| 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 | 44 | Very low | 249 Ų | 249 | 138.6 Ų | 138.6 | 100% | 1.227 | 77% | 0.771 | S | S | * | * | 0 | 116.1 | 0 | -142.6 | 169.8 | -156.8 | 0 | 0 | 106.6 | |||||
| 2 | A | 35.5 | Very low | 45 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | trans | -62.1 | 137 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N4 | A2-N4 PolarHBondContact O-N 3.14Å; A2-N4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | L | 39.5 | Very low | 46.3 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 86% | 0.859 | 71% | 0.713 | S | S | * | * | trans | -65.3 | 102.5 | 161.4 | -96.3 | 138.1 | 0 | 0 | 0 | 107.7 | H5 | L3-H5 VanDerWaalsContact C-N 3.31Å; L3-H5 PolarHBondContact O-N 2.83Å | ||
| 4 | N | 36.4 | Very low | 48.1 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | trans | -65 | 93.4 | 167.5 | -97 | -7.4 | 0 | 0 | 0 | 108.4 | A2 T6 | A2-N4 PolarHBondContact O-N 3.14Å; A2-N4 VanDerWaalsContact O-N 3.12Å; N4-T6 PolarHBondContact O-N 3Å | ||
| 5 | H | 41.6 | Very low | 49.8 | Very low | 176 Ų | 176 | 119.5 Ų | 119.5 | 82% | 0.815 | 65% | 0.645 | S | S | * | * | trans | -63.8 | 95.3 | 152.2 | -82.6 | -72.4 | 0 | 0 | 0 | 106.8 | L3 A7 | L3-H5 VanDerWaalsContact C-N 3.31Å; L3-H5 PolarHBondContact O-N 2.83Å; H5-A7 VanDerWaalsContact C-N 3.26Å; H5-A7 PolarHBondContact O-N 2.94Å | ||
| 6 | T | 42.6 | Very low | 51.5 | Low | 131 Ų | 131 | 113.4 Ų | 113.4 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | trans | -60.9 | 95.2 | 163.5 | 33 | 0 | 0 | 0 | 0 | 107.6 | N4 L8 | N4-T6 PolarHBondContact O-N 3Å; T6-L8 PolarHBondContact O-N 3.09Å; T6-L8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | A | 44.7 | Very low | 52.8 | Low | 82 Ų | 82 | 108.4 Ų | 108.4 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | trans | -58 | 115.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | H5 | H5-A7 VanDerWaalsContact C-N 3.26Å; H5-A7 PolarHBondContact O-N 2.94Å | ||
| 8 | L | 49.6 | Very low | 54.2 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | trans | -50.6 | 134.7 | 167.3 | -79.8 | 144.9 | 0 | 0 | 0 | 108.6 | T6 E12 R13 | T6-L8 PolarHBondContact O-N 3.09Å; T6-L8 VanDerWaalsContact O-N 3.15Å; L8-E12 WeakPolarHBondContact CD2-OE2 3.38Å; L8-R13 PolarHBondContact O-NH2 3.15Å; L8-R13 VanDerWaalsContact O-NH2 3.13Å | ||
| 9 | P | 51.6 | Low | 55.1 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | trans | -53.5 | 142.3 | -177.6 | 19.6 | -28.6 | 0 | 0 | 0 | 110.7 | D11 E12 | P9-D11 PolarHBondContact O-N 3.34Å; P9-E12 PolarHBondContact O-N 3.48Å | ||
| 10 | Q | 52.8 | Low | 55.6 | Low | 178 Ų | 178 | 106.2 Ų | 106.2 | 83% | 0.832 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -54.9 | -28.5 | -171.9 | -116.3 | 165.3 | -19 | 0 | 0 | 113.8 | E12 | Q10-E12 VanDerWaalsContact C-N 3.33Å; Q10-E12 PolarHBondContact O-N 3.03Å |
| 11 | D | 53.2 | Low | 56.6 | Low | 117 Ų | 117 | 105.1 Ų | 105.1 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -67.6 | -27.2 | 177 | -106.9 | -25.5 | 0 | 0 | 0 | 114 | P9 R13 L14 | P9-D11 PolarHBondContact O-N 3.34Å; D11-R13 PolarHBondContact O-N 3.4Å; D11-L14 WeakPolarHBondContact O-CB 3.35Å; D11-L14 PolarHBondContact O-N 2.88Å |
| 12 | E | 55.9 | Low | 59 | Low | 71 Ų | 71 | 95.9 Ų | 95.9 | 33% | 0.332 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -80.1 | -4.4 | -174.6 | -132 | 177.9 | 164.6 | 0 | 0 | 112.8 | L8 P9 Q10 P280 | L8-E12 WeakPolarHBondContact CD2-OE2 3.38Å; P9-E12 PolarHBondContact O-N 3.48Å; Q10-E12 VanDerWaalsContact C-N 3.33Å; Q10-E12 PolarHBondContact O-N 3.03Å; E12-P280 WeakPolarHBondContact O-CG 3.46Å |
| 13 | R | 62.1 | Low | 61.5 | Low | 119 Ų | 119 | 92.6 Ų | 92.6 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -108.7 | 1.2 | 174 | -78.7 | 179.9 | -78 | -152.3 | -7.1 | 113 | L8 D11 | L8-R13 PolarHBondContact O-NH2 3.15Å; L8-R13 VanDerWaalsContact O-NH2 3.13Å; D11-R13 PolarHBondContact O-N 3.4Å |
| 14 | L | 71.4 | Confident | 64 | Low | 67 Ų | 67 | 85.5 Ų | 85.5 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -72.7 | 132 | 179.2 | -140.8 | 78.7 | 0 | 0 | 0 | 109.6 | D11 L18 | D11-L14 WeakPolarHBondContact O-CB 3.35Å; D11-L14 PolarHBondContact O-N 2.88Å; L14-L18 HydrophobicContact CD2-CB 3.73Å; L14-L18 HydrophobicContact CG-CB 4.02Å; L14-L18 HydrophobicContact CG-CD1 4.46Å |
| 15 | P | 74.1 | Confident | 66.7 | Low | 10 Ų | 10 | 80.3 Ų | 80.3 | 7% | 0.065 | 44% | 0.44 | C | S | . | . | trans | -52.1 | 143.4 | 172 | -26.1 | 30.5 | 0 | 0 | 0 | 112.6 | Y17 L18 R19 W188 | P15-Y17 HydrophobicContact CB-CD1 3.88Å; P15-Y17 HydrophobicContact CB-CD2 4.43Å; P15-Y17 HydrophobicContact CB-CE1 3.34Å; P15-Y17 HydrophobicContact CB-CE2 3.96Å; P15-Y17 HydrophobicContact CB-CG 4.39Å; P15-Y17 HydrophobicContact CG-CE1 4.3Å; P15-Y17 PolarHBondContact O-N 3.21Å; P15-Y17 VanDerWaalsContact O-N 3.13Å; P15-L18 HydrophobicContact CB-CD1 4.46Å; P15-L18 HydrophobicContact CB-CG 4.47Å; P15-L18 HydrophobicContact CG-CD1 4.15Å; P15-L18 PolarHBondContact O-N 3.13Å; P15-R19 PolarHBondContact O-N 3.45Å; P15-W188 HydrophobicContact CB-CB 4.18Å; P15-W188 HydrophobicContact CG-CB 4.43Å | ||
| 16 | H | 75.9 | Confident | 69.2 | Low | 23 Ų | 23 | 72.6 Ų | 72.6 | 11% | 0.106 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.7 | -35.8 | -173.8 | 73.1 | -88.3 | 0 | 0 | 0 | 113.4 | L18 R19 D20 P176 W188 | H16-L18 PolarHBondContact O-N 3.32Å; H16-R19 PolarHBondContact O-N 3.15Å; H16-D20 PolarHBondContact O-N 2.96Å; H16-D20 VanDerWaalsContact O-N 3.13Å; H16-P176 PolarHBondContact CE1-O 2.96Å; H16-P176 PolarHBondContact NE2-O 2.68Å; H16-W188 AromaticContact CE1-CE3 3.88Å; H16-W188 AromaticContact CE1-CH2 3.8Å; H16-W188 AromaticContact CE1-CZ3 3.59Å; H16-W188 AromaticContact ND1-CD2 3.66Å; H16-W188 AromaticContact ND1-CE2 3.63Å; H16-W188 AromaticContact ND1-CE3 3.63Å; H16-W188 AromaticContact ND1-CH2 3.71Å; H16-W188 AromaticContact ND1-CZ2 3.67Å; H16-W188 AromaticContact ND1-CZ3 3.66Å |
| 17 | Y | 73.6 | Confident | 71.6 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -75.1 | -7.6 | 179.8 | 59.8 | -100.2 | 0 | 0 | 0 | 113.7 | P15 P23 W103 A175 D186 | P15-Y17 HydrophobicContact CB-CD1 3.88Å; P15-Y17 HydrophobicContact CB-CD2 4.43Å; P15-Y17 HydrophobicContact CB-CE1 3.34Å; P15-Y17 HydrophobicContact CB-CE2 3.96Å; P15-Y17 HydrophobicContact CB-CG 4.39Å; P15-Y17 HydrophobicContact CG-CE1 4.3Å; P15-Y17 PolarHBondContact O-N 3.21Å; P15-Y17 VanDerWaalsContact O-N 3.13Å; Y17-P23 WeakPolarHBondContact O-CB 3.43Å; Y17-W103 AromaticContact CD2-CH2 3.9Å; Y17-W103 HydrophobicContact CD2-CH2 3.9Å; Y17-W103 HydrophobicContact CE2-CH2 4.42Å; Y17-W103 HydrophobicContact CG-CH2 4.44Å; Y17-A175 HydrophobicContact CD1-CB 3.75Å; Y17-A175 HydrophobicContact CE1-CB 3.45Å; Y17-A175 VanDerWaalsContact CE1-CB 3.45Å; Y17-D186 PolarHBondContact OH-OD2 3.22Å |
| 18 | L | 78.8 | Confident | 73.9 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 55% | 0.55 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -99.3 | -19 | 169.5 | -63.7 | 179.7 | 0 | 0 | 0 | 112.3 | L14 P15 H16 | L14-L18 HydrophobicContact CD2-CB 3.73Å; L14-L18 HydrophobicContact CG-CB 4.02Å; L14-L18 HydrophobicContact CG-CD1 4.46Å; P15-L18 HydrophobicContact CB-CD1 4.46Å; P15-L18 HydrophobicContact CB-CG 4.47Å; P15-L18 HydrophobicContact CG-CD1 4.15Å; P15-L18 PolarHBondContact O-N 3.13Å; H16-L18 PolarHBondContact O-N 3.32Å |
| 19 | R | 71 | Confident | 76 | Confident | 121 Ų | 121 | 64.6 Ų | 64.6 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -86.4 | -39.5 | -179.7 | -162.1 | 179.3 | 84.7 | 178.2 | -1.6 | 112.6 | P15 H16 D281 | P15-R19 PolarHBondContact O-N 3.45Å; H16-R19 PolarHBondContact O-N 3.15Å; R19-D281 IonicContact CZ-OD1 2.57Å; R19-D281 IonicContact CZ-OD2 3.2Å; R19-D281 VanDerWaalsContact NH1-CG 3.26Å; R19-D281 IonicContact NH1-OD1 2.81Å; R19-D281 PolarHBondContact NH1-OD1 3.01Å; R19-D281 IonicContact NH1-OD2 2.93Å; R19-D281 PolarHBondContact NH1-OD2 2.8Å; R19-D281 IonicContact NH2-OD1 2.87Å; R19-D281 PolarHBondContact NH2-OD1 3.46Å; R19-D281 IonicContact NH2-OD2 2.73Å |
| 20 | D | 64.5 | Low | 78.1 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -88.7 | 141.6 | -179 | -61.3 | -40.8 | 0 | 0 | 0 | 110.6 | H16 K27 | H16-D20 PolarHBondContact O-N 2.96Å; H16-D20 VanDerWaalsContact O-N 3.13Å; D20-K27 VanDerWaalsContact OD2-CE 3.23Å; D20-K27 WeakPolarHBondContact OD2-CE 3.32Å; D20-K27 IonicContact OD2-NZ 2.8Å; D20-K27 PolarHBondContact OD2-NZ 3.33Å |
| 21 | G | 77.9 | Confident | 80.2 | Confident | 84 Ų | 84 | 64 Ų | 64 | 87% | 0.866 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -50.5 | -68.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P23 | G21-P23 WeakPolarHBondContact O-CD 3.38Š|
| 22 | D | 86 | Confident | 82.2 | Confident | 56 Ų | 56 | 60 Ų | 60 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | trans | -103.4 | 106.7 | 177.5 | 178.4 | 12.7 | 0 | 0 | 0 | 110.8 | F24 A25 R98 | D22-F24 PolarHBondContact O-N 3.44Å; D22-F24 VanDerWaalsContact O-N 3.08Å; D22-F24 PolarHBondContact OD1-N 3.2Å; D22-A25 HydrophobicContact CB-CB 4.08Å; D22-A25 PolarHBondContact O-N 3.34Å; D22-A25 VanDerWaalsContact O-N 3.14Å; D22-R98 IonicContact OD1-CZ 3.63Å; D22-R98 IonicContact OD1-NH1 3.96Å; D22-R98 IonicContact OD1-NH2 2.88Å; D22-R98 PolarHBondContact OD1-NH2 3.48Å; D22-R98 IonicContact OD2-CZ 2.94Å; D22-R98 IonicContact OD2-NH1 2.54Å; D22-R98 PolarHBondContact OD2-NH1 2.98Å; D22-R98 IonicContact OD2-NH2 2.85Å; D22-R98 PolarHBondContact OD2-NH2 3.14Å | ||
| 23 | P | 87.7 | Confident | 84.1 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -12.5 | -174.2 | 28.3 | -36.1 | 0 | 0 | 0 | 113.7 | Y17 G21 W103 P176 | Y17-P23 WeakPolarHBondContact O-CB 3.43Å; G21-P23 WeakPolarHBondContact O-CD 3.38Å; P23-W103 HydrophobicContact CG-CZ2 3.91Å; P23-P176 HydrophobicContact CB-CG 4.41Å |
| 24 | F | 93.5 | Very high | 85.7 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -9 | -179.5 | -65.2 | -50.6 | 0 | 0 | 0 | 113.1 | D22 R98 W99 W103 C106 P176 | D22-F24 PolarHBondContact O-N 3.44Å; D22-F24 VanDerWaalsContact O-N 3.08Å; D22-F24 PolarHBondContact OD1-N 3.2Å; F24-R98 HydrophobicContact CB-CG 4.28Å; F24-R98 CarbonylContact O-C 3.47Å; F24-R98 VanDerWaalsContact O-CA 3.24Å; F24-R98 WeakPolarHBondContact O-CA 3.43Å; F24-R98 WeakPolarHBondContact O-CG 3.23Å; F24-W99 HydrophobicContact CB-CB 3.87Å; F24-W99 HydrophobicContact CD1-CB 3.59Å; F24-W99 AromaticContact CD1-CD1 3.39Å; F24-W99 AromaticContact CD1-CG 3.71Å; F24-W99 HydrophobicContact CD1-CG 3.71Å; F24-W99 HydrophobicContact CE1-CB 4.46Å; F24-W99 AromaticContact CE1-CD1 3.45Å; F24-W99 VanDerWaalsContact CE1-CD1 3.45Å; F24-W99 HydrophobicContact CE1-CG 4.12Å; F24-W99 HydrophobicContact CG-CB 4.03Å; F24-W99 HydrophobicContact CG-CG 4.41Å; F24-W99 PolarHBondContact O-N 2.91Å; F24-W103 AromaticContact CE2-CD1 3.82Å; F24-W103 HydrophobicContact CE2-CD2 4.19Å; F24-W103 AromaticContact CE2-CE2 3.86Å; F24-W103 HydrophobicContact CE2-CG 4.17Å; F24-W103 HydrophobicContact CE2-CZ2 4.45Å; F24-W103 AromaticContact CE2-NE1 3.61Å; F24-W103 HydrophobicContact CZ-CB 4.49Å; F24-W103 AromaticContact CZ-CD1 3.9Å; F24-W103 AromaticContact CZ-CD2 3.58Å; F24-W103 HydrophobicContact CZ-CD2 3.58Å; F24-W103 AromaticContact CZ-CE2 3.61Å; F24-W103 HydrophobicContact CZ-CE3 4.09Å; F24-W103 AromaticContact CZ-CG 3.77Å; F24-W103 HydrophobicContact CZ-CG 3.77Å; F24-W103 HydrophobicContact CZ-CZ2 4.16Å; F24-W103 AromaticContact CZ-NE1 3.8Å; F24-C106 HydrophobicContact CE1-CB 4.21Å; F24-P176 HydrophobicContact CD1-CG 3.9Å; F24-P176 HydrophobicContact CE1-CG 3.61Å |
| 25 | A | 92.9 | Very high | 87 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 134.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D22 | D22-A25 HydrophobicContact CB-CB 4.08Å; D22-A25 PolarHBondContact O-N 3.34Å; D22-A25 VanDerWaalsContact O-N 3.14Å |
| 26 | S | 93.6 | Very high | 88.1 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | trans | -66.4 | 139 | 174.1 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | L28 D33 H97 F179 | S26-L28 PolarHBondContact OG-N 3.1Å; S26-D33 WeakPolarHBondContact CB-OD2 3.45Å; S26-D33 PolarHBondContact OG-OD2 2.9Å; S26-H97 WeakPolarHBondContact CB-O 3.35Å; S26-H97 PolarHBondContact N-O 3.39Å; S26-H97 VanDerWaalsContact N-O 3.13Å; S26-F179 WeakPolarHBondContact CA-O 3.31Å; S26-F179 PolarHBondContact OG-O 3.31Å | ||
| 27 | K | 92.6 | Very high | 89.1 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | trans | -102.1 | 2.1 | 173.8 | -54.5 | -174.7 | -166.1 | 160.7 | 0 | 112.8 | D20 P178 F179 I285 | D20-K27 VanDerWaalsContact OD2-CE 3.23Å; D20-K27 WeakPolarHBondContact OD2-CE 3.32Å; D20-K27 IonicContact OD2-NZ 2.8Å; D20-K27 PolarHBondContact OD2-NZ 3.33Å; K27-P178 WeakPolarHBondContact CD-O 3.43Å; K27-P178 WeakPolarHBondContact CE-O 3.33Å; K27-P178 PolarHBondContact NZ-O 3.42Å; K27-F179 PolarHBondContact N-O 3.49Å; K27-I285 HydrophobicContact CB-CD1 3.58Å; K27-I285 HydrophobicContact CD-CD1 4.18Å | ||
| 28 | L | 92.8 | Very high | 90.2 | Very high | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -80.4 | 171 | 174 | -67.6 | 169.9 | 0 | 0 | 0 | 109.9 | S26 A32 H97 F179 I285 V289 | S26-L28 PolarHBondContact OG-N 3.1Å; L28-A32 HydrophobicContact CB-CB 4.18Å; L28-H97 PolarHBondContact O-CE1 2.97Å; L28-F179 HydrophobicContact CD1-CB 4.06Å; L28-F179 HydrophobicContact CD1-CD2 4.43Å; L28-F179 HydrophobicContact CG-CB 4.05Å; L28-I285 HydrophobicContact CD2-CG2 3.66Å; L28-I285 HydrophobicContact CG-CG2 4.32Å; L28-V289 HydrophobicContact CD1-CB 4.5Å; L28-V289 HydrophobicContact CD1-CG2 3.92Å; L28-V289 HydrophobicContact CD2-CB 4.48Å; L28-V289 HydrophobicContact CD2-CG1 4.22Å |
| 29 | S | 95.1 | Very high | 91.1 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | trans | -74.1 | 155.9 | 163.8 | 86.6 | 0 | 0 | 0 | 0 | 109.6 | E31 A32 D33 | S29-E31 WeakPolarHBondContact CB-OE2 3.42Å; S29-E31 PolarHBondContact O-N 2.95Å; S29-E31 PolarHBondContact OG-N 3.03Å; S29-E31 PolarHBondContact OG-OE2 3.27Å; S29-A32 PolarHBondContact O-N 2.95Å; S29-A32 VanDerWaalsContact O-N 3.13Å; S29-A32 PolarHBondContact OG-N 3.03Å; S29-D33 PolarHBondContact O-N 2.87Å; S29-D33 VanDerWaalsContact O-N 3.07Å | ||
| 30 | W | 94.4 | Very high | 92.3 | Very high | 134 Ų | 134 | 51.1 Ų | 51.1 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.8 | -40.3 | 175.9 | 171 | -98.7 | 0 | 0 | 0 | 112.2 | D33 I34 H97 | W30-D33 PolarHBondContact O-N 3.45Å; W30-I34 HydrophobicContact CD2-CD1 4.34Å; W30-I34 HydrophobicContact CG-CD1 4.47Å; W30-I34 HydrophobicContact CZ2-CD1 3.86Å; W30-I34 HydrophobicContact CZ2-CG1 4.44Å; W30-I34 WeakPolarHBondContact O-CG1 3.34Å; W30-I34 PolarHBondContact O-N 3.42Å; W30-H97 HydrophobicContact CE3-CB 3.79Å; W30-H97 HydrophobicContact CZ3-CB 3.83Å |
| 31 | E | 96.2 | Very high | 93.9 | Very high | 119 Ų | 119 | 50.5 Ų | 50.5 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 178.6 | -53.2 | 71.9 | -153.7 | 0 | 0 | 111.4 | S29 D33 I34 V35 | S29-E31 WeakPolarHBondContact CB-OE2 3.42Å; S29-E31 PolarHBondContact O-N 2.95Å; S29-E31 PolarHBondContact OG-N 3.03Å; S29-E31 PolarHBondContact OG-OE2 3.27Å; E31-D33 VanDerWaalsContact C-N 3.32Å; E31-D33 PolarHBondContact O-N 3Å; E31-I34 PolarHBondContact O-N 3.28Å; E31-V35 VanDerWaalsContact O-CG2 3.3Å; E31-V35 WeakPolarHBondContact O-CG2 3.5Å; E31-V35 PolarHBondContact O-N 3.38Å |
| 32 | A | 95.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L28 S29 V35 A36 | L28-A32 HydrophobicContact CB-CB 4.18Å; S29-A32 PolarHBondContact O-N 2.95Å; S29-A32 VanDerWaalsContact O-N 3.13Å; S29-A32 PolarHBondContact OG-N 3.03Å; A32-V35 PolarHBondContact O-N 3.19Å; A32-A36 WeakPolarHBondContact O-CB 3.42Å; A32-A36 PolarHBondContact O-N 3.01Å |
| 33 | D | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 174.4 | -93.5 | -34.2 | 0 | 0 | 0 | 112.9 | S26 S29 W30 E31 V35 A36 G37 C94 H97 | S26-D33 WeakPolarHBondContact CB-OD2 3.45Å; S26-D33 PolarHBondContact OG-OD2 2.9Å; S29-D33 PolarHBondContact O-N 2.87Å; S29-D33 VanDerWaalsContact O-N 3.07Å; W30-D33 PolarHBondContact O-N 3.45Å; E31-D33 VanDerWaalsContact C-N 3.32Å; E31-D33 PolarHBondContact O-N 3Å; D33-V35 VanDerWaalsContact C-N 3.33Å; D33-V35 PolarHBondContact O-N 2.92Å; D33-A36 PolarHBondContact O-N 2.92Å; D33-G37 PolarHBondContact O-N 3.39Å; D33-C94 WeakPolarHBondContact CB-O 3.26Å; D33-C94 WeakPolarHBondContact O-CB 3.28Å; D33-H97 IonicContact OD2-CE1 3.28Å; D33-H97 PolarHBondContact OD2-CE1 3.05Å; D33-H97 VanDerWaalsContact OD2-CE1 3.28Å; D33-H97 IonicContact OD2-CG 3.73Å; D33-H97 IonicContact OD2-ND1 2.66Å; D33-H97 PolarHBondContact OD2-ND1 3.42Å |
| 34 | I | 96.9 | Very high | 95.6 | Very high | 50 Ų | 50 | 48 Ų | 48 | 26% | 0.256 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -47.4 | 173.2 | -75 | 180 | 0 | 0 | 0 | 110.5 | W30 E31 A36 G37 F38 | W30-I34 HydrophobicContact CD2-CD1 4.34Å; W30-I34 HydrophobicContact CG-CD1 4.47Å; W30-I34 HydrophobicContact CZ2-CD1 3.86Å; W30-I34 HydrophobicContact CZ2-CG1 4.44Å; W30-I34 WeakPolarHBondContact O-CG1 3.34Å; W30-I34 PolarHBondContact O-N 3.42Å; E31-I34 PolarHBondContact O-N 3.28Å; I34-A36 VanDerWaalsContact C-N 3.34Å; I34-A36 PolarHBondContact O-N 2.81Å; I34-G37 PolarHBondContact O-N 3.03Å; I34-F38 HydrophobicContact CG2-CD2 3.61Å; I34-F38 HydrophobicContact CG2-CE2 3.6Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 3.1Å |
| 35 | V | 97.3 | Very high | 95.7 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 61% | 0.612 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 178.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | E31 A32 D33 F38 Y39 | E31-V35 VanDerWaalsContact O-CG2 3.3Å; E31-V35 WeakPolarHBondContact O-CG2 3.5Å; E31-V35 PolarHBondContact O-N 3.38Å; A32-V35 PolarHBondContact O-N 3.19Å; D33-V35 VanDerWaalsContact C-N 3.33Å; D33-V35 PolarHBondContact O-N 2.92Å; V35-F38 PolarHBondContact O-N 2.99Å; V35-Y39 VanDerWaalsContact O-CB 3.3Å; V35-Y39 WeakPolarHBondContact O-CB 3.38Å; V35-Y39 PolarHBondContact O-N 2.95Å |
| 36 | A | 96.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A32 D33 I34 Y39 L40 L293 | A32-A36 WeakPolarHBondContact O-CB 3.42Å; A32-A36 PolarHBondContact O-N 3.01Å; D33-A36 PolarHBondContact O-N 2.92Å; I34-A36 VanDerWaalsContact C-N 3.34Å; I34-A36 PolarHBondContact O-N 2.81Å; A36-Y39 PolarHBondContact O-N 3.29Å; A36-L40 VanDerWaalsContact O-CB 3.32Å; A36-L40 WeakPolarHBondContact O-CB 3.39Å; A36-L40 WeakPolarHBondContact O-CG 3.43Å; A36-L40 PolarHBondContact O-N 2.95Å; A36-L293 HydrophobicContact CB-CD1 4.18Å; A36-L293 HydrophobicContact CB-CD2 4.36Å |
| 37 | G | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D33 I34 L40 T41 | D33-G37 PolarHBondContact O-N 3.39Å; I34-G37 PolarHBondContact O-N 3.03Å; G37-L40 PolarHBondContact O-N 3.32Å; G37-T41 WeakPolarHBondContact O-CB 3.18Å; G37-T41 PolarHBondContact O-N 3.44Å; G37-T41 PolarHBondContact O-OG1 2.88Å |
| 38 | F | 97.9 | Very high | 96.1 | Very high | 122 Ų | 122 | 52.1 Ų | 52.1 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.5 | -84.1 | -66.1 | 0 | 0 | 0 | 112.2 | I34 V35 L40 T41 I42 F95 | I34-F38 HydrophobicContact CG2-CD2 3.61Å; I34-F38 HydrophobicContact CG2-CE2 3.6Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 3.1Å; V35-F38 PolarHBondContact O-N 2.99Å; F38-L40 PolarHBondContact O-N 3.26Å; F38-T41 WeakPolarHBondContact O-CB 3.25Å; F38-T41 PolarHBondContact O-N 3.28Å; F38-I42 WeakPolarHBondContact O-CG1 3.25Å; F38-I42 PolarHBondContact O-N 3.28Å; F38-F95 HydrophobicContact CD2-CE1 4.3Å; F38-F95 HydrophobicContact CE2-CE1 4.26Å; F38-F95 HydrophobicContact CG-CZ 4.5Å |
| 39 | Y | 97.3 | Very high | 96.2 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 31% | 0.31 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.4 | -52.1 | 175.4 | 173.9 | -97.8 | 0 | 0 | 0 | 111.1 | V35 A36 T41 I42 I43 L293 S297 | V35-Y39 VanDerWaalsContact O-CB 3.3Å; V35-Y39 WeakPolarHBondContact O-CB 3.38Å; V35-Y39 PolarHBondContact O-N 2.95Å; A36-Y39 PolarHBondContact O-N 3.29Å; Y39-T41 VanDerWaalsContact C-N 3.26Å; Y39-T41 PolarHBondContact O-N 3.13Å; Y39-I42 PolarHBondContact O-N 3.31Å; Y39-I43 HydrophobicContact CD1-CD1 4.17Å; Y39-I43 HydrophobicContact CD1-CG2 4.47Å; Y39-I43 HydrophobicContact CD2-CG2 4.34Å; Y39-I43 HydrophobicContact CE1-CD1 3.77Å; Y39-I43 HydrophobicContact CE1-CG2 4.14Å; Y39-I43 HydrophobicContact CE2-CG2 4.01Å; Y39-I43 WeakPolarHBondContact O-CG2 3.37Å; Y39-I43 PolarHBondContact O-N 2.94Å; Y39-L293 HydrophobicContact CD1-CB 4.32Å; Y39-L293 HydrophobicContact CD1-CD2 4.22Å; Y39-L293 HydrophobicContact CE1-CB 3.91Å; Y39-L293 HydrophobicContact CE1-CD2 4.5Å; Y39-S297 WeakPolarHBondContact OH-CB 3.34Å; Y39-S297 PolarHBondContact OH-OG 2.95Å |
| 40 | L | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -34.7 | 179.6 | -70.9 | 172.3 | 0 | 0 | 0 | 112.5 | A36 G37 F38 I43 G44 T90 I91 L293 K296 | A36-L40 VanDerWaalsContact O-CB 3.32Å; A36-L40 WeakPolarHBondContact O-CB 3.39Å; A36-L40 WeakPolarHBondContact O-CG 3.43Å; A36-L40 PolarHBondContact O-N 2.95Å; G37-L40 PolarHBondContact O-N 3.32Å; F38-L40 PolarHBondContact O-N 3.26Å; L40-I43 HydrophobicContact CD2-CD1 3.72Å; L40-I43 VanDerWaalsContact O-CG1 3.26Å; L40-I43 WeakPolarHBondContact O-CG1 3.42Å; L40-G44 PolarHBondContact O-N 3.37Å; L40-T90 HydrophobicContact CD1-CG2 3.9Å; L40-I91 HydrophobicContact CB-CD1 4.36Å; L40-I91 HydrophobicContact CB-CG1 3.61Å; L40-L293 HydrophobicContact CD1-CD2 4.04Å; L40-L293 HydrophobicContact CD2-CD2 3.77Å; L40-L293 HydrophobicContact CG-CD2 3.89Å; L40-K296 HydrophobicContact CD2-CB 4.25Å; L40-K296 HydrophobicContact CD2-CD 3.92Å |
| 41 | T | 97.5 | Very high | 96.1 | Very high | 42 Ų | 42 | 50 Ų | 50 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -50.2 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | G37 F38 Y39 I43 G44 I45 I91 | G37-T41 WeakPolarHBondContact O-CB 3.18Å; G37-T41 PolarHBondContact O-N 3.44Å; G37-T41 PolarHBondContact O-OG1 2.88Å; F38-T41 WeakPolarHBondContact O-CB 3.25Å; F38-T41 PolarHBondContact O-N 3.28Å; Y39-T41 VanDerWaalsContact C-N 3.26Å; Y39-T41 PolarHBondContact O-N 3.13Å; T41-I43 PolarHBondContact O-N 3.38Å; T41-G44 PolarHBondContact O-N 2.92Å; T41-I45 HydrophobicContact CG2-CD1 3.95Å; T41-I45 WeakPolarHBondContact O-CG1 3.46Å; T41-I45 PolarHBondContact O-N 2.98Å; T41-I91 WeakPolarHBondContact OG1-CG2 3.46Å |
| 42 | I | 96.3 | Very high | 96 | Very high | 99 Ų | 99 | 45.5 Ų | 45.5 | 51% | 0.508 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -51.4 | 179.9 | -67.7 | 166.3 | 0 | 0 | 0 | 110.4 | F38 Y39 G44 I45 L46 | F38-I42 WeakPolarHBondContact O-CG1 3.25Å; F38-I42 PolarHBondContact O-N 3.28Å; Y39-I42 PolarHBondContact O-N 3.31Å; I42-G44 PolarHBondContact O-N 3.23Å; I42-I45 PolarHBondContact O-N 2.87Å; I42-L46 HydrophobicContact CG2-CD1 3.95Å; I42-L46 HydrophobicContact CG2-CG 4.49Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 3.49Å |
| 43 | I | 95.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -32.2 | -179.8 | 72.5 | 179.9 | 0 | 0 | 0 | 111.7 | Y39 L40 T41 S47 M300 | Y39-I43 HydrophobicContact CD1-CD1 4.17Å; Y39-I43 HydrophobicContact CD1-CG2 4.47Å; Y39-I43 HydrophobicContact CD2-CG2 4.34Å; Y39-I43 HydrophobicContact CE1-CD1 3.77Å; Y39-I43 HydrophobicContact CE1-CG2 4.14Å; Y39-I43 HydrophobicContact CE2-CG2 4.01Å; Y39-I43 WeakPolarHBondContact O-CG2 3.37Å; Y39-I43 PolarHBondContact O-N 2.94Å; L40-I43 HydrophobicContact CD2-CD1 3.72Å; L40-I43 VanDerWaalsContact O-CG1 3.26Å; L40-I43 WeakPolarHBondContact O-CG1 3.42Å; T41-I43 PolarHBondContact O-N 3.38Å; I43-S47 WeakPolarHBondContact O-CB 3.43Å; I43-S47 PolarHBondContact O-N 2.71Å; I43-M300 HydrophobicContact CB-CE 3.62Å; I43-M300 HydrophobicContact CB-SD 4.19Å; I43-M300 HydrophobicContact CG2-CE 3.14Å; I43-M300 HydrophobicContact CG2-SD 4.01Å |
| 44 | G | 96 | Very high | 95.6 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.1 | -44.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L40 T41 I42 T48 | L40-G44 PolarHBondContact O-N 3.37Å; T41-G44 PolarHBondContact O-N 2.92Å; I42-G44 PolarHBondContact O-N 3.23Å; G44-T48 VanDerWaalsContact O-CB 3.24Å; G44-T48 WeakPolarHBondContact O-CB 3.39Å; G44-T48 PolarHBondContact O-N 3.45Å; G44-T48 PolarHBondContact O-OG1 3.17Å |
| 45 | I | 95.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 46% | 0.456 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60 | -54.5 | 172.7 | -70.6 | 170.8 | 0 | 0 | 0 | 109.7 | T41 I42 S47 T48 F49 | T41-I45 HydrophobicContact CG2-CD1 3.95Å; T41-I45 WeakPolarHBondContact O-CG1 3.46Å; T41-I45 PolarHBondContact O-N 2.98Å; I42-I45 PolarHBondContact O-N 2.87Å; I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 2.92Å; I45-T48 PolarHBondContact O-N 3.02Å; I45-F49 HydrophobicContact CG2-CD2 3.66Å; I45-F49 HydrophobicContact CG2-CE2 3.81Å; I45-F49 VanDerWaalsContact O-CD2 3.25Å; I45-F49 WeakPolarHBondContact O-CD2 3.36Å; I45-F49 PolarHBondContact O-N 2.99Å |
