContact O-N 3.3Å; C124-S126 VanDerWaalsContact C-N 3.32Å; C124-S126 PolarHBondContact O-N 3.46Å; C124-I127 PolarHBondContact O-N 3.16Å; C124-D128 WeakPolarHBondContact O-CB 3.29Å; C124-D128 PolarHBondContact O-N 3.33Å |
| 125 | L | 90.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 173.5 | -76.8 | 166.9 | 0 | 0 | 0 | 111.7 | T66 Y69 F121 M122 T123 D128 R129 I249 | T66-L125 HydrophobicContact CG2-CD2 3.6Å; Y69-L125 HydrophobicContact CD2-CD2 4.43Å; F121-L125 WeakPolarHBondContact O-CB 3.5Å; F121-L125 VanDerWaalsContact O-CG 3.32Å; F121-L125 WeakPolarHBondContact O-CG 3.46Å; F121-L125 PolarHBondContact O-N 2.93Å; M122-L125 PolarHBondContact O-N 3.21Å; T123-L125 VanDerWaalsContact C-N 3.32Å; T123-L125 PolarHBondContact O-N 3.26Å; L125-D128 PolarHBondContact O-N 2.98Å; L125-R129 WeakPolarHBondContact O-CB 3.37Å; L125-R129 WeakPolarHBondContact O-CG 3.36Å; L125-R129 PolarHBondContact O-N 3.36Å; L125-I249 HydrophobicContact CB-CD1 4.47Å |
| 126 | S | 90.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 177.7 | -56 | 0 | 0 | 0 | 0 | 111.6 | M122 T123 C124 R129 F130 Y216 | M122-S126 WeakPolarHBondContact O-CB 3.44Å; M122-S126 PolarHBondContact O-N 3Å; M122-S126 PolarHBondContact O-OG 3.15Å; T123-S126 WeakPolarHBondContact O-CB 3.28Å; T123-S126 PolarHBondContact O-N 3.33Å; T123-S126 VanDerWaalsContact O-N 3.08Å; C124-S126 VanDerWaalsContact C-N 3.32Å; C124-S126 PolarHBondContact O-N 3.46Å; S126-R129 PolarHBondContact O-N 2.94Å; S126-F130 WeakPolarHBondContact O-CB 3.36Å; S126-F130 PolarHBondContact O-N 3.46Å; S126-Y216 VanDerWaalsContact OG-CZ 3.28Å; S126-Y216 PolarHBondContact OG-OH 3.42Å |
| 127 | I | 91.4 | Very high | 89.4 | Confident | 62 Ų | 62 | 29.2 Ų | 29.2 | 32% | 0.318 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 175.3 | -64.6 | 167.5 | 0 | 0 | 0 | 111 | T123 C124 R129 F130 I131 I211 | T123-I127 HydrophobicContact CG2-CD1 4.14Å; T123-I127 WeakPolarHBondContact O-CG1 3.47Å; T123-I127 PolarHBondContact O-N 3.05Å; C124-I127 PolarHBondContact O-N 3.16Å; I127-R129 VanDerWaalsContact C-N 3.25Å; I127-R129 PolarHBondContact O-N 3.01Å; I127-F130 WeakPolarHBondContact O-CB 3.35Å; I127-F130 PolarHBondContact O-N 3.36Å; I127-F130 VanDerWaalsContact O-N 3.15Å; I127-I131 HydrophobicContact CG2-CD1 3.79Å; I127-I131 HydrophobicContact CG2-CG1 4.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.46Å; I127-I131 PolarHBondContact O-N 3.35Å; I127-I211 HydrophobicContact CD1-CG2 3.95Å; I127-I211 HydrophobicContact CG1-CG2 3.94Å |
| 128 | D | 88.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.3 | -42.8 | 177.4 | -178.3 | 71 | 0 | 0 | 0 | 111 | S65 T66 Y69 C124 L125 A132 | S65-D128 VanDerWaalsContact CB-OD1 3.32Å; S65-D128 WeakPolarHBondContact CB-OD1 3.34Å; S65-D128 PolarHBondContact OG-OD1 3.22Å; T66-D128 PolarHBondContact OG1-OD2 2.91Å; Y69-D128 HydrophobicContact CD2-CB 4.46Å; Y69-D128 HydrophobicContact CE2-CB 4.1Å; C124-D128 WeakPolarHBondContact O-CB 3.29Å; C124-D128 PolarHBondContact O-N 3.33Å; L125-D128 PolarHBondContact O-N 2.98Å; D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.36Å; D128-A132 PolarHBondContact O-N 3.04Å; D128-A132 VanDerWaalsContact O-N 3.07Å |
| 129 | R | 86.4 | Confident | 87.8 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 18% | 0.181 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.9 | -43.5 | 176 | -69.6 | -72.7 | 162.2 | -131.1 | -11.1 | 112.4 | T66 L125 S126 I127 A132 V133 I219 | T66-R129 PolarHBondContact OG1-NH2 2.9Å; L125-R129 WeakPolarHBondContact O-CB 3.37Å; L125-R129 WeakPolarHBondContact O-CG 3.36Å; L125-R129 PolarHBondContact O-N 3.36Å; S126-R129 PolarHBondContact O-N 2.94Å; I127-R129 VanDerWaalsContact C-N 3.25Å; I127-R129 PolarHBondContact O-N 3.01Å; R129-A132 PolarHBondContact O-N 3.21Å; R129-V133 WeakPolarHBondContact O-CG2 3.37Å; R129-V133 PolarHBondContact O-N 3.46Å; R129-I219 HydrophobicContact CB-CD1 4.48Å |
| 130 | F | 88.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 44 Ų | 44 | 18% | 0.18 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 176.6 | 164.3 | -101.8 | 0 | 0 | 0 | 111.3 | S126 I127 A132 V133 V134 C215 Q218 I219 | S126-F130 WeakPolarHBondContact O-CB 3.36Å; S126-F130 PolarHBondContact O-N 3.46Å; I127-F130 WeakPolarHBondContact O-CB 3.35Å; I127-F130 PolarHBondContact O-N 3.36Å; I127-F130 VanDerWaalsContact O-N 3.15Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 2.94Å; F130-V133 PolarHBondContact O-N 2.86Å; F130-V134 HydrophobicContact CD2-CB 4.1Å; F130-V134 HydrophobicContact CD2-CG2 3.6Å; F130-V134 HydrophobicContact CE2-CB 3.8Å; F130-V134 HydrophobicContact CE2-CG1 3.96Å; F130-V134 HydrophobicContact CE2-CG2 3.6Å; F130-V134 HydrophobicContact CZ-CB 4.31Å; F130-V134 HydrophobicContact CZ-CG1 4.3Å; F130-V134 WeakPolarHBondContact O-CB 3.24Å; F130-V134 PolarHBondContact O-N 2.85Å; F130-C215 HydrophobicContact CB-CB 3.93Å; F130-C215 HydrophobicContact CG-CB 4.32Å; F130-Q218 HydrophobicContact CD2-CB 4Å; F130-Q218 HydrophobicContact CE2-CB 3.55Å; F130-Q218 HydrophobicContact CE2-CG 4.11Å; F130-I219 HydrophobicContact CB-CD1 3.94Å; F130-I219 HydrophobicContact CB-CG1 4.27Å; F130-I219 HydrophobicContact CD2-CG1 4.23Å |
| 131 | I | 87.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 179.6 | -60.6 | 170.3 | 0 | 0 | 0 | 110.5 | I127 V133 H135 Y139 | I127-I131 HydrophobicContact CG2-CD1 3.79Å; I127-I131 HydrophobicContact CG2-CG1 4.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.46Å; I127-I131 PolarHBondContact O-N 3.35Å; I131-V133 VanDerWaalsContact C-N 3.35Å; I131-V133 PolarHBondContact O-N 2.65Å; I131-H135 CarbonylContact O-C 3.6Å; I131-H135 WeakPolarHBondContact O-CA 3.4Å; I131-H135 PolarHBondContact O-N 3.48Å; I131-Y139 HydrophobicContact CB-CD2 4.39Å; I131-Y139 HydrophobicContact CG2-CD2 4.03Å |
| 132 | A | 84.6 | Confident | 84.3 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 21% | 0.207 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D128 R129 F130 Y139 | D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.36Å; D128-A132 PolarHBondContact O-N 3.04Å; D128-A132 VanDerWaalsContact O-N 3.07Å; R129-A132 PolarHBondContact O-N 3.21Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 2.94Å; A132-Y139 HydrophobicContact CB-CD1 4.12Å; A132-Y139 HydrophobicContact CB-CD2 3.81Å; A132-Y139 HydrophobicContact CB-CE1 4.09Å; A132-Y139 HydrophobicContact CB-CE2 3.8Å; A132-Y139 HydrophobicContact CB-CG 3.98Å |
| 133 | V | 82.5 | Confident | 83.3 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -89.9 | -45.2 | -176.3 | 175.6 | 0 | 0 | 0 | 0 | 112 | R129 F130 I131 I219 L223 | R129-V133 WeakPolarHBondContact O-CG2 3.37Å; R129-V133 PolarHBondContact O-N 3.46Å; F130-V133 PolarHBondContact O-N 2.86Å; I131-V133 VanDerWaalsContact C-N 3.35Å; I131-V133 PolarHBondContact O-N 2.65Å; V133-I219 HydrophobicContact CB-CG1 4.5Å; V133-I219 HydrophobicContact CG1-CG2 4.21Å; V133-L223 HydrophobicContact CG1-CD2 4.23Å; V133-L223 HydrophobicContact CG1-CG 4.43Å |
| 134 | V | 84.1 | Confident | 82.5 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -85.3 | -32.1 | -172.8 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | F130 I219 K222 | F130-V134 HydrophobicContact CD2-CB 4.1Å; F130-V134 HydrophobicContact CD2-CG2 3.6Å; F130-V134 HydrophobicContact CE2-CB 3.8Å; F130-V134 HydrophobicContact CE2-CG1 3.96Å; F130-V134 HydrophobicContact CE2-CG2 3.6Å; F130-V134 HydrophobicContact CZ-CB 4.31Å; F130-V134 HydrophobicContact CZ-CG1 4.3Å; F130-V134 WeakPolarHBondContact O-CB 3.24Å; F130-V134 PolarHBondContact O-N 2.85Å; V134-I219 HydrophobicContact CG2-CG1 4.16Å; V134-K222 HydrophobicContact CG2-CB 4.24Å |
| 135 | H | 84.4 | Confident | 82 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 32% | 0.319 | 33% | 0.334 | S | S | . | . | trans | -131.9 | 61.4 | -176.2 | -59.2 | -60.4 | 0 | 0 | 0 | 113.4 | I131 L137 R138 Y139 | I131-H135 CarbonylContact O-C 3.6Å; I131-H135 WeakPolarHBondContact O-CA 3.4Å; I131-H135 PolarHBondContact O-N 3.48Å; H135-L137 VanDerWaalsContact C-N 3.3Å; H135-L137 PolarHBondContact O-N 3.11Å; H135-R138 HydrophobicContact CB-CB 4.06Å; H135-R138 HydrophobicContact CB-CG 4.39Å; H135-R138 PolarHBondContact O-N 2.71Å; H135-Y139 PolarHBondContact O-N 3.5Å | ||
| 136 | P | 80.9 | Confident | 81.8 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.1 | -34.7 | -172.7 | 23 | -34.4 | 0 | 0 | 0 | 114.3 | Y139 N140 | P136-Y139 WeakPolarHBondContact O-CB 3.4Å; P136-Y139 PolarHBondContact O-N 3.29Å; P136-N140 PolarHBondContact O-N 3.07Å; P136-N140 VanDerWaalsContact O-N 3.11Å |
| 137 | L | 80.2 | Confident | 81.8 | Confident | 144 Ų | 144 | 80.8 Ų | 80.8 | 75% | 0.754 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67 | -38.9 | 176.2 | -62.4 | 176.9 | 0 | 0 | 0 | 112.2 | H135 | H135-L137 VanDerWaalsContact C-N 3.3Å; H135-L137 PolarHBondContact O-N 3.11Å |
| 138 | R | 77.3 | Confident | 81.7 | Confident | 159 Ų | 159 | 78 Ų | 78 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -71.5 | -37.8 | 173.8 | -68.4 | -173.7 | 176.5 | 169.2 | -2.3 | 110.7 | H135 N140 K141 I142 | H135-R138 HydrophobicContact CB-CB 4.06Å; H135-R138 HydrophobicContact CB-CG 4.39Å; H135-R138 PolarHBondContact O-N 2.71Å; R138-N140 VanDerWaalsContact C-N 3.32Å; R138-N140 PolarHBondContact O-N 3.49Å; R138-K141 PolarHBondContact O-N 2.89Å; R138-I142 HydrophobicContact CB-CD1 4.1Å; R138-I142 WeakPolarHBondContact O-CB 3.38Å; R138-I142 WeakPolarHBondContact O-CG1 3.23Å; R138-I142 PolarHBondContact O-N 3.15Å |
| 139 | Y | 80 | Confident | 82 | Confident | 30 Ų | 30 | 81.2 Ų | 81.2 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55.6 | -46.5 | 175.8 | -173.1 | -110.2 | 0 | 0 | 0 | 111.5 | I131 A132 H135 P136 K141 I142 K143 | I131-Y139 HydrophobicContact CB-CD2 4.39Å; I131-Y139 HydrophobicContact CG2-CD2 4.03Å; A132-Y139 HydrophobicContact CB-CD1 4.12Å; A132-Y139 HydrophobicContact CB-CD2 3.81Å; A132-Y139 HydrophobicContact CB-CE1 4.09Å; A132-Y139 HydrophobicContact CB-CE2 3.8Å; A132-Y139 HydrophobicContact CB-CG 3.98Å; H135-Y139 PolarHBondContact O-N 3.5Å; P136-Y139 WeakPolarHBondContact O-CB 3.4Å; P136-Y139 PolarHBondContact O-N 3.29Å; Y139-K141 PolarHBondContact O-N 2.93Å; Y139-I142 PolarHBondContact O-N 3.08Å; Y139-I142 VanDerWaalsContact O-N 3.16Å; Y139-K143 HydrophobicContact CD1-CD 4.26Å; Y139-K143 HydrophobicContact CE1-CB 4.4Å; Y139-K143 HydrophobicContact CE1-CD 3.62Å; Y139-K143 HydrophobicContact CE1-CG 4.09Å; Y139-K143 WeakPolarHBondContact O-CB 3.39Å; Y139-K143 PolarHBondContact O-N 3.29Å |
| 140 | N | 73.5 | Confident | 82.4 | Confident | 123 Ų | 123 | 80.9 Ų | 80.9 | 66% | 0.658 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.1 | -28.6 | 177.5 | -76.8 | -12.9 | 0 | 0 | 0 | 113.8 | P136 R138 | P136-N140 PolarHBondContact O-N 3.07Å; P136-N140 VanDerWaalsContact O-N 3.11Å; R138-N140 VanDerWaalsContact C-N 3.32Å; R138-N140 PolarHBondContact O-N 3.49Å |
| 141 | K | 68.4 | Low | 82.7 | Confident | 172 Ų | 172 | 81.5 Ų | 81.5 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -79.7 | -39.4 | 174.3 | -65.3 | -177 | 178.1 | -173.4 | 0 | 112.5 | R138 Y139 | R138-K141 PolarHBondContact O-N 2.89Å; Y139-K141 PolarHBondContact O-N 2.93Å |
| 142 | I | 70.8 | Confident | 83.1 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -88.1 | -22.6 | -171.9 | -63.1 | 167.5 | 0 | 0 | 0 | 113 | R138 Y139 R144 | R138-I142 HydrophobicContact CB-CD1 4.1Å; R138-I142 WeakPolarHBondContact O-CB 3.38Å; R138-I142 WeakPolarHBondContact O-CG1 3.23Å; R138-I142 PolarHBondContact O-N 3.15Å; Y139-I142 PolarHBondContact O-N 3.08Å; Y139-I142 VanDerWaalsContact O-N 3.16Å; I142-R144 PolarHBondContact O-N 3.01Å |
| 143 | K | 72.4 | Confident | 83.7 | Confident | 96 Ų | 96 | 83.8 Ų | 83.8 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | trans | -60.4 | 0.6 | -175.7 | -173.2 | -171.9 | 176.1 | -167.3 | 0 | 115 | Y139 I145 | Y139-K143 HydrophobicContact CD1-CD 4.26Å; Y139-K143 HydrophobicContact CE1-CB 4.4Å; Y139-K143 HydrophobicContact CE1-CD 3.62Å; Y139-K143 HydrophobicContact CE1-CG 4.09Å; Y139-K143 WeakPolarHBondContact O-CB 3.39Å; Y139-K143 PolarHBondContact O-N 3.29Å; K143-I145 PolarHBondContact O-N 2.85Å; K143-I145 VanDerWaalsContact O-N 3.16Å | ||
| 144 | R | 77 | Confident | 84.4 | Confident | 184 Ų | 184 | 88.3 Ų | 88.3 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | trans | -53.5 | 124.4 | 173.4 | -77.1 | -176.9 | 171 | -172 | -2.3 | 109.8 | I142 E146 H147 | I142-R144 PolarHBondContact O-N 3.01Å; R144-E146 PolarHBondContact O-N 3.39Å; R144-E146 VanDerWaalsContact O-N 3.09Å; R144-H147 PolarHBondContact O-N 3.4Å | ||
| 145 | I | 83.3 | Confident | 85.1 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 29% | 0.292 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.6 | -28.8 | -176.7 | -165.9 | 167.6 | 0 | 0 | 0 | 112.7 | I63 L68 K143 H147 A148 K149 | I63-I145 HydrophobicContact CB-CD1 4.21Å; I63-I145 HydrophobicContact CG2-CD1 3.56Å; L68-I145 HydrophobicContact CD2-CG1 4.47Å; K143-I145 PolarHBondContact O-N 2.85Å; K143-I145 VanDerWaalsContact O-N 3.16Å; I145-H147 VanDerWaalsContact C-N 3.33Å; I145-H147 PolarHBondContact O-N 3.31Å; I145-A148 PolarHBondContact O-N 3.42Å; I145-A148 VanDerWaalsContact O-N 3.15Å; I145-K149 WeakPolarHBondContact O-CG 2.94Å; I145-K149 PolarHBondContact O-N 2.96Å |
| 146 | E | 86.7 | Confident | 85.7 | Confident | 114 Ų | 114 | 86.2 Ų | 86.2 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 177.2 | -56.5 | -49.1 | 131.9 | 0 | 0 | 113 | R144 K149 G150 | R144-E146 PolarHBondContact O-N 3.39Å; R144-E146 VanDerWaalsContact O-N 3.09Å; E146-K149 VanDerWaalsContact CD-NZ 3.33Å; E146-K149 PolarHBondContact O-N 2.9Å; E146-K149 IonicContact OE1-NZ 2.79Å; E146-K149 PolarHBondContact OE1-NZ 2.83Å; E146-K149 WeakPolarHBondContact OE2-CD 3.43Å; E146-K149 IonicContact OE2-NZ 3.05Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å; E146-G150 PolarHBondContact O-N 2.95Å |
| 147 | H | 88.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 88 Ų | 88 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.2 | -64.8 | 89.2 | 0 | 0 | 0 | 111 | R144 I145 K149 G150 V151 | R144-H147 PolarHBondContact O-N 3.4Å; I145-H147 VanDerWaalsContact C-N 3.33Å; I145-H147 PolarHBondContact O-N 3.31Å; H147-K149 VanDerWaalsContact C-N 3.31Å; H147-K149 PolarHBondContact O-N 3Å; H147-G150 PolarHBondContact O-N 3.01Å; H147-V151 WeakPolarHBondContact O-CG2 3.1Å; H147-V151 PolarHBondContact O-N 3.18Å |
| 148 | A | 91.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 83.3 Ų | 83.3 | 3% | 0.025 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L68 Y69 I145 V151 C152 | L68-A148 HydrophobicContact CD2-CB 3.85Å; Y69-A148 HydrophobicContact CE1-CB 4.11Å; I145-A148 PolarHBondContact O-N 3.42Å; I145-A148 VanDerWaalsContact O-N 3.15Å; A148-V151 PolarHBondContact O-N 3.23Å; A148-C152 PolarHBondContact O-N 3.41Å; A148-C152 PolarHBondContact O-SG 3.34Å |
| 149 | K | 93.3 | Very high | 88 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 37% | 0.365 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 172.1 | -69.8 | 175.5 | -174.1 | 165.3 | 0 | 111.5 | L68 I145 E146 H147 V151 C152 I153 | L68-K149 HydrophobicContact CD2-CB 4.46Å; L68-K149 HydrophobicContact CD2-CG 3.84Å; I145-K149 WeakPolarHBondContact O-CG 2.94Å; I145-K149 PolarHBondContact O-N 2.96Å; E146-K149 VanDerWaalsContact CD-NZ 3.33Å; E146-K149 PolarHBondContact O-N 2.9Å; E146-K149 IonicContact OE1-NZ 2.79Å; E146-K149 PolarHBondContact OE1-NZ 2.83Å; E146-K149 WeakPolarHBondContact OE2-CD 3.43Å; E146-K149 IonicContact OE2-NZ 3.05Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å; H147-K149 VanDerWaalsContact C-N 3.31Å; H147-K149 PolarHBondContact O-N 3Å; K149-V151 VanDerWaalsContact C-N 3.3Å; K149-V151 PolarHBondContact O-N 3.18Å; K149-C152 WeakPolarHBondContact O-CB 3.21Å; K149-C152 PolarHBondContact O-N 3.11Å; K149-C152 VanDerWaalsContact O-N 3.12Å; K149-I153 WeakPolarHBondContact O-CG1 3.23Å; K149-I153 PolarHBondContact O-N 3.3Å |
| 150 | G | 95 | Very high | 88.7 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 42% | 0.423 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E146 H147 I153 F154 | E146-G150 PolarHBondContact O-N 2.95Å; H147-G150 PolarHBondContact O-N 3.01Å; G150-I153 PolarHBondContact O-N 2.87Å; G150-F154 PolarHBondContact O-N 3.41Å |
| 151 | V | 95.4 | Very high | 89.5 | Confident | 53 Ų | 53 | 76 Ų | 76 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | Y69 H147 A148 K149 I153 F154 V155 | Y69-V151 HydrophobicContact CE1-CB 4.2Å; Y69-V151 HydrophobicContact CE1-CG1 3.94Å; H147-V151 WeakPolarHBondContact O-CG2 3.1Å; H147-V151 PolarHBondContact O-N 3.18Å; A148-V151 PolarHBondContact O-N 3.23Å; K149-V151 VanDerWaalsContact C-N 3.3Å; K149-V151 PolarHBondContact O-N 3.18Å; V151-I153 PolarHBondContact O-N 3.03Å; V151-F154 PolarHBondContact O-N 2.87Å; V151-V155 HydrophobicContact CG1-CG2 4.35Å; V151-V155 WeakPolarHBondContact O-CG2 3.41Å; V151-V155 PolarHBondContact O-N 3.33Å |
| 152 | C | 96.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 112 | Y69 N72 F121 A148 K149 F154 V155 W156 | Y69-C152 VanDerWaalsContact CD1-SG 3.52Å; N72-C152 PolarHBondContact ND2-SG 2.85Å; N72-C152 VanDerWaalsContact ND2-SG 3.44Å; F121-C152 HydrophobicContact CE1-CB 4.2Å; A148-C152 PolarHBondContact O-N 3.41Å; A148-C152 PolarHBondContact O-SG 3.34Å; K149-C152 WeakPolarHBondContact O-CB 3.21Å; K149-C152 PolarHBondContact O-N 3.11Å; K149-C152 VanDerWaalsContact O-N 3.12Å; C152-F154 VanDerWaalsContact C-N 3.34Å; C152-V155 PolarHBondContact O-N 3.45Å; C152-W156 PolarHBondContact O-N 3.32Å |
| 153 | I | 97.2 | Very high | 91.3 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 54% | 0.544 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 177.3 | -66.4 | 165.7 | 0 | 0 | 0 | 109.9 | K149 G150 V151 V155 W156 I157 | K149-I153 WeakPolarHBondContact O-CG1 3.23Å; K149-I153 PolarHBondContact O-N 3.3Å; G150-I153 PolarHBondContact O-N 2.87Å; V151-I153 PolarHBondContact O-N 3.03Å; I153-V155 PolarHBondContact O-N 3.48Å; I153-W156 PolarHBondContact O-N 2.6Å; I153-I157 HydrophobicContact CG2-CD1 3.96Å; I153-I157 WeakPolarHBondContact O-CG1 3.48Å; I153-I157 PolarHBondContact O-N 3.39Å |
| 154 | F | 97 | Very high | 91.9 | Very high | 129 Ų | 129 | 65.3 Ų | 65.3 | 57% | 0.566 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 176.2 | 173.8 | -99.9 | 0 | 0 | 0 | 112.4 | G150 V151 C152 W156 I157 L158 | G150-F154 PolarHBondContact O-N 3.41Å; V151-F154 PolarHBondContact O-N 2.87Å; C152-F154 VanDerWaalsContact C-N 3.34Å; F154-W156 VanDerWaalsContact C-N 3.33Å; F154-W156 PolarHBondContact O-N 3.07Å; F154-I157 PolarHBondContact O-N 3.01Å; F154-L158 PolarHBondContact O-N 3.23Å |
| 155 | V | 97.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 177.2 | 166.9 | 0 | 0 | 0 | 0 | 111 | N120 F121 V151 C152 I153 L158 V159 | N120-V155 HydrophobicContact CB-CG1 3.58Å; N120-V155 HydrophobicContact CB-CG2 4.35Å; F121-V155 HydrophobicContact CD1-CG1 4.33Å; F121-V155 HydrophobicContact CD2-CG1 4.16Å; F121-V155 HydrophobicContact CE1-CB 4.17Å; F121-V155 HydrophobicContact CE1-CG1 3.95Å; F121-V155 HydrophobicContact CE2-CG1 3.74Å; F121-V155 HydrophobicContact CG-CG1 4.41Å; F121-V155 HydrophobicContact CZ-CB 4.07Å; F121-V155 HydrophobicContact CZ-CG1 3.61Å; V151-V155 HydrophobicContact CG1-CG2 4.35Å; V151-V155 WeakPolarHBondContact O-CG2 3.41Å; V151-V155 PolarHBondContact O-N 3.33Å; C152-V155 PolarHBondContact O-N 3.45Å; I153-V155 PolarHBondContact O-N 3.48Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 2.79Å; V155-V159 HydrophobicContact CG1-CG2 4.22Å; V155-V159 WeakPolarHBondContact O-CB 3.48Å; V155-V159 VanDerWaalsContact O-CG2 3.26Å; V155-V159 WeakPolarHBondContact O-CG2 3.38Å; V155-V159 PolarHBondContact O-N 3.12Å |
| 156 | W | 97.6 | Very high | 92 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 17% | 0.167 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.8 | -79.1 | 117.4 | 0 | 0 | 0 | 112.5 | N72 I113 A117 F121 C152 I153 F154 L158 V159 F160 | N72-W156 HydrophobicContact CB-CZ2 4.35Å; N72-W156 PolarHBondContact OD1-NE1 3.35Å; I113-W156 HydrophobicContact CG2-CH2 4.39Å; I113-W156 HydrophobicContact CG2-CZ3 3.73Å; A117-W156 HydrophobicContact CB-CH2 4.27Å; A117-W156 HydrophobicContact CB-CZ3 4.34Å; F121-W156 AromaticContact CE2-CE2 3.98Å; F121-W156 HydrophobicContact CE2-CZ2 4.03Å; F121-W156 AromaticContact CZ-NE1 3.74Å; C152-W156 PolarHBondContact O-N 3.32Å; I153-W156 PolarHBondContact O-N 2.6Å; F154-W156 VanDerWaalsContact C-N 3.33Å; F154-W156 PolarHBondContact O-N 3.07Å; W156-L158 VanDerWaalsContact C-N 3.29Å; W156-L158 PolarHBondContact O-N 2.92Å; W156-V159 PolarHBondContact O-N 3.42Å; W156-F160 HydrophobicContact CB-CD2 4.34Å; W156-F160 HydrophobicContact CB-CE2 4.28Å; W156-F160 HydrophobicContact CD2-CE2 4.46Å; W156-F160 HydrophobicContact CE3-CD2 4.44Å; W156-F160 AromaticContact CE3-CE2 3.83Å; W156-F160 HydrophobicContact CE3-CE2 3.83Å; W156-F160 HydrophobicContact CE3-CZ 4.22Å; W156-F160 WeakPolarHBondContact O-CB 3.4Å; W156-F160 WeakPolarHBondContact O-CD2 3.27Å; W156-F160 PolarHBondContact O-N 3.02Å |
| 157 | I | 96.8 | Very high | 91.9 | Very high | 109 Ų | 109 | 56.1 Ų | 56.1 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.4 | -45.7 | 174.9 | -68.5 | 167 | 0 | 0 | 0 | 110.3 | I153 F154 F160 A161 | I153-I157 HydrophobicContact CG2-CD1 3.96Å; I153-I157 WeakPolarHBondContact O-CG1 3.48Å; I153-I157 PolarHBondContact O-N 3.39Å; F154-I157 PolarHBondContact O-N 3.01Å; I157-F160 PolarHBondContact O-N 3.39Å; I157-A161 VanDerWaalsContact O-CB 3.26Å; I157-A161 WeakPolarHBondContact O-CB 3.35Å; I157-A161 PolarHBondContact O-N 2.88Å |
| 158 | L | 94.9 | Very high | 91.6 | Very high | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 177.7 | -179.7 | 63.9 | 0 | 0 | 0 | 111.7 | F154 V155 W156 A161 Q162 I203 | F154-L158 PolarHBondContact O-N 3.23Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 2.79Å; W156-L158 VanDerWaalsContact C-N 3.29Å; W156-L158 PolarHBondContact O-N 2.92Å; L158-A161 PolarHBondContact O-N 3.01Å; L158-Q162 VanDerWaalsContact O-CG 3.3Å; L158-Q162 WeakPolarHBondContact O-CG 3.45Å; L158-Q162 PolarHBondContact O-N 3.01Å; L158-I203 HydrophobicContact CD1-CG2 4.28Å |
| 159 | V | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 178.8 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | I113 A117 V155 W156 A161 Q162 T163 | I113-V159 HydrophobicContact CB-CG1 4.22Å; I113-V159 HydrophobicContact CG1-CG1 4.05Å; I113-V159 HydrophobicContact CG2-CG1 4.07Å; A117-V159 HydrophobicContact CB-CG1 4.5Å; A117-V159 HydrophobicContact CB-CG2 4.27Å; V155-V159 HydrophobicContact CG1-CG2 4.22Å; V155-V159 WeakPolarHBondContact O-CB 3.48Å; V155-V159 VanDerWaalsContact O-CG2 3.26Å; V155-V159 WeakPolarHBondContact O-CG2 3.38Å; V155-V159 PolarHBondContact O-N 3.12Å; W156-V159 PolarHBondContact O-N 3.42Å; V159-A161 PolarHBondContact O-N 2.91Å; V159-Q162 PolarHBondContact O-N 3.41Å; V159-T163 WeakPolarHBondContact O-CG2 3.46Å; V159-T163 PolarHBondContact O-N 2.98Å; V159-T163 PolarHBondContact O-OG1 3.38Å; V159-T163 VanDerWaalsContact O-OG1 3.08Å |
| 160 | F | 93.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.3 | -75.9 | -61.6 | 0 | 0 | 0 | 111.4 | I113 W156 I157 Q162 T163 L164 | I113-F160 HydrophobicContact CD1-CD1 3.93Å; I113-F160 HydrophobicContact CD1-CE1 3.51Å; I113-F160 HydrophobicContact CD1-CZ 4.41Å; I113-F160 HydrophobicContact CG1-CE1 4.47Å; W156-F160 HydrophobicContact CB-CD2 4.34Å; W156-F160 HydrophobicContact CB-CE2 4.28Å; W156-F160 HydrophobicContact CD2-CE2 4.46Å; W156-F160 HydrophobicContact CE3-CD2 4.44Å; W156-F160 AromaticContact CE3-CE2 3.83Å; W156-F160 HydrophobicContact CE3-CE2 3.83Å; W156-F160 HydrophobicContact CE3-CZ 4.22Å; W156-F160 WeakPolarHBondContact O-CB 3.4Å; W156-F160 WeakPolarHBondContact O-CD2 3.27Å; W156-F160 PolarHBondContact O-N 3.02Å; I157-F160 PolarHBondContact O-N 3.39Å; F160-Q162 VanDerWaalsContact C-N 3.25Å; F160-Q162 PolarHBondContact O-N 2.9Å; F160-T163 PolarHBondContact O-N 3.08Å; F160-L164 WeakPolarHBondContact O-CB 3.34Å; F160-L164 PolarHBondContact O-N 3.23Å |
| 161 | A | 91.5 | Very high | 90.4 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I157 L158 V159 P165 | I157-A161 VanDerWaalsContact O-CB 3.26Å; I157-A161 WeakPolarHBondContact O-CB 3.35Å; I157-A161 PolarHBondContact O-N 2.88Å; L158-A161 PolarHBondContact O-N 3.01Å; V159-A161 PolarHBondContact O-N 2.91Å; A161-P165 WeakPolarHBondContact O-CD 3.45Å |
| 162 | Q | 87.9 | Confident | 90.1 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.8 | -35.7 | 176.6 | -72 | 176.8 | -52.2 | 0 | 0 | 113 | Y116 L158 V159 F160 G204 | Y116-Q162 HydrophobicContact CD2-CB 4.46Å; L158-Q162 VanDerWaalsContact O-CG 3.3Å; L158-Q162 WeakPolarHBondContact O-CG 3.45Å; L158-Q162 PolarHBondContact O-N 3.01Å; V159-Q162 PolarHBondContact O-N 3.41Å; F160-Q162 VanDerWaalsContact C-N 3.25Å; F160-Q162 PolarHBondContact O-N 2.9Å; Q162-G204 VanDerWaalsContact NE2-CA 3.31Å |
| 163 | T | 88.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -98.6 | -23.7 | -171.7 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | L109 I113 Y116 V159 F160 P165 L166 | L109-T163 WeakPolarHBondContact CD1-OG1 3.13Å; I113-T163 HydrophobicContact CG1-CG2 4.09Å; I113-T163 WeakPolarHBondContact CG1-OG1 3.31Å; Y116-T163 HydrophobicContact CD2-CG2 3.67Å; Y116-T163 HydrophobicContact CE2-CG2 4.19Å; V159-T163 WeakPolarHBondContact O-CG2 3.46Å; V159-T163 PolarHBondContact O-N 2.98Å; V159-T163 PolarHBondContact O-OG1 3.38Å; V159-T163 VanDerWaalsContact O-OG1 3.08Å; F160-T163 PolarHBondContact O-N 3.08Å; T163-P165 VanDerWaalsContact C-N 3.34Å; T163-L166 WeakPolarHBondContact O-CB 3.29Å; T163-L166 VanDerWaalsContact O-CG 3.28Å; T163-L166 WeakPolarHBondContact O-CG 3.32Å; T163-L166 PolarHBondContact O-N 2.89Å |
| 164 | L | 85.6 | Confident | 89.3 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -59 | -34.2 | -178 | -157.7 | 72.9 | 0 | 0 | 0 | 114.1 | F160 L166 L167 | F160-L164 WeakPolarHBondContact O-CB 3.34Å; F160-L164 PolarHBondContact O-N 3.23Å; L164-L166 PolarHBondContact O-N 2.82Å; L164-L167 HydrophobicContact CD1-CD1 3.69Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.44Å |
| 165 | P | 83.5 | Confident | 88.7 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 38% | 0.377 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -56.2 | -22.6 | 174 | -27.9 | 36.9 | 0 | 0 | 0 | 114.3 | A161 T163 L167 I168 | A161-P165 WeakPolarHBondContact O-CD 3.45Å; T163-P165 VanDerWaalsContact C-N 3.34Å; P165-L167 PolarHBondContact O-N 3.11Å; P165-I168 WeakPolarHBondContact O-CB 3.36Å; P165-I168 PolarHBondContact O-N 3.39Å; P165-I168 VanDerWaalsContact O-N 3.17Å |
| 166 | L | 78.8 | Confident | 88 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -67.7 | -19 | 174.8 | -57.4 | 174.1 | 0 | 0 | 0 | 113.2 | Y112 T163 L164 I168 | Y112-L166 HydrophobicContact CD2-CD1 3.32Å; Y112-L166 HydrophobicContact CE2-CD1 4.05Å; Y112-L166 HydrophobicContact CG-CD1 3.73Å; T163-L166 WeakPolarHBondContact O-CB 3.29Å; T163-L166 VanDerWaalsContact O-CG 3.28Å; T163-L166 WeakPolarHBondContact O-CG 3.32Å; T163-L166 PolarHBondContact O-N 2.89Å; L164-L166 PolarHBondContact O-N 2.82Å; L166-I168 VanDerWaalsContact C-N 3.33Å |
| 167 | L | 83.3 | Confident | 87.5 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -81 | -15.4 | 174.7 | -63.7 | -175.7 | 0 | 0 | 0 | 112.7 | R105 L109 L164 P165 | R105-L167 HydrophobicContact CB-CD2 3.93Å; R105-L167 WeakPolarHBondContact CD-O 3.38Å; R105-L167 PolarHBondContact NH1-O 3.12Å; L109-L167 HydrophobicContact CB-CD2 4.17Å; L109-L167 HydrophobicContact CD1-CG 4.32Å; L109-L167 HydrophobicContact CD2-CD1 4.11Å; L109-L167 HydrophobicContact CD2-CD2 4.17Å; L109-L167 HydrophobicContact CD2-CG 4.37Å; L164-L167 HydrophobicContact CD1-CD1 3.69Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.44Å; P165-L167 PolarHBondContact O-N 3.11Å |
| 168 | I | 82.9 | Confident | 87.1 | Confident | 125 Ų | 125 | 65.7 Ų | 65.7 | 64% | 0.641 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -45.6 | -174.6 | -57.3 | 175.6 | 0 | 0 | 0 | 110.3 | R105 P165 L166 | R105-I168 PolarHBondContact NH1-O 2.98Å; P165-I168 WeakPolarHBondContact O-CB 3.36Å; P165-I168 PolarHBondContact O-N 3.39Å; P165-I168 VanDerWaalsContact O-N 3.17Å; L166-I168 VanDerWaalsContact C-N 3.33Å |
| 169 | N | 81.8 | Confident | 86.9 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -91.7 | 145.9 | -177.7 | -62.7 | -57.8 | 0 | 0 | 0 | 111.6 | R105 M171 | R105-N169 VanDerWaalsContact CZ-C 3.45Å; R105-N169 VanDerWaalsContact CZ-O 3.29Å; R105-N169 PolarHBondContact NE-O 2.86Å; R105-N169 PolarHBondContact NH1-O 2.95Å; N169-M171 PolarHBondContact O-N 3.43Å |
| 170 | P | 85.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | trans | -53.8 | 132.8 | 169.5 | -23.1 | 32.8 | 0 | 0 | 0 | 111.3 | R105 | R105-P170 VanDerWaalsContact NH2-CA 3.25Š| ||
| 171 | M | 86.2 | Confident | 86.6 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | trans | -105.6 | -10.9 | 175.9 | -71.2 | -67.3 | -78.3 | 0 | 0 | 111.4 | D101 C104 R105 A108 N169 M182 N186 F187 | D101-M171 PolarHBondContact OD1-N 3.35Å; C104-M171 VanDerWaalsContact SG-C 3.58Å; C104-M171 PolarHBondContact SG-O 2.96Å; R105-M171 HydrophobicContact CG-CB 3.98Å; R105-M171 HydrophobicContact CG-CG 3.91Å; A108-M171 HydrophobicContact CB-CE 3.58Å; A108-M171 HydrophobicContact CB-CG 4.41Å; N169-M171 PolarHBondContact O-N 3.43Å; M171-M182 HydrophobicContact CE-CB 4.26Å; M171-M182 HydrophobicContact CE-CG 4.11Å; M171-M182 PolarHBondContact O-N 3.48Å; M171-N186 PolarHBondContact O-ND2 3.04Å; M171-F187 HydrophobicContact CE-CE1 4.44Å; M171-F187 HydrophobicContact SD-CD1 4.24Å | ||
| 172 | S | 90.3 | Very high | 86.4 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 147.1 | 168.3 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | D101 T180 | D101-S172 VanDerWaalsContact CB-OG 3.23Å; D101-S172 WeakPolarHBondContact CB-OG 3.33Å; D101-S172 PolarHBondContact OD1-N 3.43Å; D101-S172 PolarHBondContact OD1-OG 3.15Å; S172-T180 WeakPolarHBondContact CA-O 3.47Å; S172-T180 VanDerWaalsContact CB-O 3.29Å; S172-T180 WeakPolarHBondContact CB-O 3.34Å |
| 173 | K | 89.8 | Confident | 86.3 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141.2 | 175.9 | -172.6 | 175 | 178.7 | 177.1 | 0 | 109.6 | I179 T180 N186 E189 | K173-I179 WeakPolarHBondContact O-CA 3.37Å; K173-T180 PolarHBondContact N-O 3.12Å; K173-T180 VanDerWaalsContact N-O 3.14Å; K173-T180 PolarHBondContact O-N 2.95Å; K173-T180 PolarHBondContact O-OG1 3.4Å; K173-N186 HydrophobicContact CB-CB 4.08Å; K173-E189 IonicContact NZ-OE1 3.86Å; K173-E189 PolarHBondContact NZ-OE1 3.4Å |
| 174 | Q | 87.6 | Confident | 86 | Confident | 118 Ų | 118 | 58.7 Ų | 58.7 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.6 | 170.5 | -176.6 | 70.7 | 33.7 | 0 | 0 | 108.6 | A176 R178 | Q174-A176 PolarHBondContact NE2-O 2.97Å; Q174-R178 PolarHBondContact NE2-O 3.09Å |
| 175 | E | 83.8 | Confident | 85.6 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 104.1 | 179.5 | -164.8 | 79.1 | 179.9 | 0 | 0 | 108.8 | Y24 E177 R178 T180 | Y24-E175 HydrophobicContact CE2-CG 4.02Å; E175-E177 PolarHBondContact O-N 3.25Å; E175-E177 VanDerWaalsContact O-N 3.11Å; E175-R178 PolarHBondContact N-O 3.06Å; E175-R178 WeakPolarHBondContact O-CG 3.32Å; E175-R178 PolarHBondContact O-N 3.06Å; E175-R178 VanDerWaalsContact O-N 3.1Å; E175-T180 HydrophobicContact CB-CG2 4.02Å |
| 176 | A | 83.1 | Confident | 85.3 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 77% | 0.769 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | -114.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q174 | Q174-A176 PolarHBondContact NE2-O 2.97Š|
| 177 | E | 86.1 | Confident | 85.2 | Confident | 189 Ų | 189 | 52.2 Ų | 52.2 | 88% | 0.883 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.6 | -176.3 | -60.3 | -172.9 | 166.4 | 0 | 0 | 114.7 | E175 | E175-E177 PolarHBondContact O-N 3.25Å; E175-E177 VanDerWaalsContact O-N 3.11Å |
| 178 | R | 89.4 | Confident | 85 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 158.1 | -176.4 | 56.9 | -179.4 | 161.2 | -159.8 | -6.9 | 112.6 | G94 D96 Q174 E175 T180 | G94-R178 PolarHBondContact O-NH1 2.95Å; D96-R178 HydrophobicContact CB-CB 4.08Å; Q174-R178 PolarHBondContact NE2-O 3.09Å; E175-R178 PolarHBondContact N-O 3.06Å; E175-R178 WeakPolarHBondContact O-CG 3.32Å; E175-R178 PolarHBondContact O-N 3.06Å; E175-R178 VanDerWaalsContact O-N 3.1Å; R178-T180 HydrophobicContact CG-CG2 4.46Å |
| 179 | I | 90.8 | Very high | 84.7 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.8 | 171.1 | -62.6 | 169.2 | 0 | 0 | 0 | 108.2 | D96 W97 K173 | D96-I179 PolarHBondContact OD1-N 3.35Å; D96-I179 VanDerWaalsContact OD1-N 3.15Å; W97-I179 WeakPolarHBondContact CA-O 3.37Å; W97-I179 HydrophobicContact CB-CG2 4.42Å; W97-I179 VanDerWaalsContact CB-O 3.25Å; W97-I179 WeakPolarHBondContact CB-O 3.35Å; W97-I179 PolarHBondContact N-O 2.98Å; W97-I179 WeakPolarHBondContact O-CB 3.41Å; K173-I179 WeakPolarHBondContact O-CA 3.37Å |
| 180 | T | 91.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 155.8 | 177.4 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | Y24 S172 K173 E175 R178 N186 | Y24-T180 HydrophobicContact CE1-CG2 4.16Å; Y24-T180 HydrophobicContact CE2-CG2 4.44Å; S172-T180 WeakPolarHBondContact CA-O 3.47Å; S172-T180 VanDerWaalsContact CB-O 3.29Å; S172-T180 WeakPolarHBondContact CB-O 3.34Å; K173-T180 PolarHBondContact N-O 3.12Å; K173-T180 VanDerWaalsContact N-O 3.14Å; K173-T180 PolarHBondContact O-N 2.95Å; K173-T180 PolarHBondContact O-OG1 3.4Å; E175-T180 HydrophobicContact CB-CG2 4.02Å; R178-T180 HydrophobicContact CG-CG2 4.46Å; T180-N186 PolarHBondContact O-ND2 2.85Å; T180-N186 PolarHBondContact OG1-ND2 3.44Å; T180-N186 VanDerWaalsContact OG1-ND2 3.17Å; T180-N186 PolarHBondContact OG1-OD1 3.25Å |
| 181 | C | 91.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130.3 | -178.5 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | R87 Y90 W97 C104 E183 | R87-C181 PolarHBondContact NH1-O 3.11Å; Y90-C181 HydrophobicContact CD2-CB 4.46Å; Y90-C181 HydrophobicContact CE2-CB 4.08Å; Y90-C181 PolarHBondContact OH-N 3.25Å; Y90-C181 PolarHBondContact OH-O 2.95Å; W97-C181 HydrophobicContact CB-CB 3.62Å; W97-C181 HydrophobicContact CD2-CB 3.8Å; W97-C181 HydrophobicContact CE3-CB 4.13Å; W97-C181 HydrophobicContact CG-CB 3.56Å; C104-C181 WeakPolarHBondContact CA-SG 3.49Å; C104-C181 HydrophobicContact CB-CB 4.06Å; C104-C181 WeakPolarHBondContact CB-SG 3.4Å; C104-C181 WeakPolarHBondContact SG-CA 3.32Å; C104-C181 WeakPolarHBondContact SG-CB 3.48Å; C104-C181 CovalentContact SG-SG 2.03Å; C104-C181 PolarHBondContact SG-SG 3.49Å; C181-E183 PolarHBondContact O-N 3.16Å |
| 182 | M | 87.6 | Confident | 84.1 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 57.5 | 29.6 | -177.2 | -50 | 174.9 | 46.6 | 0 | 0 | 114.6 | T107 A108 F111 Y112 M171 | T107-M182 HydrophobicContact CG2-SD 4.22Å; A108-M182 WeakPolarHBondContact CA-SD 3.48Å; A108-M182 HydrophobicContact CB-CE 3.88Å; A108-M182 HydrophobicContact CB-CG 3.72Å; A108-M182 HydrophobicContact CB-SD 3.64Å; A108-M182 PolarHBondContact N-SD 3.48Å; F111-M182 HydrophobicContact CB-CE 4.22Å; F111-M182 HydrophobicContact CD1-CE 4.39Å; F111-M182 HydrophobicContact CG-CE 4.35Å; Y112-M182 HydrophobicContact CE2-CE 4.21Å; M171-M182 HydrophobicContact CE-CB 4.26Å; M171-M182 HydrophobicContact CE-CG 4.11Å; M171-M182 PolarHBondContact O-N 3.48Å |
| 183 | E | 85.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | trans | -92.1 | 143.2 | 175.4 | -59.5 | -58.8 | 145.5 | 0 | 0 | 110 | Y24 R87 Y90 C181 P185 N186 F187 Q287 H291 | Y24-E183 HydrophobicContact CE1-CB 4.47Å; Y24-E183 HydrophobicContact CE1-CG 4.07Å; Y24-E183 WeakPolarHBondContact OH-CB 3.37Å; R87-E183 IonicContact CZ-OE1 3.11Å; R87-E183 IonicContact NH1-OE1 2.8Å; R87-E183 IonicContact NH2-OE1 2.9Å; R87-E183 PolarHBondContact NH2-OE1 3.17Å; Y90-E183 WeakPolarHBondContact CE1-OE1 3.49Å; Y90-E183 WeakPolarHBondContact OH-CG 3.45Å; Y90-E183 PolarHBondContact OH-OE1 2.99Å; C181-E183 PolarHBondContact O-N 3.16Å; E183-P185 VanDerWaalsContact C-N 3.3Å; E183-N186 WeakPolarHBondContact O-CB 3.29Å; E183-N186 PolarHBondContact O-N 3.2Å; E183-F187 WeakPolarHBondContact O-CE1 3.44Å; E183-Q287 PolarHBondContact OE2-NE2 2.97Å; E183-H291 IonicContact OE1-NE2 3.79Å; E183-H291 IonicContact OE2-CD2 3.18Å; E183-H291 IonicContact OE2-CE1 2.69Å; E183-H291 IonicContact OE2-NE2 3.61Å; E183-H291 PolarHBondContact OE2-NE2 2.92Å | ||
| 184 | Y | 82.7 | Confident | 83.6 | Confident | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -50.8 | -42.2 | 179.5 | 173 | -98.1 | 0 | 0 | 0 | 114.2 | N186 F187 E188 L193 H267 M268 F286 L290 | Y184-N186 PolarHBondContact O-N 3.28Å; Y184-N186 VanDerWaalsContact O-N 3.08Å; Y184-F187 AromaticContact CD2-CE2 3.77Å; Y184-F187 HydrophobicContact CD2-CE2 3.77Å; Y184-F187 HydrophobicContact CD2-CZ 4.26Å; Y184-F187 HydrophobicContact CE2-CE2 4.37Å; Y184-F187 PolarHBondContact O-N 2.87Å; Y184-E188 HydrophobicContact CD1-CB 4.45Å; Y184-E188 HydrophobicContact CE1-CB 3.95Å; Y184-E188 VanDerWaalsContact CE1-CD 3.49Å; Y184-E188 HydrophobicContact CE1-CG 3.71Å; Y184-E188 PolarHBondContact O-N 2.9Å; Y184-L193 HydrophobicContact CE2-CD2 4.05Å; Y184-H267 AromaticContact CE1-NE2 3.43Å; Y184-H267 WeakPolarHBondContact CE1-NE2 3.45Å; Y184-H267 AromaticContact CE2-CD2 3.97Å; Y184-H267 AromaticContact CZ-CD2 3.58Å; Y184-H267 AromaticContact CZ-NE2 3.26Å; Y184-H267 VanDerWaalsContact CZ-NE2 3.26Å; Y184-H267 PolarHBondContact OH-CD2 3.28Å; Y184-H267 PolarHBondContact OH-NE2 2.86Å; Y184-M268 HydrophobicContact CE2-CE 3.6Å; Y184-F286 HydrophobicContact CD1-CD1 4.17Å; Y184-F286 AromaticContact CD1-CE1 3.79Å; Y184-F286 HydrophobicContact CD1-CE1 3.79Å; Y184-F286 AromaticContact CD2-CE1 3.8Å; Y184-F286 HydrophobicContact CD2-CE1 3.8Å; Y184-F286 HydrophobicContact CD2-CZ 4.4Å; Y184-F286 HydrophobicContact CE1-CD1 4.34Å; Y184-F286 HydrophobicContact CE1-CE1 4.04Å; Y184-F286 HydrophobicContact CE2-CE1 4.06Å; Y184-F286 HydrophobicContact CG-CD1 4.45Å; Y184-F286 AromaticContact CG-CE1 3.67Å; Y184-F286 HydrophobicContact CG-CE1 3.67Å; Y184-L290 HydrophobicContact CG-CD2 4.49Å |
| 185 | P | 77 | Confident | 83.7 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -59.4 | -21.2 | 177.5 | -26.3 | 38 | 0 | 0 | 0 | 114.1 | L23 E183 F187 | L23-P185 HydrophobicContact CD1-CB 4.26Å; L23-P185 HydrophobicContact CD1-CG 3.51Å; E183-P185 VanDerWaalsContact C-N 3.3Å; P185-F187 PolarHBondContact O-N 3.44Å |
| 186 | N | 77.3 | Confident | 83.9 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -67.7 | -26.7 | -176.9 | -62.2 | 6.8 | 0 | 0 | 0 | 112.2 | M171 K173 T180 E183 Y184 | M171-N186 PolarHBondContact O-ND2 3.04Å; K173-N186 HydrophobicContact CB-CB 4.08Å; T180-N186 PolarHBondContact O-ND2 2.85Å; T180-N186 PolarHBondContact OG1-ND2 3.44Å; T180-N186 VanDerWaalsContact OG1-ND2 3.17Å; T180-N186 PolarHBondContact OG1-OD1 3.25Å; E183-N186 WeakPolarHBondContact O-CB 3.29Å; E183-N186 PolarHBondContact O-N 3.2Å; Y184-N186 PolarHBondContact O-N 3.28Å; Y184-N186 VanDerWaalsContact O-N 3.08Å |