| 46 | L | 94.8 | Very high | 95.1 | Very high | 92 Ų | 92 | 48 Ų | 48 | 48% | 0.482 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.5 | -44.1 | -178.1 | -70 | 176.1 | 0 | 0 | 0 | 112.5 | I42 G50 M300 | I42-L46 HydrophobicContact CG2-CD1 3.95Å; I42-L46 HydrophobicContact CG2-CG 4.49Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 3.49Å; L46-G50 WeakPolarHBondContact O-CA 3.43Å; L46-G50 PolarHBondContact O-N 2.84Å; L46-M300 HydrophobicContact CD1-SD 4.11Å |
| 47 | S | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | I43 I45 N51 S83 A299 | I43-S47 WeakPolarHBondContact O-CB 3.43Å; I43-S47 PolarHBondContact O-N 2.71Å; I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 2.92Å; S47-N51 WeakPolarHBondContact O-CB 3.38Å; S47-N51 PolarHBondContact O-N 3.38Å; S47-N51 PolarHBondContact O-ND2 3.48Å; S47-N51 PolarHBondContact OG-ND2 2.91Å; S47-N51 VanDerWaalsContact OG-ND2 3.08Å; S47-S83 VanDerWaalsContact CB-OG 3.25Å; S47-S83 WeakPolarHBondContact CB-OG 3.18Å; S47-S83 PolarHBondContact OG-OG 2.8Å; S47-A299 WeakPolarHBondContact OG-CB 3.19Å; S47-A299 PolarHBondContact OG-O 3.22Å |
| 48 | T | 96.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -51.8 | 179 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | G44 I45 G52 L80 S83 V84 | G44-T48 VanDerWaalsContact O-CB 3.24Å; G44-T48 WeakPolarHBondContact O-CB 3.39Å; G44-T48 PolarHBondContact O-N 3.45Å; G44-T48 PolarHBondContact O-OG1 3.17Å; I45-T48 PolarHBondContact O-N 3.02Å; T48-G52 WeakPolarHBondContact O-CA 3.44Å; T48-G52 PolarHBondContact O-N 3.38Å; T48-L80 HydrophobicContact CG2-CD1 3.87Å; T48-S83 WeakPolarHBondContact OG1-CB 3.47Å; T48-V84 HydrophobicContact CG2-CG2 4.22Å |
| 49 | F | 94.8 | Very high | 93.7 | Very high | 153 Ų | 153 | 49.1 Ų | 49.1 | 67% | 0.671 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.1 | -42 | 178.8 | -77.2 | -73.6 | 0 | 0 | 0 | 112 | I45 Y53 | I45-F49 HydrophobicContact CG2-CD2 3.66Å; I45-F49 HydrophobicContact CG2-CE2 3.81Å; I45-F49 VanDerWaalsContact O-CD2 3.25Å; I45-F49 WeakPolarHBondContact O-CD2 3.36Å; I45-F49 PolarHBondContact O-N 2.99Å; F49-Y53 VanDerWaalsContact O-CB 3.27Å; F49-Y53 WeakPolarHBondContact O-CB 3.42Å; F49-Y53 PolarHBondContact O-N 2.62Å |
| 50 | G | 92.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -51.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L46 Y53 V54 P303 | L46-G50 WeakPolarHBondContact O-CA 3.43Å; L46-G50 PolarHBondContact O-N 2.84Å; G50-Y53 PolarHBondContact O-N 3.03Å; G50-V54 WeakPolarHBondContact O-CG2 3.43Å; G50-V54 PolarHBondContact O-N 3.35Å; G50-P303 VanDerWaalsContact C-CG 3.42Å |
| 51 | N | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.9 | -36.5 | 179.1 | -69.4 | -62.3 | 0 | 0 | 0 | 111.7 | S47 Y53 V54 L55 A76 D79 L80 A299 | S47-N51 WeakPolarHBondContact O-CB 3.38Å; S47-N51 PolarHBondContact O-N 3.38Å; S47-N51 PolarHBondContact O-ND2 3.48Å; S47-N51 PolarHBondContact OG-ND2 2.91Å; S47-N51 VanDerWaalsContact OG-ND2 3.08Å; N51-Y53 VanDerWaalsContact C-N 3.3Å; N51-Y53 PolarHBondContact O-N 3.19Å; N51-V54 WeakPolarHBondContact O-CB 3.25Å; N51-V54 PolarHBondContact O-N 3.39Å; N51-V54 VanDerWaalsContact O-N 3.17Å; N51-L55 WeakPolarHBondContact O-CG 3.41Å; N51-L55 PolarHBondContact O-N 3.05Å; N51-A76 HydrophobicContact CB-CB 4.24Å; N51-D79 WeakPolarHBondContact ND2-CB 3.5Å; N51-L80 HydrophobicContact CB-CB 4.31Å; N51-A299 PolarHBondContact ND2-O 2.97Å |
| 52 | G | 95 | Very high | 91.4 | Very high | 25 Ų | 25 | 65.1 Ų | 65.1 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58 | -40.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T48 L55 Y56 | T48-G52 WeakPolarHBondContact O-CA 3.44Å; T48-G52 PolarHBondContact O-N 3.38Å; G52-L55 PolarHBondContact O-N 3.43Å; G52-Y56 WeakPolarHBondContact O-CB 3.29Å; G52-Y56 PolarHBondContact O-N 3.33Å |
| 53 | Y | 91.7 | Very high | 90.7 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 174.9 | -179.6 | -102.2 | 0 | 0 | 0 | 112.6 | F49 G50 N51 L55 Y56 M57 F332 | F49-Y53 VanDerWaalsContact O-CB 3.27Å; F49-Y53 WeakPolarHBondContact O-CB 3.42Å; F49-Y53 PolarHBondContact O-N 2.62Å; G50-Y53 PolarHBondContact O-N 3.03Å; N51-Y53 VanDerWaalsContact C-N 3.3Å; N51-Y53 PolarHBondContact O-N 3.19Å; Y53-L55 VanDerWaalsContact C-N 3.33Å; Y53-L55 PolarHBondContact O-N 3.32Å; Y53-Y56 PolarHBondContact O-N 3.1Å; Y53-M57 HydrophobicContact CD1-CG 4.14Å; Y53-M57 HydrophobicContact CD2-CG 4.12Å; Y53-M57 HydrophobicContact CE1-CG 3.68Å; Y53-M57 HydrophobicContact CE2-CG 3.65Å; Y53-M57 HydrophobicContact CE2-SD 4.01Å; Y53-M57 HydrophobicContact CG-CG 4.35Å; Y53-M57 VanDerWaalsContact CZ-CG 3.41Å; Y53-M57 WeakPolarHBondContact O-CB 3.24Å; Y53-M57 WeakPolarHBondContact O-CG 3.27Å; Y53-M57 PolarHBondContact O-N 3.01Å; Y53-F332 PolarHBondContact OH-O 2.93Å |
| 54 | V | 90.6 | Very high | 90 | Very high | 7 Ų | 7 | 75.8 Ų | 75.8 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 111 | G50 N51 S58 T72 A76 Y306 | G50-V54 WeakPolarHBondContact O-CG2 3.43Å; G50-V54 PolarHBondContact O-N 3.35Å; N51-V54 WeakPolarHBondContact O-CB 3.25Å; N51-V54 PolarHBondContact O-N 3.39Å; N51-V54 VanDerWaalsContact O-N 3.17Å; V54-S58 VanDerWaalsContact O-CB 3.31Å; V54-S58 WeakPolarHBondContact O-CB 3.44Å; V54-S58 PolarHBondContact O-N 3.35Å; V54-S58 PolarHBondContact O-OG 3.23Å; V54-T72 HydrophobicContact CG1-CG2 4.17Å; V54-A76 HydrophobicContact CB-CB 4.19Å; V54-A76 HydrophobicContact CG1-CB 3.92Å; V54-Y306 HydrophobicContact CG2-CD2 3.86Å; V54-Y306 HydrophobicContact CG2-CE2 4.2Å |
| 55 | L | 92.8 | Very high | 89.4 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66 | -46.5 | 176.7 | -63.8 | 180 | 0 | 0 | 0 | 111.8 | N51 G52 Y53 M57 S58 S59 I73 A76 V77 L80 | N51-L55 WeakPolarHBondContact O-CG 3.41Å; N51-L55 PolarHBondContact O-N 3.05Å; G52-L55 PolarHBondContact O-N 3.43Å; Y53-L55 VanDerWaalsContact C-N 3.33Å; Y53-L55 PolarHBondContact O-N 3.32Å; L55-M57 PolarHBondContact O-N 3.36Å; L55-S58 PolarHBondContact O-N 3.41Å; L55-S59 PolarHBondContact O-N 2.69Å; L55-I73 HydrophobicContact CD2-CB 4.48Å; L55-I73 HydrophobicContact CD2-CG2 3.77Å; L55-A76 HydrophobicContact CD2-CB 3.88Å; L55-A76 HydrophobicContact CG-CB 4.1Å; L55-V77 HydrophobicContact CD1-CG2 4.22Å; L55-V77 HydrophobicContact CD2-CG2 3.87Å; L55-L80 HydrophobicContact CD1-CD2 3.73Å |
| 56 | Y | 91.9 | Very high | 88.7 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.7 | -51.9 | 177.4 | 174 | -105.9 | 0 | 0 | 0 | 111.3 | G52 Y53 S58 S59 R60 | G52-Y56 WeakPolarHBondContact O-CB 3.29Å; G52-Y56 PolarHBondContact O-N 3.33Å; Y53-Y56 PolarHBondContact O-N 3.1Å; Y56-S58 VanDerWaalsContact C-N 3.27Å; Y56-S58 PolarHBondContact O-N 3.24Å; Y56-S59 PolarHBondContact O-N 2.92Å; Y56-S59 VanDerWaalsContact O-N 3.15Å; Y56-S59 PolarHBondContact O-OG 3.49Å; Y56-R60 HydrophobicContact CE1-CG 4.31Å; Y56-R60 HydrophobicContact CE2-CG 4.16Å; Y56-R60 WeakPolarHBondContact O-CG 3.34Å; Y56-R60 PolarHBondContact O-N 2.94Å; Y56-R60 PolarHBondContact OH-NE 3.45Å; Y56-R60 PolarHBondContact OH-NH2 3.26Å |
| 57 | M | 87 | Confident | 88.2 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 19% | 0.192 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 179.5 | -72.5 | -60.2 | -74 | 0 | 0 | 112.7 | Y53 L55 R61 L334 | Y53-M57 HydrophobicContact CD1-CG 4.14Å; Y53-M57 HydrophobicContact CD2-CG 4.12Å; Y53-M57 HydrophobicContact CE1-CG 3.68Å; Y53-M57 HydrophobicContact CE2-CG 3.65Å; Y53-M57 HydrophobicContact CE2-SD 4.01Å; Y53-M57 HydrophobicContact CG-CG 4.35Å; Y53-M57 VanDerWaalsContact CZ-CG 3.41Å; Y53-M57 WeakPolarHBondContact O-CB 3.24Å; Y53-M57 WeakPolarHBondContact O-CG 3.27Å; Y53-M57 PolarHBondContact O-N 3.01Å; L55-M57 PolarHBondContact O-N 3.36Å; M57-R61 WeakPolarHBondContact O-CG 3.41Å; M57-L334 HydrophobicContact CE-CB 4.15Å |
| 58 | S | 87.5 | Confident | 87.5 | Confident | 21 Ų | 21 | 73.4 Ų | 73.4 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68 | -39.8 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | V54 L55 Y56 R60 R61 | V54-S58 VanDerWaalsContact O-CB 3.31Å; V54-S58 WeakPolarHBondContact O-CB 3.44Å; V54-S58 PolarHBondContact O-N 3.35Å; V54-S58 PolarHBondContact O-OG 3.23Å; L55-S58 PolarHBondContact O-N 3.41Å; Y56-S58 VanDerWaalsContact C-N 3.27Å; Y56-S58 PolarHBondContact O-N 3.24Å; S58-R60 VanDerWaalsContact C-N 3.31Å; S58-R60 PolarHBondContact O-N 2.9Å; S58-R61 WeakPolarHBondContact O-CB 3.25Å; S58-R61 PolarHBondContact O-N 2.96Å |
| 59 | S | 88.1 | Confident | 87 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.5 | -31.1 | 177.7 | 77.4 | 0 | 0 | 0 | 0 | 113.3 | L55 Y56 R61 | L55-S59 PolarHBondContact O-N 2.69Å; Y56-S59 PolarHBondContact O-N 2.92Å; Y56-S59 VanDerWaalsContact O-N 3.15Å; Y56-S59 PolarHBondContact O-OG 3.49Å; S59-R61 PolarHBondContact O-N 2.67Å |
| 60 | R | 88.3 | Confident | 86.9 | Confident | 169 Ų | 169 | 65.3 Ų | 65.3 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.2 | 178.9 | -66.9 | -63.4 | -157 | 174.3 | 5 | 113.6 | Y56 S58 K62 | Y56-R60 HydrophobicContact CE1-CG 4.31Å; Y56-R60 HydrophobicContact CE2-CG 4.16Å; Y56-R60 WeakPolarHBondContact O-CG 3.34Å; Y56-R60 PolarHBondContact O-N 2.94Å; Y56-R60 PolarHBondContact OH-NE 3.45Å; Y56-R60 PolarHBondContact OH-NH2 3.26Å; S58-R60 VanDerWaalsContact C-N 3.31Å; S58-R60 PolarHBondContact O-N 2.9Å; R60-K62 PolarHBondContact O-N 3.46Å |
| 61 | R | 82.9 | Confident | 86.8 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 27% | 0.272 | 31% | 0.305 | S | S | . | . | trans | -79.6 | 118.8 | -177.9 | -67.2 | -170.5 | 175 | -165.8 | 1.6 | 111.6 | M57 S58 S59 K63 E69 L334 T336 | M57-R61 WeakPolarHBondContact O-CG 3.41Å; S58-R61 WeakPolarHBondContact O-CB 3.25Å; S58-R61 PolarHBondContact O-N 2.96Å; S59-R61 PolarHBondContact O-N 2.67Å; R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 2.86Å; R61-E69 IonicContact NH1-OE1 2.62Å; R61-E69 PolarHBondContact NH1-OE1 2.94Å; R61-L334 PolarHBondContact NH2-O 3.21Å; R61-L334 VanDerWaalsContact NH2-O 3.16Å; R61-T336 PolarHBondContact NH2-OG1 3.41Å | ||
| 62 | K | 72.4 | Confident | 86.5 | Confident | 217 Ų | 217 | 67.8 Ų | 67.8 | 94% | 0.943 | 32% | 0.319 | S | S | * | . | trans | -75.9 | -13.9 | 173.7 | -59.3 | -172.1 | 179.2 | -174.4 | 0 | 113.9 | R60 | R60-K62 PolarHBondContact O-N 3.46Š| ||
| 63 | K | 80.8 | Confident | 86.5 | Confident | 157 Ų | 157 | 68.3 Ų | 68.3 | 68% | 0.683 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -91.7 | 148 | 180 | -67.2 | -175.1 | 179.1 | -177.3 | 0 | 110.4 | R61 L65 | R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 2.86Å; K63-L65 PolarHBondContact O-N 3.39Å |
| 64 | K | 80.8 | Confident | 86.7 | Confident | 170 Ų | 170 | 65.1 Ų | 65.1 | 74% | 0.739 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 127.9 | 175.2 | -59.9 | -171.8 | 177.9 | -179.5 | 0 | 110.4 | R146 | K64-R146 VanDerWaalsContact CB-NH2 3.32Š|
| 65 | L | 82.8 | Confident | 86.9 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -65 | 146.6 | 178.7 | -62.3 | 167.9 | 0 | 0 | 0 | 111.6 | K63 E69 I70 I73 R146 | K63-L65 PolarHBondContact O-N 3.39Å; L65-E69 HydrophobicContact CB-CB 4.38Å; L65-E69 HydrophobicContact CD2-CB 4.23Å; L65-I70 HydrophobicContact CB-CG1 4.09Å; L65-I73 HydrophobicContact CD1-CD1 3.45Å; L65-I73 VanDerWaalsContact CD1-CD1 3.45Å; L65-I73 HydrophobicContact CD2-CD1 4.43Å; L65-R146 PolarHBondContact O-NE 3.16Å; L65-R146 PolarHBondContact O-NH2 3.34Å |
| 66 | R | 82.3 | Confident | 87 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 156.4 | 172.4 | -66.4 | 176.4 | -67.9 | 155.6 | 2 | 110.5 | A68 E69 I70 T336 | R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 3.04Å; R66-E69 HydrophobicContact CB-CG 4.27Å; R66-E69 WeakPolarHBondContact CB-OE2 3.29Å; R66-E69 IonicContact CZ-OE1 3.48Å; R66-E69 PolarHBondContact N-OE2 3.43Å; R66-E69 IonicContact NE-OE1 3.8Å; R66-E69 PolarHBondContact NE-OE1 2.98Å; R66-E69 IonicContact NE-OE2 2.8Å; R66-E69 PolarHBondContact NE-OE2 2.92Å; R66-E69 IonicContact NH2-OE1 3.32Å; R66-E69 PolarHBondContact NH2-OE1 3.49Å; R66-E69 WeakPolarHBondContact O-CB 3.19Å; R66-E69 PolarHBondContact O-N 3.41Å; R66-I70 PolarHBondContact O-N 3.37Å; R66-I70 VanDerWaalsContact O-N 3.08Å; R66-T336 VanDerWaalsContact NH2-CG2 3.31Å |
| 67 | P | 83.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -48.4 | -45.8 | 177 | -31.8 | 37.6 | 0 | 0 | 0 | 114.4 | E69 I70 M71 A149 | P67-E69 VanDerWaalsContact C-N 3.3Å; P67-E69 PolarHBondContact O-N 3.43Å; P67-I70 WeakPolarHBondContact O-CB 3.46Å; P67-I70 PolarHBondContact O-N 3.39Å; P67-M71 PolarHBondContact O-N 3.2Å; P67-M71 VanDerWaalsContact O-N 3.16Å; P67-A149 HydrophobicContact CB-CB 3.95Å |
| 68 | A | 81.3 | Confident | 87.8 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R66 M71 T72 | R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 3.04Å; A68-M71 PolarHBondContact O-N 2.99Å; A68-T72 PolarHBondContact O-N 2.93Å; A68-T72 PolarHBondContact O-OG1 3.32Å |
| 69 | E | 85.8 | Confident | 88.2 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71 | -34.5 | 178.8 | -63 | 170.9 | 149.5 | 0 | 0 | 111.3 | R61 L65 R66 P67 M71 T72 I73 T336 | R61-E69 IonicContact NH1-OE1 2.62Å; R61-E69 PolarHBondContact NH1-OE1 2.94Å; L65-E69 HydrophobicContact CB-CB 4.38Å; L65-E69 HydrophobicContact CD2-CB 4.23Å; R66-E69 HydrophobicContact CB-CG 4.27Å; R66-E69 WeakPolarHBondContact CB-OE2 3.29Å; R66-E69 IonicContact CZ-OE1 3.48Å; R66-E69 PolarHBondContact N-OE2 3.43Å; R66-E69 IonicContact NE-OE1 3.8Å; R66-E69 PolarHBondContact NE-OE1 2.98Å; R66-E69 IonicContact NE-OE2 2.8Å; R66-E69 PolarHBondContact NE-OE2 2.92Å; R66-E69 IonicContact NH2-OE1 3.32Å; R66-E69 PolarHBondContact NH2-OE1 3.49Å; R66-E69 WeakPolarHBondContact O-CB 3.19Å; R66-E69 PolarHBondContact O-N 3.41Å; P67-E69 VanDerWaalsContact C-N 3.3Å; P67-E69 PolarHBondContact O-N 3.43Å; E69-M71 VanDerWaalsContact C-N 3.33Å; E69-T72 PolarHBondContact O-N 3.37Å; E69-I73 VanDerWaalsContact O-CG1 3.28Å; E69-I73 WeakPolarHBondContact O-CG1 3.35Å; E69-I73 PolarHBondContact O-N 3.45Å; E69-T336 HydrophobicContact CG-CG2 4.43Å; E69-T336 WeakPolarHBondContact OE1-CG2 3.35Å |
| 70 | I | 90.9 | Very high | 88.6 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 173 | -64 | 169.4 | 0 | 0 | 0 | 110.4 | L65 R66 P67 I73 N74 R146 A149 Y150 | L65-I70 HydrophobicContact CB-CG1 4.09Å; R66-I70 PolarHBondContact O-N 3.37Å; R66-I70 VanDerWaalsContact O-N 3.08Å; P67-I70 WeakPolarHBondContact O-CB 3.46Å; P67-I70 PolarHBondContact O-N 3.39Å; I70-I73 WeakPolarHBondContact O-CB 3.34Å; I70-I73 PolarHBondContact O-N 2.89Å; I70-N74 PolarHBondContact O-N 3.28Å; I70-R146 HydrophobicContact CD1-CG 3.79Å; I70-A149 HydrophobicContact CD1-CB 4.24Å; I70-Y150 HydrophobicContact CD1-CE1 4.38Å; I70-Y150 HydrophobicContact CD1-CE2 4.09Å; I70-Y150 HydrophobicContact CG2-CE1 4.48Å |
| 71 | M | 91.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.3 | -37.2 | 177.8 | -63.4 | -61.4 | 161 | 0 | 0 | 112.4 | P67 A68 E69 I73 N74 L75 T123 V127 A149 C152 I156 | P67-M71 PolarHBondContact O-N 3.2Å; P67-M71 VanDerWaalsContact O-N 3.16Å; A68-M71 PolarHBondContact O-N 2.99Å; E69-M71 VanDerWaalsContact C-N 3.33Å; M71-I73 VanDerWaalsContact C-N 3.33Å; M71-I73 PolarHBondContact O-N 3.24Å; M71-N74 PolarHBondContact O-N 3.35Å; M71-L75 PolarHBondContact O-N 2.92Å; M71-T123 HydrophobicContact CB-CG2 4.25Å; M71-T123 WeakPolarHBondContact O-CG2 3.45Å; M71-T123 HydrophobicContact SD-CG2 4.43Å; M71-V127 HydrophobicContact CB-CG2 3.45Å; M71-V127 VanDerWaalsContact CB-CG2 3.45Å; M71-V127 HydrophobicContact CG-CG2 3.99Å; M71-A149 HydrophobicContact CE-CB 4.09Å; M71-A149 WeakPolarHBondContact CE-O 3.46Å; M71-C152 HydrophobicContact CE-CB 3.75Å; M71-I156 HydrophobicContact SD-CD1 4.12Å |
| 72 | T | 90.3 | Very high | 89.5 | Confident | 47 Ų | 47 | 45.4 Ų | 45.4 | 29% | 0.288 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -41 | 171.6 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | V54 A68 E69 L75 A76 Y306 | V54-T72 HydrophobicContact CG1-CG2 4.17Å; A68-T72 PolarHBondContact O-N 2.93Å; A68-T72 PolarHBondContact O-OG1 3.32Å; E69-T72 PolarHBondContact O-N 3.37Å; T72-L75 PolarHBondContact O-N 3.37Å; T72-A76 PolarHBondContact O-N 2.94Å; T72-Y306 HydrophobicContact CG2-CE1 4.21Å; T72-Y306 HydrophobicContact CG2-CE2 4.27Å |
| 73 | I | 93.3 | Very high | 90.6 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 19% | 0.19 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.4 | -71.1 | 163.5 | 0 | 0 | 0 | 110.1 | L55 L65 E69 I70 M71 L75 A76 V77 | L55-I73 HydrophobicContact CD2-CB 4.48Å; L55-I73 HydrophobicContact CD2-CG2 3.77Å; L65-I73 HydrophobicContact CD1-CD1 3.45Å; L65-I73 VanDerWaalsContact CD1-CD1 3.45Å; L65-I73 HydrophobicContact CD2-CD1 4.43Å; E69-I73 VanDerWaalsContact O-CG1 3.28Å; E69-I73 WeakPolarHBondContact O-CG1 3.35Å; E69-I73 PolarHBondContact O-N 3.45Å; I70-I73 WeakPolarHBondContact O-CB 3.34Å; I70-I73 PolarHBondContact O-N 2.89Å; M71-I73 VanDerWaalsContact C-N 3.33Å; M71-I73 PolarHBondContact O-N 3.24Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.33Å; I73-A76 PolarHBondContact O-N 3.17Å; I73-V77 HydrophobicContact CG2-CG2 4.49Å; I73-V77 WeakPolarHBondContact O-CG2 3.25Å; I73-V77 PolarHBondContact O-N 3.39Å |
| 74 | N | 96.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 178 | -168.3 | 57.2 | 0 | 0 | 0 | 112.1 | I70 M71 A76 V77 C78 T123 L153 W157 | I70-N74 PolarHBondContact O-N 3.28Å; M71-N74 PolarHBondContact O-N 3.35Å; N74-A76 VanDerWaalsContact C-N 3.33Å; N74-A76 PolarHBondContact O-N 3.28Å; N74-V77 WeakPolarHBondContact O-CB 3.17Å; N74-V77 PolarHBondContact O-N 3.38Å; N74-V77 VanDerWaalsContact O-N 3.12Å; N74-C78 PolarHBondContact O-N 2.88Å; N74-C78 PolarHBondContact O-SG 3.16Å; N74-T123 HydrophobicContact CB-CG2 4.39Å; N74-T123 PolarHBondContact ND2-OG1 3.45Å; N74-L153 HydrophobicContact CB-CD1 3.74Å; N74-L153 WeakPolarHBondContact OD1-CD1 3.48Å; N74-W157 WeakPolarHBondContact OD1-CZ2 3.44Å; N74-W157 PolarHBondContact OD1-NE1 2.86Å |
| 75 | L | 94.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.9 | -173.7 | 61.1 | 0 | 0 | 0 | 111.7 | M71 T72 I73 V77 C78 D79 T123 M124 I257 N302 | M71-L75 PolarHBondContact O-N 2.92Å; T72-L75 PolarHBondContact O-N 3.37Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.33Å; L75-V77 VanDerWaalsContact C-N 3.31Å; L75-V77 PolarHBondContact O-N 3.45Å; L75-C78 PolarHBondContact O-N 3.09Å; L75-D79 PolarHBondContact O-N 3.34Å; L75-T123 HydrophobicContact CB-CG2 4.29Å; L75-M124 HydrophobicContact CD1-CE 3.68Å; L75-M124 HydrophobicContact CD1-CG 4.44Å; L75-M124 HydrophobicContact CD2-CE 3.99Å; L75-M124 HydrophobicContact CG-CE 4.45Å; L75-I257 HydrophobicContact CD2-CG2 3.79Å; L75-N302 WeakPolarHBondContact CD2-ND2 3.25Å |
| 76 | A | 95.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N51 V54 L55 T72 I73 N74 L80 | N51-A76 HydrophobicContact CB-CB 4.24Å; V54-A76 HydrophobicContact CB-CB 4.19Å; V54-A76 HydrophobicContact CG1-CB 3.92Å; L55-A76 HydrophobicContact CD2-CB 3.88Å; L55-A76 HydrophobicContact CG-CB 4.1Å; T72-A76 PolarHBondContact O-N 2.94Å; I73-A76 PolarHBondContact O-N 3.17Å; N74-A76 VanDerWaalsContact C-N 3.33Å; N74-A76 PolarHBondContact O-N 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 PolarHBondContact O-N 2.85Å |
| 77 | V | 97.4 | Very high | 92.9 | Very high | 52 Ų | 52 | 21.5 Ų | 21.5 | 32% | 0.315 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 173.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L55 I73 N74 L75 L80 G81 W157 | L55-V77 HydrophobicContact CD1-CG2 4.22Å; L55-V77 HydrophobicContact CD2-CG2 3.87Å; I73-V77 HydrophobicContact CG2-CG2 4.49Å; I73-V77 WeakPolarHBondContact O-CG2 3.25Å; I73-V77 PolarHBondContact O-N 3.39Å; N74-V77 WeakPolarHBondContact O-CB 3.17Å; N74-V77 PolarHBondContact O-N 3.38Å; N74-V77 VanDerWaalsContact O-N 3.12Å; L75-V77 VanDerWaalsContact C-N 3.31Å; L75-V77 PolarHBondContact O-N 3.45Å; V77-L80 PolarHBondContact O-N 2.9Å; V77-G81 PolarHBondContact O-N 3.07Å; V77-W157 HydrophobicContact CG1-CH2 4.06Å; V77-W157 HydrophobicContact CG1-CZ2 3.97Å |
| 78 | C | 97.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 178 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | N74 L75 L80 G81 I82 F116 S120 | N74-C78 PolarHBondContact O-N 2.88Å; N74-C78 PolarHBondContact O-SG 3.16Å; L75-C78 PolarHBondContact O-N 3.09Å; C78-L80 VanDerWaalsContact C-N 3.33Å; C78-L80 PolarHBondContact O-N 3.37Å; C78-G81 WeakPolarHBondContact O-CA 3.33Å; C78-G81 PolarHBondContact O-N 2.81Å; C78-G81 VanDerWaalsContact O-N 3.12Å; C78-I82 PolarHBondContact O-N 2.63Å; C78-F116 HydrophobicContact CB-CB 4.43Å; C78-F116 HydrophobicContact CB-CD1 4.48Å; C78-F116 WeakPolarHBondContact O-CB 3.5Å; C78-S120 WeakPolarHBondContact CB-OG 3.33Å |
| 79 | D | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.4 | -36.1 | -179.7 | -68.1 | -23.3 | 0 | 0 | 0 | 112.7 | N51 L75 S83 S120 A299 N302 | N51-D79 WeakPolarHBondContact ND2-CB 3.5Å; L75-D79 PolarHBondContact O-N 3.34Å; D79-S83 WeakPolarHBondContact O-CB 3.25Å; D79-S83 PolarHBondContact O-N 2.93Å; D79-S83 VanDerWaalsContact O-N 3.11Å; D79-S83 PolarHBondContact O-OG 3.23Å; D79-S120 PolarHBondContact OD1-OG 3.3Å; D79-A299 HydrophobicContact CB-CB 3.94Å; D79-N302 PolarHBondContact OD2-ND2 3.08Å |
| 80 | L | 96.2 | Very high | 94.8 | Very high | 40 Ų | 40 | 23.5 Ų | 23.5 | 21% | 0.209 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 172.7 | -172.5 | 65.9 | 0 | 0 | 0 | 111.1 | T48 N51 L55 A76 V77 C78 S83 V84 | T48-L80 HydrophobicContact CG2-CD1 3.87Å; N51-L80 HydrophobicContact CB-CB 4.31Å; L55-L80 HydrophobicContact CD1-CD2 3.73Å; A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 PolarHBondContact O-N 2.85Å; V77-L80 PolarHBondContact O-N 2.9Å; C78-L80 VanDerWaalsContact C-N 3.33Å; C78-L80 PolarHBondContact O-N 3.37Å; L80-S83 PolarHBondContact O-N 2.94Å; L80-S83 VanDerWaalsContact O-N 3.1Å; L80-V84 HydrophobicContact CD1-CG2 3.79Å; L80-V84 HydrophobicContact CG-CG2 4.05Å; L80-V84 WeakPolarHBondContact O-CB 3.41Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.22Å |
| 81 | G | 96 | Very high | 95.1 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 9% | 0.093 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V77 C78 S83 V85 | V77-G81 PolarHBondContact O-N 3.07Å; C78-G81 WeakPolarHBondContact O-CA 3.33Å; C78-G81 PolarHBondContact O-N 2.81Å; C78-G81 VanDerWaalsContact O-N 3.12Å; G81-S83 PolarHBondContact O-N 3.46Å; G81-V85 VanDerWaalsContact O-CB 3.29Å; G81-V85 WeakPolarHBondContact O-CB 3.46Å; G81-V85 PolarHBondContact O-N 3.45Å |
| 82 | I | 94.6 | Very high | 95.4 | Very high | 23 Ų | 23 | 27.5 Ų | 27.5 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -56.8 | -41.5 | 173.8 | -64.4 | 174.9 | 0 | 0 | 0 | 110.7 | C78 G86 K87 F116 | C78-I82 PolarHBondContact O-N 2.63Å; I82-G86 VanDerWaalsContact O-CA 3.25Å; I82-G86 WeakPolarHBondContact O-CA 3.13Å; I82-G86 PolarHBondContact O-N 3.25Å; I82-K87 PolarHBondContact O-N 3.36Å; I82-K87 VanDerWaalsContact O-N 3.09Å; I82-F116 HydrophobicContact CD1-CB 4.07Å; I82-F116 HydrophobicContact CG1-CB 3.43Å; I82-F116 VanDerWaalsContact CG1-CB 3.43Å; I82-F116 HydrophobicContact CG1-CG 4.35Å |
| 83 | S | 95.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -76.2 | -37.5 | -173 | -60.7 | 0 | 0 | 0 | 0 | 114 | S47 T48 D79 L80 G81 K87 P88 | S47-S83 VanDerWaalsContact CB-OG 3.25Å; S47-S83 WeakPolarHBondContact CB-OG 3.18Å; S47-S83 PolarHBondContact OG-OG 2.8Å; T48-S83 WeakPolarHBondContact OG1-CB 3.47Å; D79-S83 WeakPolarHBondContact O-CB 3.25Å; D79-S83 PolarHBondContact O-N 2.93Å; D79-S83 VanDerWaalsContact O-N 3.11Å; D79-S83 PolarHBondContact O-OG 3.23Å; L80-S83 PolarHBondContact O-N 2.94Å; L80-S83 VanDerWaalsContact O-N 3.1Å; G81-S83 PolarHBondContact O-N 3.46Å; S83-K87 WeakPolarHBondContact O-CB 3.35Å; S83-K87 VanDerWaalsContact OG-CE 3.29Å; S83-K87 WeakPolarHBondContact OG-CE 3.48Å; S83-P88 WeakPolarHBondContact O-CD 3.33Å |
| 84 | V | 95.1 | Very high | 96 | Very high | 81 Ų | 81 | 23.6 Ų | 23.6 | 49% | 0.491 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -89 | -40.5 | -177.5 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | T48 L80 P88 | T48-V84 HydrophobicContact CG2-CG2 4.22Å; L80-V84 HydrophobicContact CD1-CG2 3.79Å; L80-V84 HydrophobicContact CG-CG2 4.05Å; L80-V84 WeakPolarHBondContact O-CB 3.41Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.22Å; V84-P88 WeakPolarHBondContact O-CD 3.32Å; V84-P88 WeakPolarHBondContact O-CG 3.43Å |