| 187 | F | 76.4 | Confident | 84.2 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 3.8 | -176.9 | 49.4 | -95.1 | 0 | 0 | 0 | 113.2 | M171 E183 Y184 P185 E189 T190 L193 | M171-F187 HydrophobicContact CE-CE1 4.44Å; M171-F187 HydrophobicContact SD-CD1 4.24Å; E183-F187 WeakPolarHBondContact O-CE1 3.44Å; Y184-F187 AromaticContact CD2-CE2 3.77Å; Y184-F187 HydrophobicContact CD2-CE2 3.77Å; Y184-F187 HydrophobicContact CD2-CZ 4.26Å; Y184-F187 HydrophobicContact CE2-CE2 4.37Å; Y184-F187 PolarHBondContact O-N 2.87Å; P185-F187 PolarHBondContact O-N 3.44Å; F187-E189 PolarHBondContact O-N 3.07Å; F187-T190 WeakPolarHBondContact O-CB 3.4Å; F187-T190 PolarHBondContact O-N 3.26Å; F187-T190 VanDerWaalsContact O-N 3.11Å; F187-T190 PolarHBondContact O-OG1 3.34Å; F187-L193 HydrophobicContact CD2-CD1 3.57Å; F187-L193 HydrophobicContact CD2-CD2 3.66Å; F187-L193 HydrophobicContact CD2-CG 4.25Å; F187-L193 HydrophobicContact CE2-CD1 4.19Å; F187-L193 HydrophobicContact CE2-CD2 4.17Å; F187-L193 HydrophobicContact CG-CD1 4.49Å |
| 188 | E | 79.4 | Confident | 84.6 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35.1 | -179.8 | -175.5 | 174.1 | -170.4 | 0 | 0 | 112.7 | Y184 T190 K271 R283 | Y184-E188 HydrophobicContact CD1-CB 4.45Å; Y184-E188 HydrophobicContact CE1-CB 3.95Å; Y184-E188 VanDerWaalsContact CE1-CD 3.49Å; Y184-E188 HydrophobicContact CE1-CG 3.71Å; Y184-E188 PolarHBondContact O-N 2.9Å; E188-T190 PolarHBondContact O-N 3.44Å; E188-T190 VanDerWaalsContact O-N 3.16Å; E188-K271 VanDerWaalsContact CG-NZ 3.29Å; E188-K271 PolarHBondContact O-NZ 3.26Å; E188-R283 IonicContact OE1-CZ 3.99Å; E188-R283 IonicContact OE1-NE 3.76Å |
| 189 | E | 75.1 | Confident | 84.7 | Confident | 156 Ų | 156 | 48.4 Ų | 48.4 | 73% | 0.729 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -10 | -177.3 | -65.2 | 173.9 | -149.3 | 0 | 0 | 113.6 | K173 F187 K191 | K173-E189 IonicContact NZ-OE1 3.86Å; K173-E189 PolarHBondContact NZ-OE1 3.4Å; F187-E189 PolarHBondContact O-N 3.07Å; E189-K191 PolarHBondContact O-N 3.08Å; E189-K191 VanDerWaalsContact O-N 3.17Å |
| 190 | T | 79.3 | Confident | 84.7 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | trans | -70.4 | 111.6 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | F187 E188 S192 L193 | F187-T190 WeakPolarHBondContact O-CB 3.4Å; F187-T190 PolarHBondContact O-N 3.26Å; F187-T190 VanDerWaalsContact O-N 3.11Å; F187-T190 PolarHBondContact O-OG1 3.34Å; E188-T190 PolarHBondContact O-N 3.44Å; E188-T190 VanDerWaalsContact O-N 3.16Å; T190-S192 VanDerWaalsContact C-N 3.29Å; T190-S192 PolarHBondContact O-N 3.38Å; T190-L193 HydrophobicContact CG2-CB 4.24Å; T190-L193 WeakPolarHBondContact O-CB 3.36Å; T190-L193 PolarHBondContact O-N 3.16Å | ||
| 191 | K | 78 | Confident | 84.8 | Confident | 201 Ų | 201 | 46.9 Ų | 46.9 | 87% | 0.874 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -37 | -175.8 | -66.3 | -177.4 | -179.6 | 178.1 | 0 | 114 | E189 L193 | E189-K191 PolarHBondContact O-N 3.08Å; E189-K191 VanDerWaalsContact O-N 3.17Å; K191-L193 VanDerWaalsContact C-N 3.33Å |
| 192 | S | 83.4 | Confident | 84.9 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 42% | 0.42 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -4.8 | 179.5 | 49.9 | 0 | 0 | 0 | 0 | 114 | T190 P194 W195 I196 | T190-S192 VanDerWaalsContact C-N 3.29Å; T190-S192 PolarHBondContact O-N 3.38Å; S192-P194 VanDerWaalsContact C-CD 3.46Å; S192-W195 PolarHBondContact O-N 3.46Å; S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 2.86Å; S192-I196 VanDerWaalsContact O-N 3.1Å |
| 193 | L | 84.1 | Confident | 85.2 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.8 | -45.6 | -175.6 | -175 | 76.8 | 0 | 0 | 0 | 113.7 | Y184 F187 T190 K191 W195 I196 L197 | Y184-L193 HydrophobicContact CE2-CD2 4.05Å; F187-L193 HydrophobicContact CD2-CD1 3.57Å; F187-L193 HydrophobicContact CD2-CD2 3.66Å; F187-L193 HydrophobicContact CD2-CG 4.25Å; F187-L193 HydrophobicContact CE2-CD1 4.19Å; F187-L193 HydrophobicContact CE2-CD2 4.17Å; F187-L193 HydrophobicContact CG-CD1 4.49Å; T190-L193 HydrophobicContact CG2-CB 4.24Å; T190-L193 WeakPolarHBondContact O-CB 3.36Å; T190-L193 PolarHBondContact O-N 3.16Å; K191-L193 VanDerWaalsContact C-N 3.33Å; L193-W195 VanDerWaalsContact C-N 3.34Å; L193-W195 PolarHBondContact O-N 2.89Å; L193-I196 PolarHBondContact O-N 3.25Å; L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.95Å; L193-L197 HydrophobicContact CD2-CD1 4.18Å; L193-L197 HydrophobicContact CG-CD1 3.78Å; L193-L197 HydrophobicContact CG-CG 4.1Å; L193-L197 WeakPolarHBondContact O-CB 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.37Å; L193-L197 PolarHBondContact O-N 3.42Å |
| 194 | P | 87.1 | Confident | 85.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | -177 | -22.1 | 34.4 | 0 | 0 | 0 | 112.8 | S192 L198 M268 K271 L272 | S192-P194 VanDerWaalsContact C-CD 3.46Å; P194-L198 VanDerWaalsContact O-CB 3.26Å; P194-L198 WeakPolarHBondContact O-CB 3.27Å; P194-L198 WeakPolarHBondContact O-CG 3.39Å; P194-L198 PolarHBondContact O-N 3.27Å; P194-M268 HydrophobicContact CB-CB 4.21Å; P194-M268 HydrophobicContact CB-SD 4.03Å; P194-M268 HydrophobicContact CG-SD 4.29Å; P194-K271 HydrophobicContact CG-CD 4.04Å; P194-K271 HydrophobicContact CG-CG 4.25Å; P194-L272 HydrophobicContact CB-CD1 4.01Å; P194-L272 HydrophobicContact CB-CD2 3.8Å; P194-L272 HydrophobicContact CB-CG 3.67Å; P194-L272 HydrophobicContact CG-CD2 4.19Å; P194-L272 HydrophobicContact CG-CG 4.36Å |
| 195 | W | 89.4 | Confident | 86 | Confident | 176 Ų | 176 | 55 Ų | 55 | 67% | 0.667 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 178 | -67 | 113.4 | 0 | 0 | 0 | 112 | S192 L193 G199 L272 | S192-W195 PolarHBondContact O-N 3.46Å; L193-W195 VanDerWaalsContact C-N 3.34Å; L193-W195 PolarHBondContact O-N 2.89Å; W195-G199 PolarHBondContact O-N 2.94Å; W195-L272 HydrophobicContact CD2-CD1 4.38Å; W195-L272 HydrophobicContact CH2-CD1 4.31Å; W195-L272 HydrophobicContact CZ2-CD1 4.13Å; W195-L272 HydrophobicContact CZ2-CD2 4.19Å; W195-L272 HydrophobicContact CZ3-CD1 4.5Å |
| 196 | I | 88.4 | Confident | 86.8 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 46% | 0.456 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -49.6 | 177.8 | -65.7 | 166.7 | 0 | 0 | 0 | 110.4 | S192 L193 G199 A200 | S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 2.86Å; S192-I196 VanDerWaalsContact O-N 3.1Å; L193-I196 PolarHBondContact O-N 3.25Å; I196-G199 PolarHBondContact O-N 2.96Å; I196-A200 WeakPolarHBondContact O-CB 3.42Å; I196-A200 PolarHBondContact O-N 3.31Å |
| 197 | L | 89.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.3 | -36.5 | -178.4 | -70.5 | -175.6 | 0 | 0 | 0 | 112.6 | L193 A200 C201 I264 M268 | L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.95Å; L193-L197 HydrophobicContact CD2-CD1 4.18Å; L193-L197 HydrophobicContact CG-CD1 3.78Å; L193-L197 HydrophobicContact CG-CG 4.1Å; L193-L197 WeakPolarHBondContact O-CB 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.37Å; L193-L197 PolarHBondContact O-N 3.42Å; L197-A200 PolarHBondContact O-N 3.27Å; L197-C201 WeakPolarHBondContact O-CB 3.18Å; L197-C201 PolarHBondContact O-N 3.43Å; L197-C201 PolarHBondContact O-SG 3.39Å; L197-I264 HydrophobicContact CB-CG2 4.19Å; L197-I264 HydrophobicContact CD1-CG2 4.42Å; L197-M268 HydrophobicContact CB-CG 4Å; L197-M268 HydrophobicContact CB-SD 4.38Å; L197-M268 HydrophobicContact CD1-CE 4.29Å; L197-M268 HydrophobicContact CD1-CG 4.33Å; L197-M268 HydrophobicContact CD1-SD 3.87Å |
| 198 | L | 92.6 | Very high | 88.5 | Confident | 34 Ų | 34 | 58 Ų | 58 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 173.7 | -75.9 | 171.1 | 0 | 0 | 0 | 111.5 | P194 A200 C201 F202 I265 M268 I269 L272 | P194-L198 VanDerWaalsContact O-CB 3.26Å; P194-L198 WeakPolarHBondContact O-CB 3.27Å; P194-L198 WeakPolarHBondContact O-CG 3.39Å; P194-L198 PolarHBondContact O-N 3.27Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-C201 PolarHBondContact O-N 2.92Å; L198-F202 WeakPolarHBondContact O-CB 3.46Å; L198-F202 PolarHBondContact O-N 3.33Å; L198-I265 HydrophobicContact CD2-CB 4.25Å; L198-I265 HydrophobicContact CD2-CG1 4.16Å; L198-I265 HydrophobicContact CD2-CG2 4.03Å; L198-M268 HydrophobicContact CD1-CB 4.15Å; L198-M268 HydrophobicContact CD2-CB 4.06Å; L198-M268 HydrophobicContact CG-CB 3.82Å; L198-I269 HydrophobicContact CD1-CG1 4.42Å; L198-I269 HydrophobicContact CD2-CG1 4.23Å; L198-L272 HydrophobicContact CD1-CD1 3.71Å |
| 199 | G | 91.9 | Very high | 89.2 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 32% | 0.32 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | W195 I196 F202 I203 | W195-G199 PolarHBondContact O-N 2.94Å; I196-G199 PolarHBondContact O-N 2.96Å; G199-F202 PolarHBondContact O-N 3Å; G199-I203 WeakPolarHBondContact O-CG1 3.3Å; G199-I203 PolarHBondContact O-N 3.4Å |
| 200 | A | 90.7 | Very high | 90.1 | Very high | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I196 L197 L198 F202 G204 | I196-A200 WeakPolarHBondContact O-CB 3.42Å; I196-A200 PolarHBondContact O-N 3.31Å; L197-A200 PolarHBondContact O-N 3.27Å; L198-A200 VanDerWaalsContact C-N 3.35Å; A200-F202 VanDerWaalsContact C-N 3.34Å; A200-F202 PolarHBondContact O-N 3.48Å; A200-G204 VanDerWaalsContact O-CA 3.28Å; A200-G204 WeakPolarHBondContact O-CA 3.46Å; A200-G204 PolarHBondContact O-N 3.08Å |
| 201 | C | 93.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 175.7 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | L197 L198 Y205 V206 I265 | L197-C201 WeakPolarHBondContact O-CB 3.18Å; L197-C201 PolarHBondContact O-N 3.43Å; L197-C201 PolarHBondContact O-SG 3.39Å; L198-C201 PolarHBondContact O-N 2.92Å; C201-Y205 WeakPolarHBondContact O-CA 3.24Å; C201-Y205 WeakPolarHBondContact O-CB 3.41Å; C201-Y205 PolarHBondContact O-N 3.44Å; C201-V206 PolarHBondContact O-N 3.27Å; C201-I265 HydrophobicContact CB-CD1 4Å; C201-I265 HydrophobicContact CB-CG1 3.83Å |
| 202 | F | 94.1 | Very high | 91.4 | Very high | 115 Ų | 115 | 46.1 Ų | 46.1 | 50% | 0.504 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -65 | -53.4 | 178.8 | -178.8 | -100 | 0 | 0 | 0 | 111.3 | L198 G199 A200 V206 L207 | L198-F202 WeakPolarHBondContact O-CB 3.46Å; L198-F202 PolarHBondContact O-N 3.33Å; G199-F202 PolarHBondContact O-N 3Å; A200-F202 VanDerWaalsContact C-N 3.34Å; A200-F202 PolarHBondContact O-N 3.48Å; F202-V206 HydrophobicContact CD2-CB 4.06Å; F202-V206 HydrophobicContact CD2-CG1 4.1Å; F202-V206 HydrophobicContact CE2-CG1 4.24Å; F202-V206 PolarHBondContact O-N 2.88Å; F202-L207 WeakPolarHBondContact O-CB 3.19Å; F202-L207 PolarHBondContact O-N 3.27Å |
| 203 | I | 92.7 | Very high | 91.8 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 41% | 0.405 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -70.6 | -42.7 | -178.7 | -60.5 | 171.9 | 0 | 0 | 0 | 110.7 | L158 G199 P208 | L158-I203 HydrophobicContact CD1-CG2 4.28Å; G199-I203 WeakPolarHBondContact O-CG1 3.3Å; G199-I203 PolarHBondContact O-N 3.4Å; I203-P208 WeakPolarHBondContact O-CD 3.48Å |
| 204 | G | 91.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -86.1 | -10.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V119 Q162 A200 | V119-G204 WeakPolarHBondContact CG1-O 3.31Å; Q162-G204 VanDerWaalsContact NE2-CA 3.31Å; A200-G204 VanDerWaalsContact O-CA 3.28Å; A200-G204 WeakPolarHBondContact O-CA 3.46Å; A200-G204 PolarHBondContact O-N 3.08Å |
| 205 | Y | 94 | Very high | 92.3 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -143.8 | -53.8 | -179.4 | 171.9 | -100 | 0 | 0 | 0 | 114.3 | C201 L207 P208 L209 F253 F257 T258 H261 | C201-Y205 WeakPolarHBondContact O-CA 3.24Å; C201-Y205 WeakPolarHBondContact O-CB 3.41Å; C201-Y205 PolarHBondContact O-N 3.44Å; Y205-L207 PolarHBondContact O-N 2.81Å; Y205-P208 WeakPolarHBondContact O-CD 3.18Å; Y205-L209 HydrophobicContact CE1-CD2 4.19Å; Y205-L209 VanDerWaalsContact O-CB 3.3Å; Y205-L209 WeakPolarHBondContact O-CB 3.46Å; Y205-L209 PolarHBondContact O-N 3.22Å; Y205-F253 HydrophobicContact CD2-CD1 4.44Å; Y205-F253 HydrophobicContact CD2-CE1 4.48Å; Y205-F253 AromaticContact CE2-CD1 3.96Å; Y205-F253 HydrophobicContact CE2-CD1 3.96Å; Y205-F253 HydrophobicContact CE2-CE1 4.44Å; Y205-F257 HydrophobicContact CD2-CB 4.01Å; Y205-F257 HydrophobicContact CE2-CB 3.74Å; Y205-T258 VanDerWaalsContact OH-CA 3.3Å; Y205-T258 WeakPolarHBondContact OH-CA 3.42Å; Y205-T258 WeakPolarHBondContact OH-CB 3.38Å; Y205-T258 PolarHBondContact OH-OG1 3.29Å; Y205-H261 WeakPolarHBondContact CB-CD2 3.48Å; Y205-H261 WeakPolarHBondContact CB-NE2 3Å; Y205-H261 HydrophobicContact CD1-CB 3.45Å; Y205-H261 VanDerWaalsContact CD1-CB 3.45Å; Y205-H261 AromaticContact CD1-CG 3.64Å; Y205-H261 HydrophobicContact CD2-CB 4.35Å; Y205-H261 AromaticContact CD2-CE1 3.89Å; Y205-H261 AromaticContact CD2-CG 3.82Å; Y205-H261 AromaticContact CD2-ND1 3.54Å; Y205-H261 HydrophobicContact CE1-CB 3.79Å; Y205-H261 HydrophobicContact CG-CB 3.78Å; Y205-H261 AromaticContact CG-CD2 3.65Å; Y205-H261 AromaticContact CG-CE1 3.97Å; Y205-H261 AromaticContact CG-CG 3.38Å; Y205-H261 AromaticContact CG-ND1 3.61Å |
| 206 | V | 95 | Very high | 92.1 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -63 | -48.3 | -174 | 179 | 0 | 0 | 0 | 0 | 111.5 | C201 F202 L209 I210 I265 | C201-V206 PolarHBondContact O-N 3.27Å; F202-V206 HydrophobicContact CD2-CB 4.06Å; F202-V206 HydrophobicContact CD2-CG1 4.1Å; F202-V206 HydrophobicContact CE2-CG1 4.24Å; F202-V206 PolarHBondContact O-N 2.88Å; V206-L209 PolarHBondContact O-N 3Å; V206-I210 HydrophobicContact CG1-CD1 3.92Å; V206-I210 VanDerWaalsContact O-CG1 3.32Å; V206-I210 WeakPolarHBondContact O-CG1 3.44Å; V206-I210 PolarHBondContact O-N 3.31Å; V206-I265 HydrophobicContact CG2-CD1 4.2Å |
| 207 | L | 95.1 | Very high | 92.1 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 42% | 0.419 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -50.8 | 177.6 | 178.6 | 76 | 0 | 0 | 0 | 111.9 | F202 Y205 L209 I210 I211 | F202-L207 WeakPolarHBondContact O-CB 3.19Å; F202-L207 PolarHBondContact O-N 3.27Å; Y205-L207 PolarHBondContact O-N 2.81Å; L207-L209 VanDerWaalsContact C-N 3.33Å; L207-L209 PolarHBondContact O-N 3.4Å; L207-I210 PolarHBondContact O-N 3.46Å; L207-I211 HydrophobicContact CD1-CD1 4.49Å; L207-I211 HydrophobicContact CG-CD1 4.12Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 3.19Å |
| 208 | P | 94.2 | Very high | 92 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -49.5 | -47.6 | 169.8 | -33.2 | 36.2 | 0 | 0 | 0 | 114.4 | V119 T123 I203 Y205 I210 I211 I212 | V119-P208 HydrophobicContact CG1-CB 3.31Å; V119-P208 HydrophobicContact CG1-CG 3.56Å; T123-P208 WeakPolarHBondContact OG1-CB 3.32Å; I203-P208 WeakPolarHBondContact O-CD 3.48Å; Y205-P208 WeakPolarHBondContact O-CD 3.18Å; P208-I210 PolarHBondContact O-N 2.97Å; P208-I211 PolarHBondContact O-N 3.27Å; P208-I212 VanDerWaalsContact O-CG1 3.29Å; P208-I212 WeakPolarHBondContact O-CG1 3.18Å; P208-I212 PolarHBondContact O-N 2.93Å |
| 209 | L | 93.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | -179.9 | 179.7 | 69.4 | 0 | 0 | 0 | 111.4 | Y205 V206 L207 I211 I212 L213 F253 | Y205-L209 HydrophobicContact CE1-CD2 4.19Å; Y205-L209 VanDerWaalsContact O-CB 3.3Å; Y205-L209 WeakPolarHBondContact O-CB 3.46Å; Y205-L209 PolarHBondContact O-N 3.22Å; V206-L209 PolarHBondContact O-N 3Å; L207-L209 VanDerWaalsContact C-N 3.33Å; L207-L209 PolarHBondContact O-N 3.4Å; L209-I211 VanDerWaalsContact C-N 3.32Å; L209-I211 PolarHBondContact O-N 3.42Å; L209-I212 PolarHBondContact O-N 3.17Å; L209-L213 HydrophobicContact CD1-CD1 4.36Å; L209-L213 HydrophobicContact CD1-CG 4.39Å; L209-L213 HydrophobicContact CG-CD1 4.05Å; L209-L213 HydrophobicContact CG-CG 4.45Å; L209-L213 WeakPolarHBondContact O-CB 3.43Å; L209-L213 VanDerWaalsContact O-CG 3.29Å; L209-L213 WeakPolarHBondContact O-CG 3.43Å; L209-L213 PolarHBondContact O-N 3.41Å; L209-F253 HydrophobicContact CD1-CB 4.36Å; L209-F253 HydrophobicContact CD1-CD1 3.92Å; L209-F253 HydrophobicContact CD1-CG 4.43Å |
| 210 | I | 94.2 | Very high | 91.3 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 177.3 | -69.2 | 166.2 | 0 | 0 | 0 | 110.5 | V206 L207 P208 I212 L213 I214 | V206-I210 HydrophobicContact CG1-CD1 3.92Å; V206-I210 VanDerWaalsContact O-CG1 3.32Å; V206-I210 WeakPolarHBondContact O-CG1 3.44Å; V206-I210 PolarHBondContact O-N 3.31Å; L207-I210 PolarHBondContact O-N 3.46Å; P208-I210 PolarHBondContact O-N 2.97Å; I210-I212 VanDerWaalsContact C-N 3.34Å; I210-I212 PolarHBondContact O-N 2.94Å; I210-L213 PolarHBondContact O-N 3.16Å; I210-I214 HydrophobicContact CG2-CD1 3.73Å; I210-I214 HydrophobicContact CG2-CG1 4.45Å; I210-I214 VanDerWaalsContact O-CG1 3.3Å; I210-I214 WeakPolarHBondContact O-CG1 3.31Å; I210-I214 PolarHBondContact O-N 3.45Å |
| 211 | I | 94.1 | Very high | 91 | Very high | 54 Ų | 54 | 47 Ų | 47 | 28% | 0.277 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 178.9 | -66.7 | 165.9 | 0 | 0 | 0 | 110.7 | T123 I127 L207 P208 L209 I214 C215 | T123-I211 HydrophobicContact CG2-CB 4.07Å; T123-I211 HydrophobicContact CG2-CD1 4.37Å; T123-I211 HydrophobicContact CG2-CG2 3.71Å; I127-I211 HydrophobicContact CD1-CG2 3.95Å; I127-I211 HydrophobicContact CG1-CG2 3.94Å; L207-I211 HydrophobicContact CD1-CD1 4.49Å; L207-I211 HydrophobicContact CG-CD1 4.12Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 3.19Å; P208-I211 PolarHBondContact O-N 3.27Å; L209-I211 VanDerWaalsContact C-N 3.32Å; L209-I211 PolarHBondContact O-N 3.42Å; I211-I214 PolarHBondContact O-N 2.98Å; I211-C215 WeakPolarHBondContact O-CB 3.23Å; I211-C215 PolarHBondContact O-N 3.26Å; I211-C215 PolarHBondContact O-SG 3.48Å |
| 212 | I | 91.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 179.3 | -71.2 | 174.1 | 0 | 0 | 0 | 110.8 | T123 P208 L209 I210 I214 C215 Y216 I249 F253 | T123-I212 HydrophobicContact CG2-CG1 4.33Å; P208-I212 VanDerWaalsContact O-CG1 3.29Å; P208-I212 WeakPolarHBondContact O-CG1 3.18Å; P208-I212 PolarHBondContact O-N 2.93Å; L209-I212 PolarHBondContact O-N 3.17Å; I210-I212 VanDerWaalsContact C-N 3.34Å; I210-I212 PolarHBondContact O-N 2.94Å; I212-I214 VanDerWaalsContact C-N 3.34Å; I212-I214 PolarHBondContact O-N 2.73Å; I212-C215 PolarHBondContact O-N 3.38Å; I212-Y216 HydrophobicContact CG2-CD2 3.46Å; I212-Y216 VanDerWaalsContact CG2-CD2 3.46Å; I212-Y216 HydrophobicContact CG2-CE2 3.25Å; I212-Y216 HydrophobicContact CG2-CG 4.41Å; I212-Y216 WeakPolarHBondContact O-CB 3.32Å; I212-Y216 WeakPolarHBondContact O-CD2 3.29Å; I212-Y216 VanDerWaalsContact O-CG 3.31Å; I212-Y216 PolarHBondContact O-N 2.75Å; I212-I249 HydrophobicContact CD1-CG2 4.33Å; I212-I249 HydrophobicContact CG2-CG2 4.36Å; I212-F253 HydrophobicContact CD1-CD1 4.37Å; I212-F253 HydrophobicContact CD1-CD2 3.95Å; I212-F253 HydrophobicContact CD1-CE1 3.74Å; I212-F253 HydrophobicContact CD1-CE2 3.25Å; I212-F253 HydrophobicContact CD1-CG 4.46Å; I212-F253 HydrophobicContact CD1-CZ 3.12Å |
| 213 | L | 90.8 | Very high | 89.8 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 45% | 0.45 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 179 | -70.6 | 174.4 | 0 | 0 | 0 | 111.9 | L209 I210 S217 | L209-L213 HydrophobicContact CD1-CD1 4.36Å; L209-L213 HydrophobicContact CD1-CG 4.39Å; L209-L213 HydrophobicContact CG-CD1 4.05Å; L209-L213 HydrophobicContact CG-CG 4.45Å; L209-L213 WeakPolarHBondContact O-CB 3.43Å; L209-L213 VanDerWaalsContact O-CG 3.29Å; L209-L213 WeakPolarHBondContact O-CG 3.43Å; L209-L213 PolarHBondContact O-N 3.41Å; I210-L213 PolarHBondContact O-N 3.16Å; L213-S217 VanDerWaalsContact O-CB 3.29Å; L213-S217 WeakPolarHBondContact O-CB 3.39Å; L213-S217 PolarHBondContact O-N 3.38Å; L213-S217 PolarHBondContact O-OG 3.15Å |