| 85 | V | 93.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 27 Ų | 27 | 26% | 0.255 | 15% | 0.149 | S | C | . | . | I | π-helix | trans | -94.8 | -27.2 | -173.6 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | G81 F89 W108 A112 F116 | G81-V85 VanDerWaalsContact O-CB 3.29Å; G81-V85 WeakPolarHBondContact O-CB 3.46Å; G81-V85 PolarHBondContact O-N 3.45Å; V85-F89 WeakPolarHBondContact O-CD2 3.38Å; V85-F89 WeakPolarHBondContact O-CE2 3.49Å; V85-W108 HydrophobicContact CG1-CZ2 3.91Å; V85-A112 HydrophobicContact CG1-CB 4.08Å; V85-F116 HydrophobicContact CB-CE2 4.43Å; V85-F116 HydrophobicContact CG2-CE2 4.48Å |
| 86 | G | 91.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -94.9 | -64.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I82 P88 F89 Y109 | I82-G86 VanDerWaalsContact O-CA 3.25Å; I82-G86 WeakPolarHBondContact O-CA 3.13Å; I82-G86 PolarHBondContact O-N 3.25Å; G86-P88 VanDerWaalsContact C-CD 3.42Å; G86-P88 VanDerWaalsContact O-N 3.16Å; G86-F89 PolarHBondContact O-N 3.31Å; G86-F89 VanDerWaalsContact O-N 3.14Å; G86-Y109 VanDerWaalsContact O-CE2 3.23Å; G86-Y109 WeakPolarHBondContact O-CE2 3.18Å |
| 87 | K | 94.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53 | -40.6 | -166.1 | -63.9 | 178.6 | -172.2 | -66.9 | 0 | 115.6 | I82 S83 F89 T90 I91 K296 | I82-K87 PolarHBondContact O-N 3.36Å; I82-K87 VanDerWaalsContact O-N 3.09Å; S83-K87 WeakPolarHBondContact O-CB 3.35Å; S83-K87 VanDerWaalsContact OG-CE 3.29Å; S83-K87 WeakPolarHBondContact OG-CE 3.48Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.49Å; K87-T90 WeakPolarHBondContact O-CG2 3.36Å; K87-T90 PolarHBondContact O-N 3.26Å; K87-I91 HydrophobicContact CB-CD1 4.1Å; K87-I91 WeakPolarHBondContact O-CB 3.28Å; K87-I91 WeakPolarHBondContact O-CD1 3.4Å; K87-I91 WeakPolarHBondContact O-CG1 3.44Å; K87-I91 PolarHBondContact O-N 2.8Å; K87-K296 PolarHBondContact NZ-O 3.21Å |
| 88 | P | 96.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 33% | 0.331 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.8 | -38.9 | -179.7 | -28.4 | 37.3 | 0 | 0 | 0 | 113.6 | S83 V84 G86 I91 I92 | S83-P88 WeakPolarHBondContact O-CD 3.33Å; V84-P88 WeakPolarHBondContact O-CD 3.32Å; V84-P88 WeakPolarHBondContact O-CG 3.43Å; G86-P88 VanDerWaalsContact C-CD 3.42Å; G86-P88 VanDerWaalsContact O-N 3.16Å; P88-I91 PolarHBondContact O-N 2.9Å; P88-I92 WeakPolarHBondContact O-CB 3.43Å; P88-I92 WeakPolarHBondContact O-CD1 3.4Å; P88-I92 VanDerWaalsContact O-CG1 3.25Å; P88-I92 WeakPolarHBondContact O-CG1 3.47Å; P88-I92 PolarHBondContact O-N 2.98Å |
| 89 | F | 97.3 | Very high | 96.1 | Very high | 50 Ų | 50 | 34.6 Ų | 34.6 | 22% | 0.219 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | -179.2 | -72 | -107.3 | 0 | 0 | 0 | 112 | V85 G86 K87 S93 W99 F101 Y109 | V85-F89 WeakPolarHBondContact O-CD2 3.38Å; V85-F89 WeakPolarHBondContact O-CE2 3.49Å; G86-F89 PolarHBondContact O-N 3.31Å; G86-F89 VanDerWaalsContact O-N 3.14Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.49Å; F89-S93 WeakPolarHBondContact O-CB 3.19Å; F89-S93 PolarHBondContact O-N 2.93Å; F89-S93 PolarHBondContact O-OG 3.42Å; F89-W99 HydrophobicContact CB-CH2 3.81Å; F89-W99 HydrophobicContact CB-CZ3 4.2Å; F89-W99 HydrophobicContact CD1-CH2 4.32Å; F89-W99 HydrophobicContact CD1-CZ2 4.48Å; F89-F101 HydrophobicContact CB-CD2 4.21Å; F89-F101 HydrophobicContact CB-CE2 3.93Å; F89-F101 HydrophobicContact CB-CZ 4.4Å; F89-F101 HydrophobicContact CD1-CB 4.23Å; F89-F101 AromaticContact CD1-CD1 3.66Å; F89-F101 HydrophobicContact CD1-CD1 3.66Å; F89-F101 AromaticContact CD1-CD2 3.62Å; F89-F101 HydrophobicContact CD1-CD2 3.62Å; F89-F101 AromaticContact CD1-CE1 3.84Å; F89-F101 HydrophobicContact CD1-CE1 3.84Å; F89-F101 AromaticContact CD1-CE2 3.82Å; F89-F101 HydrophobicContact CD1-CE2 3.82Å; F89-F101 AromaticContact CD1-CG 3.54Å; F89-F101 HydrophobicContact CD1-CG 3.54Å; F89-F101 AromaticContact CD1-CZ 3.91Å; F89-F101 HydrophobicContact CD1-CZ 3.91Å; F89-F101 HydrophobicContact CE1-CB 4.49Å; F89-F101 AromaticContact CE1-CD1 3.72Å; F89-F101 HydrophobicContact CE1-CD1 3.72Å; F89-F101 HydrophobicContact CE1-CD2 4.47Å; F89-F101 HydrophobicContact CE1-CE1 4Å; F89-F101 AromaticContact CE1-CG 3.97Å; F89-F101 HydrophobicContact CE1-CG 3.97Å; F89-F101 HydrophobicContact CG-CD2 4.34Å; F89-F101 HydrophobicContact CG-CE2 4.19Å; F89-F101 HydrophobicContact CG-CZ 4.3Å; F89-F101 VanDerWaalsContact O-CE2 3.32Å; F89-F101 WeakPolarHBondContact O-CE2 3.41Å; F89-Y109 HydrophobicContact CB-CD2 3.74Å; F89-Y109 HydrophobicContact CB-CE2 4.16Å; F89-Y109 HydrophobicContact CG-CD2 4.35Å |
| 90 | T | 96.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.7 | -33.8 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | L40 K87 S93 C94 Y109 T181 | L40-T90 HydrophobicContact CD1-CG2 3.9Å; K87-T90 WeakPolarHBondContact O-CG2 3.36Å; K87-T90 PolarHBondContact O-N 3.26Å; T90-S93 PolarHBondContact O-N 3.19Å; T90-C94 PolarHBondContact O-N 3Å; T90-C94 PolarHBondContact O-SG 3.37Å; T90-Y109 WeakPolarHBondContact CB-OH 3.21Å; T90-Y109 HydrophobicContact CG2-CE2 4.1Å; T90-Y109 WeakPolarHBondContact CG2-OH 3.31Å; T90-T181 PolarHBondContact OG1-O 3.4Å |
| 91 | I | 97.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 39 Ų | 39 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -50.9 | 174.7 | -69.4 | 163.3 | 0 | 0 | 0 | 110.6 | L40 T41 K87 P88 S93 C94 F95 | L40-I91 HydrophobicContact CB-CD1 4.36Å; L40-I91 HydrophobicContact CB-CG1 3.61Å; T41-I91 WeakPolarHBondContact OG1-CG2 3.46Å; K87-I91 HydrophobicContact CB-CD1 4.1Å; K87-I91 WeakPolarHBondContact O-CB 3.28Å; K87-I91 WeakPolarHBondContact O-CD1 3.4Å; K87-I91 WeakPolarHBondContact O-CG1 3.44Å; K87-I91 PolarHBondContact O-N 2.8Å; P88-I91 PolarHBondContact O-N 2.9Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.29Å; I91-C94 PolarHBondContact O-N 3.28Å; I91-F95 HydrophobicContact CG2-CD2 3.82Å; I91-F95 HydrophobicContact CG2-CE2 3.53Å; I91-F95 WeakPolarHBondContact O-CD2 3.42Å; I91-F95 PolarHBondContact O-N 3.48Å; I91-F95 VanDerWaalsContact O-N 3.15Å |
| 92 | I | 98 | Very high | 96.2 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 40% | 0.4 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59 | -44.3 | 177.5 | -68.4 | 164.4 | 0 | 0 | 0 | 109.7 | P88 C94 F95 C96 V100 F101 | P88-I92 WeakPolarHBondContact O-CB 3.43Å; P88-I92 WeakPolarHBondContact O-CD1 3.4Å; P88-I92 VanDerWaalsContact O-CG1 3.25Å; P88-I92 WeakPolarHBondContact O-CG1 3.47Å; P88-I92 PolarHBondContact O-N 2.98Å; I92-C94 PolarHBondContact O-N 2.96Å; I92-F95 PolarHBondContact O-N 2.94Å; I92-C96 WeakPolarHBondContact O-CB 3.38Å; I92-C96 PolarHBondContact O-N 3.38Å; I92-C96 PolarHBondContact O-SG 3.48Å; I92-C96 VanDerWaalsContact O-SG 3.35Å; I92-V100 HydrophobicContact CG2-CG2 3.98Å; I92-F101 HydrophobicContact CB-CE2 4.25Å; I92-F101 HydrophobicContact CB-CZ 4.05Å; I92-F101 HydrophobicContact CD1-CZ 3.92Å; I92-F101 HydrophobicContact CG2-CE2 4.23Å; I92-F101 HydrophobicContact CG2-CZ 3.95Å |
| 93 | S | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | -179.2 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | F89 T90 I91 C96 H97 R98 T181 | F89-S93 WeakPolarHBondContact O-CB 3.19Å; F89-S93 PolarHBondContact O-N 2.93Å; F89-S93 PolarHBondContact O-OG 3.42Å; T90-S93 PolarHBondContact O-N 3.19Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.29Å; S93-C96 PolarHBondContact O-N 3.27Å; S93-H97 PolarHBondContact O-N 3.18Å; S93-H97 VanDerWaalsContact O-N 3.07Å; S93-R98 CarbonylContact C-O 3.52Å; S93-R98 WeakPolarHBondContact CA-O 3.42Å; S93-R98 VanDerWaalsContact CB-O 3.31Å; S93-R98 WeakPolarHBondContact CB-O 3.32Å; S93-R98 PolarHBondContact O-N 3.44Å; S93-R98 VanDerWaalsContact O-O 3.09Å; S93-T181 WeakPolarHBondContact CB-O 3.48Å |
| 94 | C | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 172.6 | -75.1 | 0 | 0 | 0 | 0 | 111.3 | D33 T90 I91 I92 C96 H97 | D33-C94 WeakPolarHBondContact CB-O 3.26Å; D33-C94 WeakPolarHBondContact O-CB 3.28Å; T90-C94 PolarHBondContact O-N 3Å; T90-C94 PolarHBondContact O-SG 3.37Å; I91-C94 PolarHBondContact O-N 3.28Å; I92-C94 PolarHBondContact O-N 2.96Å; C94-C96 VanDerWaalsContact C-N 3.29Å; C94-C96 PolarHBondContact O-N 3.29Å; C94-H97 PolarHBondContact O-N 3.37Å |
| 95 | F | 98 | Very high | 96.4 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.3 | -25.6 | 179.8 | -68.4 | -57.4 | 0 | 0 | 0 | 113.9 | F38 I91 I92 H97 | F38-F95 HydrophobicContact CD2-CE1 4.3Å; F38-F95 HydrophobicContact CE2-CE1 4.26Å; F38-F95 HydrophobicContact CG-CZ 4.5Å; I91-F95 HydrophobicContact CG2-CD2 3.82Å; I91-F95 HydrophobicContact CG2-CE2 3.53Å; I91-F95 WeakPolarHBondContact O-CD2 3.42Å; I91-F95 PolarHBondContact O-N 3.48Å; I91-F95 VanDerWaalsContact O-N 3.15Å; I92-F95 PolarHBondContact O-N 2.94Å; F95-H97 VanDerWaalsContact C-N 3.3Å |
| 96 | C | 97.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 45% | 0.453 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.9 | 172.6 | -67 | 0 | 0 | 0 | 0 | 113.4 | I92 S93 C94 R98 V100 | I92-C96 WeakPolarHBondContact O-CB 3.38Å; I92-C96 PolarHBondContact O-N 3.38Å; I92-C96 PolarHBondContact O-SG 3.48Å; I92-C96 VanDerWaalsContact O-SG 3.35Å; S93-C96 PolarHBondContact O-N 3.27Å; C94-C96 VanDerWaalsContact C-N 3.29Å; C94-C96 PolarHBondContact O-N 3.29Å; C96-R98 PolarHBondContact O-N 2.97Å; C96-R98 VanDerWaalsContact O-N 3.12Å; C96-V100 HydrophobicContact CB-CG1 3.82Å |
| 97 | H | 96.7 | Very high | 96.8 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 28 | -174.7 | -161.3 | 59.2 | 0 | 0 | 0 | 113.5 | S26 L28 W30 D33 S93 C94 F95 | S26-H97 WeakPolarHBondContact CB-O 3.35Å; S26-H97 PolarHBondContact N-O 3.39Å; S26-H97 VanDerWaalsContact N-O 3.13Å; L28-H97 PolarHBondContact O-CE1 2.97Å; W30-H97 HydrophobicContact CE3-CB 3.79Å; W30-H97 HydrophobicContact CZ3-CB 3.83Å; D33-H97 IonicContact OD2-CE1 3.28Å; D33-H97 PolarHBondContact OD2-CE1 3.05Å; D33-H97 VanDerWaalsContact OD2-CE1 3.28Å; D33-H97 IonicContact OD2-CG 3.73Å; D33-H97 IonicContact OD2-ND1 2.66Å; D33-H97 PolarHBondContact OD2-ND1 3.42Å; S93-H97 PolarHBondContact O-N 3.18Å; S93-H97 VanDerWaalsContact O-N 3.07Å; C94-H97 PolarHBondContact O-N 3.37Å; F95-H97 VanDerWaalsContact C-N 3.3Å |
| 98 | R | 95.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 54.7 Ų | 54.7 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -169.7 | 146.2 | -172.2 | -169.6 | -159.6 | 168.6 | 97.4 | 19.1 | 110.7 | D22 F24 S93 C96 V100 | D22-R98 IonicContact OD1-CZ 3.63Å; D22-R98 IonicContact OD1-NH1 3.96Å; D22-R98 IonicContact OD1-NH2 2.88Å; D22-R98 PolarHBondContact OD1-NH2 3.48Å; D22-R98 IonicContact OD2-CZ 2.94Å; D22-R98 IonicContact OD2-NH1 2.54Å; D22-R98 PolarHBondContact OD2-NH1 2.98Å; D22-R98 IonicContact OD2-NH2 2.85Å; D22-R98 PolarHBondContact OD2-NH2 3.14Å; F24-R98 HydrophobicContact CB-CG 4.28Å; F24-R98 CarbonylContact O-C 3.47Å; F24-R98 VanDerWaalsContact O-CA 3.24Å; F24-R98 WeakPolarHBondContact O-CA 3.43Å; F24-R98 WeakPolarHBondContact O-CG 3.23Å; S93-R98 CarbonylContact C-O 3.52Å; S93-R98 WeakPolarHBondContact CA-O 3.42Å; S93-R98 VanDerWaalsContact CB-O 3.31Å; S93-R98 WeakPolarHBondContact CB-O 3.32Å; S93-R98 PolarHBondContact O-N 3.44Å; S93-R98 VanDerWaalsContact O-O 3.09Å; C96-R98 PolarHBondContact O-N 2.97Å; C96-R98 VanDerWaalsContact O-N 3.12Å; R98-V100 PolarHBondContact O-N 3.42Å |
| 99 | W | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | trans | -70.6 | 116.6 | 162 | -174.7 | -95.2 | 0 | 0 | 0 | 112.3 | F24 F89 F101 G102 C106 Y109 G180 | F24-W99 HydrophobicContact CB-CB 3.87Å; F24-W99 HydrophobicContact CD1-CB 3.59Å; F24-W99 AromaticContact CD1-CD1 3.39Å; F24-W99 AromaticContact CD1-CG 3.71Å; F24-W99 HydrophobicContact CD1-CG 3.71Å; F24-W99 HydrophobicContact CE1-CB 4.46Å; F24-W99 AromaticContact CE1-CD1 3.45Å; F24-W99 VanDerWaalsContact CE1-CD1 3.45Å; F24-W99 HydrophobicContact CE1-CG 4.12Å; F24-W99 HydrophobicContact CG-CB 4.03Å; F24-W99 HydrophobicContact CG-CG 4.41Å; F24-W99 PolarHBondContact O-N 2.91Å; F89-W99 HydrophobicContact CB-CH2 3.81Å; F89-W99 HydrophobicContact CB-CZ3 4.2Å; F89-W99 HydrophobicContact CD1-CH2 4.32Å; F89-W99 HydrophobicContact CD1-CZ2 4.48Å; W99-F101 HydrophobicContact CD2-CD2 4.31Å; W99-F101 HydrophobicContact CH2-CD2 4.16Å; W99-F101 HydrophobicContact CZ2-CB 3.89Å; W99-F101 AromaticContact CZ2-CD2 3.93Å; W99-F101 HydrophobicContact CZ2-CD2 3.93Å; W99-F101 HydrophobicContact CZ2-CG 4.31Å; W99-F101 HydrophobicContact CZ3-CD2 4.44Å; W99-G102 PolarHBondContact NE1-O 3.48Å; W99-C106 HydrophobicContact CZ2-CB 4.34Å; W99-Y109 HydrophobicContact CH2-CD1 4.12Å; W99-Y109 AromaticContact CH2-CD2 3.78Å; W99-Y109 HydrophobicContact CH2-CD2 3.78Å; W99-Y109 HydrophobicContact CH2-CE2 4.46Å; W99-Y109 AromaticContact CH2-CG 3.56Å; W99-Y109 HydrophobicContact CH2-CG 3.56Å; W99-Y109 HydrophobicContact CZ2-CG 4.43Å; W99-Y109 HydrophobicContact CZ3-CD1 4.5Å; W99-Y109 HydrophobicContact CZ3-CD2 4.31Å; W99-Y109 HydrophobicContact CZ3-CG 4.25Å; W99-G180 WeakPolarHBondContact CB-O 3.42Å; W99-G180 PolarHBondContact N-O 3.01Å | ||
| 100 | V | 96.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | trans | -99.9 | -9.2 | -173.8 | -62.6 | 0 | 0 | 0 | 0 | 114.5 | I92 C96 R98 G102 | I92-V100 HydrophobicContact CG2-CG2 3.98Å; C96-V100 HydrophobicContact CB-CG1 3.82Å; R98-V100 PolarHBondContact O-N 3.42Å; V100-G102 VanDerWaalsContact C-N 3.34Å; V100-G102 PolarHBondContact O-N 3.42Å | ||
| 101 | F | 96.8 | Very high | 97 | Very high | 61 Ų | 61 | 52.7 Ų | 52.7 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -91.9 | 6.4 | -172 | -54.9 | -83.7 | 0 | 0 | 0 | 114.1 | F89 I92 W99 G105 | F89-F101 HydrophobicContact CB-CD2 4.21Å; F89-F101 HydrophobicContact CB-CE2 3.93Å; F89-F101 HydrophobicContact CB-CZ 4.4Å; F89-F101 HydrophobicContact CD1-CB 4.23Å; F89-F101 AromaticContact CD1-CD1 3.66Å; F89-F101 HydrophobicContact CD1-CD1 3.66Å; F89-F101 AromaticContact CD1-CD2 3.62Å; F89-F101 HydrophobicContact CD1-CD2 3.62Å; F89-F101 AromaticContact CD1-CE1 3.84Å; F89-F101 HydrophobicContact CD1-CE1 3.84Å; F89-F101 AromaticContact CD1-CE2 3.82Å; F89-F101 HydrophobicContact CD1-CE2 3.82Å; F89-F101 AromaticContact CD1-CG 3.54Å; F89-F101 HydrophobicContact CD1-CG 3.54Å; F89-F101 AromaticContact CD1-CZ 3.91Å; F89-F101 HydrophobicContact CD1-CZ 3.91Å; F89-F101 HydrophobicContact CE1-CB 4.49Å; F89-F101 AromaticContact CE1-CD1 3.72Å; F89-F101 HydrophobicContact CE1-CD1 3.72Å; F89-F101 HydrophobicContact CE1-CD2 4.47Å; F89-F101 HydrophobicContact CE1-CE1 4Å; F89-F101 AromaticContact CE1-CG 3.97Å; F89-F101 HydrophobicContact CE1-CG 3.97Å; F89-F101 HydrophobicContact CG-CD2 4.34Å; F89-F101 HydrophobicContact CG-CE2 4.19Å; F89-F101 HydrophobicContact CG-CZ 4.3Å; F89-F101 VanDerWaalsContact O-CE2 3.32Å; F89-F101 WeakPolarHBondContact O-CE2 3.41Å; I92-F101 HydrophobicContact CB-CE2 4.25Å; I92-F101 HydrophobicContact CB-CZ 4.05Å; I92-F101 HydrophobicContact CD1-CZ 3.92Å; I92-F101 HydrophobicContact CG2-CE2 4.23Å; I92-F101 HydrophobicContact CG2-CZ 3.95Å; W99-F101 HydrophobicContact CD2-CD2 4.31Å; W99-F101 HydrophobicContact CH2-CD2 4.16Å; W99-F101 HydrophobicContact CZ2-CB 3.89Å; W99-F101 AromaticContact CZ2-CD2 3.93Å; W99-F101 HydrophobicContact CZ2-CD2 3.93Å; W99-F101 HydrophobicContact CZ2-CG 4.31Å; W99-F101 HydrophobicContact CZ3-CD2 4.44Å; F101-G105 WeakPolarHBondContact O-CA 3.5Å; F101-G105 PolarHBondContact O-N 3.39Å |
| 102 | G | 96.1 | Very high | 97 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | 58.9 | -169.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W99 V100 G105 C106 | W99-G102 PolarHBondContact NE1-O 3.48Å; V100-G102 VanDerWaalsContact C-N 3.34Å; V100-G102 PolarHBondContact O-N 3.42Å; G102-G105 PolarHBondContact O-N 2.81Å; G102-C106 VanDerWaalsContact O-CB 3.31Å; G102-C106 WeakPolarHBondContact O-CB 3.16Å; G102-C106 PolarHBondContact O-N 2.97Å |
| 103 | W | 95.2 | Very high | 96.9 | Very high | 101 Ų | 101 | 48.8 Ų | 48.8 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -37.6 | -177.4 | -74.1 | 105.6 | 0 | 0 | 0 | 113.7 | Y17 P23 F24 C106 R107 P176 | Y17-W103 AromaticContact CD2-CH2 3.9Å; Y17-W103 HydrophobicContact CD2-CH2 3.9Å; Y17-W103 HydrophobicContact CE2-CH2 4.42Å; Y17-W103 HydrophobicContact CG-CH2 4.44Å; P23-W103 HydrophobicContact CG-CZ2 3.91Å; F24-W103 AromaticContact CE2-CD1 3.82Å; F24-W103 HydrophobicContact CE2-CD2 4.19Å; F24-W103 AromaticContact CE2-CE2 3.86Å; F24-W103 HydrophobicContact CE2-CG 4.17Å; F24-W103 HydrophobicContact CE2-CZ2 4.45Å; F24-W103 AromaticContact CE2-NE1 3.61Å; F24-W103 HydrophobicContact CZ-CB 4.49Å; F24-W103 AromaticContact CZ-CD1 3.9Å; F24-W103 AromaticContact CZ-CD2 3.58Å; F24-W103 HydrophobicContact CZ-CD2 3.58Å; F24-W103 AromaticContact CZ-CE2 3.61Å; F24-W103 HydrophobicContact CZ-CE3 4.09Å; F24-W103 AromaticContact CZ-CG 3.77Å; F24-W103 HydrophobicContact CZ-CG 3.77Å; F24-W103 HydrophobicContact CZ-CZ2 4.16Å; F24-W103 AromaticContact CZ-NE1 3.8Å; W103-C106 WeakPolarHBondContact O-CB 3.34Å; W103-C106 PolarHBondContact O-N 2.85Å; W103-R107 PolarHBondContact O-N 3.45Å; W103-P176 HydrophobicContact CH2-CG 4.19Å; W103-P176 HydrophobicContact CZ3-CG 4.26Å |
| 104 | I | 96.2 | Very high | 96.8 | Very high | 142 Ų | 142 | 50.5 Ų | 50.5 | 73% | 0.728 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.4 | -45.5 | 178 | -173.4 | 60.3 | 0 | 0 | 0 | 111.4 | C106 R107 W108 | I104-C106 VanDerWaalsContact C-N 3.3Å; I104-C106 PolarHBondContact O-N 3.49Å; I104-R107 PolarHBondContact O-N 3.46Å; I104-W108 WeakPolarHBondContact O-CB 3.24Å; I104-W108 PolarHBondContact O-N 2.88Å |
| 105 | G | 96.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F101 G102 W108 Y109 | F101-G105 WeakPolarHBondContact O-CA 3.5Å; F101-G105 PolarHBondContact O-N 3.39Å; G102-G105 PolarHBondContact O-N 2.81Å; G105-W108 PolarHBondContact O-N 2.74Å; G105-Y109 WeakPolarHBondContact O-CB 3.37Å; G105-Y109 PolarHBondContact O-N 2.88Å |
| 106 | C | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 177.9 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | F24 W99 G102 W103 I104 Y109 G110 C183 | F24-C106 HydrophobicContact CE1-CB 4.21Å; W99-C106 HydrophobicContact CZ2-CB 4.34Å; G102-C106 VanDerWaalsContact O-CB 3.31Å; G102-C106 WeakPolarHBondContact O-CB 3.16Å; G102-C106 PolarHBondContact O-N 2.97Å; W103-C106 WeakPolarHBondContact O-CB 3.34Å; W103-C106 PolarHBondContact O-N 2.85Å; I104-C106 VanDerWaalsContact C-N 3.3Å; I104-C106 PolarHBondContact O-N 3.49Å; C106-Y109 PolarHBondContact O-N 3.48Å; C106-G110 PolarHBondContact O-N 3.26Å; C106-C183 WeakPolarHBondContact CA-SG 3.45Å; C106-C183 HydrophobicContact CB-CB 4Å; C106-C183 WeakPolarHBondContact CB-SG 3.3Å; C106-C183 WeakPolarHBondContact O-CB 3.18Å; C106-C183 WeakPolarHBondContact SG-CB 3.35Å; C106-C183 CovalentContact SG-SG 2.02Å; C106-C183 PolarHBondContact SG-SG 3.27Å |
| 107 | R | 96.9 | Very high | 96.7 | Very high | 102 Ų | 102 | 45.9 Ų | 45.9 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 176 | -72 | -178.8 | 169.3 | 157.2 | 2.1 | 112.3 | W103 I104 G110 W111 L168 D173 | W103-R107 PolarHBondContact O-N 3.45Å; I104-R107 PolarHBondContact O-N 3.46Å; R107-G110 PolarHBondContact O-N 2.84Å; R107-W111 WeakPolarHBondContact O-CB 3.41Å; R107-W111 PolarHBondContact O-N 2.92Å; R107-L168 HydrophobicContact CB-CD2 4.28Å; R107-D173 IonicContact CZ-OD1 3.37Å; R107-D173 IonicContact CZ-OD2 2.88Å; R107-D173 IonicContact NE-OD1 2.8Å; R107-D173 PolarHBondContact NE-OD1 2.96Å; R107-D173 IonicContact NE-OD2 3.85Å; R107-D173 IonicContact NH2-OD1 3.53Å; R107-D173 PolarHBondContact NH2-OD1 2.93Å; R107-D173 IonicContact NH2-OD2 3.78Å; R107-D173 PolarHBondContact NH2-OD2 3.02Å |
| 108 | W | 97.1 | Very high | 96.7 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 46% | 0.462 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.1 | 173.4 | -103.4 | 0 | 0 | 0 | 112.2 | V85 I104 G105 W111 A112 | V85-W108 HydrophobicContact CG1-CZ2 3.91Å; I104-W108 WeakPolarHBondContact O-CB 3.24Å; I104-W108 PolarHBondContact O-N 2.88Å; G105-W108 PolarHBondContact O-N 2.74Å; W108-W111 AromaticContact CE3-CE3 3.9Å; W108-W111 HydrophobicContact CE3-CE3 3.9Å; W108-W111 HydrophobicContact CE3-CZ3 4.26Å; W108-W111 HydrophobicContact CH2-CE3 4.13Å; W108-W111 AromaticContact CH2-CZ3 3.67Å; W108-W111 HydrophobicContact CH2-CZ3 3.67Å; W108-W111 HydrophobicContact CZ2-CZ3 4.43Å; W108-W111 AromaticContact CZ3-CE3 3.67Å; W108-W111 HydrophobicContact CZ3-CE3 3.67Å; W108-W111 AromaticContact CZ3-CZ3 3.56Å; W108-W111 HydrophobicContact CZ3-CZ3 3.56Å; W108-W111 PolarHBondContact O-N 2.96Å; W108-A112 WeakPolarHBondContact O-CB 3.28Å; W108-A112 PolarHBondContact O-N 2.88Å |
| 109 | Y | 97.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 178.7 | 174.8 | -88 | 0 | 0 | 0 | 111.8 | G86 F89 T90 W99 G105 C106 W111 A112 G113 C183 K296 | G86-Y109 VanDerWaalsContact O-CE2 3.23Å; G86-Y109 WeakPolarHBondContact O-CE2 3.18Å; F89-Y109 HydrophobicContact CB-CD2 3.74Å; F89-Y109 HydrophobicContact CB-CE2 4.16Å; F89-Y109 HydrophobicContact CG-CD2 4.35Å; T90-Y109 WeakPolarHBondContact CB-OH 3.21Å; T90-Y109 HydrophobicContact CG2-CE2 4.1Å; T90-Y109 WeakPolarHBondContact CG2-OH 3.31Å; W99-Y109 HydrophobicContact CH2-CD1 4.12Å; W99-Y109 AromaticContact CH2-CD2 3.78Å; W99-Y109 HydrophobicContact CH2-CD2 3.78Å; W99-Y109 HydrophobicContact CH2-CE2 4.46Å; W99-Y109 AromaticContact CH2-CG 3.56Å; W99-Y109 HydrophobicContact CH2-CG 3.56Å; W99-Y109 HydrophobicContact CZ2-CG 4.43Å; W99-Y109 HydrophobicContact CZ3-CD1 4.5Å; W99-Y109 HydrophobicContact CZ3-CD2 4.31Å; W99-Y109 HydrophobicContact CZ3-CG 4.25Å; G105-Y109 WeakPolarHBondContact O-CB 3.37Å; G105-Y109 PolarHBondContact O-N 2.88Å; C106-Y109 PolarHBondContact O-N 3.48Å; Y109-W111 VanDerWaalsContact C-N 3.32Å; Y109-W111 PolarHBondContact O-N 3.09Å; Y109-A112 PolarHBondContact O-N 2.83Å; Y109-G113 PolarHBondContact O-N 2.68Å; Y109-C183 HydrophobicContact CD1-CB 3.94Å; Y109-C183 VanDerWaalsContact CD1-O 3.23Å; Y109-C183 WeakPolarHBondContact CD1-O 3.21Å; Y109-C183 WeakPolarHBondContact CE1-O 3.45Å; Y109-K296 PolarHBondContact OH-NZ 3.27Å |
| 110 | G | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | C106 R107 F114 Y174 | C106-G110 PolarHBondContact O-N 3.26Å; R107-G110 PolarHBondContact O-N 2.84Å; G110-F114 WeakPolarHBondContact O-CB 3.44Å; G110-F114 PolarHBondContact O-N 3.5Å; G110-Y174 VanDerWaalsContact C-CD1 3.48Å; G110-Y174 WeakPolarHBondContact O-CE1 3.48Å |
| 111 | W | 97.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 17% | 0.167 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -54.5 | 174.9 | 178.4 | 81.5 | 0 | 0 | 0 | 112.4 | R107 W108 Y109 G113 F114 F115 T164 L168 Y174 | R107-W111 WeakPolarHBondContact O-CB 3.41Å; R107-W111 PolarHBondContact O-N 2.92Å; W108-W111 AromaticContact CE3-CE3 3.9Å; W108-W111 HydrophobicContact CE3-CE3 3.9Å; W108-W111 HydrophobicContact CE3-CZ3 4.26Å; W108-W111 HydrophobicContact CH2-CE3 4.13Å; W108-W111 AromaticContact CH2-CZ3 3.67Å; W108-W111 HydrophobicContact CH2-CZ3 3.67Å; W108-W111 HydrophobicContact CZ2-CZ3 4.43Å; W108-W111 AromaticContact CZ3-CE3 3.67Å; W108-W111 HydrophobicContact CZ3-CE3 3.67Å; W108-W111 AromaticContact CZ3-CZ3 3.56Å; W108-W111 HydrophobicContact CZ3-CZ3 3.56Å; W108-W111 PolarHBondContact O-N 2.96Å; Y109-W111 VanDerWaalsContact C-N 3.32Å; Y109-W111 PolarHBondContact O-N 3.09Å; W111-G113 VanDerWaalsContact C-N 3.33Å; W111-G113 PolarHBondContact O-N 3.27Å; W111-F114 PolarHBondContact O-N 2.96Å; W111-F115 HydrophobicContact CH2-CD1 4.08Å; W111-F115 HydrophobicContact CH2-CE1 4.3Å; W111-F115 HydrophobicContact CH2-CG 4.23Å; W111-F115 HydrophobicContact CZ2-CB 4.35Å; W111-F115 HydrophobicContact CZ2-CD1 4.35Å; W111-F115 HydrophobicContact CZ2-CD2 4.16Å; W111-F115 HydrophobicContact CZ2-CG 4.05Å; W111-F115 WeakPolarHBondContact O-CB 3.4Å; W111-F115 PolarHBondContact O-N 2.86Å; W111-T164 PolarHBondContact NE1-OG1 3.44Å; W111-L168 HydrophobicContact CB-CD1 4.35Å; W111-L168 HydrophobicContact CG-CD1 3.94Å; W111-Y174 VanDerWaalsContact CA-CZ 3.47Å; W111-Y174 WeakPolarHBondContact CA-OH 3.05Å; W111-Y174 HydrophobicContact CB-CD2 4.48Å; W111-Y174 HydrophobicContact CB-CE2 3.84Å |
| 112 | A | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V85 W108 Y109 F115 F116 | V85-A112 HydrophobicContact CG1-CB 4.08Å; W108-A112 WeakPolarHBondContact O-CB 3.28Å; W108-A112 PolarHBondContact O-N 2.88Å; Y109-A112 PolarHBondContact O-N 2.83Å; A112-F115 PolarHBondContact O-N 3.37Å; A112-F116 WeakPolarHBondContact O-CD2 3.45Å; A112-F116 PolarHBondContact O-N 3.44Å; A112-F116 VanDerWaalsContact O-N 3.08Å |
| 113 | G | 95.8 | Very high | 96.8 | Very high | 25 Ų | 25 | 33 Ų | 33 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y109 W111 G117 | Y109-G113 PolarHBondContact O-N 2.68Å; W111-G113 VanDerWaalsContact C-N 3.33Å; W111-G113 PolarHBondContact O-N 3.27Å; G113-G117 PolarHBondContact O-N 3.06Å |
| 114 | F | 96.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 28.3 Ų | 28.3 | 15% | 0.154 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | 178.4 | -174.8 | -150 | 0 | 0 | 0 | 111.7 | G110 W111 G117 C118 T164 Y174 L185 I203 C207 | G110-F114 WeakPolarHBondContact O-CB 3.44Å; G110-F114 PolarHBondContact O-N 3.5Å; W111-F114 PolarHBondContact O-N 2.96Å; F114-G117 PolarHBondContact O-N 2.91Å; F114-C118 HydrophobicContact CD2-CB 4.42Å; F114-C118 HydrophobicContact CE2-CB 4.27Å; F114-C118 WeakPolarHBondContact O-CB 3.49Å; F114-C118 PolarHBondContact O-N 3.27Å; F114-T164 HydrophobicContact CB-CG2 4.04Å; F114-T164 HydrophobicContact CD1-CG2 3.29Å; F114-T164 HydrophobicContact CD2-CG2 4.16Å; F114-T164 HydrophobicContact CE1-CG2 3.65Å; F114-T164 HydrophobicContact CE2-CG2 4.45Å; F114-T164 HydrophobicContact CG-CG2 3.56Å; F114-T164 HydrophobicContact CZ-CG2 4.21Å; F114-Y174 HydrophobicContact CB-CE1 4.25Å; F114-Y174 HydrophobicContact CD1-CE1 4.41Å; F114-Y174 WeakPolarHBondContact CD1-OH 3.15Å; F114-L185 HydrophobicContact CD1-CD1 3.83Å; F114-L185 HydrophobicContact CD1-CD2 3.87Å; F114-L185 HydrophobicContact CD1-CG 4.04Å; F114-L185 HydrophobicContact CD2-CD1 4.3Å; F114-L185 HydrophobicContact CE1-CD1 3.76Å; F114-L185 HydrophobicContact CE1-CD2 4.08Å; F114-L185 HydrophobicContact CE1-CG 4.35Å; F114-L185 HydrophobicContact CE2-CD1 4.23Å; F114-L185 HydrophobicContact CG-CD1 4.13Å; F114-L185 HydrophobicContact CG-CG 4.42Å; F114-L185 HydrophobicContact CZ-CD1 3.98Å; F114-I203 HydrophobicContact CE1-CD1 3.95Å; F114-I203 HydrophobicContact CZ-CD1 3.9Å; F114-I203 HydrophobicContact CZ-CG2 3.98Å; F114-C207 HydrophobicContact CE2-CB 4.18Å; F114-C207 HydrophobicContact CZ-CB 4.1Å |
| 115 | F | 97.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.7 | -53.5 | -177.4 | 174.8 | -110.1 | 0 | 0 | 0 | 112.5 | W111 A112 C118 G119 W157 A160 S161 T164 | W111-F115 HydrophobicContact CH2-CD1 4.08Å; W111-F115 HydrophobicContact CH2-CE1 4.3Å; W111-F115 HydrophobicContact CH2-CG 4.23Å; W111-F115 HydrophobicContact CZ2-CB 4.35Å; W111-F115 HydrophobicContact CZ2-CD1 4.35Å; W111-F115 HydrophobicContact CZ2-CD2 4.16Å; W111-F115 HydrophobicContact CZ2-CG 4.05Å; W111-F115 WeakPolarHBondContact O-CB 3.4Å; W111-F115 PolarHBondContact O-N 2.86Å; A112-F115 PolarHBondContact O-N 3.37Å; F115-C118 PolarHBondContact O-N 2.94Å; F115-G119 PolarHBondContact O-N 2.98Å; F115-W157 AromaticContact CE1-CE3 3.98Å; F115-W157 HydrophobicContact CE1-CE3 3.98Å; F115-W157 HydrophobicContact CE1-CH2 4.49Å; F115-W157 AromaticContact CE1-CZ3 3.46Å; F115-W157 HydrophobicContact CE1-CZ3 3.46Å; F115-W157 VanDerWaalsContact CE1-CZ3 3.46Å; F115-W157 HydrophobicContact CE2-CE3 4.32Å; F115-W157 AromaticContact CZ-CE3 3.44Å; F115-W157 HydrophobicContact CZ-CE3 3.44Å; F115-W157 VanDerWaalsContact CZ-CE3 3.44Å; F115-W157 AromaticContact CZ-CZ3 3.45Å; F115-W157 HydrophobicContact CZ-CZ3 3.45Å; F115-W157 VanDerWaalsContact CZ-CZ3 3.45Å; F115-A160 HydrophobicContact CD2-CB 3.93Å; F115-A160 HydrophobicContact CE2-CB 3.99Å; F115-S161 WeakPolarHBondContact CE2-OG 3.17Å; F115-T164 VanDerWaalsContact CA-CG2 3.44Å; F115-T164 HydrophobicContact CB-CG2 4.05Å; F115-T164 WeakPolarHBondContact CD2-OG1 3.17Å |
| 116 | F | 97.4 | Very high | 96.8 | Very high | 29 Ų | 29 | 23.1 Ų | 23.1 | 13% | 0.127 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71 | -34.1 | 177.7 | -67.2 | -59.9 | 0 | 0 | 0 | 112.2 | C78 I82 V85 A112 G119 S120 W157 | C78-F116 HydrophobicContact CB-CB 4.43Å; C78-F116 HydrophobicContact CB-CD1 4.48Å; C78-F116 WeakPolarHBondContact O-CB 3.5Å; I82-F116 HydrophobicContact CD1-CB 4.07Å; I82-F116 HydrophobicContact CG1-CB 3.43Å; I82-F116 VanDerWaalsContact CG1-CB 3.43Å; I82-F116 HydrophobicContact CG1-CG 4.35Å; V85-F116 HydrophobicContact CB-CE2 4.43Å; V85-F116 HydrophobicContact CG2-CE2 4.48Å; A112-F116 WeakPolarHBondContact O-CD2 3.45Å; A112-F116 PolarHBondContact O-N 3.44Å; A112-F116 VanDerWaalsContact O-N 3.08Å; F116-G119 PolarHBondContact O-N 3.41Å; F116-S120 PolarHBondContact O-N 3.42Å; F116-S120 PolarHBondContact O-OG 3.35Å; F116-W157 HydrophobicContact CE1-CH2 4.12Å; F116-W157 HydrophobicContact CE1-CZ3 4.35Å |
| 117 | G | 95.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 6% | 0.062 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G113 F114 S120 L121 | G113-G117 PolarHBondContact O-N 3.06Å; F114-G117 PolarHBondContact O-N 2.91Å; G117-S120 PolarHBondContact O-N 3.43Å; G117-L121 PolarHBondContact O-N 3.33Å |
| 118 | C | 96.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 174 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | F114 F115 S120 L121 I122 A160 T164 | F114-C118 HydrophobicContact CD2-CB 4.42Å; F114-C118 HydrophobicContact CE2-CB 4.27Å; F114-C118 WeakPolarHBondContact O-CB 3.49Å; F114-C118 PolarHBondContact O-N 3.27Å; F115-C118 PolarHBondContact O-N 2.94Å; C118-S120 VanDerWaalsContact C-N 3.33Å; C118-S120 PolarHBondContact O-N 2.89Å; C118-L121 PolarHBondContact O-N 3.37Å; C118-I122 WeakPolarHBondContact O-CG1 3.47Å; C118-I122 PolarHBondContact O-N 3.49Å; C118-A160 HydrophobicContact CB-CB 4.24Å; C118-T164 HydrophobicContact CB-CG2 4.39Å |
| 119 | G | 97.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 17 Ų | 17 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -54 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F115 F116 T123 | F115-G119 PolarHBondContact O-N 2.98Å; F116-G119 PolarHBondContact O-N 3.41Å; G119-T123 VanDerWaalsContact O-CB 3.28Å; G119-T123 WeakPolarHBondContact O-CB 3.42Å; G119-T123 PolarHBondContact O-N 2.93Å; G119-T123 PolarHBondContact O-OG1 2.65Å |
| 120 | S | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 175.7 | -71.6 | 0 | 0 | 0 | 0 | 112 | C78 D79 F116 G117 C118 T123 M124 | C78-S120 WeakPolarHBondContact CB-OG 3.33Å; D79-S120 PolarHBondContact OD1-OG 3.3Å; F116-S120 PolarHBondContact O-N 3.42Å; F116-S120 PolarHBondContact O-OG 3.35Å; G117-S120 PolarHBondContact O-N 3.43Å; C118-S120 VanDerWaalsContact C-N 3.33Å; C118-S120 PolarHBondContact O-N 2.89Å; S120-T123 WeakPolarHBondContact O-CB 3.48Å; S120-T123 PolarHBondContact O-N 3.12Å; S120-M124 WeakPolarHBondContact O-CG 3.08Å; S120-M124 PolarHBondContact O-N 2.67Å |
| 121 | L | 96.8 | Very high | 95.7 | Very high | 10 Ų | 10 | 17.1 Ų | 17.1 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | -178.2 | 177.7 | 60.6 | 0 | 0 | 0 | 112.8 | G117 C118 T123 M124 T125 C207 P211 I215 F261 | G117-L121 PolarHBondContact O-N 3.33Å; C118-L121 PolarHBondContact O-N 3.37Å; L121-T123 VanDerWaalsContact C-N 3.31Å; L121-T123 PolarHBondContact O-N 3.33Å; L121-M124 PolarHBondContact O-N 3.46Å; L121-T125 PolarHBondContact O-N 3.35Å; L121-T125 PolarHBondContact O-OG1 3.12Å; L121-C207 WeakPolarHBondContact CD2-O 3.32Å; L121-P211 HydrophobicContact CD1-CB 4.13Å; L121-P211 HydrophobicContact CD2-CB 3.94Å; L121-P211 HydrophobicContact CD2-CG 4.27Å; L121-P211 HydrophobicContact CG-CB 3.8Å; L121-P211 HydrophobicContact CG-CG 4.49Å; L121-I215 HydrophobicContact CD1-CD1 3.89Å; L121-F261 HydrophobicContact CB-CE1 4.06Å; L121-F261 HydrophobicContact CB-CZ 4.09Å; L121-F261 HydrophobicContact CD1-CD1 4.34Å; L121-F261 HydrophobicContact CD1-CE1 3.9Å; L121-F261 HydrophobicContact CG-CE1 4.43Å |
| 122 | I | 97.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 16.3 Ų | 16.3 | 13% | 0.128 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.7 | -33.2 | 178.5 | -55.1 | -59.4 | 0 | 0 | 0 | 110.6 | C118 T125 A126 I156 Y159 P211 | C118-I122 WeakPolarHBondContact O-CG1 3.47Å; C118-I122 PolarHBondContact O-N 3.49Å; I122-T125 WeakPolarHBondContact O-CB 3.14Å; I122-T125 PolarHBondContact O-N 3.03Å; I122-A126 PolarHBondContact O-N 2.98Å; I122-I156 HydrophobicContact CB-CG2 4.43Å; I122-I156 HydrophobicContact CG2-CG1 3.87Å; I122-Y159 HydrophobicContact CD1-CD1 3.96Å; I122-Y159 HydrophobicContact CD1-CE1 3.52Å; I122-Y159 HydrophobicContact CG1-CD1 3.66Å; I122-Y159 HydrophobicContact CG1-CE1 3.76Å; I122-P211 HydrophobicContact CD1-CB 4.07Å; I122-P211 HydrophobicContact CD1-CG 3.55Å |
| 123 | T | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 170.1 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | M71 N74 L75 G119 S120 L121 T125 A126 V127 | M71-T123 HydrophobicContact CB-CG2 4.25Å; M71-T123 WeakPolarHBondContact O-CG2 3.45Å; M71-T123 HydrophobicContact SD-CG2 4.43Å; N74-T123 HydrophobicContact CB-CG2 4.39Å; N74-T123 PolarHBondContact ND2-OG1 3.45Å; L75-T123 HydrophobicContact CB-CG2 4.29Å; G119-T123 VanDerWaalsContact O-CB 3.28Å; G119-T123 WeakPolarHBondContact O-CB 3.42Å; G119-T123 PolarHBondContact O-N 2.93Å; G119-T123 PolarHBondContact O-OG1 2.65Å; S120-T123 WeakPolarHBondContact O-CB 3.48Å; S120-T123 PolarHBondContact O-N 3.12Å; L121-T123 VanDerWaalsContact C-N 3.31Å; L121-T123 PolarHBondContact O-N 3.33Å; T123-T125 VanDerWaalsContact C-N 3.25Å; T123-T125 PolarHBondContact O-N 3.26Å; T123-A126 PolarHBondContact O-N 3.26Å; T123-V127 HydrophobicContact CG2-CG2 4.48Å; T123-V127 VanDerWaalsContact O-CG2 3.32Å; T123-V127 WeakPolarHBondContact O-CG2 3.28Å; T123-V127 PolarHBondContact O-N 3.19Å |
| 124 | M | 95.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.7 | -36.5 | 176.4 | -72.2 | -173.9 | -165.7 | 0 | 0 | 112.1 | L75 S120 L121 V127 S128 I215 I257 F261 | L75-M124 HydrophobicContact CD1-CE 3.68Å; L75-M124 HydrophobicContact CD1-CG 4.44Å; L75-M124 HydrophobicContact CD2-CE 3.99Å; L75-M124 HydrophobicContact CG-CE 4.45Å; S120-M124 WeakPolarHBondContact O-CG 3.08Å; S120-M124 PolarHBondContact O-N 2.67Å; L121-M124 PolarHBondContact O-N 3.46Å; M124-V127 PolarHBondContact O-N 3.42Å; M124-S128 WeakPolarHBondContact O-CB 3.44Å; M124-S128 PolarHBondContact O-N 3.27Å; M124-S128 PolarHBondContact O-OG 3.28Å; M124-I215 HydrophobicContact CB-CD1 4.09Å; M124-I257 HydrophobicContact CE-CG2 3.48Å; M124-I257 VanDerWaalsContact CE-CG2 3.48Å; M124-I257 HydrophobicContact CG-CG2 4.34Å; M124-I257 HydrophobicContact SD-CG2 3.99Å; M124-F261 HydrophobicContact CE-CB 3.69Å; M124-F261 HydrophobicContact CE-CD2 3.57Å; M124-F261 HydrophobicContact CE-CE2 4.4Å; M124-F261 HydrophobicContact CE-CG 3.77Å; M124-F261 HydrophobicContact SD-CB 3.58Å; M124-F261 VanDerWaalsContact SD-CB 3.58Å; M124-F261 HydrophobicContact SD-CD1 4.22Å; M124-F261 HydrophobicContact SD-CD2 4.09Å; M124-F261 HydrophobicContact SD-CG 3.71Å |
| 125 | T | 96.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 18.1 Ų | 18.1 | 9% | 0.092 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.1 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | L121 I122 T123 V127 S128 L129 P211 V214 | L121-T125 PolarHBondContact O-N 3.35Å; L121-T125 PolarHBondContact O-OG1 3.12Å; I122-T125 WeakPolarHBondContact O-CB 3.14Å; I122-T125 PolarHBondContact O-N 3.03Å; T123-T125 VanDerWaalsContact C-N 3.25Å; T123-T125 PolarHBondContact O-N 3.26Å; T125-V127 VanDerWaalsContact C-N 3.35Å; T125-V127 PolarHBondContact O-N 2.92Å; T125-S128 PolarHBondContact O-N 3.01Å; T125-L129 PolarHBondContact O-N 2.79Å; T125-P211 WeakPolarHBondContact OG1-CB 3.25Å; T125-V214 HydrophobicContact CG2-CB 3.85Å; T125-V214 HydrophobicContact CG2-CG1 3.55Å |
| 126 | A | 95 | Very high | 93.3 | Very high | 27 Ų | 27 | 18.3 Ų | 18.3 | 22% | 0.223 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I122 T123 L129 D130 I156 | I122-A126 PolarHBondContact O-N 2.98Å; T123-A126 PolarHBondContact O-N 3.26Å; A126-L129 PolarHBondContact O-N 2.67Å; A126-D130 PolarHBondContact O-N 3.12Å; A126-I156 HydrophobicContact CB-CD1 4.28Å |
| 127 | V | 93.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 16% | 0.158 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | M71 T123 M124 T125 L129 D130 R131 A254 | M71-V127 HydrophobicContact CB-CG2 3.45Å; M71-V127 VanDerWaalsContact CB-CG2 3.45Å; M71-V127 HydrophobicContact CG-CG2 3.99Å; T123-V127 HydrophobicContact CG2-CG2 4.48Å; T123-V127 VanDerWaalsContact O-CG2 3.32Å; T123-V127 WeakPolarHBondContact O-CG2 3.28Å; T123-V127 PolarHBondContact O-N 3.19Å; M124-V127 PolarHBondContact O-N 3.42Å; T125-V127 VanDerWaalsContact C-N 3.35Å; T125-V127 PolarHBondContact O-N 2.92Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.4Å; V127-D130 PolarHBondContact O-N 3.43Å; V127-R131 HydrophobicContact CG1-CG 4.22Å; V127-R131 VanDerWaalsContact O-CG 3.25Å; V127-R131 WeakPolarHBondContact O-CG 3.23Å; V127-R131 PolarHBondContact O-N 3.43Å; V127-A254 HydrophobicContact CG1-CB 3.71Å |
| 128 | S | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 112 | M124 T125 R131 Y132 Y219 | M124-S128 WeakPolarHBondContact O-CB 3.44Å; M124-S128 PolarHBondContact O-N 3.27Å; M124-S128 PolarHBondContact O-OG 3.28Å; T125-S128 PolarHBondContact O-N 3.01Å; S128-R131 PolarHBondContact O-N 2.95Å; S128-Y132 WeakPolarHBondContact O-CB 3.16Å; S128-Y132 PolarHBondContact O-N 3.26Å; S128-Y219 WeakPolarHBondContact OG-CE2 3.48Å; S128-Y219 PolarHBondContact OG-OH 3.07Å |
| 129 | L | 92.6 | Very high | 89.5 | Confident | 70 Ų | 70 | 32.3 Ų | 32.3 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.2 | -75.6 | 173.4 | 0 | 0 | 0 | 112.5 | T125 A126 V127 R131 Y132 L133 V214 | T125-L129 PolarHBondContact O-N 2.79Å; A126-L129 PolarHBondContact O-N 2.67Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.4Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 2.87Å; L129-Y132 PolarHBondContact O-N 3.42Å; L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 2.79Å; L129-V214 HydrophobicContact CD1-CG1 3.79Å; L129-V214 HydrophobicContact CD2-CG1 3.61Å; L129-V214 HydrophobicContact CG-CG1 3.53Å |
| 130 | D | 89.8 | Confident | 87.7 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 176.4 | 172.3 | 82.9 | 0 | 0 | 0 | 111.6 | A126 V127 K134 L144 | A126-D130 PolarHBondContact O-N 3.12Å; V127-D130 PolarHBondContact O-N 3.43Å; D130-K134 WeakPolarHBondContact O-CB 3.38Å; D130-K134 WeakPolarHBondContact O-CG 3.29Å; D130-K134 PolarHBondContact O-N 2.96Å; D130-K134 VanDerWaalsContact O-N 3.1Å; D130-K134 WeakPolarHBondContact OD1-CE 3.02Å; D130-K134 IonicContact OD1-NZ 2.71Å; D130-K134 PolarHBondContact OD1-NZ 2.85Å; D130-K134 IonicContact OD2-NZ 2.92Å; D130-K134 PolarHBondContact OD2-NZ 2.92Å; D130-L144 HydrophobicContact CB-CD1 4.37Å; D130-L144 WeakPolarHBondContact OD1-CD1 3.46Å |
| 131 | R | 90.8 | Very high | 85.7 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 175 | -63.4 | -57 | 86.6 | -163 | 2 | 111.3 | V127 S128 L129 K134 I135 I222 E247 T251 A254 | V127-R131 HydrophobicContact CG1-CG 4.22Å; V127-R131 VanDerWaalsContact O-CG 3.25Å; V127-R131 WeakPolarHBondContact O-CG 3.23Å; V127-R131 PolarHBondContact O-N 3.43Å; S128-R131 PolarHBondContact O-N 2.95Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 2.87Å; R131-K134 VanDerWaalsContact NH2-CD 3.3Å; R131-K134 PolarHBondContact O-N 3.5Å; R131-I135 WeakPolarHBondContact O-CG1 3.35Å; R131-I135 PolarHBondContact O-N 3.36Å; R131-I222 HydrophobicContact CB-CD1 3.95Å; R131-E247 IonicContact CZ-OE2 3.21Å; R131-E247 IonicContact NH1-OE2 3.72Å; R131-E247 PolarHBondContact NH1-OE2 3.33Å; R131-E247 IonicContact NH2-OE2 2.97Å; R131-E247 PolarHBondContact NH2-OE2 2.97Å; R131-T251 HydrophobicContact CB-CG2 4.15Å; R131-T251 WeakPolarHBondContact CD-OG1 3.45Å; R131-T251 HydrophobicContact CG-CG2 4.42Å; R131-A254 HydrophobicContact CG-CB 4.38Å |
| 132 | Y | 90.9 | Very high | 83.9 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 11% | 0.106 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 179.7 | 165.2 | -117.9 | 0 | 0 | 0 | 111.4 | S128 L129 K134 I135 C136 Y137 F217 K221 I222 | S128-Y132 WeakPolarHBondContact O-CB 3.16Å; S128-Y132 PolarHBondContact O-N 3.26Å; L129-Y132 PolarHBondContact O-N 3.42Å; Y132-K134 PolarHBondContact O-N 3.38Å; Y132-I135 PolarHBondContact O-N 3.21Å; Y132-C136 HydrophobicContact CD2-CB 3.85Å; Y132-C136 VanDerWaalsContact CD2-SG 3.54Å; Y132-C136 HydrophobicContact CE2-CB 3.71Å; Y132-C136 VanDerWaalsContact O-CB 3.25Å; Y132-C136 WeakPolarHBondContact O-CB 3.34Å; Y132-C136 PolarHBondContact O-N 3.36Å; Y132-Y137 HydrophobicContact CE1-CE2 4.14Å; Y132-Y137 AromaticContact CE2-CE2 3.99Å; Y132-Y137 HydrophobicContact CE2-CE2 3.99Å; Y132-Y137 AromaticContact CZ-CE2 3.59Å; Y132-Y137 WeakPolarHBondContact OH-CE2 3.47Å; Y132-F217 HydrophobicContact CE1-CE1 4.14Å; Y132-K221 HydrophobicContact CD2-CB 3.83Å; Y132-K221 HydrophobicContact CE2-CB 3.47Å; Y132-K221 VanDerWaalsContact CE2-CB 3.47Å; Y132-K221 HydrophobicContact CE2-CG 4Å; Y132-I222 HydrophobicContact CD2-CG1 4.44Å |
| 133 | L | 88.4 | Confident | 81.8 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 178 | -67.8 | 172.9 | 0 | 0 | 0 | 111.6 | L129 Y137 L144 | L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 2.79Å; L133-Y137 CarbonylContact O-C 3.21Å; L133-Y137 WeakPolarHBondContact O-CA 3.28Å; L133-Y137 WeakPolarHBondContact O-CB 3.43Å; L133-Y137 PolarHBondContact O-N 3.29Å; L133-L144 HydrophobicContact CD1-CD1 4.13Å |
| 134 | K | 84.8 | Confident | 80.4 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68 | -37.9 | -178.7 | -78.7 | 171.9 | 176.6 | 151.8 | 0 | 114.3 | D130 R131 Y132 E247 | D130-K134 WeakPolarHBondContact O-CB 3.38Å; D130-K134 WeakPolarHBondContact O-CG 3.29Å; D130-K134 PolarHBondContact O-N 2.96Å; D130-K134 VanDerWaalsContact O-N 3.1Å; D130-K134 WeakPolarHBondContact OD1-CE 3.02Å; D130-K134 IonicContact OD1-NZ 2.71Å; D130-K134 PolarHBondContact OD1-NZ 2.85Å; D130-K134 IonicContact OD2-NZ 2.92Å; D130-K134 PolarHBondContact OD2-NZ 2.92Å; R131-K134 VanDerWaalsContact NH2-CD 3.3Å; R131-K134 PolarHBondContact O-N 3.5Å; Y132-K134 PolarHBondContact O-N 3.38Å; K134-E247 WeakPolarHBondContact CD-OE2 3.48Å |
| 135 | I | 85.8 | Confident | 79.5 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -86.1 | -41.5 | -176.8 | -60.4 | -60.4 | 0 | 0 | 0 | 111.6 | R131 Y132 I222 V226 E247 M248 | R131-I135 WeakPolarHBondContact O-CG1 3.35Å; R131-I135 PolarHBondContact O-N 3.36Å; Y132-I135 PolarHBondContact O-N 3.21Å; I135-I222 HydrophobicContact CB-CG1 4.47Å; I135-I222 HydrophobicContact CG2-CG2 4.27Å; I135-V226 HydrophobicContact CG2-CG2 4.17Å; I135-E247 HydrophobicContact CD1-CB 3.97Å; I135-M248 HydrophobicContact CD1-CG 4.32Å; I135-M248 HydrophobicContact CD1-SD 3.99Å; I135-M248 HydrophobicContact CG2-SD 4.46Å |
| 136 | C | 85.1 | Confident | 78.8 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 14% | 0.142 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -86.3 | -28.5 | -176.1 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | Y132 | Y132-C136 HydrophobicContact CD2-CB 3.85Å; Y132-C136 VanDerWaalsContact CD2-SG 3.54Å; Y132-C136 HydrophobicContact CE2-CB 3.71Å; Y132-C136 VanDerWaalsContact O-CB 3.25Å; Y132-C136 WeakPolarHBondContact O-CB 3.34Å; Y132-C136 PolarHBondContact O-N 3.36Å |
| 137 | Y | 80.3 | Confident | 78.4 | Confident | 114 Ų | 114 | 69 Ų | 69 | 45% | 0.447 | 33% | 0.333 | S | S | . | . | trans | -132.7 | 79.6 | -175.8 | -60 | -84 | 0 | 0 | 0 | 111.5 | Y132 L133 S139 Y140 G141 | Y132-Y137 HydrophobicContact CE1-CE2 4.14Å; Y132-Y137 AromaticContact CE2-CE2 3.99Å; Y132-Y137 HydrophobicContact CE2-CE2 3.99Å; Y132-Y137 AromaticContact CZ-CE2 3.59Å; Y132-Y137 WeakPolarHBondContact OH-CE2 3.47Å; L133-Y137 CarbonylContact O-C 3.21Å; L133-Y137 WeakPolarHBondContact O-CA 3.28Å; L133-Y137 WeakPolarHBondContact O-CB 3.43Å; L133-Y137 PolarHBondContact O-N 3.29Å; Y137-S139 PolarHBondContact O-N 3.5Å; Y137-Y140 PolarHBondContact O-N 2.8Å; Y137-G141 PolarHBondContact O-N 2.65Å; Y137-G141 VanDerWaalsContact O-N 3.15Å | ||
| 138 | L | 66.8 | Low | 78 | Confident | 110 Ų | 110 | 69.2 Ų | 69.2 | 58% | 0.576 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -34.6 | -178.9 | -120.8 | 75.4 | 0 | 0 | 0 | 113.5 | Y140 G141 | L138-Y140 PolarHBondContact O-N 3.03Å; L138-G141 PolarHBondContact O-N 2.89Å |
| 139 | S | 62.6 | Low | 77.7 | Confident | 109 Ų | 109 | 69.3 Ų | 69.3 | 76% | 0.762 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -35.4 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 113.3 | Y137 | Y137-S139 PolarHBondContact O-N 3.5Š|
| 140 | Y | 60.5 | Low | 77.6 | Confident | 147 Ų | 147 | 72 Ų | 72 | 58% | 0.576 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -19.8 | 177.5 | -80 | -89.4 | 0 | 0 | 0 | 113.2 | Y137 L138 V142 W143 | Y137-Y140 PolarHBondContact O-N 2.8Å; L138-Y140 PolarHBondContact O-N 3.03Å; Y140-V142 PolarHBondContact O-N 3.35Å; Y140-V142 VanDerWaalsContact O-N 3.09Å; Y140-W143 WeakPolarHBondContact O-CB 3.41Å; Y140-W143 PolarHBondContact O-N 3.4Å |
| 141 | G | 54.9 | Low | 77.7 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y137 L138 | Y137-G141 PolarHBondContact O-N 2.65Å; Y137-G141 VanDerWaalsContact O-N 3.15Å; L138-G141 PolarHBondContact O-N 2.89Å |
| 142 | V | 58.4 | Low | 77.8 | Confident | 120 Ų | 120 | 78.7 Ų | 78.7 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14 | 178 | -165.6 | 0 | 0 | 0 | 0 | 112.5 | Y140 | Y140-V142 PolarHBondContact O-N 3.35Å; Y140-V142 VanDerWaalsContact O-N 3.09Å |
| 143 | W | 53.6 | Low | 78.1 | Confident | 173 Ų | 173 | 79.1 Ų | 79.1 | 66% | 0.655 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -30.6 | -172.6 | -161.4 | 83.3 | 0 | 0 | 0 | 113.7 | Y140 K145 H148 | Y140-W143 WeakPolarHBondContact O-CB 3.41Å; Y140-W143 PolarHBondContact O-N 3.4Å; W143-K145 VanDerWaalsContact C-N 3.29Å; W143-K145 PolarHBondContact O-N 2.97Å; W143-H148 PolarHBondContact O-CE1 3.22Å; W143-H148 PolarHBondContact O-ND1 3.04Å |
| 144 | L | 66.6 | Low | 78.4 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 20% | 0.204 | 39% | 0.392 | C | S | . | . | trans | -76.3 | 74.6 | -178.8 | -99.4 | 144.4 | 0 | 0 | 0 | 112.7 | D130 L133 H148 | D130-L144 HydrophobicContact CB-CD1 4.37Å; D130-L144 WeakPolarHBondContact OD1-CD1 3.46Å; L133-L144 HydrophobicContact CD1-CD1 4.13Å; L144-H148 HydrophobicContact CD2-CB 4Å | ||
| 145 | K | 77.9 | Confident | 79 | Confident | 134 Ų | 134 | 80.6 Ų | 80.6 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | trans | -69.3 | 162.4 | 169.6 | -62.9 | -176.8 | -177 | -178.9 | 0 | 111.5 | W143 K147 H148 A149 | W143-K145 VanDerWaalsContact C-N 3.29Å; W143-K145 PolarHBondContact O-N 2.97Å; K145-K147 HydrophobicContact CB-CG 4.09Å; K145-K147 PolarHBondContact O-N 2.88Å; K145-K147 VanDerWaalsContact O-N 3.15Å; K145-H148 PolarHBondContact N-ND1 3.29Å; K145-H148 WeakPolarHBondContact O-CB 3.31Å; K145-H148 PolarHBondContact O-N 2.93Å; K145-A149 PolarHBondContact O-N 2.76Å | ||
| 146 | R | 81.6 | Confident | 79.6 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 35% | 0.347 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -53.4 | -35.7 | 177.7 | -168.1 | -178.9 | -66 | 105.9 | 5.7 | 113.8 | K64 L65 I70 H148 A149 Y150 | K64-R146 VanDerWaalsContact CB-NH2 3.32Å; L65-R146 PolarHBondContact O-NE 3.16Å; L65-R146 PolarHBondContact O-NH2 3.34Å; I70-R146 HydrophobicContact CD1-CG 3.79Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 2.96Å; R146-A149 WeakPolarHBondContact O-CB 3.43Å; R146-A149 PolarHBondContact O-N 2.94Å; R146-A149 VanDerWaalsContact O-N 3.13Å; R146-Y150 HydrophobicContact CG-CD2 4.12Å; R146-Y150 HydrophobicContact CG-CE2 3.67Å; R146-Y150 WeakPolarHBondContact O-CD2 3.37Å; R146-Y150 PolarHBondContact O-N 2.9Å |
| 147 | K | 85.9 | Confident | 80.2 | Confident | 129 Ų | 129 | 83 Ų | 83 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.3 | -41.5 | 175.8 | 62.8 | 175.2 | -172 | 166 | 0 | 112.4 | K145 A149 Y150 I151 | K145-K147 HydrophobicContact CB-CG 4.09Å; K145-K147 PolarHBondContact O-N 2.88Å; K145-K147 VanDerWaalsContact O-N 3.15Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 2.78Å; K147-Y150 PolarHBondContact O-N 3.45Å; K147-I151 WeakPolarHBondContact O-CG1 3.11Å; K147-I151 PolarHBondContact O-N 2.99Å; K147-I151 VanDerWaalsContact O-N 3.13Å |
| 148 | H | 86.4 | Confident | 81.1 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 15% | 0.148 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.5 | -35 | 178.8 | -56.2 | 130.3 | 0 | 0 | 0 | 110.9 | W143 L144 K145 R146 Y150 I151 C152 | W143-H148 PolarHBondContact O-CE1 3.22Å; W143-H148 PolarHBondContact O-ND1 3.04Å; L144-H148 HydrophobicContact CD2-CB 4Å; K145-H148 PolarHBondContact N-ND1 3.29Å; K145-H148 WeakPolarHBondContact O-CB 3.31Å; K145-H148 PolarHBondContact O-N 2.93Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 2.96Å; H148-Y150 PolarHBondContact O-N 3.3Å; H148-I151 PolarHBondContact O-N 2.91Å; H148-C152 WeakPolarHBondContact O-CB 3.43Å; H148-C152 PolarHBondContact O-N 3.4Å; H148-C152 PolarHBondContact O-SG 3.49Å |