| 214 | I | 91.7 | Very high | 89.2 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -49 | 175.8 | -68.2 | 168.6 | 0 | 0 | 0 | 110.5 | I210 I211 I212 Y216 S217 Q218 | I210-I214 HydrophobicContact CG2-CD1 3.73Å; I210-I214 HydrophobicContact CG2-CG1 4.45Å; I210-I214 VanDerWaalsContact O-CG1 3.3Å; I210-I214 WeakPolarHBondContact O-CG1 3.31Å; I210-I214 PolarHBondContact O-N 3.45Å; I211-I214 PolarHBondContact O-N 2.98Å; I212-I214 VanDerWaalsContact C-N 3.34Å; I212-I214 PolarHBondContact O-N 2.73Å; I214-Y216 VanDerWaalsContact C-N 3.29Å; I214-Y216 PolarHBondContact O-N 2.8Å; I214-S217 PolarHBondContact O-N 2.84Å; I214-Q218 VanDerWaalsContact O-CG 3.28Å; I214-Q218 WeakPolarHBondContact O-CG 3.27Å; I214-Q218 PolarHBondContact O-N 3Å; I214-Q218 VanDerWaalsContact O-N 3.08Å |
| 215 | C | 89.9 | Confident | 88.8 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55 | -46.6 | 178.9 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | F130 I211 I212 Q218 I219 | F130-C215 HydrophobicContact CB-CB 3.93Å; F130-C215 HydrophobicContact CG-CB 4.32Å; I211-C215 WeakPolarHBondContact O-CB 3.23Å; I211-C215 PolarHBondContact O-N 3.26Å; I211-C215 PolarHBondContact O-SG 3.48Å; I212-C215 PolarHBondContact O-N 3.38Å; C215-Q218 PolarHBondContact O-N 3.47Å; C215-I219 WeakPolarHBondContact O-CD1 3.34Å; C215-I219 VanDerWaalsContact O-CG1 3.24Å; C215-I219 WeakPolarHBondContact O-CG1 3.39Å; C215-I219 PolarHBondContact O-N 3.18Å |
| 216 | Y | 86.4 | Confident | 88 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75.8 | -36.8 | -176.2 | -65.2 | -20 | 0 | 0 | 0 | 113.5 | S126 I212 I214 Q218 I219 C220 I246 I249 I250 | S126-Y216 VanDerWaalsContact OG-CZ 3.28Å; S126-Y216 PolarHBondContact OG-OH 3.42Å; I212-Y216 HydrophobicContact CG2-CD2 3.46Å; I212-Y216 VanDerWaalsContact CG2-CD2 3.46Å; I212-Y216 HydrophobicContact CG2-CE2 3.25Å; I212-Y216 HydrophobicContact CG2-CG 4.41Å; I212-Y216 WeakPolarHBondContact O-CB 3.32Å; I212-Y216 WeakPolarHBondContact O-CD2 3.29Å; I212-Y216 VanDerWaalsContact O-CG 3.31Å; I212-Y216 PolarHBondContact O-N 2.75Å; I214-Y216 VanDerWaalsContact C-N 3.29Å; I214-Y216 PolarHBondContact O-N 2.8Å; Y216-Q218 VanDerWaalsContact C-N 3.28Å; Y216-Q218 PolarHBondContact O-N 3.05Å; Y216-I219 HydrophobicContact CD1-CD1 3.83Å; Y216-I219 HydrophobicContact CE1-CD1 4.3Å; Y216-I219 PolarHBondContact O-N 2.97Å; Y216-C220 WeakPolarHBondContact O-CB 3.49Å; Y216-C220 PolarHBondContact O-N 3.31Å; Y216-C220 PolarHBondContact O-SG 2.89Å; Y216-I246 HydrophobicContact CD1-CB 4.31Å; Y216-I246 HydrophobicContact CD1-CD1 4.07Å; Y216-I246 HydrophobicContact CD1-CG1 3.69Å; Y216-I246 HydrophobicContact CD1-CG2 3.86Å; Y216-I246 HydrophobicContact CD2-CG2 3.61Å; Y216-I246 HydrophobicContact CE1-CB 4.17Å; Y216-I246 HydrophobicContact CE1-CD1 4.29Å; Y216-I246 HydrophobicContact CE1-CG1 3.5Å; Y216-I246 VanDerWaalsContact CE1-CG1 3.5Å; Y216-I246 HydrophobicContact CE1-CG2 4.13Å; Y216-I246 HydrophobicContact CE2-CB 4.34Å; Y216-I246 HydrophobicContact CE2-CG2 3.82Å; Y216-I246 HydrophobicContact CG-CB 4.49Å; Y216-I246 HydrophobicContact CG-CG1 4.33Å; Y216-I246 HydrophobicContact CG-CG2 3.58Å; Y216-I249 HydrophobicContact CE2-CB 4.26Å; Y216-I249 HydrophobicContact CE2-CG2 4.05Å; Y216-I249 WeakPolarHBondContact OH-CB 3.49Å; Y216-I249 WeakPolarHBondContact OH-CD1 3.37Å; Y216-I249 WeakPolarHBondContact OH-CG2 3.46Å; Y216-I250 HydrophobicContact CD2-CD1 3.76Å; Y216-I250 HydrophobicContact CD2-CG1 3.67Å; Y216-I250 HydrophobicContact CE2-CD1 4.31Å; Y216-I250 HydrophobicContact CE2-CG1 3.8Å |
| 217 | S | 87.1 | Confident | 87 | Confident | 72 Ų | 72 | 61 Ų | 61 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 171.8 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | L213 I214 C220 C221 | L213-S217 VanDerWaalsContact O-CB 3.29Å; L213-S217 WeakPolarHBondContact O-CB 3.39Å; L213-S217 PolarHBondContact O-N 3.38Å; L213-S217 PolarHBondContact O-OG 3.15Å; I214-S217 PolarHBondContact O-N 2.84Å; S217-C220 PolarHBondContact O-N 3.4Å; S217-C221 WeakPolarHBondContact O-CB 3.29Å; S217-C221 PolarHBondContact O-N 2.99Å; S217-C221 PolarHBondContact O-SG 2.84Å |
| 218 | Q | 88.8 | Confident | 86 | Confident | 100 Ų | 100 | 66.4 Ų | 66.4 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68 | -40 | 178.2 | -65.4 | -70.1 | -6.8 | 0 | 0 | 112.9 | F130 I214 C215 Y216 C221 K222 | F130-Q218 HydrophobicContact CD2-CB 4Å; F130-Q218 HydrophobicContact CE2-CB 3.55Å; F130-Q218 HydrophobicContact CE2-CG 4.11Å; I214-Q218 VanDerWaalsContact O-CG 3.28Å; I214-Q218 WeakPolarHBondContact O-CG 3.27Å; I214-Q218 PolarHBondContact O-N 3Å; I214-Q218 VanDerWaalsContact O-N 3.08Å; C215-Q218 PolarHBondContact O-N 3.47Å; Y216-Q218 VanDerWaalsContact C-N 3.28Å; Y216-Q218 PolarHBondContact O-N 3.05Å; Q218-C221 PolarHBondContact O-N 2.75Å; Q218-K222 WeakPolarHBondContact O-CB 3.38Å; Q218-K222 PolarHBondContact O-N 2.76Å |
| 219 | I | 84.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -50 | 174.8 | -71.7 | 161.2 | 0 | 0 | 0 | 110.5 | R129 F130 V133 V134 C215 Y216 C221 K222 L223 I246 | R129-I219 HydrophobicContact CB-CD1 4.48Å; F130-I219 HydrophobicContact CB-CD1 3.94Å; F130-I219 HydrophobicContact CB-CG1 4.27Å; F130-I219 HydrophobicContact CD2-CG1 4.23Å; V133-I219 HydrophobicContact CB-CG1 4.5Å; V133-I219 HydrophobicContact CG1-CG2 4.21Å; V134-I219 HydrophobicContact CG2-CG1 4.16Å; C215-I219 WeakPolarHBondContact O-CD1 3.34Å; C215-I219 VanDerWaalsContact O-CG1 3.24Å; C215-I219 WeakPolarHBondContact O-CG1 3.39Å; C215-I219 PolarHBondContact O-N 3.18Å; Y216-I219 HydrophobicContact CD1-CD1 3.83Å; Y216-I219 HydrophobicContact CE1-CD1 4.3Å; Y216-I219 PolarHBondContact O-N 2.97Å; I219-C221 PolarHBondContact O-N 2.91Å; I219-K222 PolarHBondContact O-N 3.43Å; I219-L223 HydrophobicContact CG2-CD1 3.68Å; I219-L223 HydrophobicContact CG2-CG 4.19Å; I219-L223 WeakPolarHBondContact O-CB 3.37Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.12Å; I219-L223 PolarHBondContact O-N 3.09Å; I219-I246 HydrophobicContact CB-CD1 4.32Å; I219-I246 HydrophobicContact CD1-CD1 4.08Å; I219-I246 HydrophobicContact CG2-CD1 3.65Å |
| 220 | C | 83.1 | Confident | 83.9 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 28% | 0.284 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.6 | -50.6 | 177.9 | -71.9 | 0 | 0 | 0 | 0 | 110.6 | Y216 S217 K222 L223 F224 | Y216-C220 WeakPolarHBondContact O-CB 3.49Å; Y216-C220 PolarHBondContact O-N 3.31Å; Y216-C220 PolarHBondContact O-SG 2.89Å; S217-C220 PolarHBondContact O-N 3.4Å; C220-K222 VanDerWaalsContact C-N 3.31Å; C220-K222 PolarHBondContact O-N 3.19Å; C220-L223 PolarHBondContact O-N 3.44Å; C220-L223 VanDerWaalsContact O-N 3.17Å; C220-F224 HydrophobicContact CB-CD2 4.35Å; C220-F224 HydrophobicContact CB-CE2 4.27Å; C220-F224 WeakPolarHBondContact O-CD2 3.44Å; C220-F224 PolarHBondContact O-N 3.27Å |
| 221 | C | 85.7 | Confident | 82.4 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 43% | 0.432 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.5 | -44.5 | 176.2 | -76.4 | 0 | 0 | 0 | 0 | 112.7 | S217 Q218 I219 R225 | S217-C221 WeakPolarHBondContact O-CB 3.29Å; S217-C221 PolarHBondContact O-N 2.99Å; S217-C221 PolarHBondContact O-SG 2.84Å; Q218-C221 PolarHBondContact O-N 2.75Å; I219-C221 PolarHBondContact O-N 2.91Å; C221-R225 WeakPolarHBondContact O-CB 3.32Å; C221-R225 VanDerWaalsContact O-CG 3.29Å; C221-R225 WeakPolarHBondContact O-CG 3.2Å; C221-R225 PolarHBondContact O-N 3.43Å |
| 222 | K | 83.3 | Confident | 80.7 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 178.2 | -175.4 | 64.7 | 177.2 | -177.4 | 0 | 111.6 | V134 Q218 I219 C220 R225 T226 | V134-K222 HydrophobicContact CG2-CB 4.24Å; Q218-K222 WeakPolarHBondContact O-CB 3.38Å; Q218-K222 PolarHBondContact O-N 2.76Å; I219-K222 PolarHBondContact O-N 3.43Å; C220-K222 VanDerWaalsContact C-N 3.31Å; C220-K222 PolarHBondContact O-N 3.19Å; K222-R225 PolarHBondContact O-N 3.32Å; K222-T226 PolarHBondContact O-N 2.99Å; K222-T226 PolarHBondContact O-OG1 3.07Å |
| 223 | L | 80.1 | Confident | 79 | Confident | 31 Ų | 31 | 84.3 Ų | 84.3 | 16% | 0.162 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.8 | -70.9 | 173.8 | 0 | 0 | 0 | 111.6 | V133 I219 C220 T226 A227 N239 | V133-L223 HydrophobicContact CG1-CD2 4.23Å; V133-L223 HydrophobicContact CG1-CG 4.43Å; I219-L223 HydrophobicContact CG2-CD1 3.68Å; I219-L223 HydrophobicContact CG2-CG 4.19Å; I219-L223 WeakPolarHBondContact O-CB 3.37Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.12Å; I219-L223 PolarHBondContact O-N 3.09Å; C220-L223 PolarHBondContact O-N 3.44Å; C220-L223 VanDerWaalsContact O-N 3.17Å; L223-T226 PolarHBondContact O-N 2.8Å; L223-A227 WeakPolarHBondContact O-CB 3.32Å; L223-A227 PolarHBondContact O-N 3.47Å; L223-N239 HydrophobicContact CD2-CB 4.08Å |
| 224 | F | 80 | Confident | 77.1 | Confident | 155 Ų | 155 | 86.5 Ų | 86.5 | 68% | 0.68 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 175.8 | -79.2 | -65.8 | 0 | 0 | 0 | 112.3 | C220 A227 K228 | C220-F224 HydrophobicContact CB-CD2 4.35Å; C220-F224 HydrophobicContact CB-CE2 4.27Å; C220-F224 WeakPolarHBondContact O-CD2 3.44Å; C220-F224 PolarHBondContact O-N 3.27Å; F224-A227 PolarHBondContact O-N 2.99Å; F224-K228 WeakPolarHBondContact O-CB 3.5Å; F224-K228 PolarHBondContact O-N 3.35Å |
| 225 | R | 81.7 | Confident | 75 | Confident | 178 Ų | 178 | 91.5 Ų | 91.5 | 67% | 0.672 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 176.1 | -74.5 | 177.8 | -177 | -173.2 | 2.1 | 111.9 | C221 K222 K228 Q229 | C221-R225 WeakPolarHBondContact O-CB 3.32Å; C221-R225 VanDerWaalsContact O-CG 3.29Å; C221-R225 WeakPolarHBondContact O-CG 3.2Å; C221-R225 PolarHBondContact O-N 3.43Å; K222-R225 PolarHBondContact O-N 3.32Å; R225-K228 PolarHBondContact O-N 3.32Å; R225-Q229 WeakPolarHBondContact O-CG 3.47Å; R225-Q229 PolarHBondContact O-N 2.89Å; R225-Q229 VanDerWaalsContact O-N 3.09Å |
| 226 | T | 76.6 | Confident | 73.3 | Confident | 41 Ų | 41 | 93.2 Ų | 93.2 | 25% | 0.252 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 178.8 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | K222 L223 K228 Q229 N230 | K222-T226 PolarHBondContact O-N 2.99Å; K222-T226 PolarHBondContact O-OG1 3.07Å; L223-T226 PolarHBondContact O-N 2.8Å; T226-K228 VanDerWaalsContact C-N 3.34Å; T226-Q229 PolarHBondContact O-N 3.23Å; T226-N230 PolarHBondContact O-N 2.99Å |
| 227 | A | 73.8 | Confident | 72 | Confident | 46 Ų | 46 | 95.3 Ų | 95.3 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L223 F224 Q229 N230 | L223-A227 WeakPolarHBondContact O-CB 3.32Å; L223-A227 PolarHBondContact O-N 3.47Å; F224-A227 PolarHBondContact O-N 2.99Å; A227-Q229 VanDerWaalsContact C-N 3.33Å; A227-Q229 PolarHBondContact O-N 3.48Å; A227-N230 CarbonylContact O-C 3.49Å |
| 228 | K | 74.8 | Confident | 70.7 | Confident | 193 Ų | 193 | 96.7 Ų | 96.7 | 84% | 0.839 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -33.9 | 175.7 | -170.4 | 175.6 | -178.6 | 178.6 | 0 | 112.9 | F224 R225 T226 | F224-K228 WeakPolarHBondContact O-CB 3.5Å; F224-K228 PolarHBondContact O-N 3.35Å; R225-K228 PolarHBondContact O-N 3.32Å; T226-K228 VanDerWaalsContact C-N 3.34Å |
| 229 | Q | 75.6 | Confident | 69.6 | Low | 143 Ų | 143 | 94.1 Ų | 94.1 | 67% | 0.668 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -83.9 | -30.3 | -178.5 | -73.4 | 176.8 | -20.6 | 0 | 0 | 113.5 | R225 T226 A227 | R225-Q229 WeakPolarHBondContact O-CG 3.47Å; R225-Q229 PolarHBondContact O-N 2.89Å; R225-Q229 VanDerWaalsContact O-N 3.09Å; T226-Q229 PolarHBondContact O-N 3.23Å; A227-Q229 VanDerWaalsContact C-N 3.33Å; A227-Q229 PolarHBondContact O-N 3.48Å |
| 230 | N | 68.4 | Low | 68.9 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | trans | -147.5 | 93 | -178.5 | -79.1 | -58.8 | 0 | 0 | 0 | 110.9 | T226 A227 L232 T233 | T226-N230 PolarHBondContact O-N 2.99Å; A227-N230 CarbonylContact O-C 3.49Å; N230-L232 PolarHBondContact O-N 2.94Å; N230-L232 VanDerWaalsContact O-N 3.14Å; N230-T233 WeakPolarHBondContact CB-OG1 3.39Å; N230-T233 PolarHBondContact O-N 2.72Å; N230-T233 VanDerWaalsContact O-N 3.11Å; N230-T233 PolarHBondContact O-OG1 2.86Å | ||
| 231 | P | 62.1 | Low | 68.3 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -61.5 | -23.1 | -179.7 | 4.6 | -6.9 | 0 | 0 | 0 | 113.5 | T233 | P231-T233 VanDerWaalsContact C-N 3.31Å; P231-T233 PolarHBondContact O-N 3.46Å |
| 232 | L | 58.4 | Low | 67.5 | Low | 160 Ų | 160 | 98.8 Ų | 98.8 | 84% | 0.838 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -73.3 | -18 | 178.3 | -65.6 | 172.2 | 0 | 0 | 0 | 114 | N230 E234 | N230-L232 PolarHBondContact O-N 2.94Å; N230-L232 VanDerWaalsContact O-N 3.14Å; L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 3.23Å |
| 233 | T | 55.6 | Low | 67.1 | Low | 61 Ų | 61 | 98 Ų | 98 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -76.5 | -11.7 | 179.2 | -3.9 | 0 | 0 | 0 | 0 | 113.6 | N230 P231 K235 S236 | N230-T233 WeakPolarHBondContact CB-OG1 3.39Å; N230-T233 PolarHBondContact O-N 2.72Å; N230-T233 VanDerWaalsContact O-N 3.11Å; N230-T233 PolarHBondContact O-OG1 2.86Å; P231-T233 VanDerWaalsContact C-N 3.31Å; P231-T233 PolarHBondContact O-N 3.46Å; T233-K235 PolarHBondContact O-N 3.31Å; T233-S236 WeakPolarHBondContact O-CB 3.39Å; T233-S236 PolarHBondContact O-N 3.34Å |
| 234 | E | 51.5 | Low | 67 | Low | 131 Ų | 131 | 99.4 Ų | 99.4 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -64.9 | -18.9 | 176.6 | -151.3 | -171.1 | 155.6 | 0 | 0 | 112.6 | L232 S236 | L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 3.23Å; E234-S236 PolarHBondContact O-N 3.13Å |
| 235 | K | 47.8 | Very low | 66.9 | Low | 202 Ų | 202 | 92.2 Ų | 92.2 | 88% | 0.878 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -72 | -11 | 177.2 | -122.5 | 176.2 | -177.1 | 177.4 | 0 | 114.1 | T233 G237 | T233-K235 PolarHBondContact O-N 3.31Å; K235-G237 PolarHBondContact O-N 3.44Å; K235-G237 VanDerWaalsContact O-N 3.15Å |
| 236 | S | 53.8 | Low | 66.8 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 33% | 0.329 | 45% | 0.447 | S | S | . | . | trans | -73 | 100.8 | 173.2 | 162.7 | 0 | 0 | 0 | 0 | 110.2 | T233 E234 V238 N239 | T233-S236 WeakPolarHBondContact O-CB 3.39Å; T233-S236 PolarHBondContact O-N 3.34Å; E234-S236 PolarHBondContact O-N 3.13Å; S236-V238 PolarHBondContact O-N 3.14Å; S236-N239 PolarHBondContact O-N 2.82Å | ||
| 237 | G | 58.5 | Low | 67.1 | Low | 51 Ų | 51 | 86.1 Ų | 86.1 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.3 | -7.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K235 K241 | K235-G237 PolarHBondContact O-N 3.44Å; K235-G237 VanDerWaalsContact O-N 3.15Å; G237-K241 WeakPolarHBondContact O-CB 3.26Å; G237-K241 PolarHBondContact O-N 3.25Å |
| 238 | V | 60.2 | Low | 67.6 | Low | 101 Ų | 101 | 85.4 Ų | 85.4 | 61% | 0.612 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.3 | -38.7 | 172.6 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | S236 K241 A242 | S236-V238 PolarHBondContact O-N 3.14Å; V238-K241 PolarHBondContact O-N 3.49Å; V238-A242 WeakPolarHBondContact O-CB 3.05Å; V238-A242 PolarHBondContact O-N 3.48Å |
| 239 | N | 66.7 | Low | 68.2 | Low | 46 Ų | 46 | 76.2 Ų | 76.2 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 179.7 | -66.9 | -15.8 | 0 | 0 | 0 | 111.2 | L223 S236 A242 L243 | L223-N239 HydrophobicContact CD2-CB 4.08Å; S236-N239 PolarHBondContact O-N 2.82Å; N239-A242 PolarHBondContact O-N 2.87Å; N239-L243 WeakPolarHBondContact O-CB 3.32Å; N239-L243 PolarHBondContact O-N 2.8Å |
| 240 | K | 69.9 | Low | 68.8 | Low | 130 Ų | 130 | 72.4 Ų | 72.4 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 174.6 | -67.8 | -174.3 | 177.3 | -177 | 0 | 112.2 | L243 N244 | K240-L243 PolarHBondContact O-N 3.37Å; K240-N244 PolarHBondContact O-N 2.84Å; K240-N244 PolarHBondContact O-OD1 2.97Å |
| 241 | K | 69.7 | Low | 69.7 | Low | 67 Ų | 67 | 70.1 Ų | 70.1 | 29% | 0.291 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 176.3 | -175.6 | 174.3 | -179.5 | 178 | 0 | 111.7 | G237 V238 T245 F310 A311 C312 | G237-K241 WeakPolarHBondContact O-CB 3.26Å; G237-K241 PolarHBondContact O-N 3.25Å; V238-K241 PolarHBondContact O-N 3.49Å; K241-T245 PolarHBondContact O-N 3.4Å; K241-T245 VanDerWaalsContact O-N 3.17Å; K241-T245 PolarHBondContact O-OG1 2.82Å; K241-F310 WeakPolarHBondContact CD-O 3.43Å; K241-F310 WeakPolarHBondContact CE-O 3.33Å; K241-F310 WeakPolarHBondContact CG-O 3.3Å; K241-A311 PolarHBondContact NZ-O 3.18Å; K241-C312 PolarHBondContact NZ-O 2.94Å; K241-C312 VanDerWaalsContact NZ-O 3.14Å |
| 242 | A | 69.4 | Low | 71 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -50 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V238 N239 N244 T245 I246 | V238-A242 WeakPolarHBondContact O-CB 3.05Å; V238-A242 PolarHBondContact O-N 3.48Å; N239-A242 PolarHBondContact O-N 2.87Å; A242-N244 PolarHBondContact O-N 3.43Å; A242-T245 WeakPolarHBondContact O-CB 3.47Å; A242-T245 PolarHBondContact O-N 3.1Å; A242-T245 VanDerWaalsContact O-N 3.11Å; A242-I246 WeakPolarHBondContact O-CG1 3.47Å; A242-I246 PolarHBondContact O-N 2.73Å |
| 243 | L | 74.5 | Confident | 72.5 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | -179.7 | -169.9 | 130.4 | 0 | 0 | 0 | 112.9 | N239 K240 T245 I246 I247 | N239-L243 WeakPolarHBondContact O-CB 3.32Å; N239-L243 PolarHBondContact O-N 2.8Å; K240-L243 PolarHBondContact O-N 3.37Å; L243-T245 PolarHBondContact O-N 2.92Å; L243-I246 WeakPolarHBondContact O-CB 3.41Å; L243-I246 PolarHBondContact O-N 3.34Å; L243-I247 HydrophobicContact CD2-CD1 3.57Å; L243-I247 HydrophobicContact CG-CD1 4.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 3.26Å |
| 244 | N | 78.1 | Confident | 74.2 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 175.2 | -71.8 | 10.7 | 0 | 0 | 0 | 112.6 | K240 A242 I246 L248 F310 | K240-N244 PolarHBondContact O-N 2.84Å; K240-N244 PolarHBondContact O-OD1 2.97Å; A242-N244 PolarHBondContact O-N 3.43Å; N244-I246 VanDerWaalsContact C-N 3.31Å; N244-L248 WeakPolarHBondContact O-CG 3.3Å; N244-L248 PolarHBondContact O-N 3.41Å; N244-F310 HydrophobicContact CB-CB 4.38Å; N244-F310 HydrophobicContact CB-CD1 3.72Å; N244-F310 HydrophobicContact CB-CD2 4.31Å; N244-F310 HydrophobicContact CB-CE1 4.01Å; N244-F310 HydrophobicContact CB-CG 3.88Å; N244-F310 HydrophobicContact CB-CZ 4.41Å; N244-F310 VanDerWaalsContact ND2-CE1 3.25Å; N244-F310 WeakPolarHBondContact ND2-CE1 3.45Å |
| 245 | T | 78.1 | Confident | 76.1 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.8 | -51.6 | 0 | 0 | 0 | 0 | 110.5 | K241 A242 L243 L248 I249 I307 F310 A311 | K241-T245 PolarHBondContact O-N 3.4Å; K241-T245 VanDerWaalsContact O-N 3.17Å; K241-T245 PolarHBondContact O-OG1 2.82Å; A242-T245 WeakPolarHBondContact O-CB 3.47Å; A242-T245 PolarHBondContact O-N 3.1Å; A242-T245 VanDerWaalsContact O-N 3.11Å; L243-T245 PolarHBondContact O-N 2.92Å; T245-L248 PolarHBondContact O-N 2.88Å; T245-I249 HydrophobicContact CG2-CD1 3.98Å; T245-I249 WeakPolarHBondContact O-CG1 3.47Å; T245-I249 PolarHBondContact O-N 3.25Å; T245-I307 HydrophobicContact CG2-CG2 4.23Å; T245-F310 WeakPolarHBondContact OG1-CB 3.19Å; T245-F310 PolarHBondContact OG1-O 3.17Å; T245-F310 VanDerWaalsContact OG1-O 3.12Å; T245-A311 HydrophobicContact CG2-CB 4.43Å |
| 246 | I | 79.5 | Confident | 78.3 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -52.8 | 176.9 | -68.5 | 167.7 | 0 | 0 | 0 | 110.8 | Y216 I219 A242 L243 N244 L248 I249 I250 | Y216-I246 HydrophobicContact CD1-CB 4.31Å; Y216-I246 HydrophobicContact CD1-CD1 4.07Å; Y216-I246 HydrophobicContact CD1-CG1 3.69Å; Y216-I246 HydrophobicContact CD1-CG2 3.86Å; Y216-I246 HydrophobicContact CD2-CG2 3.61Å; Y216-I246 HydrophobicContact CE1-CB 4.17Å; Y216-I246 HydrophobicContact CE1-CD1 4.29Å; Y216-I246 HydrophobicContact CE1-CG1 3.5Å; Y216-I246 VanDerWaalsContact CE1-CG1 3.5Å; Y216-I246 HydrophobicContact CE1-CG2 4.13Å; Y216-I246 HydrophobicContact CE2-CB 4.34Å; Y216-I246 HydrophobicContact CE2-CG2 3.82Å; Y216-I246 HydrophobicContact CG-CB 4.49Å; Y216-I246 HydrophobicContact CG-CG1 4.33Å; Y216-I246 HydrophobicContact CG-CG2 3.58Å; I219-I246 HydrophobicContact CB-CD1 4.32Å; I219-I246 HydrophobicContact CD1-CD1 4.08Å; I219-I246 HydrophobicContact CG2-CD1 3.65Å; A242-I246 WeakPolarHBondContact O-CG1 3.47Å; A242-I246 PolarHBondContact O-N 2.73Å; L243-I246 WeakPolarHBondContact O-CB 3.41Å; L243-I246 PolarHBondContact O-N 3.34Å; N244-I246 VanDerWaalsContact C-N 3.31Å; I246-L248 VanDerWaalsContact C-N 3.29Å; I246-L248 PolarHBondContact O-N 3.37Å; I246-I249 PolarHBondContact O-N 3.06Å; I246-I250 HydrophobicContact CG2-CD1 3.91Å; I246-I250 WeakPolarHBondContact O-CG1 3.38Å; I246-I250 PolarHBondContact O-N 2.88Å |