| 149 | A | 87.5 | Confident | 82.5 | Confident | 2 Ų | 2 | 78.1 Ų | 78.1 | 2% | 0.017 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P67 I70 M71 K145 R146 K147 C152 L153 | P67-A149 HydrophobicContact CB-CB 3.95Å; I70-A149 HydrophobicContact CD1-CB 4.24Å; M71-A149 HydrophobicContact CE-CB 4.09Å; M71-A149 WeakPolarHBondContact CE-O 3.46Å; K145-A149 PolarHBondContact O-N 2.76Å; R146-A149 WeakPolarHBondContact O-CB 3.43Å; R146-A149 PolarHBondContact O-N 2.94Å; R146-A149 VanDerWaalsContact O-N 3.13Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 2.78Å; A149-C152 PolarHBondContact O-N 2.91Å; A149-L153 WeakPolarHBondContact O-CB 3.5Å; A149-L153 PolarHBondContact O-N 3.16Å |
| 150 | Y | 90.8 | Very high | 84.2 | Confident | 126 Ų | 126 | 73 Ų | 73 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.5 | -35.1 | 176 | -71.8 | -66.5 | 0 | 0 | 0 | 112.9 | I70 R146 K147 H148 L153 A154 | I70-Y150 HydrophobicContact CD1-CE1 4.38Å; I70-Y150 HydrophobicContact CD1-CE2 4.09Å; I70-Y150 HydrophobicContact CG2-CE1 4.48Å; R146-Y150 HydrophobicContact CG-CD2 4.12Å; R146-Y150 HydrophobicContact CG-CE2 3.67Å; R146-Y150 WeakPolarHBondContact O-CD2 3.37Å; R146-Y150 PolarHBondContact O-N 2.9Å; K147-Y150 PolarHBondContact O-N 3.45Å; H148-Y150 PolarHBondContact O-N 3.3Å; Y150-L153 HydrophobicContact CD1-CD2 4.4Å; Y150-L153 WeakPolarHBondContact O-CB 3.33Å; Y150-L153 PolarHBondContact O-N 3.28Å; Y150-A154 PolarHBondContact O-N 2.88Å |
| 151 | I | 92.6 | Very high | 86 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 173.1 | -65.6 | 165.6 | 0 | 0 | 0 | 110.2 | K147 H148 L153 A154 A155 | K147-I151 WeakPolarHBondContact O-CG1 3.11Å; K147-I151 PolarHBondContact O-N 2.99Å; K147-I151 VanDerWaalsContact O-N 3.13Å; H148-I151 PolarHBondContact O-N 2.91Å; I151-L153 VanDerWaalsContact C-N 3.26Å; I151-L153 PolarHBondContact O-N 3.42Å; I151-A154 PolarHBondContact O-N 2.93Å; I151-A155 PolarHBondContact O-N 3.48Å |
| 152 | C | 93.3 | Very high | 88 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 174.1 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | M71 H148 A149 A155 I156 | M71-C152 HydrophobicContact CE-CB 3.75Å; H148-C152 WeakPolarHBondContact O-CB 3.43Å; H148-C152 PolarHBondContact O-N 3.4Å; H148-C152 PolarHBondContact O-SG 3.49Å; A149-C152 PolarHBondContact O-N 2.91Å; C152-A155 PolarHBondContact O-N 3.23Å; C152-I156 WeakPolarHBondContact O-CD1 3.27Å; C152-I156 VanDerWaalsContact O-CG1 3.22Å; C152-I156 WeakPolarHBondContact O-CG1 3.36Å; C152-I156 PolarHBondContact O-N 3.45Å |
| 153 | L | 95.4 | Very high | 89.8 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -52 | 175.6 | -177.5 | 63.1 | 0 | 0 | 0 | 111.1 | N74 A149 Y150 I151 A155 I156 W157 | N74-L153 HydrophobicContact CB-CD1 3.74Å; N74-L153 WeakPolarHBondContact OD1-CD1 3.48Å; A149-L153 WeakPolarHBondContact O-CB 3.5Å; A149-L153 PolarHBondContact O-N 3.16Å; Y150-L153 HydrophobicContact CD1-CD2 4.4Å; Y150-L153 WeakPolarHBondContact O-CB 3.33Å; Y150-L153 PolarHBondContact O-N 3.28Å; I151-L153 VanDerWaalsContact C-N 3.26Å; I151-L153 PolarHBondContact O-N 3.42Å; L153-A155 PolarHBondContact O-N 3.09Å; L153-I156 WeakPolarHBondContact O-CB 3.38Å; L153-I156 PolarHBondContact O-N 3.41Å; L153-I156 VanDerWaalsContact O-N 3.09Å; L153-W157 VanDerWaalsContact CD1-NE1 3.35Å; L153-W157 PolarHBondContact O-N 3.44Å; L153-W157 VanDerWaalsContact O-N 3.07Å |
| 154 | A | 96.6 | Very high | 91.8 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.4 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y150 I151 W157 A158 | Y150-A154 PolarHBondContact O-N 2.88Å; I151-A154 PolarHBondContact O-N 2.93Å; A154-W157 PolarHBondContact O-N 3.31Å; A154-A158 WeakPolarHBondContact O-CB 3.47Å; A154-A158 PolarHBondContact O-N 3.05Å |
| 155 | A | 96.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I151 C152 L153 A158 Y159 | I151-A155 PolarHBondContact O-N 3.48Å; C152-A155 PolarHBondContact O-N 3.23Å; L153-A155 PolarHBondContact O-N 3.09Å; A155-A158 PolarHBondContact O-N 3.46Å; A155-Y159 WeakPolarHBondContact O-CB 3.45Å; A155-Y159 PolarHBondContact O-N 2.91Å |
| 156 | I | 97.6 | Very high | 94 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 175.9 | -71.8 | 158.1 | 0 | 0 | 0 | 110.5 | M71 I122 A126 C152 L153 Y159 A160 | M71-I156 HydrophobicContact SD-CD1 4.12Å; I122-I156 HydrophobicContact CB-CG2 4.43Å; I122-I156 HydrophobicContact CG2-CG1 3.87Å; A126-I156 HydrophobicContact CB-CD1 4.28Å; C152-I156 WeakPolarHBondContact O-CD1 3.27Å; C152-I156 VanDerWaalsContact O-CG1 3.22Å; C152-I156 WeakPolarHBondContact O-CG1 3.36Å; C152-I156 PolarHBondContact O-N 3.45Å; L153-I156 WeakPolarHBondContact O-CB 3.38Å; L153-I156 PolarHBondContact O-N 3.41Å; L153-I156 VanDerWaalsContact O-N 3.09Å; I156-Y159 PolarHBondContact O-N 3.41Å; I156-A160 WeakPolarHBondContact O-CB 3.11Å; I156-A160 PolarHBondContact O-N 2.67Å |
| 157 | W | 98 | Very high | 94.5 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | -179 | -75.6 | 93.8 | 0 | 0 | 0 | 112 | N74 V77 F115 F116 L153 A154 S161 | N74-W157 WeakPolarHBondContact OD1-CZ2 3.44Å; N74-W157 PolarHBondContact OD1-NE1 2.86Å; V77-W157 HydrophobicContact CG1-CH2 4.06Å; V77-W157 HydrophobicContact CG1-CZ2 3.97Å; F115-W157 AromaticContact CE1-CE3 3.98Å; F115-W157 HydrophobicContact CE1-CE3 3.98Å; F115-W157 HydrophobicContact CE1-CH2 4.49Å; F115-W157 AromaticContact CE1-CZ3 3.46Å; F115-W157 HydrophobicContact CE1-CZ3 3.46Å; F115-W157 VanDerWaalsContact CE1-CZ3 3.46Å; F115-W157 HydrophobicContact CE2-CE3 4.32Å; F115-W157 AromaticContact CZ-CE3 3.44Å; F115-W157 HydrophobicContact CZ-CE3 3.44Å; F115-W157 VanDerWaalsContact CZ-CE3 3.44Å; F115-W157 AromaticContact CZ-CZ3 3.45Å; F115-W157 HydrophobicContact CZ-CZ3 3.45Å; F115-W157 VanDerWaalsContact CZ-CZ3 3.45Å; F116-W157 HydrophobicContact CE1-CH2 4.12Å; F116-W157 HydrophobicContact CE1-CZ3 4.35Å; L153-W157 VanDerWaalsContact CD1-NE1 3.35Å; L153-W157 PolarHBondContact O-N 3.44Å; L153-W157 VanDerWaalsContact O-N 3.07Å; A154-W157 PolarHBondContact O-N 3.31Å; W157-S161 VanDerWaalsContact O-CB 3.28Å; W157-S161 WeakPolarHBondContact O-CB 3.14Å; W157-S161 PolarHBondContact O-N 3Å; W157-S161 PolarHBondContact O-OG 3.3Å |
| 158 | A | 98.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 48.8 Ų | 48.8 | 50% | 0.504 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A154 A155 S161 F162 | A154-A158 WeakPolarHBondContact O-CB 3.47Å; A154-A158 PolarHBondContact O-N 3.05Å; A155-A158 PolarHBondContact O-N 3.46Å; A158-S161 PolarHBondContact O-N 3.2Å; A158-F162 WeakPolarHBondContact O-CB 3.46Å; A158-F162 PolarHBondContact O-N 3.15Å |
| 159 | Y | 98 | Very high | 95.1 | Very high | 61 Ų | 61 | 52 Ų | 52 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 178 | -172.4 | -86 | 0 | 0 | 0 | 112.2 | I122 A155 I156 S161 F162 W163 F206 | I122-Y159 HydrophobicContact CD1-CD1 3.96Å; I122-Y159 HydrophobicContact CD1-CE1 3.52Å; I122-Y159 HydrophobicContact CG1-CD1 3.66Å; I122-Y159 HydrophobicContact CG1-CE1 3.76Å; A155-Y159 WeakPolarHBondContact O-CB 3.45Å; A155-Y159 PolarHBondContact O-N 2.91Å; I156-Y159 PolarHBondContact O-N 3.41Å; Y159-S161 VanDerWaalsContact C-N 3.35Å; Y159-F162 PolarHBondContact O-N 3.26Å; Y159-W163 AromaticContact CD1-CD1 3.65Å; Y159-W163 AromaticContact CE1-CD1 3.35Å; Y159-W163 HydrophobicContact CE1-CG 4.48Å; Y159-W163 AromaticContact CE1-NE1 3.61Å; Y159-W163 AromaticContact CE2-CD1 3.9Å; Y159-W163 AromaticContact CE2-NE1 3.41Å; Y159-W163 AromaticContact CZ-CD1 3.51Å; Y159-W163 AromaticContact CZ-NE1 3.2Å; Y159-W163 PolarHBondContact O-N 2.79Å; Y159-W163 PolarHBondContact OH-NE1 3.28Å; Y159-F206 VanDerWaalsContact OH-C 3.28Å; Y159-F206 WeakPolarHBondContact OH-CB 3.49Å; Y159-F206 PolarHBondContact OH-O 3.18Å |
| 160 | A | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F115 C118 I156 F162 T164 | F115-A160 HydrophobicContact CD2-CB 3.93Å; F115-A160 HydrophobicContact CE2-CB 3.99Å; C118-A160 HydrophobicContact CB-CB 4.24Å; I156-A160 WeakPolarHBondContact O-CB 3.11Å; I156-A160 PolarHBondContact O-N 2.67Å; A160-F162 PolarHBondContact O-N 3.32Å; A160-T164 WeakPolarHBondContact O-CB 3.41Å; A160-T164 WeakPolarHBondContact O-CG2 3.18Å; A160-T164 PolarHBondContact O-N 3.26Å; A160-T164 VanDerWaalsContact O-N 3.12Å; A160-T164 PolarHBondContact O-OG1 2.91Å |
| 161 | S | 97.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | F115 W157 A158 Y159 T164 T165 | F115-S161 WeakPolarHBondContact CE2-OG 3.17Å; W157-S161 VanDerWaalsContact O-CB 3.28Å; W157-S161 WeakPolarHBondContact O-CB 3.14Å; W157-S161 PolarHBondContact O-N 3Å; W157-S161 PolarHBondContact O-OG 3.3Å; A158-S161 PolarHBondContact O-N 3.2Å; Y159-S161 VanDerWaalsContact C-N 3.35Å; S161-T164 PolarHBondContact O-OG1 3.43Å; S161-T165 VanDerWaalsContact O-CB 3.31Å; S161-T165 WeakPolarHBondContact O-CB 3.45Å; S161-T165 WeakPolarHBondContact O-CG2 3.4Å; S161-T165 PolarHBondContact O-N 2.98Å; S161-T165 PolarHBondContact O-OG1 3.39Å |
| 162 | F | 96.9 | Very high | 94.8 | Very high | 105 Ų | 105 | 49 Ų | 49 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.5 | -61.7 | 179.9 | 174.8 | -99.7 | 0 | 0 | 0 | 111.1 | A158 Y159 A160 T164 T165 M166 | A158-F162 WeakPolarHBondContact O-CB 3.46Å; A158-F162 PolarHBondContact O-N 3.15Å; Y159-F162 PolarHBondContact O-N 3.26Å; A160-F162 PolarHBondContact O-N 3.32Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.42Å; F162-T165 PolarHBondContact O-N 3.08Å; F162-T165 PolarHBondContact O-OG1 3.33Å; F162-M166 HydrophobicContact CD2-CE 4.34Å; F162-M166 HydrophobicContact CE2-CE 4.16Å; F162-M166 HydrophobicContact CE2-SD 4.12Å; F162-M166 HydrophobicContact CZ-CG 4.46Å; F162-M166 HydrophobicContact CZ-SD 4.19Å; F162-M166 WeakPolarHBondContact O-CG 3.2Å; F162-M166 PolarHBondContact O-N 3.4Å |
| 163 | W | 96.5 | Very high | 94.8 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 10% | 0.095 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -33.9 | -173.6 | -75.2 | 110.4 | 0 | 0 | 0 | 114.1 | Y159 P167 N202 I203 F206 | Y159-W163 AromaticContact CD1-CD1 3.65Å; Y159-W163 AromaticContact CE1-CD1 3.35Å; Y159-W163 HydrophobicContact CE1-CG 4.48Å; Y159-W163 AromaticContact CE1-NE1 3.61Å; Y159-W163 AromaticContact CE2-CD1 3.9Å; Y159-W163 AromaticContact CE2-NE1 3.41Å; Y159-W163 AromaticContact CZ-CD1 3.51Å; Y159-W163 AromaticContact CZ-NE1 3.2Å; Y159-W163 PolarHBondContact O-N 2.79Å; Y159-W163 PolarHBondContact OH-NE1 3.28Å; W163-P167 WeakPolarHBondContact O-CD 3.28Å; W163-N202 HydrophobicContact CH2-CB 4.01Å; W163-N202 HydrophobicContact CZ3-CB 3.94Å; W163-I203 HydrophobicContact CB-CD1 4.36Å; W163-I203 HydrophobicContact CD2-CD1 4.32Å; W163-I203 HydrophobicContact CE3-CD1 3.54Å; W163-I203 HydrophobicContact CZ3-CD1 4.22Å; W163-F206 HydrophobicContact CH2-CB 3.98Å; W163-F206 AromaticContact CH2-CD2 3.38Å; W163-F206 HydrophobicContact CH2-CD2 3.38Å; W163-F206 HydrophobicContact CH2-CE2 4.08Å; W163-F206 AromaticContact CH2-CG 3.87Å; W163-F206 HydrophobicContact CH2-CG 3.87Å; W163-F206 HydrophobicContact CZ2-CB 3.38Å; W163-F206 HydrophobicContact CZ2-CD1 4.11Å; W163-F206 AromaticContact CZ2-CD2 3.35Å; W163-F206 HydrophobicContact CZ2-CD2 3.35Å; W163-F206 HydrophobicContact CZ2-CE2 4.13Å; W163-F206 AromaticContact CZ2-CG 3.34Å; W163-F206 HydrophobicContact CZ2-CG 3.34Å |
| 164 | T | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -83.4 | -24.2 | -176.4 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | W111 F114 F115 C118 A160 S161 F162 P167 Y174 | W111-T164 PolarHBondContact NE1-OG1 3.44Å; F114-T164 HydrophobicContact CB-CG2 4.04Å; F114-T164 HydrophobicContact CD1-CG2 3.29Å; F114-T164 HydrophobicContact CD2-CG2 4.16Å; F114-T164 HydrophobicContact CE1-CG2 3.65Å; F114-T164 HydrophobicContact CE2-CG2 4.45Å; F114-T164 HydrophobicContact CG-CG2 3.56Å; F114-T164 HydrophobicContact CZ-CG2 4.21Å; F115-T164 VanDerWaalsContact CA-CG2 3.44Å; F115-T164 HydrophobicContact CB-CG2 4.05Å; F115-T164 WeakPolarHBondContact CD2-OG1 3.17Å; C118-T164 HydrophobicContact CB-CG2 4.39Å; A160-T164 WeakPolarHBondContact O-CB 3.41Å; A160-T164 WeakPolarHBondContact O-CG2 3.18Å; A160-T164 PolarHBondContact O-N 3.26Å; A160-T164 VanDerWaalsContact O-N 3.12Å; A160-T164 PolarHBondContact O-OG1 2.91Å; S161-T164 PolarHBondContact O-OG1 3.43Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.42Å; T164-P167 WeakPolarHBondContact O-CD 3.5Å; T164-Y174 PolarHBondContact O-OH 2.89Å |
| 165 | T | 95.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -83.7 | -18.8 | 174.9 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | S161 F162 L168 V169 | S161-T165 VanDerWaalsContact O-CB 3.31Å; S161-T165 WeakPolarHBondContact O-CB 3.45Å; S161-T165 WeakPolarHBondContact O-CG2 3.4Å; S161-T165 PolarHBondContact O-N 2.98Å; S161-T165 PolarHBondContact O-OG1 3.39Å; F162-T165 PolarHBondContact O-N 3.08Å; F162-T165 PolarHBondContact O-OG1 3.33Å; T165-L168 WeakPolarHBondContact O-CA 3.31Å; T165-L168 WeakPolarHBondContact O-CB 3.34Å; T165-L168 PolarHBondContact O-N 3.18Å; T165-V169 PolarHBondContact O-N 3.45Å |
| 166 | M | 94.3 | Very high | 94.6 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 17% | 0.167 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -45.2 | 176.3 | -71.5 | -62.8 | 93.1 | 0 | 0 | 114.4 | F162 L168 V169 L171 F199 | F162-M166 HydrophobicContact CD2-CE 4.34Å; F162-M166 HydrophobicContact CE2-CE 4.16Å; F162-M166 HydrophobicContact CE2-SD 4.12Å; F162-M166 HydrophobicContact CZ-CG 4.46Å; F162-M166 HydrophobicContact CZ-SD 4.19Å; F162-M166 WeakPolarHBondContact O-CG 3.2Å; F162-M166 PolarHBondContact O-N 3.4Å; M166-L168 VanDerWaalsContact C-N 3.28Å; M166-L168 PolarHBondContact O-N 3.06Å; M166-V169 HydrophobicContact CE-CG2 3.83Å; M166-V169 WeakPolarHBondContact O-CG2 3.35Å; M166-V169 PolarHBondContact O-N 2.74Å; M166-V169 HydrophobicContact SD-CG2 4.39Å; M166-L171 HydrophobicContact CG-CD1 4.48Å; M166-L171 PolarHBondContact O-N 2.89Å; M166-L171 HydrophobicContact SD-CD1 3.54Å; M166-L171 VanDerWaalsContact SD-CD1 3.54Å; M166-F199 HydrophobicContact CB-CE2 3.93Å |
| 167 | P | 93.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -55.7 | -39.3 | 170.8 | -26.3 | 31 | 0 | 0 | 0 | 114.2 | W163 T164 V169 G170 Y174 L185 F199 | W163-P167 WeakPolarHBondContact O-CD 3.28Å; T164-P167 WeakPolarHBondContact O-CD 3.5Å; P167-V169 VanDerWaalsContact C-N 3.26Å; P167-V169 PolarHBondContact O-N 3.05Å; P167-G170 PolarHBondContact O-N 3.48Å; P167-Y174 HydrophobicContact CB-CD2 3.86Å; P167-Y174 HydrophobicContact CB-CE2 3.53Å; P167-Y174 HydrophobicContact CG-CE2 3.88Å; P167-L185 HydrophobicContact CG-CD2 3.61Å; P167-F199 HydrophobicContact CG-CE1 4.28Å; P167-F199 HydrophobicContact CG-CE2 4.43Å; P167-F199 HydrophobicContact CG-CZ 3.62Å |
| 168 | L | 92.1 | Very high | 94 | Very high | 87 Ų | 87 | 38.6 Ų | 38.6 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -72.1 | -20.9 | -176.8 | -59.2 | -179.7 | 0 | 0 | 0 | 113.1 | R107 W111 T165 M166 Y174 | R107-L168 HydrophobicContact CB-CD2 4.28Å; W111-L168 HydrophobicContact CB-CD1 4.35Å; W111-L168 HydrophobicContact CG-CD1 3.94Å; T165-L168 WeakPolarHBondContact O-CA 3.31Å; T165-L168 WeakPolarHBondContact O-CB 3.34Å; T165-L168 PolarHBondContact O-N 3.18Å; M166-L168 VanDerWaalsContact C-N 3.28Å; M166-L168 PolarHBondContact O-N 3.06Å; L168-Y174 HydrophobicContact CD2-CD2 3.74Å; L168-Y174 HydrophobicContact CD2-CE2 3.82Å; L168-Y174 HydrophobicContact CG-CD2 4.43Å; L168-Y174 HydrophobicContact CG-CE2 4.02Å |
| 169 | V | 91.8 | Very high | 93.7 | Very high | 100 Ų | 100 | 35.9 Ų | 35.9 | 61% | 0.606 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -96.6 | 9.1 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | T165 M166 P167 | T165-V169 PolarHBondContact O-N 3.45Å; M166-V169 HydrophobicContact CE-CG2 3.83Å; M166-V169 WeakPolarHBondContact O-CG2 3.35Å; M166-V169 PolarHBondContact O-N 2.74Å; M166-V169 HydrophobicContact SD-CG2 4.39Å; P167-V169 VanDerWaalsContact C-N 3.26Å; P167-V169 PolarHBondContact O-N 3.05Å |
| 170 | G | 85.9 | Confident | 93.4 | Very high | 64 Ų | 64 | 33 Ų | 33 | 66% | 0.66 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | 8.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P167 | P167-G170 PolarHBondContact O-N 3.48Š|
| 171 | L | 87.6 | Confident | 93.3 | Very high | 102 Ų | 102 | 33.1 Ų | 33.1 | 53% | 0.534 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -86.5 | -11 | 171.7 | -67.3 | 175.9 | 0 | 0 | 0 | 113.3 | M166 F199 | M166-L171 HydrophobicContact CG-CD1 4.48Å; M166-L171 PolarHBondContact O-N 2.89Å; M166-L171 HydrophobicContact SD-CD1 3.54Å; M166-L171 VanDerWaalsContact SD-CD1 3.54Å; L171-F199 HydrophobicContact CB-CD2 4.24Å; L171-F199 VanDerWaalsContact O-CB 3.23Å; L171-F199 WeakPolarHBondContact O-CB 3.11Å; L171-F199 WeakPolarHBondContact O-CD2 3.07Å; L171-F199 WeakPolarHBondContact O-CG 3.48Å |
| 172 | G | 91.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 31 Ų | 31 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -155.8 | -166.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 173 | D | 93.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 26.1 Ų | 26.1 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | trans | -148.3 | 169.7 | 165.9 | -153.1 | -12.3 | 0 | 0 | 0 | 110 | R107 D186 | R107-D173 IonicContact CZ-OD1 3.37Å; R107-D173 IonicContact CZ-OD2 2.88Å; R107-D173 IonicContact NE-OD1 2.8Å; R107-D173 PolarHBondContact NE-OD1 2.96Å; R107-D173 IonicContact NE-OD2 3.85Å; R107-D173 IonicContact NH2-OD1 3.53Å; R107-D173 PolarHBondContact NH2-OD1 2.93Å; R107-D173 IonicContact NH2-OD2 3.78Å; R107-D173 PolarHBondContact NH2-OD2 3.02Å; D173-D186 HydrophobicContact CB-CB 4.4Å; D173-D186 WeakPolarHBondContact O-CB 3.36Å; D173-D186 PolarHBondContact O-N 3.43Å | ||
| 174 | Y | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.3 | 166.3 | -66.6 | -78.8 | 0 | 0 | 0 | 109.4 | G110 W111 F114 T164 P167 L168 T184 L185 | G110-Y174 VanDerWaalsContact C-CD1 3.48Å; G110-Y174 WeakPolarHBondContact O-CE1 3.48Å; W111-Y174 VanDerWaalsContact CA-CZ 3.47Å; W111-Y174 WeakPolarHBondContact CA-OH 3.05Å; W111-Y174 HydrophobicContact CB-CD2 4.48Å; W111-Y174 HydrophobicContact CB-CE2 3.84Å; F114-Y174 HydrophobicContact CB-CE1 4.25Å; F114-Y174 HydrophobicContact CD1-CE1 4.41Å; F114-Y174 WeakPolarHBondContact CD1-OH 3.15Å; T164-Y174 PolarHBondContact O-OH 2.89Å; P167-Y174 HydrophobicContact CB-CD2 3.86Å; P167-Y174 HydrophobicContact CB-CE2 3.53Å; P167-Y174 HydrophobicContact CG-CE2 3.88Å; L168-Y174 HydrophobicContact CD2-CD2 3.74Å; L168-Y174 HydrophobicContact CD2-CE2 3.82Å; L168-Y174 HydrophobicContact CG-CD2 4.43Å; L168-Y174 HydrophobicContact CG-CE2 4.02Å; Y174-T184 CarbonylContact C-O 3.56Å; Y174-T184 WeakPolarHBondContact CA-O 3.43Å; Y174-L185 HydrophobicContact CD1-CD2 4.05Å; Y174-L185 HydrophobicContact CD1-CG 4.38Å; Y174-L185 HydrophobicContact CE1-CD2 3.51Å; Y174-L185 HydrophobicContact CE1-CG 3.94Å |
| 175 | A | 94.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 162 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y17 C183 T184 D186 | Y17-A175 HydrophobicContact CD1-CB 3.75Å; Y17-A175 HydrophobicContact CE1-CB 3.45Å; Y17-A175 VanDerWaalsContact CE1-CB 3.45Å; A175-C183 CarbonylContact O-C 3.55Å; A175-C183 VanDerWaalsContact O-CA 3.28Å; A175-C183 WeakPolarHBondContact O-CA 3.36Å; A175-C183 WeakPolarHBondContact O-CB 3.47Å; A175-T184 PolarHBondContact N-O 3.3Å; A175-T184 PolarHBondContact O-N 3.32Å; A175-D186 HydrophobicContact CB-CB 3.88Å |
| 176 | P | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 144.7 | 170 | -24.7 | 35.9 | 0 | 0 | 0 | 111.6 | H16 P23 F24 W103 | H16-P176 PolarHBondContact CE1-O 2.96Å; H16-P176 PolarHBondContact NE2-O 2.68Å; P23-P176 HydrophobicContact CB-CG 4.41Å; F24-P176 HydrophobicContact CD1-CG 3.9Å; F24-P176 HydrophobicContact CE1-CG 3.61Å; W103-P176 HydrophobicContact CH2-CG 4.19Å; W103-P176 HydrophobicContact CZ3-CG 4.26Å |
| 177 | E | 93.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | trans | -68.4 | 155.7 | 165.7 | -72.8 | -80.5 | -172.4 | 0 | 0 | 109.9 | F179 G180 S182 T184 Y268 | E177-F179 HydrophobicContact CB-CD1 3.83Å; E177-F179 HydrophobicContact CB-CD2 4.49Å; E177-F179 HydrophobicContact CB-CE1 3.41Å; E177-F179 VanDerWaalsContact CB-CE1 3.41Å; E177-F179 HydrophobicContact CB-CE2 4.13Å; E177-F179 HydrophobicContact CB-CG 4.35Å; E177-F179 HydrophobicContact CB-CZ 3.59Å; E177-F179 HydrophobicContact CG-CE1 3.83Å; E177-F179 HydrophobicContact CG-CZ 3.81Å; E177-F179 PolarHBondContact O-N 2.99Å; E177-G180 PolarHBondContact O-N 3.11Å; E177-S182 WeakPolarHBondContact CB-O 3.23Å; E177-S182 WeakPolarHBondContact CG-OG 3.23Å; E177-S182 PolarHBondContact N-O 2.74Å; E177-T184 HydrophobicContact CG-CG2 3.87Å; E177-T184 WeakPolarHBondContact OE1-CB 3.35Å; E177-T184 WeakPolarHBondContact OE1-CG2 3.14Å; E177-Y268 WeakPolarHBondContact OE1-CE2 3.45Å; E177-Y268 PolarHBondContact OE1-OH 2.02Å | ||
| 178 | P | 89.8 | Confident | 92.6 | Very high | 16 Ų | 16 | 24 Ų | 24 | 10% | 0.104 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -28.2 | -176.9 | -30 | 36.7 | 0 | 0 | 0 | 115.4 | K27 W188 | K27-P178 WeakPolarHBondContact CD-O 3.43Å; K27-P178 WeakPolarHBondContact CE-O 3.33Å; K27-P178 PolarHBondContact NZ-O 3.42Å; P178-W188 HydrophobicContact CG-CH2 3.4Å; P178-W188 VanDerWaalsContact CG-CH2 3.4Å; P178-W188 HydrophobicContact CG-CZ2 3.8Å; P178-W188 HydrophobicContact CG-CZ3 4.45Å |
| 179 | F | 91.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 2% | 0.022 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -7.2 | 179.9 | 56.3 | -95.8 | 0 | 0 | 0 | 114.3 | S26 K27 L28 E177 T181 S182 I285 V289 T292 | S26-F179 WeakPolarHBondContact CA-O 3.31Å; S26-F179 PolarHBondContact OG-O 3.31Å; K27-F179 PolarHBondContact N-O 3.49Å; L28-F179 HydrophobicContact CD1-CB 4.06Å; L28-F179 HydrophobicContact CD1-CD2 4.43Å; L28-F179 HydrophobicContact CG-CB 4.05Å; E177-F179 HydrophobicContact CB-CD1 3.83Å; E177-F179 HydrophobicContact CB-CD2 4.49Å; E177-F179 HydrophobicContact CB-CE1 3.41Å; E177-F179 VanDerWaalsContact CB-CE1 3.41Å; E177-F179 HydrophobicContact CB-CE2 4.13Å; E177-F179 HydrophobicContact CB-CG 4.35Å; E177-F179 HydrophobicContact CB-CZ 3.59Å; E177-F179 HydrophobicContact CG-CE1 3.83Å; E177-F179 HydrophobicContact CG-CZ 3.81Å; E177-F179 PolarHBondContact O-N 2.99Å; F179-T181 VanDerWaalsContact CD2-OG1 3.24Å; F179-T181 WeakPolarHBondContact CD2-OG1 3.48Å; F179-T181 WeakPolarHBondContact CE2-OG1 3.49Å; F179-T181 PolarHBondContact O-N 3.33Å; F179-S182 WeakPolarHBondContact CE2-OG 3.39Å; F179-S182 WeakPolarHBondContact CZ-OG 3.49Å; F179-I285 HydrophobicContact CB-CG2 3.83Å; F179-V289 HydrophobicContact CD1-CB 4.11Å; F179-V289 HydrophobicContact CD1-CG2 4.47Å; F179-V289 HydrophobicContact CE1-CB 4.47Å; F179-V289 HydrophobicContact CG-CB 4.4Å; F179-V289 HydrophobicContact CG-CG2 4.48Å; F179-T292 HydrophobicContact CE1-CG2 4Å; F179-T292 HydrophobicContact CZ-CG2 3.74Å |
| 180 | G | 92.3 | Very high | 92 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 85.9 | -7.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | W99 E177 | W99-G180 WeakPolarHBondContact CB-O 3.42Å; W99-G180 PolarHBondContact N-O 3.01Å; E177-G180 PolarHBondContact O-N 3.11Å |
| 181 | T | 95.2 | Very high | 92 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -108.1 | 7.3 | -176 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | T90 S93 F179 | T90-T181 PolarHBondContact OG1-O 3.4Å; S93-T181 WeakPolarHBondContact CB-O 3.48Å; F179-T181 VanDerWaalsContact CD2-OG1 3.24Å; F179-T181 WeakPolarHBondContact CD2-OG1 3.48Å; F179-T181 WeakPolarHBondContact CE2-OG1 3.49Å; F179-T181 PolarHBondContact O-N 3.33Å |
| 182 | S | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -154.6 | 171 | 170.4 | 76.4 | 0 | 0 | 0 | 0 | 111.2 | E177 F179 | E177-S182 WeakPolarHBondContact CB-O 3.23Å; E177-S182 WeakPolarHBondContact CG-OG 3.23Å; E177-S182 PolarHBondContact N-O 2.74Å; F179-S182 WeakPolarHBondContact CE2-OG 3.39Å; F179-S182 WeakPolarHBondContact CZ-OG 3.49Å | ||
| 183 | C | 96.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 3% | 0.027 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 154.1 | -179.3 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | C106 Y109 A175 | C106-C183 WeakPolarHBondContact CA-SG 3.45Å; C106-C183 HydrophobicContact CB-CB 4Å; C106-C183 WeakPolarHBondContact CB-SG 3.3Å; C106-C183 WeakPolarHBondContact O-CB 3.18Å; C106-C183 WeakPolarHBondContact SG-CB 3.35Å; C106-C183 CovalentContact SG-SG 2.02Å; C106-C183 PolarHBondContact SG-SG 3.27Å; Y109-C183 HydrophobicContact CD1-CB 3.94Å; Y109-C183 VanDerWaalsContact CD1-O 3.23Å; Y109-C183 WeakPolarHBondContact CD1-O 3.21Å; Y109-C183 WeakPolarHBondContact CE1-O 3.45Å; A175-C183 CarbonylContact O-C 3.55Å; A175-C183 VanDerWaalsContact O-CA 3.28Å; A175-C183 WeakPolarHBondContact O-CA 3.36Å; A175-C183 WeakPolarHBondContact O-CB 3.47Å |
| 184 | T | 95.7 | Very high | 91.3 | Very high | 19 Ų | 19 | 19.3 Ų | 19.3 | 12% | 0.117 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | -176.3 | -178.6 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | Y174 A175 E177 Y268 | Y174-T184 CarbonylContact C-O 3.56Å; Y174-T184 WeakPolarHBondContact CA-O 3.43Å; A175-T184 PolarHBondContact N-O 3.3Å; A175-T184 PolarHBondContact O-N 3.32Å; E177-T184 HydrophobicContact CG-CG2 3.87Å; E177-T184 WeakPolarHBondContact OE1-CB 3.35Å; E177-T184 WeakPolarHBondContact OE1-CG2 3.14Å; T184-Y268 VanDerWaalsContact CB-OH 3.25Å; T184-Y268 WeakPolarHBondContact CB-OH 3.37Å; T184-Y268 WeakPolarHBondContact CG2-OH 3.48Å; T184-Y268 PolarHBondContact OG1-OH 2.81Å |
| 185 | L | 95.1 | Very high | 91 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137 | 168.8 | -74.4 | 168.7 | 0 | 0 | 0 | 110.3 | F114 P167 Y174 W187 I203 | F114-L185 HydrophobicContact CD1-CD1 3.83Å; F114-L185 HydrophobicContact CD1-CD2 3.87Å; F114-L185 HydrophobicContact CD1-CG 4.04Å; F114-L185 HydrophobicContact CD2-CD1 4.3Å; F114-L185 HydrophobicContact CE1-CD1 3.76Å; F114-L185 HydrophobicContact CE1-CD2 4.08Å; F114-L185 HydrophobicContact CE1-CG 4.35Å; F114-L185 HydrophobicContact CE2-CD1 4.23Å; F114-L185 HydrophobicContact CG-CD1 4.13Å; F114-L185 HydrophobicContact CG-CG 4.42Å; F114-L185 HydrophobicContact CZ-CD1 3.98Å; P167-L185 HydrophobicContact CG-CD2 3.61Å; Y174-L185 HydrophobicContact CD1-CD2 4.05Å; Y174-L185 HydrophobicContact CD1-CG 4.38Å; Y174-L185 HydrophobicContact CE1-CD2 3.51Å; Y174-L185 HydrophobicContact CE1-CG 3.94Å; L185-W187 HydrophobicContact CB-CZ2 4.31Å; L185-W187 HydrophobicContact CD1-CH2 4.29Å; L185-W187 HydrophobicContact CD1-CZ2 4.23Å; L185-W187 PolarHBondContact O-N 3.43Å; L185-W187 PolarHBondContact O-NE1 3.07Å; L185-I203 HydrophobicContact CD1-CG2 4Å |
| 186 | D | 93.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | trans | -72.8 | 91.7 | 176.5 | -173.5 | 5 | 0 | 0 | 0 | 111.6 | Y17 D173 A175 W188 L189 | Y17-D186 PolarHBondContact OH-OD2 3.22Å; D173-D186 HydrophobicContact CB-CB 4.4Å; D173-D186 WeakPolarHBondContact O-CB 3.36Å; D173-D186 PolarHBondContact O-N 3.43Å; A175-D186 HydrophobicContact CB-CB 3.88Å; D186-W188 VanDerWaalsContact C-N 3.27Å; D186-W188 PolarHBondContact O-N 3.4Å; D186-W188 PolarHBondContact OD1-N 3.4Å; D186-W188 VanDerWaalsContact OD1-N 3.07Å; D186-L189 HydrophobicContact CB-CB 4.46Å; D186-L189 WeakPolarHBondContact O-CB 3.42Å; D186-L189 PolarHBondContact O-N 3Å; D186-L189 PolarHBondContact OD1-N 3.39Å | ||
| 187 | W | 91.8 | Very high | 90.6 | Very high | 19 Ų | 19 | 25.6 Ų | 25.6 | 7% | 0.072 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.1 | 177.6 | -59 | 106.5 | 0 | 0 | 0 | 112.9 | L185 L189 A190 I200 L204 S272 A276 | L185-W187 HydrophobicContact CB-CZ2 4.31Å; L185-W187 HydrophobicContact CD1-CH2 4.29Å; L185-W187 HydrophobicContact CD1-CZ2 4.23Å; L185-W187 PolarHBondContact O-N 3.43Å; L185-W187 PolarHBondContact O-NE1 3.07Å; W187-L189 PolarHBondContact O-N 3.43Å; W187-A190 WeakPolarHBondContact O-CB 3.18Å; W187-A190 PolarHBondContact O-N 3.3Å; W187-I200 HydrophobicContact CE3-CD1 4.01Å; W187-I200 HydrophobicContact CE3-CG2 3.95Å; W187-I200 HydrophobicContact CZ3-CD1 4.38Å; W187-I200 HydrophobicContact CZ3-CG2 4.12Å; W187-L204 HydrophobicContact CH2-CD2 4.36Å; W187-L204 HydrophobicContact CZ3-CD2 3.94Å; W187-L204 HydrophobicContact CZ3-CG 4.35Å; W187-S272 PolarHBondContact NE1-OG 2.9Å; W187-A276 HydrophobicContact CB-CB 4.38Å; W187-A276 WeakPolarHBondContact O-CA 3.27Å |
| 188 | W | 87.4 | Confident | 90.6 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.4 | -178.6 | -69.8 | -95 | 0 | 0 | 0 | 112.5 | P15 H16 P178 D186 A190 Q191 A192 | P15-W188 HydrophobicContact CB-CB 4.18Å; P15-W188 HydrophobicContact CG-CB 4.43Å; H16-W188 AromaticContact CE1-CE3 3.88Å; H16-W188 AromaticContact CE1-CH2 3.8Å; H16-W188 AromaticContact CE1-CZ3 3.59Å; H16-W188 AromaticContact ND1-CD2 3.66Å; H16-W188 AromaticContact ND1-CE2 3.63Å; H16-W188 AromaticContact ND1-CE3 3.63Å; H16-W188 AromaticContact ND1-CH2 3.71Å; H16-W188 AromaticContact ND1-CZ2 3.67Å; H16-W188 AromaticContact ND1-CZ3 3.66Å; P178-W188 HydrophobicContact CG-CH2 3.4Å; P178-W188 VanDerWaalsContact CG-CH2 3.4Å; P178-W188 HydrophobicContact CG-CZ2 3.8Å; P178-W188 HydrophobicContact CG-CZ3 4.45Å; D186-W188 VanDerWaalsContact C-N 3.27Å; D186-W188 PolarHBondContact O-N 3.4Å; D186-W188 PolarHBondContact OD1-N 3.4Å; D186-W188 VanDerWaalsContact OD1-N 3.07Å; W188-A190 PolarHBondContact O-N 3.21Å; W188-A190 VanDerWaalsContact O-N 3.11Å; W188-Q191 PolarHBondContact O-N 2.78Å; W188-A192 PolarHBondContact O-N 2.91Å |
| 189 | L | 84.9 | Confident | 90.8 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 19% | 0.188 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.3 | -27.3 | 173.7 | -160.2 | 71.8 | 0 | 0 | 0 | 112.3 | D186 W187 Q191 A192 S193 | D186-L189 HydrophobicContact CB-CB 4.46Å; D186-L189 WeakPolarHBondContact O-CB 3.42Å; D186-L189 PolarHBondContact O-N 3Å; D186-L189 PolarHBondContact OD1-N 3.39Å; W187-L189 PolarHBondContact O-N 3.43Å; L189-Q191 PolarHBondContact O-N 3.32Å; L189-A192 PolarHBondContact O-N 3.21Å; L189-S193 PolarHBondContact O-N 2.89Å |
| 190 | A | 86.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -27.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W187 W188 Q197 I200 A276 F277 | W187-A190 WeakPolarHBondContact O-CB 3.18Å; W187-A190 PolarHBondContact O-N 3.3Å; W188-A190 PolarHBondContact O-N 3.21Å; W188-A190 VanDerWaalsContact O-N 3.11Å; A190-Q197 WeakPolarHBondContact O-CB 3.36Å; A190-I200 HydrophobicContact CB-CB 4.06Å; A190-I200 HydrophobicContact CB-CG1 4.02Å; A190-I200 HydrophobicContact CB-CG2 4.25Å; A190-A276 HydrophobicContact CB-CB 3.94Å; A190-A276 WeakPolarHBondContact CB-O 3.35Å; A190-F277 HydrophobicContact CB-CE1 4.45Å |
| 191 | Q | 84.6 | Confident | 91 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 21% | 0.21 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -92.6 | -28.7 | 177.7 | -51.3 | -171.5 | 19.2 | 0 | 0 | 112 | W188 L189 S275 A276 G278 | W188-Q191 PolarHBondContact O-N 2.78Å; L189-Q191 PolarHBondContact O-N 3.32Å; Q191-S275 PolarHBondContact NE2-O 2.95Å; Q191-A276 WeakPolarHBondContact CG-O 3.32Å; Q191-G278 PolarHBondContact NE2-O 3.39Å |
| 192 | A | 83.3 | Confident | 91 | Very high | 53 Ų | 53 | 35.2 Ų | 35.2 | 44% | 0.438 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -76.6 | -32.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W188 L189 | W188-A192 PolarHBondContact O-N 2.91Å; L189-A192 PolarHBondContact O-N 3.21Å |
| 193 | S | 86.2 | Confident | 91 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | trans | -154.1 | 154.6 | -178 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | L189 G195 G196 Q197 | L189-S193 PolarHBondContact O-N 2.89Å; S193-G195 VanDerWaalsContact C-N 3.29Å; S193-G195 PolarHBondContact O-N 3.31Å; S193-G196 PolarHBondContact O-N 3.32Å; S193-G196 PolarHBondContact OG-N 3.19Å; S193-Q197 PolarHBondContact O-N 3.21Å | ||
| 194 | V | 88.6 | Confident | 91 | Very high | 111 Ų | 111 | 36.4 Ų | 36.4 | 67% | 0.673 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.1 | -39.4 | 173.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | Q197 V198 | V194-Q197 PolarHBondContact O-N 2.79Å; V194-V198 HydrophobicContact CG1-CG2 4.48Å; V194-V198 WeakPolarHBondContact O-CG2 3.44Å; V194-V198 PolarHBondContact O-N 2.87Å |
| 195 | G | 89.8 | Confident | 91 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S193 Q197 V198 F199 | S193-G195 VanDerWaalsContact C-N 3.29Å; S193-G195 PolarHBondContact O-N 3.31Å; G195-Q197 PolarHBondContact O-N 3.44Å; G195-V198 PolarHBondContact O-N 3.27Å; G195-F199 WeakPolarHBondContact O-CB 3.48Å; G195-F199 PolarHBondContact O-N 2.96Å |
| 196 | G | 89.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S193 F199 I200 | S193-G196 PolarHBondContact O-N 3.32Å; S193-G196 PolarHBondContact OG-N 3.19Å; G196-F199 PolarHBondContact O-N 3.35Å; G196-I200 WeakPolarHBondContact O-CG1 3.37Å; G196-I200 PolarHBondContact O-N 2.91Å |
| 197 | Q | 91.1 | Very high | 91.2 | Very high | 82 Ų | 82 | 43.3 Ų | 43.3 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 177.2 | -165.7 | -178.6 | -6.8 | 0 | 0 | 111.6 | A190 S193 V194 G195 F199 I200 L201 F277 | A190-Q197 WeakPolarHBondContact O-CB 3.36Å; S193-Q197 PolarHBondContact O-N 3.21Å; V194-Q197 PolarHBondContact O-N 2.79Å; G195-Q197 PolarHBondContact O-N 3.44Å; Q197-F199 VanDerWaalsContact C-N 3.33Å; Q197-F199 PolarHBondContact O-N 3.14Å; Q197-I200 PolarHBondContact O-N 3.16Å; Q197-L201 HydrophobicContact CG-CD1 4.29Å; Q197-L201 WeakPolarHBondContact O-CB 3.34Å; Q197-L201 VanDerWaalsContact O-CG 3.28Å; Q197-L201 WeakPolarHBondContact O-CG 3.29Å; Q197-L201 PolarHBondContact O-N 3.19Å; Q197-F277 HydrophobicContact CG-CE1 4.22Å |
| 198 | V | 93.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 47% | 0.473 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.6 | V194 G195 L201 N202 | V194-V198 HydrophobicContact CG1-CG2 4.48Å; V194-V198 WeakPolarHBondContact O-CG2 3.44Å; V194-V198 PolarHBondContact O-N 2.87Å; G195-V198 PolarHBondContact O-N 3.27Å; V198-L201 PolarHBondContact O-N 3.43Å; V198-N202 PolarHBondContact O-N 3.13Å; V198-N202 PolarHBondContact O-ND2 3.39Å |
| 199 | F | 93.1 | Very high | 91.7 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -51.8 | 177.1 | 171.8 | -104.7 | 0 | 0 | 0 | 112.1 | M166 P167 L171 G195 G196 Q197 L201 N202 I203 | M166-F199 HydrophobicContact CB-CE2 3.93Å; P167-F199 HydrophobicContact CG-CE1 4.28Å; P167-F199 HydrophobicContact CG-CE2 4.43Å; P167-F199 HydrophobicContact CG-CZ 3.62Å; L171-F199 HydrophobicContact CB-CD2 4.24Å; L171-F199 VanDerWaalsContact O-CB 3.23Å; L171-F199 WeakPolarHBondContact O-CB 3.11Å; L171-F199 WeakPolarHBondContact O-CD2 3.07Å; L171-F199 WeakPolarHBondContact O-CG 3.48Å; G195-F199 WeakPolarHBondContact O-CB 3.48Å; G195-F199 PolarHBondContact O-N 2.96Å; G196-F199 PolarHBondContact O-N 3.35Å; Q197-F199 VanDerWaalsContact C-N 3.33Å; Q197-F199 PolarHBondContact O-N 3.14Å; F199-L201 VanDerWaalsContact C-N 3.35Å; F199-L201 PolarHBondContact O-N 2.96Å; F199-N202 WeakPolarHBondContact O-CB 3.47Å; F199-N202 PolarHBondContact O-N 3.33Å; F199-N202 VanDerWaalsContact O-N 3.14Å; F199-I203 HydrophobicContact CD1-CG1 4.49Å; F199-I203 HydrophobicContact CD2-CG1 4.32Å; F199-I203 HydrophobicContact CE1-CG1 3.94Å; F199-I203 HydrophobicContact CE2-CD1 3.88Å; F199-I203 HydrophobicContact CE2-CG1 3.74Å; F199-I203 HydrophobicContact CZ-CD1 3.76Å; F199-I203 HydrophobicContact CZ-CG1 3.5Å; F199-I203 VanDerWaalsContact CZ-CG1 3.5Å; F199-I203 WeakPolarHBondContact O-CG1 3.41Å; F199-I203 PolarHBondContact O-N 3.4Å |
| 200 | I | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | -179.8 | -67 | -61.5 | 0 | 0 | 0 | 111.5 | W187 A190 G196 Q197 N202 I203 L204 A276 F277 | W187-I200 HydrophobicContact CE3-CD1 4.01Å; W187-I200 HydrophobicContact CE3-CG2 3.95Å; W187-I200 HydrophobicContact CZ3-CD1 4.38Å; W187-I200 HydrophobicContact CZ3-CG2 4.12Å; A190-I200 HydrophobicContact CB-CB 4.06Å; A190-I200 HydrophobicContact CB-CG1 4.02Å; A190-I200 HydrophobicContact CB-CG2 4.25Å; G196-I200 WeakPolarHBondContact O-CG1 3.37Å; G196-I200 PolarHBondContact O-N 2.91Å; Q197-I200 PolarHBondContact O-N 3.16Å; I200-N202 VanDerWaalsContact C-N 3.32Å; I200-N202 PolarHBondContact O-N 2.93Å; I200-I203 PolarHBondContact O-N 3.38Å; I200-L204 HydrophobicContact CG2-CD1 3.94Å; I200-L204 HydrophobicContact CG2-CG 4.29Å; I200-L204 WeakPolarHBondContact O-CB 3.46Å; I200-L204 VanDerWaalsContact O-CG 3.29Å; I200-L204 WeakPolarHBondContact O-CG 3.42Å; I200-L204 PolarHBondContact O-N 3.38Å; I200-A276 HydrophobicContact CG2-CB 4.01Å; I200-F277 HydrophobicContact CG2-CZ 4.43Å |
| 201 | L | 94.9 | Very high | 92.8 | Very high | 81 Ų | 81 | 51 Ų | 51 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 174.4 | -73.8 | 172.3 | 0 | 0 | 0 | 112.4 | Q197 V198 F199 L204 F205 F277 | Q197-L201 HydrophobicContact CG-CD1 4.29Å; Q197-L201 WeakPolarHBondContact O-CB 3.34Å; Q197-L201 VanDerWaalsContact O-CG 3.28Å; Q197-L201 WeakPolarHBondContact O-CG 3.29Å; Q197-L201 PolarHBondContact O-N 3.19Å; V198-L201 PolarHBondContact O-N 3.43Å; F199-L201 VanDerWaalsContact C-N 3.35Å; F199-L201 PolarHBondContact O-N 2.96Å; L201-L204 PolarHBondContact O-N 3.08Å; L201-F205 WeakPolarHBondContact O-CB 3.15Å; L201-F205 PolarHBondContact O-N 3.46Å; L201-F277 HydrophobicContact CD2-CE1 4.18Å; L201-F277 HydrophobicContact CD2-CE2 4.38Å; L201-F277 HydrophobicContact CD2-CZ 3.54Å; L201-F277 HydrophobicContact CG-CE1 4.46Å; L201-F277 HydrophobicContact CG-CZ 4.03Å |
| 202 | N | 95.4 | Very high | 93.4 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175 | -85.9 | -83.9 | 0 | 0 | 0 | 111.7 | W163 V198 F199 I200 L204 F205 F206 | W163-N202 HydrophobicContact CH2-CB 4.01Å; W163-N202 HydrophobicContact CZ3-CB 3.94Å; V198-N202 PolarHBondContact O-N 3.13Å; V198-N202 PolarHBondContact O-ND2 3.39Å; F199-N202 WeakPolarHBondContact O-CB 3.47Å; F199-N202 PolarHBondContact O-N 3.33Å; F199-N202 VanDerWaalsContact O-N 3.14Å; I200-N202 VanDerWaalsContact C-N 3.32Å; I200-N202 PolarHBondContact O-N 2.93Å; N202-L204 PolarHBondContact O-N 2.96Å; N202-F205 PolarHBondContact O-N 3.15Å; N202-F206 HydrophobicContact CB-CD2 4.4Å; N202-F206 WeakPolarHBondContact O-CB 3.23Å; N202-F206 WeakPolarHBondContact O-CD2 3.38Å; N202-F206 PolarHBondContact O-N 2.93Å; N202-F206 WeakPolarHBondContact OD1-CE2 3.37Å |
| 203 | I | 95.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 176.3 | -66.3 | -69.6 | 0 | 0 | 0 | 111 | F114 W163 L185 F199 I200 F205 C207 | F114-I203 HydrophobicContact CE1-CD1 3.95Å; F114-I203 HydrophobicContact CZ-CD1 3.9Å; F114-I203 HydrophobicContact CZ-CG2 3.98Å; W163-I203 HydrophobicContact CB-CD1 4.36Å; W163-I203 HydrophobicContact CD2-CD1 4.32Å; W163-I203 HydrophobicContact CE3-CD1 3.54Å; W163-I203 HydrophobicContact CZ3-CD1 4.22Å; L185-I203 HydrophobicContact CD1-CG2 4Å; F199-I203 HydrophobicContact CD1-CG1 4.49Å; F199-I203 HydrophobicContact CD2-CG1 4.32Å; F199-I203 HydrophobicContact CE1-CG1 3.94Å; F199-I203 HydrophobicContact CE2-CD1 3.88Å; F199-I203 HydrophobicContact CE2-CG1 3.74Å; F199-I203 HydrophobicContact CZ-CD1 3.76Å; F199-I203 HydrophobicContact CZ-CG1 3.5Å; F199-I203 VanDerWaalsContact CZ-CG1 3.5Å; F199-I203 WeakPolarHBondContact O-CG1 3.41Å; F199-I203 PolarHBondContact O-N 3.4Å; I200-I203 PolarHBondContact O-N 3.38Å; I203-F205 VanDerWaalsContact C-N 3.31Å; I203-F205 PolarHBondContact O-N 3.19Å; I203-C207 HydrophobicContact CG2-CB 4.23Å; I203-C207 WeakPolarHBondContact O-CA 3.27Å; I203-C207 WeakPolarHBondContact O-CB 3.43Å; I203-C207 PolarHBondContact O-N 3.33Å |
| 204 | L | 95.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 177.6 | -71.3 | 172.2 | 0 | 0 | 0 | 112 | W187 I200 L201 N202 L208 L209 V273 F277 | W187-L204 HydrophobicContact CH2-CD2 4.36Å; W187-L204 HydrophobicContact CZ3-CD2 3.94Å; W187-L204 HydrophobicContact CZ3-CG 4.35Å; I200-L204 HydrophobicContact CG2-CD1 3.94Å; I200-L204 HydrophobicContact CG2-CG 4.29Å; I200-L204 WeakPolarHBondContact O-CB 3.46Å; I200-L204 VanDerWaalsContact O-CG 3.29Å; I200-L204 WeakPolarHBondContact O-CG 3.42Å; I200-L204 PolarHBondContact O-N 3.38Å; L201-L204 PolarHBondContact O-N 3.08Å; N202-L204 PolarHBondContact O-N 2.96Å; L204-L208 HydrophobicContact CD2-CD2 4.06Å; L204-L208 WeakPolarHBondContact O-CB 3.28Å; L204-L208 PolarHBondContact O-N 3.02Å; L204-L209 WeakPolarHBondContact O-CB 3.2Å; L204-L209 PolarHBondContact O-N 3.25Å; L204-V273 HydrophobicContact CD1-CG2 3.94Å; L204-V273 HydrophobicContact CD2-CG2 3.58Å; L204-V273 HydrophobicContact CG-CG2 4.44Å; L204-F277 HydrophobicContact CD1-CE2 3.72Å; L204-F277 HydrophobicContact CD1-CZ 4.22Å |
| 205 | F | 96.6 | Very high | 95 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -70.7 | -57 | 178.5 | -177.4 | -100.9 | 0 | 0 | 0 | 112.1 | L201 N202 I203 L209 L210 | L201-F205 WeakPolarHBondContact O-CB 3.15Å; L201-F205 PolarHBondContact O-N 3.46Å; N202-F205 PolarHBondContact O-N 3.15Å; I203-F205 VanDerWaalsContact C-N 3.31Å; I203-F205 PolarHBondContact O-N 3.19Å; F205-L209 HydrophobicContact CD2-CD2 4.21Å; F205-L209 PolarHBondContact O-N 3.46Å; F205-L210 VanDerWaalsContact O-CB 3.29Å; F205-L210 WeakPolarHBondContact O-CB 3.44Å; F205-L210 PolarHBondContact O-N 3.31Å |
| 206 | F | 96.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -80.6 | -33.4 | -171 | -75.3 | -70.5 | 0 | 0 | 0 | 113.4 | Y159 W163 N202 L210 P211 | Y159-F206 VanDerWaalsContact OH-C 3.28Å; Y159-F206 WeakPolarHBondContact OH-CB 3.49Å; Y159-F206 PolarHBondContact OH-O 3.18Å; W163-F206 HydrophobicContact CH2-CB 3.98Å; W163-F206 AromaticContact CH2-CD2 3.38Å; W163-F206 HydrophobicContact CH2-CD2 3.38Å; W163-F206 HydrophobicContact CH2-CE2 4.08Å; W163-F206 AromaticContact CH2-CG 3.87Å; W163-F206 HydrophobicContact CH2-CG 3.87Å; W163-F206 HydrophobicContact CZ2-CB 3.38Å; W163-F206 HydrophobicContact CZ2-CD1 4.11Å; W163-F206 AromaticContact CZ2-CD2 3.35Å; W163-F206 HydrophobicContact CZ2-CD2 3.35Å; W163-F206 HydrophobicContact CZ2-CE2 4.13Å; W163-F206 AromaticContact CZ2-CG 3.34Å; W163-F206 HydrophobicContact CZ2-CG 3.34Å; N202-F206 HydrophobicContact CB-CD2 4.4Å; N202-F206 WeakPolarHBondContact O-CB 3.23Å; N202-F206 WeakPolarHBondContact O-CD2 3.38Å; N202-F206 PolarHBondContact O-N 2.93Å; N202-F206 WeakPolarHBondContact OD1-CE2 3.37Å; F206-L210 HydrophobicContact CD1-CD2 4.24Å; F206-P211 VanDerWaalsContact O-CD 3.28Å; F206-P211 WeakPolarHBondContact O-CD 3.2Å; F206-P211 VanDerWaalsContact O-CG 3.26Å; F206-P211 WeakPolarHBondContact O-CG 3.43Å |
| 207 | C | 95.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 50 Ų | 50 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -102.1 | -1.8 | -175.8 | -55.4 | 0 | 0 | 0 | 0 | 113.7 | F114 L121 I203 | F114-C207 HydrophobicContact CE2-CB 4.18Å; F114-C207 HydrophobicContact CZ-CB 4.1Å; L121-C207 WeakPolarHBondContact CD2-O 3.32Å; I203-C207 HydrophobicContact CG2-CB 4.23Å; I203-C207 WeakPolarHBondContact O-CA 3.27Å; I203-C207 WeakPolarHBondContact O-CB 3.43Å; I203-C207 PolarHBondContact O-N 3.33Å |
| 208 | L | 94.1 | Very high | 96 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 28% | 0.277 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -137.1 | -63.3 | 178.8 | 177.6 | 68.5 | 0 | 0 | 0 | 112.6 | L204 T212 A269 | L204-L208 HydrophobicContact CD2-CD2 4.06Å; L204-L208 WeakPolarHBondContact O-CB 3.28Å; L204-L208 PolarHBondContact O-N 3.02Å; L208-T212 WeakPolarHBondContact O-CB 3.37Å; L208-T212 PolarHBondContact O-N 3.2Å; L208-T212 PolarHBondContact O-OG1 3.25Å; L208-A269 HydrophobicContact CD1-CB 4.31Å; L208-A269 HydrophobicContact CD2-CB 3.7Å |
| 209 | L | 96.4 | Very high | 96.1 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 56% | 0.56 | 23% | 0.228 | S | C | * | . | I | π-helix | trans | -67.2 | -53.1 | -170.1 | -176 | 63.2 | 0 | 0 | 0 | 112.4 | L204 F205 T212 A213 | L204-L209 WeakPolarHBondContact O-CB 3.2Å; L204-L209 PolarHBondContact O-N 3.25Å; F205-L209 HydrophobicContact CD2-CD2 4.21Å; F205-L209 PolarHBondContact O-N 3.46Å; L209-T212 PolarHBondContact O-N 3.1Å; L209-A213 VanDerWaalsContact O-CB 3.24Å; L209-A213 WeakPolarHBondContact O-CB 3.31Å; L209-A213 PolarHBondContact O-N 3.2Å |
| 210 | L | 97.3 | Very high | 96.2 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.4 | -50.8 | -178.8 | 173.8 | 70.2 | 0 | 0 | 0 | 112.1 | F205 F206 T212 A213 V214 | F205-L210 VanDerWaalsContact O-CB 3.29Å; F205-L210 WeakPolarHBondContact O-CB 3.44Å; F205-L210 PolarHBondContact O-N 3.31Å; F206-L210 HydrophobicContact CD1-CD2 4.24Å; L210-T212 PolarHBondContact O-N 3.13Å; L210-A213 PolarHBondContact O-N 3.15Å; L210-V214 HydrophobicContact CD1-CG2 4.41Å; L210-V214 WeakPolarHBondContact O-CG2 3.44Å; L210-V214 PolarHBondContact O-N 3.49Å |
| 211 | P | 97.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.6 | -46 | 174.6 | -26.5 | 35.5 | 0 | 0 | 0 | 112.9 | L121 I122 T125 F206 A213 V214 I215 | L121-P211 HydrophobicContact CD1-CB 4.13Å; L121-P211 HydrophobicContact CD2-CB 3.94Å; L121-P211 HydrophobicContact CD2-CG 4.27Å; L121-P211 HydrophobicContact CG-CB 3.8Å; L121-P211 HydrophobicContact CG-CG 4.49Å; I122-P211 HydrophobicContact CD1-CB 4.07Å; I122-P211 HydrophobicContact CD1-CG 3.55Å; T125-P211 WeakPolarHBondContact OG1-CB 3.25Å; F206-P211 VanDerWaalsContact O-CD 3.28Å; F206-P211 WeakPolarHBondContact O-CD 3.2Å; F206-P211 VanDerWaalsContact O-CG 3.26Å; F206-P211 WeakPolarHBondContact O-CG 3.43Å; P211-A213 PolarHBondContact O-N 2.73Å; P211-V214 PolarHBondContact O-N 2.81Å; P211-I215 VanDerWaalsContact O-CG1 3.3Å; P211-I215 WeakPolarHBondContact O-CG1 3.05Å; P211-I215 PolarHBondContact O-N 3.39Å |
| 212 | T | 96.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 17% | 0.172 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | L208 L209 L210 V214 I215 V216 L262 | L208-T212 WeakPolarHBondContact O-CB 3.37Å; L208-T212 PolarHBondContact O-N 3.2Å; L208-T212 PolarHBondContact O-OG1 3.25Å; L209-T212 PolarHBondContact O-N 3.1Å; L210-T212 PolarHBondContact O-N 3.13Å; T212-V214 VanDerWaalsContact C-N 3.32Å; T212-V214 PolarHBondContact O-N 3.4Å; T212-I215 PolarHBondContact O-N 2.9Å; T212-V216 HydrophobicContact CG2-CG2 4.3Å; T212-V216 WeakPolarHBondContact O-CG2 3.36Å; T212-V216 PolarHBondContact O-N 2.82Å; T212-L262 HydrophobicContact CG2-CD1 4.12Å; T212-L262 HydrophobicContact CG2-CD2 3.79Å |
| 213 | A | 97.6 | Very high | 96 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L209 L210 P211 V216 F217 | L209-A213 VanDerWaalsContact O-CB 3.24Å; L209-A213 WeakPolarHBondContact O-CB 3.31Å; L209-A213 PolarHBondContact O-N 3.2Å; L210-A213 PolarHBondContact O-N 3.15Å; P211-A213 PolarHBondContact O-N 2.73Å; A213-V216 PolarHBondContact O-N 3.41Å; A213-F217 WeakPolarHBondContact O-CB 3.46Å; A213-F217 PolarHBondContact O-N 3.02Å |
| 214 | V | 97.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | T125 L129 L210 P211 T212 S218 | T125-V214 HydrophobicContact CG2-CB 3.85Å; T125-V214 HydrophobicContact CG2-CG1 3.55Å; L129-V214 HydrophobicContact CD1-CG1 3.79Å; L129-V214 HydrophobicContact CD2-CG1 3.61Å; L129-V214 HydrophobicContact CG-CG1 3.53Å; L210-V214 HydrophobicContact CD1-CG2 4.41Å; L210-V214 WeakPolarHBondContact O-CG2 3.44Å; L210-V214 PolarHBondContact O-N 3.49Å; P211-V214 PolarHBondContact O-N 2.81Å; T212-V214 VanDerWaalsContact C-N 3.32Å; T212-V214 PolarHBondContact O-N 3.4Å; V214-S218 VanDerWaalsContact O-CB 3.25Å; V214-S218 WeakPolarHBondContact O-CB 3.45Å; V214-S218 PolarHBondContact O-N 2.91Å; V214-S218 PolarHBondContact O-OG 2.88Å |
| 215 | I | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -53 | 176.5 | -70.3 | 169.5 | 0 | 0 | 0 | 110.5 | L121 M124 P211 T212 S218 Y219 C258 L262 | L121-I215 HydrophobicContact CD1-CD1 3.89Å; M124-I215 HydrophobicContact CB-CD1 4.09Å; P211-I215 VanDerWaalsContact O-CG1 3.3Å; P211-I215 WeakPolarHBondContact O-CG1 3.05Å; P211-I215 PolarHBondContact O-N 3.39Å; T212-I215 PolarHBondContact O-N 2.9Å; I215-S218 PolarHBondContact O-N 3.49Å; I215-Y219 HydrophobicContact CG2-CD2 3.86Å; I215-Y219 HydrophobicContact CG2-CE2 3.87Å; I215-Y219 VanDerWaalsContact O-CD2 3.27Å; I215-Y219 WeakPolarHBondContact O-CD2 3.45Å; I215-Y219 PolarHBondContact O-N 3.34Å; I215-Y219 VanDerWaalsContact O-N 3.1Å; I215-C258 HydrophobicContact CG2-CB 3.87Å; I215-L262 HydrophobicContact CG2-CD1 4.26Å |
| 216 | V | 96.9 | Very high | 95.1 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | -178.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | T212 A213 S218 Y219 V220 | T212-V216 HydrophobicContact CG2-CG2 4.3Å; T212-V216 WeakPolarHBondContact O-CG2 3.36Å; T212-V216 PolarHBondContact O-N 2.82Å; A213-V216 PolarHBondContact O-N 3.41Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.35Å; V216-Y219 PolarHBondContact O-N 3.17Å; V216-V220 HydrophobicContact CG1-CG2 4.19Å; V216-V220 WeakPolarHBondContact O-CB 3.32Å; V216-V220 VanDerWaalsContact O-CG2 3.25Å; V216-V220 WeakPolarHBondContact O-CG2 3.5Å; V216-V220 PolarHBondContact O-N 2.9Å |
| 217 | F | 97 | Very high | 94.5 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 45% | 0.447 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 177.2 | 173.2 | -94.8 | 0 | 0 | 0 | 111.9 | Y132 A213 Y219 V220 K221 | Y132-F217 HydrophobicContact CE1-CE1 4.14Å; A213-F217 WeakPolarHBondContact O-CB 3.46Å; A213-F217 PolarHBondContact O-N 3.02Å; F217-Y219 PolarHBondContact O-N 3.44Å; F217-V220 PolarHBondContact O-N 3.31Å; F217-K221 HydrophobicContact CD2-CG 4.39Å; F217-K221 HydrophobicContact CE1-CG 4.13Å; F217-K221 HydrophobicContact CE2-CD 4.42Å; F217-K221 VanDerWaalsContact CE2-CE 3.5Å; F217-K221 HydrophobicContact CE2-CG 4.01Å; F217-K221 HydrophobicContact CZ-CD 4.42Å; F217-K221 HydrophobicContact CZ-CG 3.87Å; F217-K221 WeakPolarHBondContact O-CG 3.22Å; F217-K221 PolarHBondContact O-N 2.85Å |