| 247 | I | 82.5 | Confident | 80.2 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 43% | 0.431 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 179.8 | -70.4 | 169.4 | 0 | 0 | 0 | 110.3 | L243 I250 V251 | L243-I247 HydrophobicContact CD2-CD1 3.57Å; L243-I247 HydrophobicContact CG-CD1 4.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 3.26Å; I247-I250 PolarHBondContact O-N 2.9Å; I247-V251 HydrophobicContact CG2-CG2 4.24Å; I247-V251 WeakPolarHBondContact O-CB 3.13Å; I247-V251 WeakPolarHBondContact O-CG2 3.33Å; I247-V251 PolarHBondContact O-N 3.33Å |
| 248 | L | 85.3 | Confident | 81.9 | Confident | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.8 | -77 | 169.3 | 0 | 0 | 0 | 112.6 | N244 T245 I246 I250 V251 V252 F306 I307 F310 | N244-L248 WeakPolarHBondContact O-CG 3.3Å; N244-L248 PolarHBondContact O-N 3.41Å; T245-L248 PolarHBondContact O-N 2.88Å; I246-L248 VanDerWaalsContact C-N 3.29Å; I246-L248 PolarHBondContact O-N 3.37Å; L248-I250 VanDerWaalsContact C-N 3.34Å; L248-I250 PolarHBondContact O-N 3.43Å; L248-V251 PolarHBondContact O-N 3.47Å; L248-V252 WeakPolarHBondContact O-CG2 3.3Å; L248-V252 PolarHBondContact O-N 2.95Å; L248-F306 HydrophobicContact CD1-CB 3.98Å; L248-F306 HydrophobicContact CD2-CB 4.25Å; L248-I307 HydrophobicContact CB-CG1 4.19Å; L248-F310 HydrophobicContact CD1-CD2 3.32Å; L248-F310 HydrophobicContact CD1-CE2 3.66Å; L248-F310 HydrophobicContact CD1-CG 4.42Å |
| 249 | I | 86.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 177.3 | -70.9 | 168.3 | 0 | 0 | 0 | 110.1 | M122 L125 I212 Y216 T245 I246 V251 V252 F253 I307 | M122-I249 HydrophobicContact CB-CG2 4.4Å; L125-I249 HydrophobicContact CB-CD1 4.47Å; I212-I249 HydrophobicContact CD1-CG2 4.33Å; I212-I249 HydrophobicContact CG2-CG2 4.36Å; Y216-I249 HydrophobicContact CE2-CB 4.26Å; Y216-I249 HydrophobicContact CE2-CG2 4.05Å; Y216-I249 WeakPolarHBondContact OH-CB 3.49Å; Y216-I249 WeakPolarHBondContact OH-CD1 3.37Å; Y216-I249 WeakPolarHBondContact OH-CG2 3.46Å; T245-I249 HydrophobicContact CG2-CD1 3.98Å; T245-I249 WeakPolarHBondContact O-CG1 3.47Å; T245-I249 PolarHBondContact O-N 3.25Å; I246-I249 PolarHBondContact O-N 3.06Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 2.93Å; I249-V252 PolarHBondContact O-N 2.69Å; I249-F253 HydrophobicContact CG2-CD2 3.93Å; I249-F253 HydrophobicContact CG2-CE2 4.01Å; I249-F253 WeakPolarHBondContact O-CD2 3.39Å; I249-F253 PolarHBondContact O-N 3.47Å; I249-I307 HydrophobicContact CD1-CG2 4.47Å; I249-I307 HydrophobicContact CG1-CD1 4.06Å; I249-I307 HydrophobicContact CG1-CG2 4.36Å |
| 250 | I | 87.2 | Confident | 85 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 32% | 0.318 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 176.2 | -64.8 | 173.9 | 0 | 0 | 0 | 111 | Y216 I246 I247 L248 V252 F253 V254 | Y216-I250 HydrophobicContact CD2-CD1 3.76Å; Y216-I250 HydrophobicContact CD2-CG1 3.67Å; Y216-I250 HydrophobicContact CE2-CD1 4.31Å; Y216-I250 HydrophobicContact CE2-CG1 3.8Å; I246-I250 HydrophobicContact CG2-CD1 3.91Å; I246-I250 WeakPolarHBondContact O-CG1 3.38Å; I246-I250 PolarHBondContact O-N 2.88Å; I247-I250 PolarHBondContact O-N 2.9Å; L248-I250 VanDerWaalsContact C-N 3.34Å; L248-I250 PolarHBondContact O-N 3.43Å; I250-V252 VanDerWaalsContact C-N 3.32Å; I250-V252 PolarHBondContact O-N 2.72Å; I250-F253 PolarHBondContact O-N 3.37Å; I250-V254 HydrophobicContact CG2-CG2 4.08Å; I250-V254 WeakPolarHBondContact O-CB 3.29Å; I250-V254 VanDerWaalsContact O-CG2 3.3Å; I250-V254 WeakPolarHBondContact O-CG2 3.3Å; I250-V254 PolarHBondContact O-N 3.19Å |
| 251 | V | 89 | Confident | 86.2 | Confident | 48 Ų | 48 | 34 Ų | 34 | 29% | 0.291 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 178.4 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | I247 L248 I249 V254 L255 M303 | I247-V251 HydrophobicContact CG2-CG2 4.24Å; I247-V251 WeakPolarHBondContact O-CB 3.13Å; I247-V251 WeakPolarHBondContact O-CG2 3.33Å; I247-V251 PolarHBondContact O-N 3.33Å; L248-V251 PolarHBondContact O-N 3.47Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 2.93Å; V251-V254 PolarHBondContact O-N 2.79Å; V251-L255 HydrophobicContact CG1-CD1 3.66Å; V251-L255 HydrophobicContact CG1-CG 4.21Å; V251-L255 VanDerWaalsContact O-CB 3.29Å; V251-L255 WeakPolarHBondContact O-CB 3.28Å; V251-L255 WeakPolarHBondContact O-CG 3.34Å; V251-L255 PolarHBondContact O-N 3Å; V251-M303 HydrophobicContact CG1-CE 4.11Å |
| 252 | V | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | M122 L248 I249 I250 C256 F257 N300 M303 I307 | M122-V252 HydrophobicContact CE-CG1 3.96Å; M122-V252 HydrophobicContact SD-CG1 4.07Å; L248-V252 WeakPolarHBondContact O-CG2 3.3Å; L248-V252 PolarHBondContact O-N 2.95Å; I249-V252 PolarHBondContact O-N 2.69Å; I250-V252 VanDerWaalsContact C-N 3.32Å; I250-V252 PolarHBondContact O-N 2.72Å; V252-C256 HydrophobicContact CG1-CB 4.21Å; V252-C256 WeakPolarHBondContact O-CA 3.37Å; V252-C256 WeakPolarHBondContact O-CB 3.45Å; V252-C256 PolarHBondContact O-N 3.46Å; V252-F257 HydrophobicContact CG1-CD2 4.06Å; V252-F257 HydrophobicContact CG1-CE2 3.7Å; V252-F257 PolarHBondContact O-N 2.8Å; V252-N300 HydrophobicContact CG1-CB 4.02Å; V252-M303 HydrophobicContact CG2-CB 3.44Å; V252-M303 VanDerWaalsContact CG2-CB 3.44Å; V252-M303 HydrophobicContact CG2-CE 4.34Å; V252-M303 HydrophobicContact CG2-CG 4.05Å; V252-I307 HydrophobicContact CG2-CD1 4.34Å |
| 253 | F | 89.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -59.4 | -50.9 | 174.3 | -90.1 | -100 | 0 | 0 | 0 | 111.6 | V119 M122 Y205 L209 I212 I249 I250 F257 T258 | V119-F253 HydrophobicContact CB-CZ 4.3Å; V119-F253 HydrophobicContact CG1-CE1 3.9Å; V119-F253 HydrophobicContact CG1-CZ 3.84Å; V119-F253 HydrophobicContact CG2-CE1 4.37Å; V119-F253 HydrophobicContact CG2-CZ 4.34Å; M122-F253 HydrophobicContact CB-CE2 3.83Å; M122-F253 HydrophobicContact CB-CZ 4.42Å; M122-F253 HydrophobicContact SD-CD2 4.36Å; M122-F253 HydrophobicContact SD-CE2 3.88Å; Y205-F253 HydrophobicContact CD2-CD1 4.44Å; Y205-F253 HydrophobicContact CD2-CE1 4.48Å; Y205-F253 AromaticContact CE2-CD1 3.96Å; Y205-F253 HydrophobicContact CE2-CD1 3.96Å; Y205-F253 HydrophobicContact CE2-CE1 4.44Å; L209-F253 HydrophobicContact CD1-CB 4.36Å; L209-F253 HydrophobicContact CD1-CD1 3.92Å; L209-F253 HydrophobicContact CD1-CG 4.43Å; I212-F253 HydrophobicContact CD1-CD1 4.37Å; I212-F253 HydrophobicContact CD1-CD2 3.95Å; I212-F253 HydrophobicContact CD1-CE1 3.74Å; I212-F253 HydrophobicContact CD1-CE2 3.25Å; I212-F253 HydrophobicContact CD1-CG 4.46Å; I212-F253 HydrophobicContact CD1-CZ 3.12Å; I249-F253 HydrophobicContact CG2-CD2 3.93Å; I249-F253 HydrophobicContact CG2-CE2 4.01Å; I249-F253 WeakPolarHBondContact O-CD2 3.39Å; I249-F253 PolarHBondContact O-N 3.47Å; I250-F253 PolarHBondContact O-N 3.37Å; F253-F257 HydrophobicContact CD2-CD2 4.38Å; F253-F257 HydrophobicContact CG-CD2 4.36Å; F253-F257 PolarHBondContact O-N 2.79Å; F253-T258 PolarHBondContact O-N 3.35Å; F253-T258 PolarHBondContact O-OG1 3.43Å |
| 254 | V | 90.3 | Very high | 89.5 | Confident | 78 Ų | 78 | 31 Ų | 31 | 47% | 0.473 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -67.6 | -43.4 | -175.1 | 174.3 | 0 | 0 | 0 | 0 | 112.6 | I250 V251 T258 P259 | I250-V254 HydrophobicContact CG2-CG2 4.08Å; I250-V254 WeakPolarHBondContact O-CB 3.29Å; I250-V254 VanDerWaalsContact O-CG2 3.3Å; I250-V254 WeakPolarHBondContact O-CG2 3.3Å; I250-V254 PolarHBondContact O-N 3.19Å; V251-V254 PolarHBondContact O-N 2.79Å; V254-T258 WeakPolarHBondContact CA-OG1 3.3Å; V254-T258 WeakPolarHBondContact O-CB 3.5Å; V254-P259 WeakPolarHBondContact O-CD 3.29Å |
| 255 | L | 92 | Very high | 90.3 | Very high | 102 Ų | 102 | 30.2 Ų | 30.2 | 53% | 0.534 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -90.1 | -35.2 | -173.7 | -60.7 | -175.1 | 0 | 0 | 0 | 113.3 | V251 | V251-L255 HydrophobicContact CG1-CD1 3.66Å; V251-L255 HydrophobicContact CG1-CG 4.21Å; V251-L255 VanDerWaalsContact O-CB 3.29Å; V251-L255 WeakPolarHBondContact O-CB 3.28Å; V251-L255 WeakPolarHBondContact O-CG 3.34Å; V251-L255 PolarHBondContact O-N 3Å |
| 256 | C | 94.2 | Very high | 91 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -97.2 | -52.8 | -176.2 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | V252 L296 M297 N300 | V252-C256 HydrophobicContact CG1-CB 4.21Å; V252-C256 WeakPolarHBondContact O-CA 3.37Å; V252-C256 WeakPolarHBondContact O-CB 3.45Å; V252-C256 PolarHBondContact O-N 3.46Å; C256-L296 WeakPolarHBondContact CA-O 3.22Å; C256-L296 VanDerWaalsContact CB-O 3.24Å; C256-L296 WeakPolarHBondContact CB-O 3.25Å; C256-L296 PolarHBondContact SG-O 2.81Å; C256-L296 VanDerWaalsContact SG-O 3.38Å; C256-M297 WeakPolarHBondContact O-CA 3.45Å; C256-M297 PolarHBondContact O-N 3.29Å; C256-N300 HydrophobicContact CB-CB 3.97Å |
| 257 | F | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -87.3 | -41.5 | -170.3 | -65.3 | -62.2 | 0 | 0 | 0 | 114 | T115 V119 M122 Y205 V252 F253 Y260 H261 M297 N300 | T115-F257 HydrophobicContact CG2-CD1 4.25Å; T115-F257 HydrophobicContact CG2-CE1 4.05Å; V119-F257 HydrophobicContact CG2-CD1 3.81Å; V119-F257 HydrophobicContact CG2-CD2 3.99Å; V119-F257 HydrophobicContact CG2-CE1 3.84Å; V119-F257 HydrophobicContact CG2-CE2 3.99Å; V119-F257 HydrophobicContact CG2-CG 3.91Å; V119-F257 HydrophobicContact CG2-CZ 3.93Å; M122-F257 HydrophobicContact CE-CE2 4.3Å; M122-F257 HydrophobicContact SD-CE2 4.14Å; Y205-F257 HydrophobicContact CD2-CB 4.01Å; Y205-F257 HydrophobicContact CE2-CB 3.74Å; V252-F257 HydrophobicContact CG1-CD2 4.06Å; V252-F257 HydrophobicContact CG1-CE2 3.7Å; V252-F257 PolarHBondContact O-N 2.8Å; F253-F257 HydrophobicContact CD2-CD2 4.38Å; F253-F257 HydrophobicContact CG-CD2 4.36Å; F253-F257 PolarHBondContact O-N 2.79Å; F257-Y260 PolarHBondContact O-N 2.83Å; F257-H261 PolarHBondContact O-N 2.03Å; F257-H261 PolarHBondContact O-ND1 2.9Å; F257-M297 HydrophobicContact CD1-CG 3.94Å; F257-M297 HydrophobicContact CE1-CG 4.18Å; F257-N300 HydrophobicContact CE1-CB 4.24Å; F257-N300 HydrophobicContact CE2-CB 4.14Å; F257-N300 HydrophobicContact CZ-CB 3.7Å |
| 258 | T | 94.4 | Very high | 91.9 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.3 | -49 | -176.5 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | Y205 F253 V254 Y260 H261 V262 | Y205-T258 VanDerWaalsContact OH-CA 3.3Å; Y205-T258 WeakPolarHBondContact OH-CA 3.42Å; Y205-T258 WeakPolarHBondContact OH-CB 3.38Å; Y205-T258 PolarHBondContact OH-OG1 3.29Å; F253-T258 PolarHBondContact O-N 3.35Å; F253-T258 PolarHBondContact O-OG1 3.43Å; V254-T258 WeakPolarHBondContact CA-OG1 3.3Å; V254-T258 WeakPolarHBondContact O-CB 3.5Å; T258-Y260 VanDerWaalsContact C-N 3.3Å; T258-Y260 PolarHBondContact O-N 3.32Å; T258-H261 PolarHBondContact O-N 2.97Å; T258-V262 HydrophobicContact CG2-CG2 3.67Å; T258-V262 WeakPolarHBondContact O-CB 3.45Å; T258-V262 VanDerWaalsContact O-CG2 3.27Å; T258-V262 WeakPolarHBondContact O-CG2 3.34Å; T258-V262 PolarHBondContact O-N 3.37Å |
| 259 | P | 96.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 24% | 0.24 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | -172.6 | -25.2 | 37.3 | 0 | 0 | 0 | 112.1 | V254 A263 T293 L296 | V254-P259 WeakPolarHBondContact O-CD 3.29Å; P259-A263 WeakPolarHBondContact O-CB 3.16Å; P259-A263 PolarHBondContact O-N 2.84Å; P259-T293 HydrophobicContact CB-CG2 3.68Å; P259-L296 HydrophobicContact CB-CD1 4.19Å; P259-L296 HydrophobicContact CG-CD1 4.08Å |
| 260 | Y | 95.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -51.8 | 178 | 173.3 | -98.8 | 0 | 0 | 0 | 112.2 | Y112 F257 T258 V262 A263 I264 L290 V294 M297 | Y112-Y260 WeakPolarHBondContact CE1-OH 3.17Å; Y112-Y260 PolarHBondContact OH-OH 3.43Å; F257-Y260 PolarHBondContact O-N 2.83Å; T258-Y260 VanDerWaalsContact C-N 3.3Å; T258-Y260 PolarHBondContact O-N 3.32Å; Y260-V262 VanDerWaalsContact C-N 3.34Å; Y260-V262 PolarHBondContact O-N 3.01Å; Y260-A263 PolarHBondContact O-N 3.28Å; Y260-I264 HydrophobicContact CD2-CG1 4.44Å; Y260-I264 HydrophobicContact CE1-CG1 4.09Å; Y260-I264 HydrophobicContact CE2-CD1 4.28Å; Y260-I264 HydrophobicContact CE2-CG1 3.99Å; Y260-I264 WeakPolarHBondContact O-CG1 3.41Å; Y260-I264 PolarHBondContact O-N 2.94Å; Y260-L290 HydrophobicContact CD2-CD1 3.98Å; Y260-L290 HydrophobicContact CE2-CD1 3.65Å; Y260-V294 HydrophobicContact CD2-CG2 3.52Å; Y260-V294 HydrophobicContact CE2-CG2 3.43Å; Y260-V294 VanDerWaalsContact CE2-CG2 3.43Å; Y260-M297 HydrophobicContact CD1-CE 4.49Å; Y260-M297 HydrophobicContact CD1-SD 3.37Å; Y260-M297 WeakPolarHBondContact CD1-SD 3.49Å; Y260-M297 HydrophobicContact CD2-SD 4.2Å; Y260-M297 HydrophobicContact CE1-CE 4.49Å; Y260-M297 HydrophobicContact CE1-SD 3.76Å; Y260-M297 HydrophobicContact CG-CB 4.5Å; Y260-M297 HydrophobicContact CG-SD 3.62Å |
| 261 | H | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.7 | -37.5 | -176.7 | -69.2 | 89.7 | 0 | 0 | 0 | 111.9 | Y205 F257 T258 I264 I265 | Y205-H261 WeakPolarHBondContact CB-CD2 3.48Å; Y205-H261 WeakPolarHBondContact CB-NE2 3Å; Y205-H261 HydrophobicContact CD1-CB 3.45Å; Y205-H261 VanDerWaalsContact CD1-CB 3.45Å; Y205-H261 AromaticContact CD1-CG 3.64Å; Y205-H261 HydrophobicContact CD2-CB 4.35Å; Y205-H261 AromaticContact CD2-CE1 3.89Å; Y205-H261 AromaticContact CD2-CG 3.82Å; Y205-H261 AromaticContact CD2-ND1 3.54Å; Y205-H261 HydrophobicContact CE1-CB 3.79Å; Y205-H261 HydrophobicContact CG-CB 3.78Å; Y205-H261 AromaticContact CG-CD2 3.65Å; Y205-H261 AromaticContact CG-CE1 3.97Å; Y205-H261 AromaticContact CG-CG 3.38Å; Y205-H261 AromaticContact CG-ND1 3.61Å; F257-H261 PolarHBondContact O-N 2.03Å; F257-H261 PolarHBondContact O-ND1 2.9Å; T258-H261 PolarHBondContact O-N 2.97Å; H261-I264 PolarHBondContact O-N 3.18Å; H261-I265 WeakPolarHBondContact O-CB 3.21Å; H261-I265 WeakPolarHBondContact O-CD1 3.49Å; H261-I265 WeakPolarHBondContact O-CG1 3.32Å; H261-I265 PolarHBondContact O-N 3.19Å |
| 262 | V | 95.4 | Very high | 92.1 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 44% | 0.436 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64 | -44.9 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | T258 Y260 I264 I265 Q266 | T258-V262 HydrophobicContact CG2-CG2 3.67Å; T258-V262 WeakPolarHBondContact O-CB 3.45Å; T258-V262 VanDerWaalsContact O-CG2 3.27Å; T258-V262 WeakPolarHBondContact O-CG2 3.34Å; T258-V262 PolarHBondContact O-N 3.37Å; Y260-V262 VanDerWaalsContact C-N 3.34Å; Y260-V262 PolarHBondContact O-N 3.01Å; V262-I264 PolarHBondContact O-N 3.45Å; V262-I265 PolarHBondContact O-N 3.07Å; V262-Q266 VanDerWaalsContact O-CB 3.25Å; V262-Q266 WeakPolarHBondContact O-CB 3.5Å; V262-Q266 PolarHBondContact O-N 3.28Å |
| 263 | A | 94.3 | Very high | 92 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P259 Y260 H267 T293 | P259-A263 WeakPolarHBondContact O-CB 3.16Å; P259-A263 PolarHBondContact O-N 2.84Å; Y260-A263 PolarHBondContact O-N 3.28Å; A263-H267 WeakPolarHBondContact O-CB 3.4Å; A263-H267 PolarHBondContact O-N 2.86Å; A263-T293 HydrophobicContact CB-CG2 4.43Å |
| 264 | I | 93.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -51.2 | 176.4 | -67.3 | -62 | 0 | 0 | 0 | 111.3 | L197 Y260 H261 V262 Q266 H267 M268 F286 L290 | L197-I264 HydrophobicContact CB-CG2 4.19Å; L197-I264 HydrophobicContact CD1-CG2 4.42Å; Y260-I264 HydrophobicContact CD2-CG1 4.44Å; Y260-I264 HydrophobicContact CE1-CG1 4.09Å; Y260-I264 HydrophobicContact CE2-CD1 4.28Å; Y260-I264 HydrophobicContact CE2-CG1 3.99Å; Y260-I264 WeakPolarHBondContact O-CG1 3.41Å; Y260-I264 PolarHBondContact O-N 2.94Å; H261-I264 PolarHBondContact O-N 3.18Å; V262-I264 PolarHBondContact O-N 3.45Å; I264-Q266 VanDerWaalsContact C-N 3.34Å; I264-Q266 PolarHBondContact O-N 3.36Å; I264-H267 PolarHBondContact O-N 3.01Å; I264-M268 HydrophobicContact CG2-CG 4.11Å; I264-M268 WeakPolarHBondContact O-CB 3.47Å; I264-M268 VanDerWaalsContact O-CG 3.3Å; I264-M268 WeakPolarHBondContact O-CG 3.26Å; I264-M268 PolarHBondContact O-N 3.08Å; I264-F286 HydrophobicContact CD1-CZ 4Å; I264-L290 HydrophobicContact CD1-CD1 3.6Å; I264-L290 HydrophobicContact CG1-CD1 4.3Å |
| 265 | I | 93.9 | Very high | 90.3 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | -177.9 | -71.4 | 165.1 | 0 | 0 | 0 | 110.2 | L198 C201 V206 H261 V262 H267 M268 I269 | L198-I265 HydrophobicContact CD2-CB 4.25Å; L198-I265 HydrophobicContact CD2-CG1 4.16Å; L198-I265 HydrophobicContact CD2-CG2 4.03Å; C201-I265 HydrophobicContact CB-CD1 4Å; C201-I265 HydrophobicContact CB-CG1 3.83Å; V206-I265 HydrophobicContact CG2-CD1 4.2Å; H261-I265 WeakPolarHBondContact O-CB 3.21Å; H261-I265 WeakPolarHBondContact O-CD1 3.49Å; H261-I265 WeakPolarHBondContact O-CG1 3.32Å; H261-I265 PolarHBondContact O-N 3.19Å; V262-I265 PolarHBondContact O-N 3.07Å; I265-H267 PolarHBondContact O-N 3Å; I265-M268 PolarHBondContact O-N 2.87Å; I265-I269 HydrophobicContact CG2-CD1 3.66Å; I265-I269 HydrophobicContact CG2-CG1 4.45Å; I265-I269 WeakPolarHBondContact O-CB 3.37Å; I265-I269 VanDerWaalsContact O-CG1 3.26Å; I265-I269 WeakPolarHBondContact O-CG1 3.48Å; I265-I269 PolarHBondContact O-N 3.4Å |
| 266 | Q | 93.3 | Very high | 88.9 | Confident | 106 Ų | 106 | 54.1 Ų | 54.1 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | -180 | -174.8 | -177.3 | -4.1 | 0 | 0 | 111.5 | V262 I264 K270 | V262-Q266 VanDerWaalsContact O-CB 3.25Å; V262-Q266 WeakPolarHBondContact O-CB 3.5Å; V262-Q266 PolarHBondContact O-N 3.28Å; I264-Q266 VanDerWaalsContact C-N 3.34Å; I264-Q266 PolarHBondContact O-N 3.36Å; Q266-K270 WeakPolarHBondContact O-CG 3.42Å; Q266-K270 PolarHBondContact O-N 3.31Å |
| 267 | H | 90 | Very high | 87.5 | Confident | 7 Ų | 7 | 62 Ų | 62 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 179.6 | -172.7 | 58.1 | 0 | 0 | 0 | 112.3 | Y184 A263 I264 I265 I269 K270 K271 F286 | Y184-H267 AromaticContact CE1-NE2 3.43Å; Y184-H267 WeakPolarHBondContact CE1-NE2 3.45Å; Y184-H267 AromaticContact CE2-CD2 3.97Å; Y184-H267 AromaticContact CZ-CD2 3.58Å; Y184-H267 AromaticContact CZ-NE2 3.26Å; Y184-H267 VanDerWaalsContact CZ-NE2 3.26Å; Y184-H267 PolarHBondContact OH-CD2 3.28Å; Y184-H267 PolarHBondContact OH-NE2 2.86Å; A263-H267 WeakPolarHBondContact O-CB 3.4Å; A263-H267 PolarHBondContact O-N 2.86Å; I264-H267 PolarHBondContact O-N 3.01Å; I265-H267 PolarHBondContact O-N 3Å; H267-I269 PolarHBondContact O-N 3.36Å; H267-K270 PolarHBondContact O-N 3.49Å; H267-K271 WeakPolarHBondContact O-CB 3.32Å; H267-K271 PolarHBondContact O-N 2.85Å; H267-F286 HydrophobicContact CB-CD2 3.54Å; H267-F286 HydrophobicContact CB-CE1 4.41Å; H267-F286 HydrophobicContact CB-CE2 3.32Å; H267-F286 HydrophobicContact CB-CG 4.18Å; H267-F286 HydrophobicContact CB-CZ 3.8Å; H267-F286 AromaticContact CD2-CD1 3.45Å; H267-F286 VanDerWaalsContact CD2-CD1 3.45Å; H267-F286 WeakPolarHBondContact CD2-CD1 3.39Å; H267-F286 AromaticContact CD2-CD2 3.98Å; H267-F286 AromaticContact CD2-CE1 3.19Å; H267-F286 WeakPolarHBondContact CD2-CE1 3.17Å; H267-F286 AromaticContact CD2-CE2 3.76Å; H267-F286 AromaticContact CD2-CG 3.84Å; H267-F286 AromaticContact CD2-CZ 3.35Å; H267-F286 WeakPolarHBondContact CD2-CZ 3.25Å; H267-F286 AromaticContact CE1-CD1 3.8Å; H267-F286 AromaticContact CE1-CG 3.92Å; H267-F286 AromaticContact CG-CD1 3.81Å; H267-F286 AromaticContact CG-CD2 3.57Å; H267-F286 AromaticContact CG-CE1 3.82Å; H267-F286 AromaticContact CG-CE2 3.59Å; H267-F286 AromaticContact CG-CG 3.68Å; H267-F286 AromaticContact CG-CZ 3.7Å; H267-F286 AromaticContact ND1-CD2 3.99Å; H267-F286 AromaticContact ND1-CG 3.76Å; H267-F286 AromaticContact NE2-CD1 3.47Å; H267-F286 WeakPolarHBondContact NE2-CD1 3.23Å; H267-F286 AromaticContact NE2-CE1 3.58Å; H267-F286 AromaticContact NE2-CG 4Å |