| 218 | S | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.9 | -50.2 | -179.6 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | V214 I215 V216 K221 I222 | V214-S218 VanDerWaalsContact O-CB 3.25Å; V214-S218 WeakPolarHBondContact O-CB 3.45Å; V214-S218 PolarHBondContact O-N 2.91Å; V214-S218 PolarHBondContact O-OG 2.88Å; I215-S218 PolarHBondContact O-N 3.49Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.35Å; S218-K221 PolarHBondContact O-N 2.95Å; S218-I222 WeakPolarHBondContact O-CD1 3.35Å; S218-I222 WeakPolarHBondContact O-CG1 3.44Å; S218-I222 PolarHBondContact O-N 2.88Å |
| 219 | Y | 95.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.4 | -34.3 | -177.4 | -71.9 | -55.6 | 0 | 0 | 0 | 113.8 | S128 I215 V216 F217 K221 I222 I223 T251 A254 M255 C258 | S128-Y219 WeakPolarHBondContact OG-CE2 3.48Å; S128-Y219 PolarHBondContact OG-OH 3.07Å; I215-Y219 HydrophobicContact CG2-CD2 3.86Å; I215-Y219 HydrophobicContact CG2-CE2 3.87Å; I215-Y219 VanDerWaalsContact O-CD2 3.27Å; I215-Y219 WeakPolarHBondContact O-CD2 3.45Å; I215-Y219 PolarHBondContact O-N 3.34Å; I215-Y219 VanDerWaalsContact O-N 3.1Å; V216-Y219 PolarHBondContact O-N 3.17Å; F217-Y219 PolarHBondContact O-N 3.44Å; Y219-K221 VanDerWaalsContact C-N 3.34Å; Y219-K221 PolarHBondContact O-N 3.05Å; Y219-I222 HydrophobicContact CD1-CD1 3.74Å; Y219-I222 HydrophobicContact CE1-CD1 4.08Å; Y219-I222 PolarHBondContact O-N 2.88Å; Y219-I223 WeakPolarHBondContact O-CB 3.15Å; Y219-I223 VanDerWaalsContact O-CG1 3.25Å; Y219-I223 WeakPolarHBondContact O-CG1 3.44Å; Y219-I223 PolarHBondContact O-N 3.28Å; Y219-T251 HydrophobicContact CE1-CG2 4.19Å; Y219-A254 VanDerWaalsContact OH-CB 3.23Å; Y219-A254 WeakPolarHBondContact OH-CB 3.2Å; Y219-A254 PolarHBondContact OH-O 2.91Å; Y219-M255 HydrophobicContact CD1-CB 3.96Å; Y219-M255 HydrophobicContact CD1-CE 3.61Å; Y219-M255 HydrophobicContact CD1-CG 4.07Å; Y219-M255 HydrophobicContact CD2-CG 4.48Å; Y219-M255 HydrophobicContact CE1-CB 3.75Å; Y219-M255 HydrophobicContact CE1-CE 4.37Å; Y219-M255 HydrophobicContact CE1-CG 4.34Å; Y219-M255 HydrophobicContact CE2-CB 4.48Å; Y219-M255 HydrophobicContact CG-CB 4.45Å; Y219-M255 HydrophobicContact CG-CE 4.14Å; Y219-M255 HydrophobicContact CG-CG 4.16Å; Y219-M255 PolarHBondContact OH-N 3.14Å; Y219-C258 HydrophobicContact CE2-CB 3.9Å |
| 220 | V | 95.9 | Very high | 90.9 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 172.3 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | V216 F217 I223 A224 | V216-V220 HydrophobicContact CG1-CG2 4.19Å; V216-V220 WeakPolarHBondContact O-CB 3.32Å; V216-V220 VanDerWaalsContact O-CG2 3.25Å; V216-V220 WeakPolarHBondContact O-CG2 3.5Å; V216-V220 PolarHBondContact O-N 2.9Å; F217-V220 PolarHBondContact O-N 3.31Å; V220-I223 PolarHBondContact O-N 2.82Å; V220-A224 WeakPolarHBondContact O-CB 3.31Å; V220-A224 PolarHBondContact O-N 3.05Å |
| 221 | K | 94.8 | Very high | 88.7 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 178.3 | -69.4 | -67.2 | -173.5 | 178.8 | 0 | 112.8 | Y132 F217 S218 Y219 A224 K225 | Y132-K221 HydrophobicContact CD2-CB 3.83Å; Y132-K221 HydrophobicContact CE2-CB 3.47Å; Y132-K221 VanDerWaalsContact CE2-CB 3.47Å; Y132-K221 HydrophobicContact CE2-CG 4Å; F217-K221 HydrophobicContact CD2-CG 4.39Å; F217-K221 HydrophobicContact CE1-CG 4.13Å; F217-K221 HydrophobicContact CE2-CD 4.42Å; F217-K221 VanDerWaalsContact CE2-CE 3.5Å; F217-K221 HydrophobicContact CE2-CG 4.01Å; F217-K221 HydrophobicContact CZ-CD 4.42Å; F217-K221 HydrophobicContact CZ-CG 3.87Å; F217-K221 WeakPolarHBondContact O-CG 3.22Å; F217-K221 PolarHBondContact O-N 2.85Å; S218-K221 PolarHBondContact O-N 2.95Å; Y219-K221 VanDerWaalsContact C-N 3.34Å; Y219-K221 PolarHBondContact O-N 3.05Å; K221-A224 PolarHBondContact O-N 2.8Å; K221-K225 WeakPolarHBondContact O-CB 3.47Å; K221-K225 PolarHBondContact O-N 3.32Å |
| 222 | I | 93.2 | Very high | 86.6 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.9 | -51.3 | 173.4 | -72.2 | 163.6 | 0 | 0 | 0 | 110.1 | R131 Y132 I135 S218 Y219 A224 K225 V226 T251 | R131-I222 HydrophobicContact CB-CD1 3.95Å; Y132-I222 HydrophobicContact CD2-CG1 4.44Å; I135-I222 HydrophobicContact CB-CG1 4.47Å; I135-I222 HydrophobicContact CG2-CG2 4.27Å; S218-I222 WeakPolarHBondContact O-CD1 3.35Å; S218-I222 WeakPolarHBondContact O-CG1 3.44Å; S218-I222 PolarHBondContact O-N 2.88Å; Y219-I222 HydrophobicContact CD1-CD1 3.74Å; Y219-I222 HydrophobicContact CE1-CD1 4.08Å; Y219-I222 PolarHBondContact O-N 2.88Å; I222-A224 VanDerWaalsContact C-N 3.32Å; I222-A224 PolarHBondContact O-N 3.48Å; I222-K225 PolarHBondContact O-N 3.4Å; I222-V226 HydrophobicContact CG2-CG2 4.31Å; I222-V226 VanDerWaalsContact O-CG2 3.25Å; I222-V226 WeakPolarHBondContact O-CG2 3.29Å; I222-V226 PolarHBondContact O-N 3.36Å; I222-T251 HydrophobicContact CD1-CG2 3.92Å; I222-T251 HydrophobicContact CG2-CG2 3.81Å |
| 223 | I | 92.8 | Very high | 84.7 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | -178.9 | -68.5 | 165 | 0 | 0 | 0 | 110.7 | Y219 V220 V226 K227 M255 | Y219-I223 WeakPolarHBondContact O-CB 3.15Å; Y219-I223 VanDerWaalsContact O-CG1 3.25Å; Y219-I223 WeakPolarHBondContact O-CG1 3.44Å; Y219-I223 PolarHBondContact O-N 3.28Å; V220-I223 PolarHBondContact O-N 2.82Å; I223-V226 PolarHBondContact O-N 2.95Å; I223-K227 HydrophobicContact CG2-CD 4.32Å; I223-K227 WeakPolarHBondContact O-CG 3.46Å; I223-K227 PolarHBondContact O-N 3.42Å; I223-M255 HydrophobicContact CD1-CE 3.91Å; I223-M255 HydrophobicContact CD1-SD 4.34Å; I223-M255 HydrophobicContact CG1-CE 3.86Å |
| 224 | A | 91.5 | Very high | 82.6 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 45% | 0.446 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V220 K221 I222 K227 S228 | V220-A224 WeakPolarHBondContact O-CB 3.31Å; V220-A224 PolarHBondContact O-N 3.05Å; K221-A224 PolarHBondContact O-N 2.8Å; I222-A224 VanDerWaalsContact C-N 3.32Å; I222-A224 PolarHBondContact O-N 3.48Å; A224-K227 PolarHBondContact O-N 3.44Å; A224-S228 PolarHBondContact O-N 3.5Å |
| 225 | K | 88.8 | Confident | 80.6 | Confident | 86 Ų | 86 | 78.5 Ų | 78.5 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 178 | -179.3 | 65.5 | 175.6 | 175.7 | 0 | 111.7 | K221 I222 S228 S229 | K221-K225 WeakPolarHBondContact O-CB 3.47Å; K221-K225 PolarHBondContact O-N 3.32Å; I222-K225 PolarHBondContact O-N 3.4Å; K225-S228 PolarHBondContact O-N 2.9Å; K225-S229 WeakPolarHBondContact O-CB 3.46Å; K225-S229 PolarHBondContact O-N 3.01Å |
| 226 | V | 86.8 | Confident | 78.9 | Confident | 37 Ų | 37 | 83.5 Ų | 83.5 | 22% | 0.224 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 179.2 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | I135 I222 I223 S228 S229 S230 M248 | I135-V226 HydrophobicContact CG2-CG2 4.17Å; I222-V226 HydrophobicContact CG2-CG2 4.31Å; I222-V226 VanDerWaalsContact O-CG2 3.25Å; I222-V226 WeakPolarHBondContact O-CG2 3.29Å; I222-V226 PolarHBondContact O-N 3.36Å; I223-V226 PolarHBondContact O-N 2.95Å; V226-S228 VanDerWaalsContact C-N 3.31Å; V226-S228 PolarHBondContact O-N 3.3Å; V226-S229 PolarHBondContact O-N 3.12Å; V226-S230 PolarHBondContact O-N 2.9Å; V226-S230 PolarHBondContact O-OG 2.84Å; V226-S230 VanDerWaalsContact O-OG 3.1Å; V226-M248 HydrophobicContact CB-CE 4.09Å; V226-M248 HydrophobicContact CG1-CE 3.52Å; V226-M248 HydrophobicContact CG2-CE 3.35Å; V226-M248 HydrophobicContact CG2-SD 3.78Å |
| 227 | K | 84.3 | Confident | 77.4 | Confident | 155 Ų | 155 | 84.7 Ų | 84.7 | 67% | 0.674 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.3 | -38 | 177.1 | -73.7 | -177.9 | 176.7 | -175.2 | 0 | 112.9 | I223 A224 | I223-K227 HydrophobicContact CG2-CD 4.32Å; I223-K227 WeakPolarHBondContact O-CG 3.46Å; I223-K227 PolarHBondContact O-N 3.42Å; A224-K227 PolarHBondContact O-N 3.44Å |
| 228 | S | 80.9 | Confident | 76.1 | Confident | 78 Ų | 78 | 84.3 Ų | 84.3 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.3 | -40.6 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | A224 K225 V226 | A224-S228 PolarHBondContact O-N 3.5Å; K225-S228 PolarHBondContact O-N 2.9Å; V226-S228 VanDerWaalsContact C-N 3.31Å; V226-S228 PolarHBondContact O-N 3.3Å |
| 229 | S | 71.4 | Confident | 74.7 | Confident | 27 Ų | 27 | 93.7 Ų | 93.7 | 19% | 0.189 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -81.1 | -22 | -172.9 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | K225 V226 K231 E232 V233 | K225-S229 WeakPolarHBondContact O-CB 3.46Å; K225-S229 PolarHBondContact O-N 3.01Å; V226-S229 PolarHBondContact O-N 3.12Å; S229-K231 PolarHBondContact O-N 2.82Å; S229-E232 PolarHBondContact O-N 3.1Å; S229-V233 VanDerWaalsContact O-CG2 3.25Å; S229-V233 WeakPolarHBondContact O-CG2 3.46Å |
| 230 | S | 59.5 | Low | 73.5 | Confident | 93 Ų | 93 | 97 Ų | 97 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -12.7 | 173 | -72.3 | 0 | 0 | 0 | 0 | 113.7 | V226 | V226-S230 PolarHBondContact O-N 2.9Å; V226-S230 PolarHBondContact O-OG 2.84Å; V226-S230 VanDerWaalsContact O-OG 3.1Å |
| 231 | K | 50.2 | Low | 72.4 | Confident | 190 Ų | 190 | 97.1 Ų | 97.1 | 83% | 0.826 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -12.4 | 174.8 | -63.3 | -175.1 | 177.6 | -175.3 | 0 | 114.6 | S229 | S229-K231 PolarHBondContact O-N 2.82Š|
| 232 | E | 54.2 | Low | 71.3 | Confident | 146 Ų | 146 | 95.2 Ų | 95.2 | 68% | 0.682 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | -2.1 | -169.3 | -69.7 | 178.2 | 170.6 | 0 | 0 | 114.9 | S229 A234 | S229-E232 PolarHBondContact O-N 3.1Å; E232-A234 VanDerWaalsContact C-N 3.27Å; E232-A234 PolarHBondContact O-N 3.42Å |
| 233 | V | 55.7 | Low | 70.5 | Confident | 42 Ų | 42 | 98.1 Ų | 98.1 | 26% | 0.255 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -83.1 | 8.6 | -169.4 | 173.6 | 0 | 0 | 0 | 0 | 114.2 | S229 H235 F236 | S229-V233 VanDerWaalsContact O-CG2 3.25Å; S229-V233 WeakPolarHBondContact O-CG2 3.46Å; V233-H235 VanDerWaalsContact C-N 3.26Å; V233-H235 PolarHBondContact O-N 2.85Å; V233-F236 HydrophobicContact CG1-CD2 4.21Å; V233-F236 HydrophobicContact CG2-CE2 4.43Å |
| 234 | A | 54.2 | Low | 69.8 | Low | 95 Ų | 95 | 97.3 Ų | 97.3 | 79% | 0.785 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -70.4 | -11.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E232 | E232-A234 VanDerWaalsContact C-N 3.27Å; E232-A234 PolarHBondContact O-N 3.42Å |
| 235 | H | 55.1 | Low | 69.3 | Low | 186 Ų | 186 | 98.5 Ų | 98.5 | 86% | 0.861 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -116.9 | 12.1 | -170.9 | -79.8 | -72.1 | 0 | 0 | 0 | 116.3 | V233 | V233-H235 VanDerWaalsContact C-N 3.26Å; V233-H235 PolarHBondContact O-N 2.85Å |
| 236 | F | 62.3 | Low | 69 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | trans | -84.5 | 139.9 | -178.7 | -75.6 | -74.8 | 0 | 0 | 0 | 113.9 | V233 I240 | V233-F236 HydrophobicContact CG1-CD2 4.21Å; V233-F236 HydrophobicContact CG2-CE2 4.43Å; F236-I240 HydrophobicContact CB-CG2 4.37Å; F236-I240 HydrophobicContact CD1-CB 4.47Å; F236-I240 HydrophobicContact CD1-CD1 4.43Å; F236-I240 HydrophobicContact CD1-CG2 3.78Å; F236-I240 HydrophobicContact CE1-CG2 4.43Å; F236-I240 HydrophobicContact CG-CG2 4.26Å | ||
| 237 | D | 65.1 | Low | 68.8 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | trans | -50.6 | 138 | 168.2 | -172.8 | -17.5 | 0 | 0 | 0 | 111.5 | R239 I240 H241 | D237-R239 PolarHBondContact O-N 3.39Å; D237-R239 PolarHBondContact OD1-N 3.35Å; D237-I240 HydrophobicContact CB-CD1 4.27Å; D237-I240 HydrophobicContact CB-CG1 4.4Å; D237-I240 WeakPolarHBondContact O-CB 3.4Å; D237-I240 PolarHBondContact O-N 2.87Å; D237-H241 PolarHBondContact O-N 2.57Å | ||
| 238 | S | 69.9 | Low | 68.8 | Low | 93 Ų | 93 | 91.6 Ų | 91.6 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -45.1 | -36 | 179 | 65.8 | 0 | 0 | 0 | 0 | 114.6 | S242 | S238-S242 PolarHBondContact O-N 3.17Å; S238-S242 PolarHBondContact O-OG 3.24Å |
| 239 | R | 66.7 | Low | 69 | Low | 198 Ų | 198 | 90.3 Ų | 90.3 | 75% | 0.747 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -74.7 | -37.4 | 179.7 | -164.8 | 179.1 | -172.7 | -165.7 | 2.9 | 112.8 | D237 S242 S243 | D237-R239 PolarHBondContact O-N 3.39Å; D237-R239 PolarHBondContact OD1-N 3.35Å; R239-S242 PolarHBondContact O-OG 2.87Å; R239-S243 PolarHBondContact O-N 3.44Å; R239-S243 PolarHBondContact O-OG 2.87Å |
| 240 | I | 69.7 | Low | 69.7 | Low | 84 Ų | 84 | 90.4 Ų | 90.4 | 43% | 0.431 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.1 | -41.2 | 174.8 | -62.2 | 175.9 | 0 | 0 | 0 | 108.9 | F236 D237 S243 H244 | F236-I240 HydrophobicContact CB-CG2 4.37Å; F236-I240 HydrophobicContact CD1-CB 4.47Å; F236-I240 HydrophobicContact CD1-CD1 4.43Å; F236-I240 HydrophobicContact CD1-CG2 3.78Å; F236-I240 HydrophobicContact CE1-CG2 4.43Å; F236-I240 HydrophobicContact CG-CG2 4.26Å; D237-I240 HydrophobicContact CB-CD1 4.27Å; D237-I240 HydrophobicContact CB-CG1 4.4Å; D237-I240 WeakPolarHBondContact O-CB 3.4Å; D237-I240 PolarHBondContact O-N 2.87Å; I240-S243 PolarHBondContact O-N 2.85Å; I240-H244 WeakPolarHBondContact O-CB 2.88Å; I240-H244 PolarHBondContact O-N 2.88Å |
| 241 | H | 73.3 | Confident | 71.1 | Confident | 91 Ų | 91 | 86.2 Ų | 86.2 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 176.4 | -171.7 | 80.3 | 0 | 0 | 0 | 112.4 | D237 S243 H244 V245 | D237-H241 PolarHBondContact O-N 2.57Å; H241-S243 VanDerWaalsContact C-N 3.34Å; H241-S243 PolarHBondContact O-N 2.93Å; H241-H244 PolarHBondContact O-N 3.08Å; H241-V245 WeakPolarHBondContact O-CG2 3.37Å; H241-V245 PolarHBondContact O-N 2.95Å |
| 242 | S | 71.9 | Confident | 73 | Confident | 56 Ų | 56 | 83.5 Ų | 83.5 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 178.8 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | S238 R239 L246 | S238-S242 PolarHBondContact O-N 3.17Å; S238-S242 PolarHBondContact O-OG 3.24Å; R239-S242 PolarHBondContact O-OG 2.87Å; S242-L246 PolarHBondContact O-N 2.86Å |
| 243 | S | 75.6 | Confident | 74.7 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 175 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | R239 I240 H241 L246 E247 | R239-S243 PolarHBondContact O-N 3.44Å; R239-S243 PolarHBondContact O-OG 2.87Å; I240-S243 PolarHBondContact O-N 2.85Å; H241-S243 VanDerWaalsContact C-N 3.34Å; H241-S243 PolarHBondContact O-N 2.93Å; S243-L246 WeakPolarHBondContact O-CB 3.08Å; S243-L246 PolarHBondContact O-N 3.11Å; S243-E247 WeakPolarHBondContact O-CG 3.46Å; S243-E247 PolarHBondContact O-N 3.32Å |
| 244 | H | 79 | Confident | 76.5 | Confident | 58 Ų | 58 | 76 Ų | 76 | 27% | 0.269 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 176.9 | -178.3 | -95.7 | 0 | 0 | 0 | 112.5 | I240 H241 L246 E247 M248 | I240-H244 WeakPolarHBondContact O-CB 2.88Å; I240-H244 PolarHBondContact O-N 2.88Å; H241-H244 PolarHBondContact O-N 3.08Å; H244-L246 PolarHBondContact O-N 2.93Å; H244-E247 PolarHBondContact O-N 2.9Å; H244-M248 WeakPolarHBondContact O-CB 3.23Å; H244-M248 VanDerWaalsContact O-CG 3.29Å; H244-M248 WeakPolarHBondContact O-CG 3.28Å; H244-M248 PolarHBondContact O-N 3.03Å |
| 245 | V | 81.6 | Confident | 78.3 | Confident | 80 Ų | 80 | 74 Ų | 74 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.9 | -40.4 | 175.5 | 169.9 | 0 | 0 | 0 | 0 | 111 | H241 M248 K249 | H241-V245 WeakPolarHBondContact O-CG2 3.37Å; H241-V245 PolarHBondContact O-N 2.95Å; V245-M248 PolarHBondContact O-N 3.4Å; V245-K249 PolarHBondContact O-N 3.18Å |
| 246 | L | 80.8 | Confident | 80.2 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -50.7 | 176.4 | 169.6 | 57.6 | 0 | 0 | 0 | 112.8 | S242 S243 H244 M248 K249 L250 V337 | S242-L246 PolarHBondContact O-N 2.86Å; S243-L246 WeakPolarHBondContact O-CB 3.08Å; S243-L246 PolarHBondContact O-N 3.11Å; H244-L246 PolarHBondContact O-N 2.93Å; L246-M248 PolarHBondContact O-N 2.78Å; L246-K249 WeakPolarHBondContact O-CB 3.49Å; L246-K249 PolarHBondContact O-N 2.9Å; L246-K249 VanDerWaalsContact O-N 3.09Å; L246-L250 HydrophobicContact CD1-CD1 4.18Å; L246-L250 HydrophobicContact CD1-CG 4.05Å; L246-L250 HydrophobicContact CG-CD1 4.32Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.92Å; L246-V337 HydrophobicContact CD1-CB 4.33Å; L246-V337 HydrophobicContact CD1-CG1 4.31Å; L246-V337 HydrophobicContact CD1-CG2 3.1Å; L246-V337 HydrophobicContact CD2-CB 4.23Å; L246-V337 HydrophobicContact CD2-CG1 3.5Å; L246-V337 HydrophobicContact CD2-CG2 3.69Å; L246-V337 HydrophobicContact CG-CG1 4.49Å; L246-V337 HydrophobicContact CG-CG2 3.97Å |
| 247 | E | 82.8 | Confident | 81.6 | Confident | 45 Ų | 45 | 64 Ų | 64 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -33.9 | 179.1 | -65.7 | -60.8 | 131.6 | 0 | 0 | 111.2 | R131 K134 I135 S243 H244 L250 T251 | R131-E247 IonicContact CZ-OE2 3.21Å; R131-E247 IonicContact NH1-OE2 3.72Å; R131-E247 PolarHBondContact NH1-OE2 3.33Å; R131-E247 IonicContact NH2-OE2 2.97Å; R131-E247 PolarHBondContact NH2-OE2 2.97Å; K134-E247 WeakPolarHBondContact CD-OE2 3.48Å; I135-E247 HydrophobicContact CD1-CB 3.97Å; S243-E247 WeakPolarHBondContact O-CG 3.46Å; S243-E247 PolarHBondContact O-N 3.32Å; H244-E247 PolarHBondContact O-N 2.9Å; E247-L250 PolarHBondContact O-N 2.67Å; E247-T251 WeakPolarHBondContact O-CB 3.41Å; E247-T251 PolarHBondContact O-N 2.62Å; E247-T251 PolarHBondContact O-OG1 3.41Å |
| 248 | M | 85 | Confident | 83.1 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 172.5 | -71.8 | -71.4 | -94.5 | 0 | 0 | 112.8 | I135 V226 H244 V245 L246 L250 T251 K252 | I135-M248 HydrophobicContact CD1-CG 4.32Å; I135-M248 HydrophobicContact CD1-SD 3.99Å; I135-M248 HydrophobicContact CG2-SD 4.46Å; V226-M248 HydrophobicContact CB-CE 4.09Å; V226-M248 HydrophobicContact CG1-CE 3.52Å; V226-M248 HydrophobicContact CG2-CE 3.35Å; V226-M248 HydrophobicContact CG2-SD 3.78Å; H244-M248 WeakPolarHBondContact O-CB 3.23Å; H244-M248 VanDerWaalsContact O-CG 3.29Å; H244-M248 WeakPolarHBondContact O-CG 3.28Å; H244-M248 PolarHBondContact O-N 3.03Å; V245-M248 PolarHBondContact O-N 3.4Å; L246-M248 PolarHBondContact O-N 2.78Å; M248-L250 PolarHBondContact O-N 3.04Å; M248-T251 PolarHBondContact O-N 3.42Å; M248-K252 PolarHBondContact O-N 3.22Å |
| 249 | K | 84.9 | Confident | 84.2 | Confident | 50 Ų | 50 | 57 Ų | 57 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 172.8 | 178.6 | 178.3 | 173.8 | 180 | 0 | 110.7 | V245 L246 T251 K252 V253 D310 F313 | V245-K249 PolarHBondContact O-N 3.18Å; L246-K249 WeakPolarHBondContact O-CB 3.49Å; L246-K249 PolarHBondContact O-N 2.9Å; L246-K249 VanDerWaalsContact O-N 3.09Å; K249-T251 VanDerWaalsContact C-N 3.3Å; K249-T251 PolarHBondContact O-N 3.19Å; K249-K252 PolarHBondContact O-N 3.3Å; K249-V253 VanDerWaalsContact O-CG2 3.24Å; K249-V253 WeakPolarHBondContact O-CG2 3.41Å; K249-V253 PolarHBondContact O-N 3.2Å; K249-D310 IonicContact NZ-OD1 3.46Å; K249-D310 PolarHBondContact NZ-OD1 3.1Å; K249-F313 HydrophobicContact CD-CD2 3.97Å; K249-F313 HydrophobicContact CD-CE2 3.66Å; K249-F313 HydrophobicContact CD-CZ 4.05Å; K249-F313 VanDerWaalsContact CE-CD2 3.49Å; K249-F313 HydrophobicContact CG-CE2 3.82Å; K249-F313 HydrophobicContact CG-CZ 4.09Å |
| 250 | L | 86.3 | Confident | 85.5 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 179.5 | -66.1 | 177.2 | 0 | 0 | 0 | 111.8 | L246 E247 M248 V253 A254 | L246-L250 HydrophobicContact CD1-CD1 4.18Å; L246-L250 HydrophobicContact CD1-CG 4.05Å; L246-L250 HydrophobicContact CG-CD1 4.32Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.92Å; E247-L250 PolarHBondContact O-N 2.67Å; M248-L250 PolarHBondContact O-N 3.04Å; L250-V253 PolarHBondContact O-N 3.09Å; L250-A254 WeakPolarHBondContact O-CB 3.41Å; L250-A254 PolarHBondContact O-N 3.02Å |
| 251 | T | 89.9 | Confident | 86.7 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 177 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | R131 Y219 I222 E247 M248 K249 A254 M255 | R131-T251 HydrophobicContact CB-CG2 4.15Å; R131-T251 WeakPolarHBondContact CD-OG1 3.45Å; R131-T251 HydrophobicContact CG-CG2 4.42Å; Y219-T251 HydrophobicContact CE1-CG2 4.19Å; I222-T251 HydrophobicContact CD1-CG2 3.92Å; I222-T251 HydrophobicContact CG2-CG2 3.81Å; E247-T251 WeakPolarHBondContact O-CB 3.41Å; E247-T251 PolarHBondContact O-N 2.62Å; E247-T251 PolarHBondContact O-OG1 3.41Å; M248-T251 PolarHBondContact O-N 3.42Å; K249-T251 VanDerWaalsContact C-N 3.3Å; K249-T251 PolarHBondContact O-N 3.19Å; T251-A254 PolarHBondContact O-N 3.4Å; T251-M255 WeakPolarHBondContact O-CB 3Å; T251-M255 PolarHBondContact O-N 3.1Å |
| 252 | K | 89.9 | Confident | 87.7 | Confident | 134 Ų | 134 | 41.6 Ų | 41.6 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.3 | -42.9 | 176.6 | -175.7 | 176.1 | -179.2 | 173.9 | 0 | 112.3 | M248 K249 M255 L256 | M248-K252 PolarHBondContact O-N 3.22Å; K249-K252 PolarHBondContact O-N 3.3Å; K252-M255 PolarHBondContact O-N 2.97Å; K252-L256 HydrophobicContact CG-CD1 4.37Å; K252-L256 WeakPolarHBondContact O-CG 3.4Å; K252-L256 PolarHBondContact O-N 3.06Å; K252-L256 VanDerWaalsContact O-N 3.09Å |
| 253 | V | 90.2 | Very high | 88.7 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -50.5 | 175 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | K249 L250 M255 L256 I257 I305 Y306 I309 | K249-V253 VanDerWaalsContact O-CG2 3.24Å; K249-V253 WeakPolarHBondContact O-CG2 3.41Å; K249-V253 PolarHBondContact O-N 3.2Å; L250-V253 PolarHBondContact O-N 3.09Å; V253-M255 VanDerWaalsContact C-N 3.33Å; V253-M255 PolarHBondContact O-N 3.34Å; V253-L256 PolarHBondContact O-N 2.78Å; V253-I257 HydrophobicContact CG1-CD1 3.85Å; V253-I257 WeakPolarHBondContact O-CG1 3.45Å; V253-I257 PolarHBondContact O-N 3.37Å; V253-I305 HydrophobicContact CG1-CG2 4.43Å; V253-Y306 HydrophobicContact CG1-CD1 3.94Å; V253-Y306 HydrophobicContact CG1-CE1 3.92Å; V253-I309 HydrophobicContact CB-CD1 3.93Å; V253-I309 HydrophobicContact CG1-CD1 4.11Å; V253-I309 HydrophobicContact CG2-CB 4.47Å; V253-I309 HydrophobicContact CG2-CD1 3.43Å; V253-I309 VanDerWaalsContact CG2-CD1 3.43Å; V253-I309 HydrophobicContact CG2-CG2 3.89Å |
| 254 | A | 91.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V127 R131 Y219 L250 T251 L256 I257 C258 | V127-A254 HydrophobicContact CG1-CB 3.71Å; R131-A254 HydrophobicContact CG-CB 4.38Å; Y219-A254 VanDerWaalsContact OH-CB 3.23Å; Y219-A254 WeakPolarHBondContact OH-CB 3.2Å; Y219-A254 PolarHBondContact OH-O 2.91Å; L250-A254 WeakPolarHBondContact O-CB 3.41Å; L250-A254 PolarHBondContact O-N 3.02Å; T251-A254 PolarHBondContact O-N 3.4Å; A254-L256 PolarHBondContact O-N 3.47Å; A254-I257 WeakPolarHBondContact O-CB 3.49Å; A254-I257 PolarHBondContact O-N 2.91Å; A254-C258 PolarHBondContact O-N 3.38Å; A254-C258 PolarHBondContact O-SG 2.89Å |
| 255 | M | 93.4 | Very high | 90.4 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 27% | 0.271 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.9 | -176 | -172.1 | -68.2 | 0 | 0 | 111.9 | Y219 I223 T251 K252 V253 C258 A259 | Y219-M255 HydrophobicContact CD1-CB 3.96Å; Y219-M255 HydrophobicContact CD1-CE 3.61Å; Y219-M255 HydrophobicContact CD1-CG 4.07Å; Y219-M255 HydrophobicContact CD2-CG 4.48Å; Y219-M255 HydrophobicContact CE1-CB 3.75Å; Y219-M255 HydrophobicContact CE1-CE 4.37Å; Y219-M255 HydrophobicContact CE1-CG 4.34Å; Y219-M255 HydrophobicContact CE2-CB 4.48Å; Y219-M255 HydrophobicContact CG-CB 4.45Å; Y219-M255 HydrophobicContact CG-CE 4.14Å; Y219-M255 HydrophobicContact CG-CG 4.16Å; Y219-M255 PolarHBondContact OH-N 3.14Å; I223-M255 HydrophobicContact CD1-CE 3.91Å; I223-M255 HydrophobicContact CD1-SD 4.34Å; I223-M255 HydrophobicContact CG1-CE 3.86Å; T251-M255 WeakPolarHBondContact O-CB 3Å; T251-M255 PolarHBondContact O-N 3.1Å; K252-M255 PolarHBondContact O-N 2.97Å; V253-M255 VanDerWaalsContact C-N 3.33Å; V253-M255 PolarHBondContact O-N 3.34Å; M255-C258 PolarHBondContact O-N 3.44Å; M255-A259 WeakPolarHBondContact O-CB 3.34Å; M255-A259 PolarHBondContact O-N 2.89Å |
| 256 | L | 93.4 | Very high | 91 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 177.6 | -71.9 | 167.9 | 0 | 0 | 0 | 112.1 | K252 V253 A254 A259 G260 I305 I309 | K252-L256 HydrophobicContact CG-CD1 4.37Å; K252-L256 WeakPolarHBondContact O-CG 3.4Å; K252-L256 PolarHBondContact O-N 3.06Å; K252-L256 VanDerWaalsContact O-N 3.09Å; V253-L256 PolarHBondContact O-N 2.78Å; A254-L256 PolarHBondContact O-N 3.47Å; L256-A259 PolarHBondContact O-N 3.49Å; L256-G260 PolarHBondContact O-N 2.96Å; L256-I305 HydrophobicContact CB-CD1 4.46Å; L256-I305 HydrophobicContact CB-CG2 4.03Å; L256-I309 HydrophobicContact CD1-CD1 3.7Å; L256-I309 HydrophobicContact CD1-CG1 4.36Å |