| 268 | M | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 178.3 | -69.3 | -48.5 | 104.1 | 0 | 0 | 112.1 | Y184 P194 L197 L198 I264 I265 K271 L272 | Y184-M268 HydrophobicContact CE2-CE 3.6Å; P194-M268 HydrophobicContact CB-CB 4.21Å; P194-M268 HydrophobicContact CB-SD 4.03Å; P194-M268 HydrophobicContact CG-SD 4.29Å; L197-M268 HydrophobicContact CB-CG 4Å; L197-M268 HydrophobicContact CB-SD 4.38Å; L197-M268 HydrophobicContact CD1-CE 4.29Å; L197-M268 HydrophobicContact CD1-CG 4.33Å; L197-M268 HydrophobicContact CD1-SD 3.87Å; L198-M268 HydrophobicContact CD1-CB 4.15Å; L198-M268 HydrophobicContact CD2-CB 4.06Å; L198-M268 HydrophobicContact CG-CB 3.82Å; I264-M268 HydrophobicContact CG2-CG 4.11Å; I264-M268 WeakPolarHBondContact O-CB 3.47Å; I264-M268 VanDerWaalsContact O-CG 3.3Å; I264-M268 WeakPolarHBondContact O-CG 3.26Å; I264-M268 PolarHBondContact O-N 3.08Å; I265-M268 PolarHBondContact O-N 2.87Å; M268-K271 PolarHBondContact O-N 3.37Å; M268-L272 WeakPolarHBondContact O-CG 3.06Å; M268-L272 PolarHBondContact O-N 3.29Å |
| 269 | I | 91 | Very high | 85.9 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 43% | 0.431 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.6 | -69.6 | 169.2 | 0 | 0 | 0 | 110.6 | L198 I265 H267 K271 L272 R273 | L198-I269 HydrophobicContact CD1-CG1 4.42Å; L198-I269 HydrophobicContact CD2-CG1 4.23Å; I265-I269 HydrophobicContact CG2-CD1 3.66Å; I265-I269 HydrophobicContact CG2-CG1 4.45Å; I265-I269 WeakPolarHBondContact O-CB 3.37Å; I265-I269 VanDerWaalsContact O-CG1 3.26Å; I265-I269 WeakPolarHBondContact O-CG1 3.48Å; I265-I269 PolarHBondContact O-N 3.4Å; H267-I269 PolarHBondContact O-N 3.36Å; I269-K271 VanDerWaalsContact C-N 3.34Å; I269-K271 PolarHBondContact O-N 2.99Å; I269-L272 PolarHBondContact O-N 3.26Å; I269-R273 HydrophobicContact CG2-CG 4.27Å; I269-R273 VanDerWaalsContact O-CG 3.24Å; I269-R273 WeakPolarHBondContact O-CG 3.47Å; I269-R273 PolarHBondContact O-N 3.4Å |
| 270 | K | 88.2 | Confident | 85.3 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.7 | -76.4 | 178.4 | 177 | -176.4 | 0 | 111.3 | Q266 H267 L272 R273 F274 | Q266-K270 WeakPolarHBondContact O-CG 3.42Å; Q266-K270 PolarHBondContact O-N 3.31Å; H267-K270 PolarHBondContact O-N 3.49Å; K270-L272 VanDerWaalsContact C-N 3.28Å; K270-L272 PolarHBondContact O-N 2.92Å; K270-R273 PolarHBondContact O-N 3.25Å; K270-R273 VanDerWaalsContact O-N 3.09Å; K270-F274 HydrophobicContact CB-CD2 4.44Å; K270-F274 WeakPolarHBondContact O-CD2 3.26Å; K270-F274 PolarHBondContact O-N 3.07Å |
| 271 | K | 85.3 | Confident | 84.7 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 10% | 0.096 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.3 | -37 | 178.5 | -173.5 | 168.7 | 177.2 | 176.6 | 0 | 113 | E188 P194 H267 M268 I269 L278 | E188-K271 VanDerWaalsContact CG-NZ 3.29Å; E188-K271 PolarHBondContact O-NZ 3.26Å; P194-K271 HydrophobicContact CG-CD 4.04Å; P194-K271 HydrophobicContact CG-CG 4.25Å; H267-K271 WeakPolarHBondContact O-CB 3.32Å; H267-K271 PolarHBondContact O-N 2.85Å; M268-K271 PolarHBondContact O-N 3.37Å; I269-K271 VanDerWaalsContact C-N 3.34Å; I269-K271 PolarHBondContact O-N 2.99Å; K271-L278 HydrophobicContact CB-CD1 4.34Å |
| 272 | L | 87.9 | Confident | 84.2 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.1 | -32.2 | 175.1 | -73 | 172.7 | 0 | 0 | 0 | 113.5 | P194 W195 L198 M268 I269 K270 | P194-L272 HydrophobicContact CB-CD1 4.01Å; P194-L272 HydrophobicContact CB-CD2 3.8Å; P194-L272 HydrophobicContact CB-CG 3.67Å; P194-L272 HydrophobicContact CG-CD2 4.19Å; P194-L272 HydrophobicContact CG-CG 4.36Å; W195-L272 HydrophobicContact CD2-CD1 4.38Å; W195-L272 HydrophobicContact CH2-CD1 4.31Å; W195-L272 HydrophobicContact CZ2-CD1 4.13Å; W195-L272 HydrophobicContact CZ2-CD2 4.19Å; W195-L272 HydrophobicContact CZ3-CD1 4.5Å; L198-L272 HydrophobicContact CD1-CD1 3.71Å; M268-L272 WeakPolarHBondContact O-CG 3.06Å; M268-L272 PolarHBondContact O-N 3.29Å; I269-L272 PolarHBondContact O-N 3.26Å; K270-L272 VanDerWaalsContact C-N 3.28Å; K270-L272 PolarHBondContact O-N 2.92Å |
| 273 | R | 86.7 | Confident | 83.7 | Confident | 200 Ų | 200 | 74.5 Ų | 74.5 | 76% | 0.755 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -84.2 | -33 | -175.2 | -68.8 | -76.9 | -87.4 | -174.4 | -5.3 | 113.4 | I269 K270 | I269-R273 HydrophobicContact CG2-CG 4.27Å; I269-R273 VanDerWaalsContact O-CG 3.24Å; I269-R273 WeakPolarHBondContact O-CG 3.47Å; I269-R273 PolarHBondContact O-N 3.4Å; K270-R273 PolarHBondContact O-N 3.25Å; K270-R273 VanDerWaalsContact O-N 3.09Å |
| 274 | F | 81.4 | Confident | 83.3 | Confident | 135 Ų | 135 | 76.4 Ų | 76.4 | 59% | 0.592 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 21.6 | -170.7 | -61.2 | -76.3 | 0 | 0 | 0 | 113.9 | K270 N276 F277 | K270-F274 HydrophobicContact CB-CD2 4.44Å; K270-F274 WeakPolarHBondContact O-CD2 3.26Å; K270-F274 PolarHBondContact O-N 3.07Å; F274-N276 PolarHBondContact O-N 3.06Å; F274-F277 PolarHBondContact O-N 2.85Å; F274-F277 VanDerWaalsContact O-N 3.08Å |
| 275 | S | 62.9 | Low | 83 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 69% | 0.685 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 24.1 | 83.5 | 171.7 | -66.2 | 0 | 0 | 0 | 0 | 115.1 | F277 | S275-F277 PolarHBondContact O-N 3.3Š|
| 276 | N | 62.3 | Low | 82.8 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 68% | 0.684 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -8.6 | 175.7 | -63.7 | -25.8 | 0 | 0 | 0 | 118.2 | F274 L278 R283 | F274-N276 PolarHBondContact O-N 3.06Å; N276-L278 PolarHBondContact O-N 2.86Å; N276-R283 PolarHBondContact O-NH2 2.83Å |
| 277 | F | 64.3 | Low | 82.6 | Confident | 170 Ų | 170 | 73.2 Ų | 73.2 | 75% | 0.746 | 37% | 0.365 | S | S | * | . | trans | -91.3 | 68.6 | 176.6 | -157.9 | -92 | 0 | 0 | 0 | 110.9 | F274 S275 | F274-F277 PolarHBondContact O-N 2.85Å; F274-F277 VanDerWaalsContact O-N 3.08Å; S275-F277 PolarHBondContact O-N 3.3Å | ||
| 278 | L | 75.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | trans | -97.1 | 125.4 | 163.6 | -83.3 | 113.4 | 0 | 0 | 0 | 108.8 | K271 N276 Q282 R283 | K271-L278 HydrophobicContact CB-CD1 4.34Å; N276-L278 PolarHBondContact O-N 2.86Å; L278-Q282 HydrophobicContact CD2-CB 4.25Å; L278-R283 HydrophobicContact CB-CG 4.01Å | ||
| 279 | E | 81.3 | Confident | 82.6 | Confident | 113 Ų | 113 | 78.5 Ų | 78.5 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | trans | -58.7 | 146.9 | 173.3 | -68.1 | 174 | 170.4 | 0 | 0 | 111.1 | S281 Q282 R283 | E279-S281 PolarHBondContact O-N 2.75Å; E279-Q282 HydrophobicContact CB-CG 4.24Å; E279-Q282 WeakPolarHBondContact O-CB 3.36Å; E279-Q282 PolarHBondContact O-N 3.46Å; E279-R283 PolarHBondContact O-N 3.11Å | ||
| 280 | C | 82.9 | Confident | 82.6 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.8 | -42.3 | 178.6 | 174.2 | 0 | 0 | 0 | 0 | 112.4 | C21 Q282 R283 H284 | C21-C280 WeakPolarHBondContact CA-SG 3.27Å; C21-C280 HydrophobicContact CB-CB 3.74Å; C21-C280 WeakPolarHBondContact CB-SG 3.27Å; C21-C280 WeakPolarHBondContact SG-CA 3.31Å; C21-C280 WeakPolarHBondContact SG-CB 3.45Å; C21-C280 CovalentContact SG-SG 2.03Å; C21-C280 PolarHBondContact SG-SG 3.34Å; C280-Q282 VanDerWaalsContact C-N 3.25Å; C280-Q282 PolarHBondContact O-N 3.4Å; C280-R283 PolarHBondContact O-N 3.04Å; C280-R283 VanDerWaalsContact O-N 3.16Å; C280-H284 WeakPolarHBondContact O-CB 3.49Å; C280-H284 PolarHBondContact O-N 3.25Å |
| 281 | S | 83.6 | Confident | 82.8 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.5 | -39 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | E279 S285 | E279-S281 PolarHBondContact O-N 2.75Å; S281-S285 VanDerWaalsContact O-CB 3.28Å; S281-S285 WeakPolarHBondContact O-CB 3.26Å; S281-S285 PolarHBondContact O-N 2.99Å; S281-S285 PolarHBondContact O-OG 3.29Å |
| 282 | Q | 83.8 | Confident | 83.2 | Confident | 79 Ų | 79 | 77 Ų | 77 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.3 | -41.6 | 179.3 | -62.4 | -178.9 | 5.1 | 0 | 0 | 111.7 | L278 E279 C280 F286 | L278-Q282 HydrophobicContact CD2-CB 4.25Å; E279-Q282 HydrophobicContact CB-CG 4.24Å; E279-Q282 WeakPolarHBondContact O-CB 3.36Å; E279-Q282 PolarHBondContact O-N 3.46Å; C280-Q282 VanDerWaalsContact C-N 3.25Å; C280-Q282 PolarHBondContact O-N 3.4Å; Q282-F286 WeakPolarHBondContact O-CB 3.05Å; Q282-F286 PolarHBondContact O-N 3.46Å |
| 283 | R | 84.9 | Confident | 83.5 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 28% | 0.275 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.8 | -65.9 | -173.1 | 179.5 | 169.4 | 4.2 | 111.5 | L23 E188 N276 L278 E279 C280 F286 Q287 | L23-R283 HydrophobicContact CD2-CB 3.69Å; E188-R283 IonicContact OE1-CZ 3.99Å; E188-R283 IonicContact OE1-NE 3.76Å; N276-R283 PolarHBondContact O-NH2 2.83Å; L278-R283 HydrophobicContact CB-CG 4.01Å; E279-R283 PolarHBondContact O-N 3.11Å; C280-R283 PolarHBondContact O-N 3.04Å; C280-R283 VanDerWaalsContact O-N 3.16Å; R283-F286 PolarHBondContact O-N 2.74Å; R283-Q287 WeakPolarHBondContact O-CB 3.33Å; R283-Q287 PolarHBondContact O-N 3.03Å |
| 284 | H | 86.3 | Confident | 83.9 | Confident | 51 Ų | 51 | 66 Ų | 66 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.7 | 179 | -101.2 | 0 | 0 | 0 | 111.7 | D22 L23 C280 F286 Q287 I288 | D22-H284 PolarHBondContact O-CD2 3.3Å; L23-H284 HydrophobicContact CD2-CB 4.11Å; C280-H284 WeakPolarHBondContact O-CB 3.49Å; C280-H284 PolarHBondContact O-N 3.25Å; H284-F286 VanDerWaalsContact C-N 3.31Å; H284-F286 PolarHBondContact O-N 3.04Å; H284-Q287 WeakPolarHBondContact O-CB 3.38Å; H284-Q287 PolarHBondContact O-N 3.42Å; H284-I288 WeakPolarHBondContact CE1-CD1 3.49Å; H284-I288 PolarHBondContact O-N 2.9Å |
| 285 | S | 86.8 | Confident | 84.5 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 49% | 0.49 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 175.8 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | S281 S289 | S281-S285 VanDerWaalsContact O-CB 3.28Å; S281-S285 WeakPolarHBondContact O-CB 3.26Å; S281-S285 PolarHBondContact O-N 2.99Å; S281-S285 PolarHBondContact O-OG 3.29Å; S285-S289 VanDerWaalsContact O-CB 3.27Å; S285-S289 WeakPolarHBondContact O-CB 3.42Å; S285-S289 PolarHBondContact O-N 2.94Å |
| 286 | F | 89.2 | Confident | 86.1 | Confident | 16 Ų | 16 | 58 Ų | 58 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 174.7 | 172.9 | -105.1 | 0 | 0 | 0 | 111.8 | Y184 I264 H267 Q282 R283 H284 I288 S289 L290 | Y184-F286 HydrophobicContact CD1-CD1 4.17Å; Y184-F286 AromaticContact CD1-CE1 3.79Å; Y184-F286 HydrophobicContact CD1-CE1 3.79Å; Y184-F286 AromaticContact CD2-CE1 3.8Å; Y184-F286 HydrophobicContact CD2-CE1 3.8Å; Y184-F286 HydrophobicContact CD2-CZ 4.4Å; Y184-F286 HydrophobicContact CE1-CD1 4.34Å; Y184-F286 HydrophobicContact CE1-CE1 4.04Å; Y184-F286 HydrophobicContact CE2-CE1 4.06Å; Y184-F286 HydrophobicContact CG-CD1 4.45Å; Y184-F286 AromaticContact CG-CE1 3.67Å; Y184-F286 HydrophobicContact CG-CE1 3.67Å; I264-F286 HydrophobicContact CD1-CZ 4Å; H267-F286 HydrophobicContact CB-CD2 3.54Å; H267-F286 HydrophobicContact CB-CE1 4.41Å; H267-F286 HydrophobicContact CB-CE2 3.32Å; H267-F286 HydrophobicContact CB-CG 4.18Å; H267-F286 HydrophobicContact CB-CZ 3.8Å; H267-F286 AromaticContact CD2-CD1 3.45Å; H267-F286 VanDerWaalsContact CD2-CD1 3.45Å; H267-F286 WeakPolarHBondContact CD2-CD1 3.39Å; H267-F286 AromaticContact CD2-CD2 3.98Å; H267-F286 AromaticContact CD2-CE1 3.19Å; H267-F286 WeakPolarHBondContact CD2-CE1 3.17Å; H267-F286 AromaticContact CD2-CE2 3.76Å; H267-F286 AromaticContact CD2-CG 3.84Å; H267-F286 AromaticContact CD2-CZ 3.35Å; H267-F286 WeakPolarHBondContact CD2-CZ 3.25Å; H267-F286 AromaticContact CE1-CD1 3.8Å; H267-F286 AromaticContact CE1-CG 3.92Å; H267-F286 AromaticContact CG-CD1 3.81Å; H267-F286 AromaticContact CG-CD2 3.57Å; H267-F286 AromaticContact CG-CE1 3.82Å; H267-F286 AromaticContact CG-CE2 3.59Å; H267-F286 AromaticContact CG-CG 3.68Å; H267-F286 AromaticContact CG-CZ 3.7Å; H267-F286 AromaticContact ND1-CD2 3.99Å; H267-F286 AromaticContact ND1-CG 3.76Å; H267-F286 AromaticContact NE2-CD1 3.47Å; H267-F286 WeakPolarHBondContact NE2-CD1 3.23Å; H267-F286 AromaticContact NE2-CE1 3.58Å; H267-F286 AromaticContact NE2-CG 4Å; Q282-F286 WeakPolarHBondContact O-CB 3.05Å; Q282-F286 PolarHBondContact O-N 3.46Å; R283-F286 PolarHBondContact O-N 2.74Å; H284-F286 VanDerWaalsContact C-N 3.31Å; H284-F286 PolarHBondContact O-N 3.04Å; F286-I288 PolarHBondContact O-N 3.3Å; F286-S289 PolarHBondContact O-N 3.01Å; F286-L290 HydrophobicContact CE1-CD2 4.13Å; F286-L290 HydrophobicContact CZ-CB 4.43Å; F286-L290 HydrophobicContact CZ-CD1 4.21Å; F286-L290 HydrophobicContact CZ-CD2 4.18Å; F286-L290 VanDerWaalsContact O-CB 3.26Å; F286-L290 WeakPolarHBondContact O-CB 3.19Å; F286-L290 PolarHBondContact O-N 3.28Å |
| 287 | Q | 88.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 178.2 | -174.9 | 70.3 | 0.9 | 0 | 0 | 111.7 | L23 E183 R283 H284 L290 H291 | L23-Q287 HydrophobicContact CB-CG 4.37Å; L23-Q287 WeakPolarHBondContact O-CG 3.46Å; E183-Q287 PolarHBondContact OE2-NE2 2.97Å; R283-Q287 WeakPolarHBondContact O-CB 3.33Å; R283-Q287 PolarHBondContact O-N 3.03Å; H284-Q287 WeakPolarHBondContact O-CB 3.38Å; H284-Q287 PolarHBondContact O-N 3.42Å; Q287-L290 PolarHBondContact O-N 3.27Å; Q287-H291 PolarHBondContact NE2-NE2 3.4Å; Q287-H291 PolarHBondContact O-N 3.15Å |
| 288 | I | 89.3 | Confident | 89.1 | Confident | 67 Ų | 67 | 44 Ų | 44 | 34% | 0.344 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 175.8 | -67.3 | 172.8 | 0 | 0 | 0 | 111.1 | H26 H284 F286 L290 H291 F292 | H26-I288 HydrophobicContact CB-CD1 4.4Å; H26-I288 HydrophobicContact CB-CG1 4.44Å; H284-I288 WeakPolarHBondContact CE1-CD1 3.49Å; H284-I288 PolarHBondContact O-N 2.9Å; F286-I288 PolarHBondContact O-N 3.3Å; I288-L290 VanDerWaalsContact C-N 3.28Å; I288-L290 PolarHBondContact O-N 2.97Å; I288-H291 WeakPolarHBondContact O-CB 3.32Å; I288-H291 PolarHBondContact O-N 3.02Å; I288-F292 PolarHBondContact O-N 3.47Å |
| 289 | S | 92.6 | Very high | 90.1 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | S285 F286 F292 T293 | S285-S289 VanDerWaalsContact O-CB 3.27Å; S285-S289 WeakPolarHBondContact O-CB 3.42Å; S285-S289 PolarHBondContact O-N 2.94Å; F286-S289 PolarHBondContact O-N 3.01Å; S289-F292 PolarHBondContact O-N 3.18Å; S289-T293 WeakPolarHBondContact O-CB 3.47Å; S289-T293 VanDerWaalsContact O-CG2 3.23Å; S289-T293 WeakPolarHBondContact O-CG2 3.35Å; S289-T293 PolarHBondContact O-N 3.14Å; S289-T293 PolarHBondContact O-OG1 3.01Å |
| 290 | L | 91.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 178.3 | -173.2 | 65.9 | 0 | 0 | 0 | 110.9 | Y184 Y260 I264 F286 Q287 I288 F292 T293 V294 | Y184-L290 HydrophobicContact CG-CD2 4.49Å; Y260-L290 HydrophobicContact CD2-CD1 3.98Å; Y260-L290 HydrophobicContact CE2-CD1 3.65Å; I264-L290 HydrophobicContact CD1-CD1 3.6Å; I264-L290 HydrophobicContact CG1-CD1 4.3Å; F286-L290 HydrophobicContact CE1-CD2 4.13Å; F286-L290 HydrophobicContact CZ-CB 4.43Å; F286-L290 HydrophobicContact CZ-CD1 4.21Å; F286-L290 HydrophobicContact CZ-CD2 4.18Å; F286-L290 VanDerWaalsContact O-CB 3.26Å; F286-L290 WeakPolarHBondContact O-CB 3.19Å; F286-L290 PolarHBondContact O-N 3.28Å; Q287-L290 PolarHBondContact O-N 3.27Å; I288-L290 VanDerWaalsContact C-N 3.28Å; I288-L290 PolarHBondContact O-N 2.97Å; L290-F292 PolarHBondContact O-N 3.28Å; L290-T293 WeakPolarHBondContact CA-OG1 3.44Å; L290-T293 PolarHBondContact O-N 2.76Å; L290-T293 PolarHBondContact O-OG1 2.97Å; L290-T293 VanDerWaalsContact O-OG1 3.11Å; L290-V294 HydrophobicContact CD1-CG2 4.19Å; L290-V294 HydrophobicContact CG-CG2 4.26Å; L290-V294 VanDerWaalsContact O-CB 3.25Å; L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 WeakPolarHBondContact O-CG2 3.41Å; L290-V294 PolarHBondContact O-N 3.49Å |
| 291 | H | 92.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.1 | -46.7 | 175.1 | -84.2 | -171.1 | 0 | 0 | 0 | 112.8 | H26 M34 F95 E183 Q287 I288 C295 | H26-H291 AromaticContact CD2-ND1 3.81Å; H26-H291 AromaticContact CE1-CE1 3.9Å; H26-H291 AromaticContact CE1-ND1 3.81Å; H26-H291 AromaticContact NE2-CE1 3.3Å; H26-H291 PolarHBondContact NE2-CE1 3.33Å; H26-H291 VanDerWaalsContact NE2-CE1 3.3Å; H26-H291 AromaticContact NE2-CG 3.99Å; H26-H291 AromaticContact NE2-ND1 2.86Å; H26-H291 PolarHBondContact NE2-ND1 2.91Å; M34-H291 HydrophobicContact CE-CB 3.53Å; F95-H291 AromaticContact CE1-CE1 3.55Å; F95-H291 AromaticContact CZ-CE1 3.95Å; E183-H291 IonicContact OE1-NE2 3.79Å; E183-H291 IonicContact OE2-CD2 3.18Å; E183-H291 IonicContact OE2-CE1 2.69Å; E183-H291 IonicContact OE2-NE2 3.61Å; E183-H291 PolarHBondContact OE2-NE2 2.92Å; Q287-H291 PolarHBondContact NE2-NE2 3.4Å; Q287-H291 PolarHBondContact O-N 3.15Å; I288-H291 WeakPolarHBondContact O-CB 3.32Å; I288-H291 PolarHBondContact O-N 3.02Å; H291-C295 PolarHBondContact O-N 3.1Å; H291-C295 VanDerWaalsContact O-N 3.13Å; H291-C295 PolarHBondContact O-SG 3.33Å |
| 292 | F | 92.8 | Very high | 91.6 | Very high | 132 Ų | 132 | 34.6 Ų | 34.6 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -64.6 | -47.8 | 176.9 | 178.7 | -103.3 | 0 | 0 | 0 | 112.3 | I288 S289 L290 V294 C295 L296 | I288-F292 PolarHBondContact O-N 3.47Å; S289-F292 PolarHBondContact O-N 3.18Å; L290-F292 PolarHBondContact O-N 3.28Å; F292-V294 PolarHBondContact O-N 3.18Å; F292-C295 VanDerWaalsContact O-CB 3.31Å; F292-C295 WeakPolarHBondContact O-CB 3.33Å; F292-C295 PolarHBondContact O-N 2.86Å; F292-C295 VanDerWaalsContact O-N 3.14Å; F292-L296 HydrophobicContact CD1-CD1 4.03Å; F292-L296 HydrophobicContact CE1-CD1 3.44Å; F292-L296 VanDerWaalsContact CE1-CD1 3.44Å; F292-L296 HydrophobicContact CE1-CG 4.14Å; F292-L296 HydrophobicContact CZ-CD1 3.87Å; F292-L296 HydrophobicContact CZ-CD2 4.44Å; F292-L296 HydrophobicContact CZ-CG 4.23Å; F292-L296 PolarHBondContact O-N 3.05Å |
| 293 | T | 95.7 | Very high | 92 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.2 | -33.3 | -178 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | P259 A263 S289 L290 C295 L296 M297 | P259-T293 HydrophobicContact CB-CG2 3.68Å; A263-T293 HydrophobicContact CB-CG2 4.43Å; S289-T293 WeakPolarHBondContact O-CB 3.47Å; S289-T293 VanDerWaalsContact O-CG2 3.23Å; S289-T293 WeakPolarHBondContact O-CG2 3.35Å; S289-T293 PolarHBondContact O-N 3.14Å; S289-T293 PolarHBondContact O-OG1 3.01Å; L290-T293 WeakPolarHBondContact CA-OG1 3.44Å; L290-T293 PolarHBondContact O-N 2.76Å; L290-T293 PolarHBondContact O-OG1 2.97Å; L290-T293 VanDerWaalsContact O-OG1 3.11Å; T293-C295 VanDerWaalsContact C-N 3.32Å; T293-L296 PolarHBondContact O-N 3.05Å; T293-M297 WeakPolarHBondContact O-CB 3.3Å; T293-M297 PolarHBondContact O-N 2.79Å |
| 294 | V | 94.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65 | -36.5 | 170.2 | 168 | 0 | 0 | 0 | 0 | 111 | Y260 L290 F292 M297 N298 | Y260-V294 HydrophobicContact CD2-CG2 3.52Å; Y260-V294 HydrophobicContact CE2-CG2 3.43Å; Y260-V294 VanDerWaalsContact CE2-CG2 3.43Å; L290-V294 HydrophobicContact CD1-CG2 4.19Å; L290-V294 HydrophobicContact CG-CG2 4.26Å; L290-V294 VanDerWaalsContact O-CB 3.25Å; L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 WeakPolarHBondContact O-CG2 3.41Å; L290-V294 PolarHBondContact O-N 3.49Å; F292-V294 PolarHBondContact O-N 3.18Å; V294-M297 PolarHBondContact O-N 3.4Å; V294-N298 VanDerWaalsContact CG1-ND2 3.27Å; V294-N298 WeakPolarHBondContact CG1-ND2 3.29Å; V294-N298 VanDerWaalsContact O-CB 3.31Å; V294-N298 WeakPolarHBondContact O-CB 3.46Å; V294-N298 VanDerWaalsContact O-CG 3.24Å; V294-N298 PolarHBondContact O-N 3.19Å; V294-N298 PolarHBondContact O-ND2 3.39Å |
| 295 | C | 94.8 | Very high | 92 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 173.7 | -72.5 | 0 | 0 | 0 | 0 | 112 | M34 H37 H291 F292 T293 N298 F299 | M34-C295 PolarHBondContact SD-SG 2.91Å; H37-C295 WeakPolarHBondContact NE2-CB 3.4Å; H37-C295 PolarHBondContact NE2-O 2.85Å; H291-C295 PolarHBondContact O-N 3.1Å; H291-C295 VanDerWaalsContact O-N 3.13Å; H291-C295 PolarHBondContact O-SG 3.33Å; F292-C295 VanDerWaalsContact O-CB 3.31Å; F292-C295 WeakPolarHBondContact O-CB 3.33Å; F292-C295 PolarHBondContact O-N 2.86Å; F292-C295 VanDerWaalsContact O-N 3.14Å; T293-C295 VanDerWaalsContact C-N 3.32Å; C295-N298 PolarHBondContact O-N 3.31Å; C295-F299 PolarHBondContact O-N 2.7Å; C295-F299 VanDerWaalsContact O-N 3.08Å |
| 296 | L | 95.5 | Very high | 91.9 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 27% | 0.272 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.7 | -70.3 | 179 | 0 | 0 | 0 | 112 | C256 P259 F292 T293 N298 F299 | C256-L296 WeakPolarHBondContact CA-O 3.22Å; C256-L296 VanDerWaalsContact CB-O 3.24Å; C256-L296 WeakPolarHBondContact CB-O 3.25Å; C256-L296 PolarHBondContact SG-O 2.81Å; C256-L296 VanDerWaalsContact SG-O 3.38Å; P259-L296 HydrophobicContact CB-CD1 4.19Å; P259-L296 HydrophobicContact CG-CD1 4.08Å; F292-L296 HydrophobicContact CD1-CD1 4.03Å; F292-L296 HydrophobicContact CE1-CD1 3.44Å; F292-L296 VanDerWaalsContact CE1-CD1 3.44Å; F292-L296 HydrophobicContact CE1-CG 4.14Å; F292-L296 HydrophobicContact CZ-CD1 3.87Å; F292-L296 HydrophobicContact CZ-CD2 4.44Å; F292-L296 HydrophobicContact CZ-CG 4.23Å; F292-L296 PolarHBondContact O-N 3.05Å; T293-L296 PolarHBondContact O-N 3.05Å; L296-N298 VanDerWaalsContact C-N 3.35Å; L296-N298 PolarHBondContact O-N 3.3Å; L296-F299 WeakPolarHBondContact O-CB 3.28Å; L296-F299 PolarHBondContact O-N 2.96Å; L296-F299 VanDerWaalsContact O-N 3.16Å |
| 297 | M | 95.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -48.9 | 176.5 | -176.1 | -177.2 | 73.8 | 0 | 0 | 110.9 | T115 C256 F257 Y260 T293 V294 F299 N300 | T115-M297 HydrophobicContact CG2-CE 4.27Å; T115-M297 HydrophobicContact CG2-CG 4.11Å; T115-M297 HydrophobicContact CG2-SD 3.45Å; T115-M297 WeakPolarHBondContact CG2-SD 3.47Å; T115-M297 WeakPolarHBondContact OG1-CE 3.04Å; C256-M297 WeakPolarHBondContact O-CA 3.45Å; C256-M297 PolarHBondContact O-N 3.29Å; F257-M297 HydrophobicContact CD1-CG 3.94Å; F257-M297 HydrophobicContact CE1-CG 4.18Å; Y260-M297 HydrophobicContact CD1-CE 4.49Å; Y260-M297 HydrophobicContact CD1-SD 3.37Å; Y260-M297 WeakPolarHBondContact CD1-SD 3.49Å; Y260-M297 HydrophobicContact CD2-SD 4.2Å; Y260-M297 HydrophobicContact CE1-CE 4.49Å; Y260-M297 HydrophobicContact CE1-SD 3.76Å; Y260-M297 HydrophobicContact CG-CB 4.5Å; Y260-M297 HydrophobicContact CG-SD 3.62Å; T293-M297 WeakPolarHBondContact O-CB 3.3Å; T293-M297 PolarHBondContact O-N 2.79Å; V294-M297 PolarHBondContact O-N 3.4Å; M297-F299 PolarHBondContact O-N 2.94Å; M297-N300 VanDerWaalsContact O-CB 3.23Å; M297-N300 WeakPolarHBondContact O-CB 3.48Å; M297-N300 PolarHBondContact O-N 3.4Å; M297-N300 VanDerWaalsContact O-N 3.11Å; M297-N300 PolarHBondContact O-ND2 3.23Å |
| 298 | N | 94.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.2 | -18.9 | 179.5 | -74.7 | -35.1 | 0 | 0 | 0 | 114 | Y38 F80 V294 C295 L296 N300 C301 | Y38-N298 HydrophobicContact CE1-CB 4.12Å; Y38-N298 PolarHBondContact OH-ND2 3.39Å; F80-N298 HydrophobicContact CE1-CB 4.43Å; F80-N298 HydrophobicContact CE2-CB 4.49Å; F80-N298 WeakPolarHBondContact CE2-OD1 3.09Å; F80-N298 HydrophobicContact CZ-CB 3.69Å; F80-N298 WeakPolarHBondContact CZ-OD1 3.23Å; V294-N298 VanDerWaalsContact CG1-ND2 3.27Å; V294-N298 WeakPolarHBondContact CG1-ND2 3.29Å; V294-N298 VanDerWaalsContact O-CB 3.31Å; V294-N298 WeakPolarHBondContact O-CB 3.46Å; V294-N298 VanDerWaalsContact O-CG 3.24Å; V294-N298 PolarHBondContact O-N 3.19Å; V294-N298 PolarHBondContact O-ND2 3.39Å; C295-N298 PolarHBondContact O-N 3.31Å; L296-N298 VanDerWaalsContact C-N 3.35Å; L296-N298 PolarHBondContact O-N 3.3Å; N298-N300 PolarHBondContact O-N 3.07Å; N298-C301 PolarHBondContact O-SG 2.89Å |
| 299 | F | 94.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 27.4 Ų | 27.4 | 29% | 0.285 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.4 | 173.3 | -167.8 | -103 | 0 | 0 | 0 | 112.6 | V41 C295 L296 M297 C301 C302 M303 | V41-F299 HydrophobicContact CG2-CD2 4.02Å; C295-F299 PolarHBondContact O-N 2.7Å; C295-F299 VanDerWaalsContact O-N 3.08Å; L296-F299 WeakPolarHBondContact O-CB 3.28Å; L296-F299 PolarHBondContact O-N 2.96Å; L296-F299 VanDerWaalsContact O-N 3.16Å; M297-F299 PolarHBondContact O-N 2.94Å; F299-C301 VanDerWaalsContact C-N 3.25Å; F299-C301 PolarHBondContact O-N 3.3Å; F299-C302 HydrophobicContact CD2-CB 4.21Å; F299-C302 HydrophobicContact CE1-CB 4.5Å; F299-C302 HydrophobicContact CE2-CB 4.01Å; F299-C302 HydrophobicContact CZ-CB 4.16Å; F299-C302 WeakPolarHBondContact O-CB 3.21Å; F299-C302 PolarHBondContact O-N 2.94Å; F299-M303 HydrophobicContact CD1-CG 4.08Å; F299-M303 HydrophobicContact CD1-SD 4.46Å; F299-M303 HydrophobicContact CE1-CG 4.05Å; F299-M303 HydrophobicContact CE1-SD 3.86Å |
| 300 | N | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -52.6 | -41.3 | 178.1 | 84.6 | 85.4 | 0 | 0 | 0 | 112.6 | N114 V252 C256 F257 M297 N298 C302 M303 D304 | N114-N300 PolarHBondContact OD1-ND2 2.88Å; V252-N300 HydrophobicContact CG1-CB 4.02Å; C256-N300 HydrophobicContact CB-CB 3.97Å; F257-N300 HydrophobicContact CE1-CB 4.24Å; F257-N300 HydrophobicContact CE2-CB 4.14Å; F257-N300 HydrophobicContact CZ-CB 3.7Å; M297-N300 VanDerWaalsContact O-CB 3.23Å; M297-N300 WeakPolarHBondContact O-CB 3.48Å; M297-N300 PolarHBondContact O-N 3.4Å; M297-N300 VanDerWaalsContact O-N 3.11Å; M297-N300 PolarHBondContact O-ND2 3.23Å; N298-N300 PolarHBondContact O-N 3.07Å; N300-C302 PolarHBondContact O-N 3.42Å; N300-C302 VanDerWaalsContact O-N 3.07Å; N300-M303 WeakPolarHBondContact O-CA 3.27Å; N300-M303 WeakPolarHBondContact O-CB 3.49Å; N300-M303 PolarHBondContact O-N 2.9Å; N300-D304 PolarHBondContact O-N 3.39Å |
| 301 | C | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -21 | -177.3 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | V41 N49 D77 F80 N298 F299 P305 | V41-C301 VanDerWaalsContact CG1-SG 3.51Å; N49-C301 PolarHBondContact ND2-O 2.97Å; D77-C301 HydrophobicContact CB-CB 4.14Å; D77-C301 WeakPolarHBondContact OD1-CB 3.23Å; F80-C301 HydrophobicContact CD1-CB 4.13Å; F80-C301 HydrophobicContact CE1-CB 4.35Å; N298-C301 PolarHBondContact O-SG 2.89Å; F299-C301 VanDerWaalsContact C-N 3.25Å; F299-C301 PolarHBondContact O-N 3.3Å; C301-P305 WeakPolarHBondContact O-CD 3.38Å |
| 302 | C | 93.3 | Very high | 88 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -80.3 | -23.5 | 174.7 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | I44 F299 N300 F306 | I44-C302 HydrophobicContact CB-CB 4.48Å; I44-C302 HydrophobicContact CG2-CB 3.8Å; F299-C302 HydrophobicContact CD2-CB 4.21Å; F299-C302 HydrophobicContact CE1-CB 4.5Å; F299-C302 HydrophobicContact CE2-CB 4.01Å; F299-C302 HydrophobicContact CZ-CB 4.16Å; F299-C302 WeakPolarHBondContact O-CB 3.21Å; F299-C302 PolarHBondContact O-N 2.94Å; N300-C302 PolarHBondContact O-N 3.42Å; N300-C302 VanDerWaalsContact O-N 3.07Å; C302-F306 WeakPolarHBondContact O-CE2 3.25Å |
| 303 | M | 90.9 | Very high | 87 | Confident | 36 Ų | 36 | 28.7 Ų | 28.7 | 18% | 0.177 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -85.1 | -25.9 | 179.5 | -62.9 | -66.1 | -77.9 | 0 | 0 | 112.2 | V251 V252 F299 N300 F306 I307 | V251-M303 HydrophobicContact CG1-CE 4.11Å; V252-M303 HydrophobicContact CG2-CB 3.44Å; V252-M303 VanDerWaalsContact CG2-CB 3.44Å; V252-M303 HydrophobicContact CG2-CE 4.34Å; V252-M303 HydrophobicContact CG2-CG 4.05Å; F299-M303 HydrophobicContact CD1-CG 4.08Å; F299-M303 HydrophobicContact CD1-SD 4.46Å; F299-M303 HydrophobicContact CE1-CG 4.05Å; F299-M303 HydrophobicContact CE1-SD 3.86Å; N300-M303 WeakPolarHBondContact O-CA 3.27Å; N300-M303 WeakPolarHBondContact O-CB 3.49Å; N300-M303 PolarHBondContact O-N 2.9Å; M303-F306 VanDerWaalsContact O-CB 3.31Å; M303-F306 WeakPolarHBondContact O-CB 3.49Å; M303-F306 WeakPolarHBondContact O-CD2 3.28Å; M303-F306 PolarHBondContact O-N 3.47Å; M303-I307 PolarHBondContact O-N 2.88Å |
| 304 | D | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | -178.4 | -74.7 | 4 | 0 | 0 | 0 | 114.9 | L73 M122 N300 F306 I307 Y308 | L73-D304 WeakPolarHBondContact CD2-OD2 3.18Å; L73-D304 VanDerWaalsContact CG-OD2 3.29Å; L73-D304 WeakPolarHBondContact CG-OD2 3.39Å; M122-D304 WeakPolarHBondContact CE-OD1 3.48Å; N300-D304 PolarHBondContact O-N 3.39Å; D304-F306 PolarHBondContact O-N 3.48Å; D304-F306 VanDerWaalsContact O-N 3.12Å; D304-I307 WeakPolarHBondContact O-CA 3.28Å; D304-I307 WeakPolarHBondContact O-CB 3.2Å; D304-I307 PolarHBondContact O-N 3.48Å; D304-Y308 VanDerWaalsContact C-CE2 3.44Å; D304-Y308 HydrophobicContact CB-CE2 3.82Å; D304-Y308 WeakPolarHBondContact O-CD2 3.3Å; D304-Y308 WeakPolarHBondContact O-CE2 3.42Å; D304-Y308 VanDerWaalsContact O-CG 3.29Å; D304-Y308 PolarHBondContact O-N 2.89Å |
| 305 | P | 84.8 | Confident | 85.1 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -49.4 | -35.7 | 168.2 | -32 | 37.8 | 0 | 0 | 0 | 114.9 | C301 Y308 F309 Y315 | C301-P305 WeakPolarHBondContact O-CD 3.38Å; P305-Y308 PolarHBondContact O-N 2.86Å; P305-F309 PolarHBondContact O-N 3.29Å; P305-Y315 WeakPolarHBondContact O-CE1 3.32Å |
| 306 | F | 83.2 | Confident | 84.5 | Confident | 112 Ų | 112 | 34.2 Ų | 34.2 | 49% | 0.491 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -73 | -38.8 | 176.5 | -59.9 | -88.8 | 0 | 0 | 0 | 111.3 | L248 C302 M303 D304 Y308 F309 F310 | L248-F306 HydrophobicContact CD1-CB 3.98Å; L248-F306 HydrophobicContact CD2-CB 4.25Å; C302-F306 WeakPolarHBondContact O-CE2 3.25Å; M303-F306 VanDerWaalsContact O-CB 3.31Å; M303-F306 WeakPolarHBondContact O-CB 3.49Å; M303-F306 WeakPolarHBondContact O-CD2 3.28Å; M303-F306 PolarHBondContact O-N 3.47Å; D304-F306 PolarHBondContact O-N 3.48Å; D304-F306 VanDerWaalsContact O-N 3.12Å; F306-Y308 VanDerWaalsContact C-N 3.3Å; F306-Y308 PolarHBondContact O-N 3.03Å; F306-F309 WeakPolarHBondContact O-CB 3.37Å; F306-F309 PolarHBondContact O-N 3.14Å; F306-F310 VanDerWaalsContact O-CD2 3.23Å; F306-F310 WeakPolarHBondContact O-CD2 3.14Å; F306-F310 PolarHBondContact O-N 3.28Å |
| 307 | I | 82.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 172.5 | -57.9 | 176.8 | 0 | 0 | 0 | 109.4 | M122 T245 L248 I249 V252 M303 D304 F309 F310 A311 | M122-I307 HydrophobicContact CE-CD1 3.82Å; M122-I307 HydrophobicContact SD-CD1 4.18Å; T245-I307 HydrophobicContact CG2-CG2 4.23Å; L248-I307 HydrophobicContact CB-CG1 4.19Å; I249-I307 HydrophobicContact CD1-CG2 4.47Å; I249-I307 HydrophobicContact CG1-CD1 4.06Å; I249-I307 HydrophobicContact CG1-CG2 4.36Å; V252-I307 HydrophobicContact CG2-CD1 4.34Å; M303-I307 PolarHBondContact O-N 2.88Å; D304-I307 WeakPolarHBondContact O-CA 3.28Å; D304-I307 WeakPolarHBondContact O-CB 3.2Å; D304-I307 PolarHBondContact O-N 3.48Å; I307-F309 VanDerWaalsContact C-N 3.3Å; I307-F309 PolarHBondContact O-N 2.88Å; I307-F310 CarbonylContact O-C 3.12Å; I307-F310 PolarHBondContact O-N 3.33Å; I307-A311 WeakPolarHBondContact O-CB 3.38Å; I307-A311 PolarHBondContact O-N 2.88Å |
| 308 | Y | 79.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -33.8 | 178 | -51.2 | -40.5 | 0 | 0 | 0 | 113.1 | N49 A52 L73 V74 D77 D304 P305 F306 F310 A311 C312 | N49-Y308 WeakPolarHBondContact OD1-CE2 3.06Å; A52-Y308 HydrophobicContact CB-CD2 3.63Å; A52-Y308 HydrophobicContact CB-CE2 4.11Å; A52-Y308 HydrophobicContact CB-CG 4.41Å; L73-Y308 WeakPolarHBondContact CB-OH 3.49Å; L73-Y308 HydrophobicContact CD2-CE1 4Å; L73-Y308 WeakPolarHBondContact CD2-OH 3.45Å; L73-Y308 WeakPolarHBondContact CG-OH 3.47Å; V74-Y308 HydrophobicContact CG2-CD2 4.1Å; V74-Y308 HydrophobicContact CG2-CE1 4.14Å; V74-Y308 HydrophobicContact CG2-CE2 3.41Å; V74-Y308 VanDerWaalsContact CG2-CE2 3.41Å; V74-Y308 VanDerWaalsContact CG2-CZ 3.42Å; V74-Y308 WeakPolarHBondContact CG2-OH 3.35Å; V74-Y308 PolarHBondContact N-OH 2.85Å; D77-Y308 PolarHBondContact OD2-OH 3.11Å; D304-Y308 VanDerWaalsContact C-CE2 3.44Å; D304-Y308 HydrophobicContact CB-CE2 3.82Å; D304-Y308 WeakPolarHBondContact O-CD2 3.3Å; D304-Y308 WeakPolarHBondContact O-CE2 3.42Å; D304-Y308 VanDerWaalsContact O-CG 3.29Å; D304-Y308 PolarHBondContact O-N 2.89Å; P305-Y308 PolarHBondContact O-N 2.86Å; F306-Y308 VanDerWaalsContact C-N 3.3Å; F306-Y308 PolarHBondContact O-N 3.03Å; Y308-F310 VanDerWaalsContact C-N 3.25Å; Y308-F310 PolarHBondContact O-N 2.84Å; Y308-A311 PolarHBondContact O-N 3.08Å; Y308-C312 WeakPolarHBondContact O-CB 3.44Å; Y308-C312 PolarHBondContact O-N 3.48Å |
| 309 | F | 79.1 | Confident | 82.4 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.1 | -38.7 | 174.8 | -173.4 | -86.9 | 0 | 0 | 0 | 112.9 | P305 F306 I307 Y315 K316 V319 | P305-F309 PolarHBondContact O-N 3.29Å; F306-F309 WeakPolarHBondContact O-CB 3.37Å; F306-F309 PolarHBondContact O-N 3.14Å; I307-F309 VanDerWaalsContact C-N 3.3Å; I307-F309 PolarHBondContact O-N 2.88Å; F309-Y315 HydrophobicContact CB-CD1 3.98Å; F309-Y315 HydrophobicContact CB-CE1 4.09Å; F309-Y315 HydrophobicContact CD2-CD1 4.21Å; F309-Y315 HydrophobicContact CD2-CE1 4.41Å; F309-K316 HydrophobicContact CD1-CB 4.49Å; F309-K316 HydrophobicContact CD1-CD 4.48Å; F309-K316 HydrophobicContact CD2-CB 4.01Å; F309-K316 HydrophobicContact CD2-CG 4.37Å; F309-K316 HydrophobicContact CE1-CB 4.31Å; F309-K316 HydrophobicContact CE1-CD 3.7Å; F309-K316 HydrophobicContact CE1-CG 3.96Å; F309-K316 HydrophobicContact CE2-CB 3.8Å; F309-K316 HydrophobicContact CE2-CD 4.34Å; F309-K316 HydrophobicContact CE2-CG 3.66Å; F309-K316 HydrophobicContact CG-CB 4.37Å; F309-K316 HydrophobicContact CZ-CB 3.97Å; F309-K316 HydrophobicContact CZ-CD 3.63Å; F309-K316 HydrophobicContact CZ-CG 3.44Å; F309-K316 VanDerWaalsContact CZ-CG 3.44Å; F309-V319 HydrophobicContact CE2-CB 4.48Å; F309-V319 HydrophobicContact CE2-CG1 4.45Å |
| 310 | F | 75.4 | Confident | 81.8 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 21% | 0.211 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -97.7 | -8.2 | 176.3 | -59.3 | -76.8 | 0 | 0 | 0 | 114.2 | K241 N244 T245 L248 F306 I307 Y308 | K241-F310 WeakPolarHBondContact CD-O 3.43Å; K241-F310 WeakPolarHBondContact CE-O 3.33Å; K241-F310 WeakPolarHBondContact CG-O 3.3Å; N244-F310 HydrophobicContact CB-CB 4.38Å; N244-F310 HydrophobicContact CB-CD1 3.72Å; N244-F310 HydrophobicContact CB-CD2 4.31Å; N244-F310 HydrophobicContact CB-CE1 4.01Å; N244-F310 HydrophobicContact CB-CG 3.88Å; N244-F310 HydrophobicContact CB-CZ 4.41Å; N244-F310 VanDerWaalsContact ND2-CE1 3.25Å; N244-F310 WeakPolarHBondContact ND2-CE1 3.45Å; T245-F310 WeakPolarHBondContact OG1-CB 3.19Å; T245-F310 PolarHBondContact OG1-O 3.17Å; T245-F310 VanDerWaalsContact OG1-O 3.12Å; L248-F310 HydrophobicContact CD1-CD2 3.32Å; L248-F310 HydrophobicContact CD1-CE2 3.66Å; L248-F310 HydrophobicContact CD1-CG 4.42Å; F306-F310 VanDerWaalsContact O-CD2 3.23Å; F306-F310 WeakPolarHBondContact O-CD2 3.14Å; F306-F310 PolarHBondContact O-N 3.28Å; I307-F310 CarbonylContact O-C 3.12Å; I307-F310 PolarHBondContact O-N 3.33Å; Y308-F310 VanDerWaalsContact C-N 3.25Å; Y308-F310 PolarHBondContact O-N 2.84Å |
| 311 | A | 71.6 | Confident | 81.4 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 5% | 0.05 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -98.7 | -49.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T66 K241 T245 I307 Y308 | T66-A311 HydrophobicContact CG2-CB 4.03Å; K241-A311 PolarHBondContact NZ-O 3.18Å; T245-A311 HydrophobicContact CG2-CB 4.43Å; I307-A311 WeakPolarHBondContact O-CB 3.38Å; I307-A311 PolarHBondContact O-N 2.88Å; Y308-A311 PolarHBondContact O-N 3.08Å |
| 312 | C | 74.2 | Confident | 80.8 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -83.1 | 146.5 | -169.9 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | K241 Y308 | K241-C312 PolarHBondContact NZ-O 2.94Å; K241-C312 VanDerWaalsContact NZ-O 3.14Å; Y308-C312 WeakPolarHBondContact O-CB 3.44Å; Y308-C312 PolarHBondContact O-N 3.48Å |
| 313 | K | 72.4 | Confident | 80.3 | Confident | 170 Ų | 170 | 60 Ų | 60 | 74% | 0.739 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -83.2 | 134.3 | 171.6 | -71.2 | -173.6 | -180 | -177 | 0 | 108.9 | Y315 | K313-Y315 VanDerWaalsContact C-N 3.33Å; K313-Y315 PolarHBondContact O-N 3.26Å |
| 314 | G | 73.3 | Confident | 79.8 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 32% | 0.32 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 90.2 | -25.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R317 K318 | G314-R317 PolarHBondContact O-N 3.29Å; G314-R317 VanDerWaalsContact O-N 3.13Å; G314-K318 PolarHBondContact O-N 2.85Å |
| 315 | Y | 77.7 | Confident | 79.1 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 4% | 0.039 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.2 | -53.8 | 177.4 | -171.8 | -92 | 0 | 0 | 0 | 112.3 | L51 A52 V55 P305 F309 K313 R317 K318 V319 | L51-Y315 HydrophobicContact CG-CE2 4.26Å; A52-Y315 VanDerWaalsContact CA-CE2 3.41Å; A52-Y315 HydrophobicContact CB-CD2 4.33Å; A52-Y315 HydrophobicContact CB-CE2 3.67Å; V55-Y315 HydrophobicContact CB-CD2 3.94Å; V55-Y315 HydrophobicContact CG1-CD2 4.06Å; V55-Y315 HydrophobicContact CG2-CD2 3.92Å; V55-Y315 HydrophobicContact CG2-CE2 4.48Å; P305-Y315 WeakPolarHBondContact O-CE1 3.32Å; F309-Y315 HydrophobicContact CB-CD1 3.98Å; F309-Y315 HydrophobicContact CB-CE1 4.09Å; F309-Y315 HydrophobicContact CD2-CD1 4.21Å; F309-Y315 HydrophobicContact CD2-CE1 4.41Å; K313-Y315 VanDerWaalsContact C-N 3.33Å; K313-Y315 PolarHBondContact O-N 3.26Å; Y315-R317 PolarHBondContact O-N 3.18Å; Y315-R317 VanDerWaalsContact O-N 3.16Å; Y315-K318 PolarHBondContact O-N 3.44Å; Y315-V319 HydrophobicContact CD1-CG2 3.74Å; Y315-V319 HydrophobicContact CE1-CG2 3.48Å; Y315-V319 VanDerWaalsContact CE1-CG2 3.48Å; Y315-V319 HydrophobicContact CE2-CG2 4.24Å; Y315-V319 HydrophobicContact CG-CG2 4.33Å; Y315-V319 WeakPolarHBondContact O-CG2 3.39Å; Y315-V319 PolarHBondContact O-N 2.87Å |
| 316 | K | 80.8 | Confident | 78.5 | Confident | 116 Ų | 116 | 77.5 Ų | 77.5 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -48.5 | -45.2 | 172.2 | 173 | 167.8 | -172.8 | 179.1 | 0 | 112.7 | F309 K318 M320 | F309-K316 HydrophobicContact CD1-CB 4.49Å; F309-K316 HydrophobicContact CD1-CD 4.48Å; F309-K316 HydrophobicContact CD2-CB 4.01Å; F309-K316 HydrophobicContact CD2-CG 4.37Å; F309-K316 HydrophobicContact CE1-CB 4.31Å; F309-K316 HydrophobicContact CE1-CD 3.7Å; F309-K316 HydrophobicContact CE1-CG 3.96Å; F309-K316 HydrophobicContact CE2-CB 3.8Å; F309-K316 HydrophobicContact CE2-CD 4.34Å; F309-K316 HydrophobicContact CE2-CG 3.66Å; F309-K316 HydrophobicContact CG-CB 4.37Å; F309-K316 HydrophobicContact CZ-CB 3.97Å; F309-K316 HydrophobicContact CZ-CD 3.63Å; F309-K316 HydrophobicContact CZ-CG 3.44Å; F309-K316 VanDerWaalsContact CZ-CG 3.44Å; K316-K318 PolarHBondContact O-N 3.4Å; K316-M320 HydrophobicContact CG-CG 4.26Å; K316-M320 VanDerWaalsContact O-CB 3.31Å; K316-M320 WeakPolarHBondContact O-CB 3.19Å; K316-M320 WeakPolarHBondContact O-CG 3.21Å; K316-M320 PolarHBondContact O-N 3.36Å |
| 317 | R | 81.1 | Confident | 78 | Confident | 179 Ų | 179 | 76.2 Ų | 76.2 | 68% | 0.675 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.1 | -32.3 | -178.5 | -165.4 | -174.3 | -66.2 | 161.6 | -2.1 | 112.4 | G314 Y315 R321 | G314-R317 PolarHBondContact O-N 3.29Å; G314-R317 VanDerWaalsContact O-N 3.13Å; Y315-R317 PolarHBondContact O-N 3.18Å; Y315-R317 VanDerWaalsContact O-N 3.16Å; R317-R321 WeakPolarHBondContact O-CB 3.48Å; R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 3.39Å; R317-R321 PolarHBondContact O-NE 3.49Å |
| 318 | K | 81 | Confident | 77.5 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 27% | 0.27 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.2 | -49.4 | 176.2 | -172.6 | 76.5 | 175.4 | -168 | 0 | 110.4 | V55 G314 Y315 K316 M320 R321 M322 | V55-K318 HydrophobicContact CG2-CB 3.8Å; V55-K318 HydrophobicContact CG2-CG 3.74Å; G314-K318 PolarHBondContact O-N 2.85Å; Y315-K318 PolarHBondContact O-N 3.44Å; K316-K318 PolarHBondContact O-N 3.4Å; K318-M320 PolarHBondContact O-N 3Å; K318-R321 PolarHBondContact O-N 2.99Å; K318-R321 VanDerWaalsContact O-N 3.15Å; K318-M322 HydrophobicContact CG-SD 4.38Å; K318-M322 WeakPolarHBondContact O-CG 3.33Å; K318-M322 PolarHBondContact O-N 2.85Å |
| 319 | V | 80.9 | Confident | 77 | Confident | 25 Ų | 25 | 83.5 Ų | 83.5 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.3 | -50.2 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | L51 F309 Y315 R321 M322 L323 | L51-V319 HydrophobicContact CD2-CG2 3.99Å; F309-V319 HydrophobicContact CE2-CB 4.48Å; F309-V319 HydrophobicContact CE2-CG1 4.45Å; Y315-V319 HydrophobicContact CD1-CG2 3.74Å; Y315-V319 HydrophobicContact CE1-CG2 3.48Å; Y315-V319 VanDerWaalsContact CE1-CG2 3.48Å; Y315-V319 HydrophobicContact CE2-CG2 4.24Å; Y315-V319 HydrophobicContact CG-CG2 4.33Å; Y315-V319 WeakPolarHBondContact O-CG2 3.39Å; Y315-V319 PolarHBondContact O-N 2.87Å; V319-R321 VanDerWaalsContact C-N 3.27Å; V319-R321 PolarHBondContact O-N 2.72Å; V319-M322 PolarHBondContact O-N 2.73Å; V319-M322 VanDerWaalsContact O-N 3.08Å; V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.3Å; V319-L323 WeakPolarHBondContact O-CG 3.41Å; V319-L323 PolarHBondContact O-N 3.17Å |
| 320 | M | 82.3 | Confident | 76.5 | Confident | 81 Ų | 81 | 85 Ų | 85 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.1 | -32.4 | 178.3 | -67.9 | -59.9 | -64.6 | 0 | 0 | 113.1 | K316 K318 L323 K324 | K316-M320 HydrophobicContact CG-CG 4.26Å; K316-M320 VanDerWaalsContact O-CB 3.31Å; K316-M320 WeakPolarHBondContact O-CB 3.19Å; K316-M320 WeakPolarHBondContact O-CG 3.21Å; K316-M320 PolarHBondContact O-N 3.36Å; K318-M320 PolarHBondContact O-N 3Å; M320-L323 HydrophobicContact SD-CD1 4.25Å; M320-K324 WeakPolarHBondContact O-CB 3.38Å; M320-K324 VanDerWaalsContact O-CG 3.26Å; M320-K324 WeakPolarHBondContact O-CG 3.49Å; M320-K324 PolarHBondContact O-N 2.86Å |
| 321 | R | 84.4 | Confident | 76 | Confident | 145 Ų | 145 | 87.5 Ų | 87.5 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 174.1 | -85.3 | -178.4 | -77.3 | 169.2 | -6.6 | 112 | R317 K318 V319 R325 | R317-R321 WeakPolarHBondContact O-CB 3.48Å; R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 3.39Å; R317-R321 PolarHBondContact O-NE 3.49Å; K318-R321 PolarHBondContact O-N 2.99Å; K318-R321 VanDerWaalsContact O-N 3.15Å; V319-R321 VanDerWaalsContact C-N 3.27Å; V319-R321 PolarHBondContact O-N 2.72Å; R321-R325 WeakPolarHBondContact O-CB 2.97Å; R321-R325 PolarHBondContact O-N 2.03Å |
| 322 | M | 81.4 | Confident | 75.7 | Confident | 79 Ų | 79 | 90.2 Ų | 90.2 | 39% | 0.389 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 175.4 | -69.2 | 177.4 | 69.5 | 0 | 0 | 111 | L51 K318 V319 K324 R325 Q326 | L51-M322 HydrophobicContact CD1-CE 4.33Å; L51-M322 HydrophobicContact CD1-SD 3.62Å; L51-M322 HydrophobicContact CD2-SD 4.21Å; K318-M322 HydrophobicContact CG-SD 4.38Å; K318-M322 WeakPolarHBondContact O-CG 3.33Å; K318-M322 PolarHBondContact O-N 2.85Å; V319-M322 PolarHBondContact O-N 2.73Å; V319-M322 VanDerWaalsContact O-N 3.08Å; M322-K324 PolarHBondContact O-N 3.24Å; M322-R325 PolarHBondContact O-N 3.16Å; M322-R325 VanDerWaalsContact O-N 3.16Å; M322-Q326 WeakPolarHBondContact O-CG 3.39Å; M322-Q326 PolarHBondContact O-N 3.19Å |
| 323 | L | 80.8 | Confident | 75.1 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 176 | -69.5 | 174.2 | 0 | 0 | 0 | 111.7 | V319 M320 R325 Q326 V327 | V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.3Å; V319-L323 WeakPolarHBondContact O-CG 3.41Å; V319-L323 PolarHBondContact O-N 3.17Å; M320-L323 HydrophobicContact SD-CD1 4.25Å; L323-R325 VanDerWaalsContact C-N 3.34Å; L323-R325 PolarHBondContact O-N 3.25Å; L323-Q326 PolarHBondContact O-N 2.99Å; L323-V327 WeakPolarHBondContact O-CG2 3.36Å; L323-V327 PolarHBondContact O-N 3.36Å |
| 324 | K | 80.4 | Confident | 74.6 | Confident | 142 Ų | 142 | 87.9 Ų | 87.9 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.7 | -43.6 | 174.5 | -77 | -176.1 | 178.4 | -160.9 | 0 | 112.1 | M320 M322 Q326 V327 S328 | M320-K324 WeakPolarHBondContact O-CB 3.38Å; M320-K324 VanDerWaalsContact O-CG 3.26Å; M320-K324 WeakPolarHBondContact O-CG 3.49Å; M320-K324 PolarHBondContact O-N 2.86Å; M322-K324 PolarHBondContact O-N 3.24Å; K324-Q326 PolarHBondContact O-N 3.35Å; K324-V327 PolarHBondContact O-N 3.03Å; K324-S328 WeakPolarHBondContact O-CB 3.44Å; K324-S328 PolarHBondContact O-N 3.29Å; K324-S328 PolarHBondContact O-OG 2.97Å |
| 325 | R | 74.6 | Confident | 74.1 | Confident | 172 Ų | 172 | 91.3 Ų | 91.3 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 177.2 | -163.9 | 177.9 | 85.2 | 177.6 | 7.8 | 112 | R321 M322 L323 S328 V329 | R321-R325 WeakPolarHBondContact O-CB 2.97Å; R321-R325 PolarHBondContact O-N 2.03Å; M322-R325 PolarHBondContact O-N 3.16Å; M322-R325 VanDerWaalsContact O-N 3.16Å; L323-R325 VanDerWaalsContact C-N 3.34Å; L323-R325 PolarHBondContact O-N 3.25Å; R325-S328 PolarHBondContact O-N 3.49Å; R325-V329 WeakPolarHBondContact O-CB 3.37Å; R325-V329 VanDerWaalsContact O-CG2 3.24Å; R325-V329 WeakPolarHBondContact O-CG2 3.43Å; R325-V329 PolarHBondContact O-N 3.4Å |
| 326 | Q | 72.8 | Confident | 73.2 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.7 | -67.7 | -65.2 | -7.9 | 0 | 0 | 111.9 | M322 L323 K324 V329 S330 | M322-Q326 WeakPolarHBondContact O-CG 3.39Å; M322-Q326 PolarHBondContact O-N 3.19Å; L323-Q326 PolarHBondContact O-N 2.99Å; K324-Q326 PolarHBondContact O-N 3.35Å; Q326-V329 PolarHBondContact O-N 3.46Å; Q326-S330 WeakPolarHBondContact O-CB 3.43Å; Q326-S330 PolarHBondContact O-N 3.05Å; Q326-S330 PolarHBondContact O-OG 2.8Å |
| 327 | V | 73 | Confident | 72 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | L323 K324 V329 S330 I331 | L323-V327 WeakPolarHBondContact O-CG2 3.36Å; L323-V327 PolarHBondContact O-N 3.36Å; K324-V327 PolarHBondContact O-N 3.03Å; V327-V329 PolarHBondContact O-N 3.43Å; V327-S330 PolarHBondContact O-N 2.92Å; V327-I331 HydrophobicContact CG1-CD1 3.64Å; V327-I331 HydrophobicContact CG1-CG1 4.33Å; V327-I331 WeakPolarHBondContact O-CB 3.46Å; V327-I331 VanDerWaalsContact O-CG1 3.25Å; V327-I331 WeakPolarHBondContact O-CG1 3.47Å; V327-I331 PolarHBondContact O-N 3.2Å |
| 328 | S | 70.3 | Confident | 70.2 | Confident | 76 Ų | 76 | 92.7 Ų | 92.7 | 53% | 0.531 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.8 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | K324 R325 S332 | K324-S328 WeakPolarHBondContact O-CB 3.44Å; K324-S328 PolarHBondContact O-N 3.29Å; K324-S328 PolarHBondContact O-OG 2.97Å; R325-S328 PolarHBondContact O-N 3.49Å; S328-S332 WeakPolarHBondContact O-CB 3.26Å; S328-S332 PolarHBondContact O-N 3.28Å |
| 329 | V | 69 | Low | 68.4 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 47% | 0.473 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 175 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | R325 Q326 V327 I331 S332 S333 | R325-V329 WeakPolarHBondContact O-CB 3.37Å; R325-V329 VanDerWaalsContact O-CG2 3.24Å; R325-V329 WeakPolarHBondContact O-CG2 3.43Å; R325-V329 PolarHBondContact O-N 3.4Å; Q326-V329 PolarHBondContact O-N 3.46Å; V327-V329 PolarHBondContact O-N 3.43Å; V329-I331 PolarHBondContact O-N 3.11Å; V329-S332 PolarHBondContact O-N 3.01Å; V329-S333 PolarHBondContact O-N 2.94Å; V329-S333 PolarHBondContact O-OG 3.1Å |
| 330 | S | 68.1 | Low | 66.9 | Low | 74 Ų | 74 | 101.4 Ų | 101.4 | 52% | 0.517 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -40.4 | 179 | -56.2 | 0 | 0 | 0 | 0 | 112 | Q326 V327 S333 A334 | Q326-S330 WeakPolarHBondContact O-CB 3.43Å; Q326-S330 PolarHBondContact O-N 3.05Å; Q326-S330 PolarHBondContact O-OG 2.8Å; V327-S330 PolarHBondContact O-N 2.92Å; S330-S333 PolarHBondContact O-N 2.89Å; S330-A334 WeakPolarHBondContact O-CB 3.19Å; S330-A334 PolarHBondContact O-N 3.38Å |
| 331 | I | 65.4 | Low | 65.1 | Low | 101 Ų | 101 | 104.8 Ų | 104.8 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -43.8 | 173.9 | -67.9 | 168 | 0 | 0 | 0 | 110.3 | V327 V329 S333 A334 V335 | V327-I331 HydrophobicContact CG1-CD1 3.64Å; V327-I331 HydrophobicContact CG1-CG1 4.33Å; V327-I331 WeakPolarHBondContact O-CB 3.46Å; V327-I331 VanDerWaalsContact O-CG1 3.25Å; V327-I331 WeakPolarHBondContact O-CG1 3.47Å; V327-I331 PolarHBondContact O-N 3.2Å; V329-I331 PolarHBondContact O-N 3.11Å; I331-S333 VanDerWaalsContact C-N 3.32Å; I331-S333 PolarHBondContact O-N 3.29Å; I331-A334 PolarHBondContact O-N 3.23Å; I331-V335 HydrophobicContact CG2-CG2 4.27Å; I331-V335 WeakPolarHBondContact O-CB 3.26Å; I331-V335 VanDerWaalsContact O-CG2 3.25Å; I331-V335 WeakPolarHBondContact O-CG2 3.35Å; I331-V335 PolarHBondContact O-N 3.32Å |
| 332 | S | 65.8 | Low | 63.3 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -36.7 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | S328 V329 K336 | S328-S332 WeakPolarHBondContact O-CB 3.26Å; S328-S332 PolarHBondContact O-N 3.28Å; V329-S332 PolarHBondContact O-N 3.01Å; S332-K336 WeakPolarHBondContact O-CG 3.09Å; S332-K336 PolarHBondContact O-N 3.18Å |
| 333 | S | 61.9 | Low | 61.6 | Low | 70 Ų | 70 | 104.3 Ų | 104.3 | 49% | 0.49 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70 | -40.8 | 173.5 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | V329 S330 I331 K336 S337 | V329-S333 PolarHBondContact O-N 2.94Å; V329-S333 PolarHBondContact O-OG 3.1Å; S330-S333 PolarHBondContact O-N 2.89Å; I331-S333 VanDerWaalsContact C-N 3.32Å; I331-S333 PolarHBondContact O-N 3.29Å; S333-K336 PolarHBondContact O-N 3.35Å; S333-S337 PolarHBondContact O-N 3.46Å; S333-S337 VanDerWaalsContact O-N 3.11Å; S333-S337 PolarHBondContact O-OG 2.99Å |
| 334 | A | 61.5 | Low | 60 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.4 | -35.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S330 I331 K336 S337 A338 | S330-A334 WeakPolarHBondContact O-CB 3.19Å; S330-A334 PolarHBondContact O-N 3.38Å; I331-A334 PolarHBondContact O-N 3.23Å; A334-K336 VanDerWaalsContact C-N 3.33Å; A334-S337 WeakPolarHBondContact CA-OG 3.35Å; A334-S337 PolarHBondContact O-N 2.94Å; A334-S337 PolarHBondContact O-OG 2.84Å; A334-A338 PolarHBondContact O-N 3.32Å |
| 335 | V | 63.2 | Low | 58.3 | Low | 104 Ų | 104 | 108.8 Ų | 108.8 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.8 | -33 | 173.9 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | I331 | I331-V335 HydrophobicContact CG2-CG2 4.27Å; I331-V335 WeakPolarHBondContact O-CB 3.26Å; I331-V335 VanDerWaalsContact O-CG2 3.25Å; I331-V335 WeakPolarHBondContact O-CG2 3.35Å; I331-V335 PolarHBondContact O-N 3.32Å |
| 336 | K | 58 | Low | 56.9 | Low | 179 Ų | 179 | 107.1 Ų | 107.1 | 78% | 0.778 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.5 | -20.6 | 175.8 | -76.3 | -177.1 | 178.7 | -174.1 | 0 | 114.2 | S332 S333 A334 | S332-K336 WeakPolarHBondContact O-CG 3.09Å; S332-K336 PolarHBondContact O-N 3.18Å; S333-K336 PolarHBondContact O-N 3.35Å; A334-K336 VanDerWaalsContact C-N 3.33Å |
| 337 | S | 55.1 | Low | 55.7 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -98.5 | -0.8 | 178.5 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | S333 A334 | S333-S337 PolarHBondContact O-N 3.46Å; S333-S337 VanDerWaalsContact O-N 3.11Å; S333-S337 PolarHBondContact O-OG 2.99Å; A334-S337 WeakPolarHBondContact CA-OG 3.35Å; A334-S337 PolarHBondContact O-N 2.94Å; A334-S337 PolarHBondContact O-OG 2.84Å |
| 338 | A | 43.3 | Very low | 54.6 | Low | 61 Ų | 61 | 107.9 Ų | 107.9 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -71 | 133.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | A334 E340 | A334-A338 PolarHBondContact O-N 3.32Å; A338-E340 PolarHBondContact O-N 3.09Å |
| 339 | P | 43.9 | Very low | 53.5 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 69% | 0.688 | 60% | 0.598 | S | S | * | * | trans | -62.1 | 133.7 | 177.6 | -6.2 | 17.5 | 0 | 0 | 0 | 109.6 | E341 | P339-E341 HydrophobicContact CB-CB 4.46Å; P339-E341 PolarHBondContact O-N 3.04Å | ||
| 340 | E | 49.3 | Very low | 52.6 | Low | 164 Ų | 164 | 111.1 Ų | 111.1 | 77% | 0.766 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -68 | 40.8 | 173.7 | -110.3 | -176.4 | 170.4 | 0 | 0 | 112.4 | A338 | A338-E340 PolarHBondContact O-N 3.09Š|
| 341 | E | 45.4 | Very low | 51.8 | Low | 151 Ų | 151 | 114.2 Ų | 114.2 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -82.8 | -21.5 | -170.8 | -139.6 | 164.8 | -167.3 | 0 | 0 | 113 | P339 | P339-E341 HydrophobicContact CB-CB 4.46Å; P339-E341 PolarHBondContact O-N 3.04Å |
| 342 | N | 45.9 | Very low | 51.2 | Low | 135 Ų | 135 | 115.8 Ų | 115.8 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -91.2 | -2.4 | -177.7 | -89 | 7 | 0 | 0 | 0 | 115.8 | ||
| 343 | S | 45.6 | Very low | 50.6 | Low | 80 Ų | 80 | 118.3 Ų | 118.3 | 56% | 0.559 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -17.3 | -179.2 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | T347 | S343-T347 PolarHBondContact O-OG1 3.06Š|
| 344 | R | 46.6 | Very low | 50 | Low | 198 Ų | 198 | 122.4 Ų | 122.4 | 75% | 0.747 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -32.9 | -178.2 | -72.4 | -176.4 | 175.9 | 174.8 | 0.2 | 113.9 | M346 T347 E348 | R344-M346 VanDerWaalsContact C-N 3.33Å; R344-M346 PolarHBondContact O-N 3.27Å; R344-T347 PolarHBondContact O-N 2.64Å; R344-E348 PolarHBondContact O-N 3.16Å |
| 345 | E | 45.2 | Very low | 49.4 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.6 | -30.6 | 177.2 | -91.1 | -171.1 | 151.3 | 0 | 0 | 113.3 | T349 | E345-T349 WeakPolarHBondContact O-CB 3.01Å; E345-T349 PolarHBondContact O-N 3.17Å; E345-T349 VanDerWaalsContact O-N 3.09Å; E345-T349 PolarHBondContact O-OG1 3.23Å |
| 346 | M | 44.7 | Very low | 48.9 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.1 | -28.2 | 178.5 | -163.1 | 152.7 | 65.9 | 0 | 0 | 112.3 | R344 Q350 | R344-M346 VanDerWaalsContact C-N 3.33Å; R344-M346 PolarHBondContact O-N 3.27Å; M346-Q350 PolarHBondContact O-N 3.1Å |
| 347 | T | 47.8 | Very low | 48.5 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 45% | 0.454 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -79.6 | -37.8 | 176.7 | -36 | 0 | 0 | 0 | 0 | 112 | S343 R344 Q350 M351 | S343-T347 PolarHBondContact O-OG1 3.06Å; R344-T347 PolarHBondContact O-N 2.64Å; T347-Q350 PolarHBondContact O-N 3.04Å; T347-M351 WeakPolarHBondContact O-CG 3.36Å; T347-M351 PolarHBondContact O-N 2.95Å |
| 348 | E | 49.4 | Very low | 48.3 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 60% | 0.603 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.3 | -37.7 | 175.6 | -78.5 | -173.2 | 158.1 | 0 | 0 | 112.6 | R344 Q350 M351 M352 | R344-E348 PolarHBondContact O-N 3.16Å; E348-Q350 PolarHBondContact O-N 2.89Å; E348-M351 PolarHBondContact O-N 3.08Å; E348-M352 PolarHBondContact O-N 3.3Å |
| 349 | T | 48.8 | Very low | 48.6 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 52% | 0.515 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.3 | -37.9 | 175.9 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | E345 I353 | E345-T349 WeakPolarHBondContact O-CB 3.01Å; E345-T349 PolarHBondContact O-N 3.17Å; E345-T349 VanDerWaalsContact O-N 3.09Å; E345-T349 PolarHBondContact O-OG1 3.23Å; T349-I353 HydrophobicContact CG2-CD1 4.07Å; T349-I353 WeakPolarHBondContact O-CD1 3.44Å; T349-I353 WeakPolarHBondContact O-CG1 3.24Å; T349-I353 PolarHBondContact O-N 3.01Å |
| 350 | Q | 49.7 | Very low | 48.9 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 64% | 0.64 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.9 | -36.2 | 173.6 | -96.7 | 177.1 | -24.1 | 0 | 0 | 113.1 | M346 T347 E348 H354 | M346-Q350 PolarHBondContact O-N 3.1Å; T347-Q350 PolarHBondContact O-N 3.04Å; E348-Q350 PolarHBondContact O-N 2.89Å; Q350-H354 PolarHBondContact O-N 3.45Å |
| 351 | M | 52 | Low | 48.4 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.8 | -35.5 | 176.3 | -79.5 | -174.8 | 166.1 | 0 | 0 | 113.1 | T347 E348 H354 S355 | T347-M351 WeakPolarHBondContact O-CG 3.36Å; T347-M351 PolarHBondContact O-N 2.95Å; E348-M351 PolarHBondContact O-N 3.08Å; M351-H354 PolarHBondContact O-N 3.14Å; M351-S355 PolarHBondContact O-N 3.09Å |
| 352 | M | 51.8 | Low | 48.5 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 67% | 0.665 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.4 | -31.5 | 174.9 | -74.1 | -153.2 | -148.9 | 0 | 0 | 113.5 | E348 S355 K356 | E348-M352 PolarHBondContact O-N 3.3Å; M352-S355 PolarHBondContact O-OG 3.21Å; M352-K356 PolarHBondContact O-N 3.49Å |
| 353 | I | 52.9 | Low | 48.7 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 60% | 0.6 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.1 | -36.2 | 175.6 | -66.7 | 166 | 0 | 0 | 0 | 110.4 | T349 | T349-I353 HydrophobicContact CG2-CD1 4.07Å; T349-I353 WeakPolarHBondContact O-CD1 3.44Å; T349-I353 WeakPolarHBondContact O-CG1 3.24Å; T349-I353 PolarHBondContact O-N 3.01Å |
| 354 | H | 50.4 | Low | 48.8 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.9 | -27.9 | -180 | -132.1 | -72.3 | 0 | 0 | 0 | 113.7 | Q350 M351 | Q350-H354 PolarHBondContact O-N 3.45Å; M351-H354 PolarHBondContact O-N 3.14Å |
| 355 | S | 49.3 | Very low | 49 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -78.1 | -31.3 | 177.6 | 78.7 | 0 | 0 | 0 | 0 | 113.5 | M351 M352 S357 S358 | M351-S355 PolarHBondContact O-N 3.09Å; M352-S355 PolarHBondContact O-OG 3.21Å; S355-S357 VanDerWaalsContact C-N 3.31Å; S355-S357 PolarHBondContact O-N 3.48Å; S355-S358 PolarHBondContact O-N 3.45Å |
| 356 | K | 51.6 | Low | 49.2 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.5 | -20.1 | 175.4 | -81 | -175.7 | 175.8 | 178.5 | 0 | 114.1 | M352 | M352-K356 PolarHBondContact O-N 3.49Å |
| 357 | S | 50 | Low | 49.5 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -20.6 | 176.4 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | S355 | S355-S357 VanDerWaalsContact C-N 3.31Å; S355-S357 PolarHBondContact O-N 3.48Å |
| 358 | S | 50.5 | Low | 49.6 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -93.9 | -6.2 | -172.9 | -165 | 0 | 0 | 0 | 0 | 115.5 | S355 | S355-S358 PolarHBondContact O-N 3.45Š|
| 359 | N | 50.2 | Low | 49.7 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -115.3 | 19.5 | -175.9 | -106.4 | 15.9 | 0 | 0 | 0 | 114.2 | ||
| 360 | G | 49.9 | Very low | 49.7 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -114.4 | 60.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 361 | K | 38.6 | Very low | 49.7 | Very low | 281 Ų | 281 | 137.9 Ų | 137.9 | 100% | 1.222 | 75% | 0.745 | S | S | * | * | trans | -144.7 | 0 | 158.5 | -88 | -167.5 | 178.6 | 178.4 | 0 | 110.1 |
Retrieved 361 of 361 residues in 160.7 ms
(Link to these results)