| 257 | I | 93.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 174.7 | -74.2 | 165.7 | 0 | 0 | 0 | 110.9 | L75 M124 V253 A254 A259 G260 F261 N302 I305 Y306 | L75-I257 HydrophobicContact CD2-CG2 3.79Å; M124-I257 HydrophobicContact CE-CG2 3.48Å; M124-I257 VanDerWaalsContact CE-CG2 3.48Å; M124-I257 HydrophobicContact CG-CG2 4.34Å; M124-I257 HydrophobicContact SD-CG2 3.99Å; V253-I257 HydrophobicContact CG1-CD1 3.85Å; V253-I257 WeakPolarHBondContact O-CG1 3.45Å; V253-I257 PolarHBondContact O-N 3.37Å; A254-I257 WeakPolarHBondContact O-CB 3.49Å; A254-I257 PolarHBondContact O-N 2.91Å; I257-A259 VanDerWaalsContact C-N 3.35Å; I257-A259 PolarHBondContact O-N 2.92Å; I257-G260 PolarHBondContact O-N 3.09Å; I257-F261 WeakPolarHBondContact O-CB 3.24Å; I257-F261 PolarHBondContact O-N 3.13Å; I257-N302 WeakPolarHBondContact CG2-OD1 3.25Å; I257-I305 HydrophobicContact CG1-CB 4.4Å; I257-I305 HydrophobicContact CG1-CD1 3.97Å; I257-I305 HydrophobicContact CG1-CG2 4.06Å; I257-Y306 HydrophobicContact CD1-CD1 4.28Å; I257-Y306 HydrophobicContact CD1-CE1 3.37Å; I257-Y306 WeakPolarHBondContact CD1-OH 3.43Å |
| 258 | C | 94.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 179.3 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | I215 Y219 A254 M255 F261 L262 | I215-C258 HydrophobicContact CG2-CB 3.87Å; Y219-C258 HydrophobicContact CE2-CB 3.9Å; A254-C258 PolarHBondContact O-N 3.38Å; A254-C258 PolarHBondContact O-SG 2.89Å; M255-C258 PolarHBondContact O-N 3.44Å; C258-F261 PolarHBondContact O-N 2.64Å; C258-L262 WeakPolarHBondContact O-CB 3.49Å; C258-L262 VanDerWaalsContact O-CG 3.31Å; C258-L262 WeakPolarHBondContact O-CG 2.95Å; C258-L262 PolarHBondContact O-N 2.74Å |
| 259 | A | 94.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M255 L256 I257 F261 L262 I263 | M255-A259 WeakPolarHBondContact O-CB 3.34Å; M255-A259 PolarHBondContact O-N 2.89Å; L256-A259 PolarHBondContact O-N 3.49Å; I257-A259 VanDerWaalsContact C-N 3.35Å; I257-A259 PolarHBondContact O-N 2.92Å; A259-F261 VanDerWaalsContact C-N 3.33Å; A259-F261 PolarHBondContact O-N 2.63Å; A259-L262 PolarHBondContact O-N 3.18Å; A259-I263 WeakPolarHBondContact O-CB 3.42Å; A259-I263 WeakPolarHBondContact O-CD1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.45Å; A259-I263 PolarHBondContact O-N 3.47Å |
| 260 | G | 94.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L256 I257 A264 | L256-G260 PolarHBondContact O-N 2.96Å; I257-G260 PolarHBondContact O-N 3.09Å; G260-A264 WeakPolarHBondContact O-CB 3.46Å; G260-A264 PolarHBondContact O-N 3.32Å; G260-A264 VanDerWaalsContact O-N 3.13Å |
| 261 | F | 93.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -52.6 | 174.7 | -173.6 | -85.7 | 0 | 0 | 0 | 111.6 | L121 M124 I257 C258 A259 I263 A264 W265 A298 | L121-F261 HydrophobicContact CB-CE1 4.06Å; L121-F261 HydrophobicContact CB-CZ 4.09Å; L121-F261 HydrophobicContact CD1-CD1 4.34Å; L121-F261 HydrophobicContact CD1-CE1 3.9Å; L121-F261 HydrophobicContact CG-CE1 4.43Å; M124-F261 HydrophobicContact CE-CB 3.69Å; M124-F261 HydrophobicContact CE-CD2 3.57Å; M124-F261 HydrophobicContact CE-CE2 4.4Å; M124-F261 HydrophobicContact CE-CG 3.77Å; M124-F261 HydrophobicContact SD-CB 3.58Å; M124-F261 VanDerWaalsContact SD-CB 3.58Å; M124-F261 HydrophobicContact SD-CD1 4.22Å; M124-F261 HydrophobicContact SD-CD2 4.09Å; M124-F261 HydrophobicContact SD-CG 3.71Å; I257-F261 WeakPolarHBondContact O-CB 3.24Å; I257-F261 PolarHBondContact O-N 3.13Å; C258-F261 PolarHBondContact O-N 2.64Å; A259-F261 VanDerWaalsContact C-N 3.33Å; A259-F261 PolarHBondContact O-N 2.63Å; F261-I263 PolarHBondContact O-N 2.99Å; F261-A264 PolarHBondContact O-N 2.97Å; F261-A264 VanDerWaalsContact O-N 3.14Å; F261-W265 AromaticContact CD1-CD1 3.81Å; F261-W265 HydrophobicContact CD1-CG 4.28Å; F261-W265 AromaticContact CD2-CD1 3.78Å; F261-W265 AromaticContact CD2-NE1 3.7Å; F261-W265 HydrophobicContact CE1-CB 4.34Å; F261-W265 AromaticContact CE1-CD1 3.65Å; F261-W265 HydrophobicContact CE1-CD2 4.36Å; F261-W265 AromaticContact CE1-CG 3.86Å; F261-W265 HydrophobicContact CE1-CG 3.86Å; F261-W265 AromaticContact CE1-NE1 4Å; F261-W265 AromaticContact CE2-CD1 3.64Å; F261-W265 AromaticContact CE2-CE2 3.92Å; F261-W265 HydrophobicContact CE2-CG 4.46Å; F261-W265 AromaticContact CE2-NE1 3.24Å; F261-W265 AromaticContact CG-CD1 3.87Å; F261-W265 AromaticContact CZ-CD1 3.57Å; F261-W265 HydrophobicContact CZ-CD2 4.08Å; F261-W265 AromaticContact CZ-CE2 3.74Å; F261-W265 AromaticContact CZ-CG 3.97Å; F261-W265 HydrophobicContact CZ-CG 3.97Å; F261-W265 HydrophobicContact CZ-CZ2 4.39Å; F261-W265 AromaticContact CZ-NE1 3.41Å; F261-W265 WeakPolarHBondContact O-CB 3.29Å; F261-W265 PolarHBondContact O-N 3.01Å; F261-A298 HydrophobicContact CD2-CB 4.35Å |
| 262 | L | 94 | Very high | 93.6 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | -178.9 | -69.1 | 177 | 0 | 0 | 0 | 111.9 | T212 I215 C258 A259 A264 W265 I266 | T212-L262 HydrophobicContact CG2-CD1 4.12Å; T212-L262 HydrophobicContact CG2-CD2 3.79Å; I215-L262 HydrophobicContact CG2-CD1 4.26Å; C258-L262 WeakPolarHBondContact O-CB 3.49Å; C258-L262 VanDerWaalsContact O-CG 3.31Å; C258-L262 WeakPolarHBondContact O-CG 2.95Å; C258-L262 PolarHBondContact O-N 2.74Å; A259-L262 PolarHBondContact O-N 3.18Å; L262-A264 VanDerWaalsContact C-N 3.27Å; L262-A264 PolarHBondContact O-N 3.46Å; L262-W265 PolarHBondContact O-N 3.48Å; L262-I266 HydrophobicContact CB-CD1 4.07Å; L262-I266 VanDerWaalsContact O-CB 3.27Å; L262-I266 WeakPolarHBondContact O-CB 3.25Å; L262-I266 WeakPolarHBondContact O-CD1 3.47Å; L262-I266 WeakPolarHBondContact O-CG1 3.19Å; L262-I266 PolarHBondContact O-N 2.94Å |
| 263 | I | 94.4 | Very high | 93.8 | Very high | 118 Ų | 118 | 37.1 Ų | 37.1 | 61% | 0.605 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -59.8 | -39.4 | 176.6 | -70.8 | 165.3 | 0 | 0 | 0 | 111.2 | A259 F261 P267 | A259-I263 WeakPolarHBondContact O-CB 3.42Å; A259-I263 WeakPolarHBondContact O-CD1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.45Å; A259-I263 PolarHBondContact O-N 3.47Å; F261-I263 PolarHBondContact O-N 2.99Å; I263-P267 WeakPolarHBondContact O-CD 3.25Å |
| 264 | A | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.6 | -35.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G260 F261 L262 L294 A295 A298 Y301 | G260-A264 WeakPolarHBondContact O-CB 3.46Å; G260-A264 PolarHBondContact O-N 3.32Å; G260-A264 VanDerWaalsContact O-N 3.13Å; F261-A264 PolarHBondContact O-N 2.97Å; F261-A264 VanDerWaalsContact O-N 3.14Å; L262-A264 VanDerWaalsContact C-N 3.27Å; L262-A264 PolarHBondContact O-N 3.46Å; A264-L294 HydrophobicContact CB-CG 4.18Å; A264-A295 WeakPolarHBondContact O-CA 3.35Å; A264-A295 PolarHBondContact O-N 2.75Å; A264-A298 HydrophobicContact CB-CB 3.84Å; A264-Y301 HydrophobicContact CB-CE2 3.79Å |
| 265 | W | 94.8 | Very high | 93.7 | Very high | 66 Ų | 66 | 42 Ų | 42 | 25% | 0.25 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -92.1 | -27.8 | -173 | -79.3 | 84.1 | 0 | 0 | 0 | 114.3 | F261 L262 Y268 A269 A295 | F261-W265 AromaticContact CD1-CD1 3.81Å; F261-W265 HydrophobicContact CD1-CG 4.28Å; F261-W265 AromaticContact CD2-CD1 3.78Å; F261-W265 AromaticContact CD2-NE1 3.7Å; F261-W265 HydrophobicContact CE1-CB 4.34Å; F261-W265 AromaticContact CE1-CD1 3.65Å; F261-W265 HydrophobicContact CE1-CD2 4.36Å; F261-W265 AromaticContact CE1-CG 3.86Å; F261-W265 HydrophobicContact CE1-CG 3.86Å; F261-W265 AromaticContact CE1-NE1 4Å; F261-W265 AromaticContact CE2-CD1 3.64Å; F261-W265 AromaticContact CE2-CE2 3.92Å; F261-W265 HydrophobicContact CE2-CG 4.46Å; F261-W265 AromaticContact CE2-NE1 3.24Å; F261-W265 AromaticContact CG-CD1 3.87Å; F261-W265 AromaticContact CZ-CD1 3.57Å; F261-W265 HydrophobicContact CZ-CD2 4.08Å; F261-W265 AromaticContact CZ-CE2 3.74Å; F261-W265 AromaticContact CZ-CG 3.97Å; F261-W265 HydrophobicContact CZ-CG 3.97Å; F261-W265 HydrophobicContact CZ-CZ2 4.39Å; F261-W265 AromaticContact CZ-NE1 3.41Å; F261-W265 WeakPolarHBondContact O-CB 3.29Å; F261-W265 PolarHBondContact O-N 3.01Å; L262-W265 PolarHBondContact O-N 3.48Å; W265-Y268 HydrophobicContact CE3-CD1 4.33Å; W265-Y268 HydrophobicContact CZ3-CD1 4.39Å; W265-Y268 PolarHBondContact O-N 3.27Å; W265-A269 PolarHBondContact O-N 3.09Å; W265-A295 HydrophobicContact CD2-CB 4.06Å; W265-A295 HydrophobicContact CE3-CB 4.22Å; W265-A295 HydrophobicContact CG-CB 4.4Å |
| 266 | I | 93.9 | Very high | 93.5 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 44% | 0.441 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57 | -46.8 | -179.5 | -76.6 | 165 | 0 | 0 | 0 | 112.1 | L262 Y268 A269 V270 | L262-I266 HydrophobicContact CB-CD1 4.07Å; L262-I266 VanDerWaalsContact O-CB 3.27Å; L262-I266 WeakPolarHBondContact O-CB 3.25Å; L262-I266 WeakPolarHBondContact O-CD1 3.47Å; L262-I266 WeakPolarHBondContact O-CG1 3.19Å; L262-I266 PolarHBondContact O-N 2.94Å; I266-Y268 VanDerWaalsContact C-N 3.27Å; I266-Y268 PolarHBondContact O-N 2.96Å; I266-A269 PolarHBondContact O-N 2.95Å; I266-A269 VanDerWaalsContact O-N 3.16Å; I266-V270 HydrophobicContact CG2-CG2 4.23Å; I266-V270 WeakPolarHBondContact O-CG2 3.3Å; I266-V270 PolarHBondContact O-N 3.21Å |
| 267 | P | 95.8 | Very high | 93.3 | Very high | 46 Ų | 46 | 40 Ų | 40 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58 | -41.4 | 178.5 | -28.4 | 38.5 | 0 | 0 | 0 | 112.5 | I263 V270 V271 P291 L294 | I263-P267 WeakPolarHBondContact O-CD 3.25Å; P267-V270 PolarHBondContact O-N 2.92Å; P267-V271 WeakPolarHBondContact O-CG2 3.35Å; P267-V271 PolarHBondContact O-N 3.34Å; P267-P291 HydrophobicContact CB-CB 3.87Å; P267-P291 HydrophobicContact CB-CG 4.25Å; P267-L294 HydrophobicContact CG-CD2 3.99Å |
| 268 | Y | 95 | Very high | 92.8 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 177.1 | -179.4 | -102.3 | 0 | 0 | 0 | 111.7 | E177 T184 W265 I266 V270 V271 S272 T292 A295 | E177-Y268 WeakPolarHBondContact OE1-CE2 3.45Å; E177-Y268 PolarHBondContact OE1-OH 2.02Å; T184-Y268 VanDerWaalsContact CB-OH 3.25Å; T184-Y268 WeakPolarHBondContact CB-OH 3.37Å; T184-Y268 WeakPolarHBondContact CG2-OH 3.48Å; T184-Y268 PolarHBondContact OG1-OH 2.81Å; W265-Y268 HydrophobicContact CE3-CD1 4.33Å; W265-Y268 HydrophobicContact CZ3-CD1 4.39Å; W265-Y268 PolarHBondContact O-N 3.27Å; I266-Y268 VanDerWaalsContact C-N 3.27Å; I266-Y268 PolarHBondContact O-N 2.96Å; Y268-V270 VanDerWaalsContact C-N 3.33Å; Y268-V270 PolarHBondContact O-N 3.06Å; Y268-V271 PolarHBondContact O-N 2.69Å; Y268-S272 WeakPolarHBondContact CE1-OG 3.4Å; Y268-S272 VanDerWaalsContact O-CB 3.31Å; Y268-S272 WeakPolarHBondContact O-CB 3.27Å; Y268-S272 PolarHBondContact O-N 2.74Å; Y268-S272 PolarHBondContact O-OG 3.3Å; Y268-T292 VanDerWaalsContact CD2-OG1 3.29Å; Y268-T292 WeakPolarHBondContact CD2-OG1 3.13Å; Y268-T292 HydrophobicContact CE2-CG2 4.32Å; Y268-T292 WeakPolarHBondContact CE2-OG1 3.38Å; Y268-A295 HydrophobicContact CG-CB 4.25Å |
| 269 | A | 94.3 | Very high | 92 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L208 W265 I266 S272 V273 | L208-A269 HydrophobicContact CD1-CB 4.31Å; L208-A269 HydrophobicContact CD2-CB 3.7Å; W265-A269 PolarHBondContact O-N 3.09Å; I266-A269 PolarHBondContact O-N 2.95Å; I266-A269 VanDerWaalsContact O-N 3.16Å; A269-S272 PolarHBondContact O-N 2.9Å; A269-V273 WeakPolarHBondContact O-CB 3.38Å; A269-V273 VanDerWaalsContact O-CG2 3.27Å; A269-V273 WeakPolarHBondContact O-CG2 3.06Å; A269-V273 PolarHBondContact O-N 3.19Å |
| 270 | V | 94.1 | Very high | 90.6 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 52% | 0.515 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | I266 P267 Y268 S272 V273 W274 | I266-V270 HydrophobicContact CG2-CG2 4.23Å; I266-V270 WeakPolarHBondContact O-CG2 3.3Å; I266-V270 PolarHBondContact O-N 3.21Å; P267-V270 PolarHBondContact O-N 2.92Å; Y268-V270 VanDerWaalsContact C-N 3.33Å; Y268-V270 PolarHBondContact O-N 3.06Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.89Å; V270-V273 PolarHBondContact O-N 2.91Å; V270-W274 WeakPolarHBondContact O-CB 3.46Å; V270-W274 PolarHBondContact O-N 3.32Å |
| 271 | V | 93.1 | Very high | 89.3 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.4 | -34.2 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 112 | P267 Y268 W274 S275 I283 L287 P291 | P267-V271 WeakPolarHBondContact O-CG2 3.35Å; P267-V271 PolarHBondContact O-N 3.34Å; Y268-V271 PolarHBondContact O-N 2.69Å; V271-W274 PolarHBondContact O-N 3.13Å; V271-S275 WeakPolarHBondContact O-CB 3.17Å; V271-S275 PolarHBondContact O-N 3.13Å; V271-S275 PolarHBondContact O-OG 2.81Å; V271-I283 HydrophobicContact CG1-CG2 4.12Å; V271-L287 WeakPolarHBondContact CG2-O 3.26Å; V271-P291 HydrophobicContact CG2-CG 4.14Å |
| 272 | S | 92.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 174.6 | -63 | 0 | 0 | 0 | 0 | 112.1 | W187 Y268 A269 V270 W274 S275 A276 | W187-S272 PolarHBondContact NE1-OG 2.9Å; Y268-S272 WeakPolarHBondContact CE1-OG 3.4Å; Y268-S272 VanDerWaalsContact O-CB 3.31Å; Y268-S272 WeakPolarHBondContact O-CB 3.27Å; Y268-S272 PolarHBondContact O-N 2.74Å; Y268-S272 PolarHBondContact O-OG 3.3Å; A269-S272 PolarHBondContact O-N 2.9Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.89Å; S272-W274 VanDerWaalsContact C-N 3.35Å; S272-S275 WeakPolarHBondContact O-CB 3.39Å; S272-S275 PolarHBondContact O-N 3.19Å; S272-A276 WeakPolarHBondContact O-CB 3.48Å; S272-A276 PolarHBondContact O-N 3.28Å |
| 273 | V | 92.9 | Very high | 87.6 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L204 A269 V270 S275 A276 F277 | L204-V273 HydrophobicContact CD1-CG2 3.94Å; L204-V273 HydrophobicContact CD2-CG2 3.58Å; L204-V273 HydrophobicContact CG-CG2 4.44Å; A269-V273 WeakPolarHBondContact O-CB 3.38Å; A269-V273 VanDerWaalsContact O-CG2 3.27Å; A269-V273 WeakPolarHBondContact O-CG2 3.06Å; A269-V273 PolarHBondContact O-N 3.19Å; V270-V273 PolarHBondContact O-N 2.91Å; V273-S275 VanDerWaalsContact C-N 3.32Å; V273-S275 PolarHBondContact O-N 2.87Å; V273-A276 PolarHBondContact O-N 3.16Å; V273-F277 HydrophobicContact CG1-CD2 3.89Å; V273-F277 HydrophobicContact CG1-CE2 4.3Å; V273-F277 WeakPolarHBondContact O-CD2 3.46Å; V273-F277 PolarHBondContact O-N 3.02Å |
| 274 | W | 91 | Very high | 87.2 | Confident | 125 Ų | 125 | 53.2 Ų | 53.2 | 47% | 0.473 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 172.3 | -165.4 | -28.8 | 0 | 0 | 0 | 110.3 | V270 V271 S272 A276 F277 G278 S282 I283 | V270-W274 WeakPolarHBondContact O-CB 3.46Å; V270-W274 PolarHBondContact O-N 3.32Å; V271-W274 PolarHBondContact O-N 3.13Å; S272-W274 VanDerWaalsContact C-N 3.35Å; W274-A276 VanDerWaalsContact C-N 3.26Å; W274-A276 PolarHBondContact O-N 3.11Å; W274-F277 PolarHBondContact O-N 2.69Å; W274-G278 WeakPolarHBondContact O-CA 3.25Å; W274-G278 PolarHBondContact O-N 2.64Å; W274-S282 PolarHBondContact NE1-OG 2.73Å; W274-I283 HydrophobicContact CB-CD1 3.95Å; W274-I283 HydrophobicContact CD2-CG1 4.3Å; W274-I283 HydrophobicContact CG-CD1 3.83Å; W274-I283 HydrophobicContact CG-CG1 4.06Å |
| 275 | S | 89 | Confident | 86.8 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -33.3 | 177 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | Q191 V271 S272 V273 I283 | Q191-S275 PolarHBondContact NE2-O 2.95Å; V271-S275 WeakPolarHBondContact O-CB 3.17Å; V271-S275 PolarHBondContact O-N 3.13Å; V271-S275 PolarHBondContact O-OG 2.81Å; S272-S275 WeakPolarHBondContact O-CB 3.39Å; S272-S275 PolarHBondContact O-N 3.19Å; V273-S275 VanDerWaalsContact C-N 3.32Å; V273-S275 PolarHBondContact O-N 2.87Å; S275-I283 WeakPolarHBondContact OG-CD1 3.48Å |
| 276 | A | 89.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.3 | -35.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | W187 A190 Q191 I200 S272 V273 W274 | W187-A276 HydrophobicContact CB-CB 4.38Å; W187-A276 WeakPolarHBondContact O-CA 3.27Å; A190-A276 HydrophobicContact CB-CB 3.94Å; A190-A276 WeakPolarHBondContact CB-O 3.35Å; Q191-A276 WeakPolarHBondContact CG-O 3.32Å; I200-A276 HydrophobicContact CG2-CB 4.01Å; S272-A276 WeakPolarHBondContact O-CB 3.48Å; S272-A276 PolarHBondContact O-N 3.28Å; V273-A276 PolarHBondContact O-N 3.16Å; W274-A276 VanDerWaalsContact C-N 3.26Å; W274-A276 PolarHBondContact O-N 3.11Å |
| 277 | F | 88.5 | Confident | 86.1 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -124.4 | -7.7 | -171.4 | -56.3 | -70.5 | 0 | 0 | 0 | 115.1 | A190 Q197 I200 L201 L204 V273 W274 | A190-F277 HydrophobicContact CB-CE1 4.45Å; Q197-F277 HydrophobicContact CG-CE1 4.22Å; I200-F277 HydrophobicContact CG2-CZ 4.43Å; L201-F277 HydrophobicContact CD2-CE1 4.18Å; L201-F277 HydrophobicContact CD2-CE2 4.38Å; L201-F277 HydrophobicContact CD2-CZ 3.54Å; L201-F277 HydrophobicContact CG-CE1 4.46Å; L201-F277 HydrophobicContact CG-CZ 4.03Å; L204-F277 HydrophobicContact CD1-CE2 3.72Å; L204-F277 HydrophobicContact CD1-CZ 4.22Å; V273-F277 HydrophobicContact CG1-CD2 3.89Å; V273-F277 HydrophobicContact CG1-CE2 4.3Å; V273-F277 WeakPolarHBondContact O-CD2 3.46Å; V273-F277 PolarHBondContact O-N 3.02Å; W274-F277 PolarHBondContact O-N 2.69Å |
| 278 | G | 84 | Confident | 85.7 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -91.9 | -177.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q191 W274 | Q191-G278 PolarHBondContact NE2-O 3.39Å; W274-G278 WeakPolarHBondContact O-CA 3.25Å; W274-G278 PolarHBondContact O-N 2.64Å |
| 279 | R | 77.4 | Confident | 85.7 | Confident | 196 Ų | 196 | 55.6 Ų | 55.6 | 74% | 0.74 | 29% | 0.288 | S | S | * | . | trans | -72.7 | 134.6 | 177.8 | -63.5 | -178.2 | -175.2 | 167.2 | 0.6 | 110.3 | D281 S282 | R279-D281 PolarHBondContact O-N 3.2Å; R279-D281 VanDerWaalsContact O-N 3.13Å; R279-S282 WeakPolarHBondContact O-CB 3.48Å; R279-S282 PolarHBondContact O-N 2.89Å; R279-S282 PolarHBondContact O-OG 3.3Å | ||
| 280 | P | 64.2 | Low | 85.7 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29 | -172.9 | 4.4 | -11.8 | 0 | 0 | 0 | 114.8 | E12 | E12-P280 WeakPolarHBondContact O-CG 3.46Š|
| 281 | D | 67 | Low | 85.8 | Confident | 97 Ų | 97 | 55.8 Ų | 55.8 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 5.1 | 177.8 | -70.7 | -46 | 0 | 0 | 0 | 114.8 | R19 R279 I283 | R19-D281 IonicContact CZ-OD1 2.57Å; R19-D281 IonicContact CZ-OD2 3.2Å; R19-D281 VanDerWaalsContact NH1-CG 3.26Å; R19-D281 IonicContact NH1-OD1 2.81Å; R19-D281 PolarHBondContact NH1-OD1 3.01Å; R19-D281 IonicContact NH1-OD2 2.93Å; R19-D281 PolarHBondContact NH1-OD2 2.8Å; R19-D281 IonicContact NH2-OD1 2.87Å; R19-D281 PolarHBondContact NH2-OD1 3.46Å; R19-D281 IonicContact NH2-OD2 2.73Å; R279-D281 PolarHBondContact O-N 3.2Å; R279-D281 VanDerWaalsContact O-N 3.13Å; D281-I283 PolarHBondContact O-N 3.35Å |
| 282 | S | 73.8 | Confident | 85.9 | Confident | 45 Ų | 45 | 55 Ų | 55 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | trans | -84 | -7.7 | -172.2 | 63 | 0 | 0 | 0 | 0 | 115.1 | W274 R279 P284 | W274-S282 PolarHBondContact NE1-OG 2.73Å; R279-S282 WeakPolarHBondContact O-CB 3.48Å; R279-S282 PolarHBondContact O-N 2.89Å; R279-S282 PolarHBondContact O-OG 3.3Å; S282-P284 VanDerWaalsContact O-CD 3.28Å; S282-P284 WeakPolarHBondContact O-CD 3.49Å | ||
| 283 | I | 78.7 | Confident | 86 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -109.8 | 106.7 | -172 | -55.3 | 174 | 0 | 0 | 0 | 110.4 | V271 W274 S275 D281 L287 S288 | V271-I283 HydrophobicContact CG1-CG2 4.12Å; W274-I283 HydrophobicContact CB-CD1 3.95Å; W274-I283 HydrophobicContact CD2-CG1 4.3Å; W274-I283 HydrophobicContact CG-CD1 3.83Å; W274-I283 HydrophobicContact CG-CG1 4.06Å; S275-I283 WeakPolarHBondContact OG-CD1 3.48Å; D281-I283 PolarHBondContact O-N 3.35Å; I283-L287 HydrophobicContact CG2-CB 4.29Å; I283-S288 WeakPolarHBondContact CG2-OG 3.42Å |
| 284 | P | 86.4 | Confident | 86.1 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | trans | -53.2 | 140.8 | 167.9 | -26.1 | 30.6 | 0 | 0 | 0 | 112.5 | S282 Q286 L287 S288 | S282-P284 VanDerWaalsContact O-CD 3.28Å; S282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-Q286 PolarHBondContact O-N 2.93Å; P284-Q286 VanDerWaalsContact O-N 3.13Å; P284-L287 HydrophobicContact CB-CG 4.39Å; P284-L287 HydrophobicContact CG-CD1 4.14Å; P284-L287 WeakPolarHBondContact O-CB 3.35Å; P284-L287 PolarHBondContact O-N 2.96Å; P284-S288 PolarHBondContact O-N 3.37Å | ||
| 285 | I | 87.1 | Confident | 86.3 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.6 | -37.5 | 179.3 | -62.4 | 167.8 | 0 | 0 | 0 | 111.6 | K27 L28 F179 L287 S288 V289 | K27-I285 HydrophobicContact CB-CD1 3.58Å; K27-I285 HydrophobicContact CD-CD1 4.18Å; L28-I285 HydrophobicContact CD2-CG2 3.66Å; L28-I285 HydrophobicContact CG-CG2 4.32Å; F179-I285 HydrophobicContact CB-CG2 3.83Å; I285-L287 VanDerWaalsContact C-N 3.29Å; I285-L287 PolarHBondContact O-N 2.95Å; I285-S288 WeakPolarHBondContact O-CA 3.37Å; I285-S288 WeakPolarHBondContact O-CB 3.15Å; I285-S288 PolarHBondContact O-N 3.41Å; I285-V289 PolarHBondContact O-N 3.28Å |
| 286 | Q | 85.8 | Confident | 86.6 | Confident | 112 Ų | 112 | 52.1 Ų | 52.1 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 178.2 | -60.6 | -58.5 | -24.7 | 0 | 0 | 112.8 | P284 S288 V290 | P284-Q286 PolarHBondContact O-N 2.93Å; P284-Q286 VanDerWaalsContact O-N 3.13Å; Q286-S288 PolarHBondContact O-N 3.35Å; Q286-V290 PolarHBondContact O-N 3.48Å |
| 287 | L | 87.4 | Confident | 86.9 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -74.4 | -14.1 | 175.3 | -66.7 | -177.4 | 0 | 0 | 0 | 112.5 | V271 I283 P284 I285 P291 | V271-L287 WeakPolarHBondContact CG2-O 3.26Å; I283-L287 HydrophobicContact CG2-CB 4.29Å; P284-L287 HydrophobicContact CB-CG 4.39Å; P284-L287 HydrophobicContact CG-CD1 4.14Å; P284-L287 WeakPolarHBondContact O-CB 3.35Å; P284-L287 PolarHBondContact O-N 2.96Å; I285-L287 VanDerWaalsContact C-N 3.29Å; I285-L287 PolarHBondContact O-N 2.95Å; L287-P291 WeakPolarHBondContact O-CD 3.31Å; L287-P291 VanDerWaalsContact O-CG 3.23Å; L287-P291 WeakPolarHBondContact O-CG 3.35Å |
| 288 | S | 88.9 | Confident | 87.1 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -88.2 | -45.7 | 171.3 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | I283 P284 I285 Q286 T292 | I283-S288 WeakPolarHBondContact CG2-OG 3.42Å; P284-S288 PolarHBondContact O-N 3.37Å; I285-S288 WeakPolarHBondContact O-CA 3.37Å; I285-S288 WeakPolarHBondContact O-CB 3.15Å; I285-S288 PolarHBondContact O-N 3.41Å; Q286-S288 PolarHBondContact O-N 3.35Å; S288-T292 VanDerWaalsContact O-CB 3.27Å; S288-T292 WeakPolarHBondContact O-CB 3.42Å; S288-T292 PolarHBondContact O-N 2.94Å; S288-T292 PolarHBondContact O-OG1 3.13Å |
| 289 | V | 93.2 | Very high | 87.4 | Confident | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.5 | -45.9 | -173.5 | 70.2 | 0 | 0 | 0 | 0 | 113 | L28 F179 I285 T292 L293 | L28-V289 HydrophobicContact CD1-CB 4.5Å; L28-V289 HydrophobicContact CD1-CG2 3.92Å; L28-V289 HydrophobicContact CD2-CB 4.48Å; L28-V289 HydrophobicContact CD2-CG1 4.22Å; F179-V289 HydrophobicContact CD1-CB 4.11Å; F179-V289 HydrophobicContact CD1-CG2 4.47Å; F179-V289 HydrophobicContact CE1-CB 4.47Å; F179-V289 HydrophobicContact CG-CB 4.4Å; F179-V289 HydrophobicContact CG-CG2 4.48Å; I285-V289 PolarHBondContact O-N 3.28Å; V289-T292 WeakPolarHBondContact O-CB 3.35Å; V289-T292 PolarHBondContact O-N 3.14Å; V289-L293 HydrophobicContact CG2-CD1 4.09Å; V289-L293 HydrophobicContact CG2-CG 4.18Å; V289-L293 WeakPolarHBondContact O-CG 3.22Å; V289-L293 PolarHBondContact O-N 3.41Å |
| 290 | V | 94.6 | Very high | 88.1 | Confident | 90 Ų | 90 | 38.9 Ų | 38.9 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -49.3 | -173.5 | 172.5 | 0 | 0 | 0 | 0 | 112 | Q286 T292 L293 L294 | Q286-V290 PolarHBondContact O-N 3.48Å; V290-T292 VanDerWaalsContact C-N 3.26Å; V290-T292 PolarHBondContact O-N 2.97Å; V290-L293 PolarHBondContact O-N 3.2Å; V290-L294 PolarHBondContact O-N 3.08Å |
| 291 | P | 95.7 | Very high | 89.4 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -35.9 | 174.5 | -28.7 | 41 | 0 | 0 | 0 | 113.2 | P267 V271 L287 L294 A295 | P267-P291 HydrophobicContact CB-CB 3.87Å; P267-P291 HydrophobicContact CB-CG 4.25Å; V271-P291 HydrophobicContact CG2-CG 4.14Å; L287-P291 WeakPolarHBondContact O-CD 3.31Å; L287-P291 VanDerWaalsContact O-CG 3.23Å; L287-P291 WeakPolarHBondContact O-CG 3.35Å; P291-L294 PolarHBondContact O-N 3.48Å; P291-A295 WeakPolarHBondContact O-CB 3.5Å; P291-A295 PolarHBondContact O-N 3.22Å |
| 292 | T | 95.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | F179 Y268 S288 V289 V290 L294 A295 K296 | F179-T292 HydrophobicContact CE1-CG2 4Å; F179-T292 HydrophobicContact CZ-CG2 3.74Å; Y268-T292 VanDerWaalsContact CD2-OG1 3.29Å; Y268-T292 WeakPolarHBondContact CD2-OG1 3.13Å; Y268-T292 HydrophobicContact CE2-CG2 4.32Å; Y268-T292 WeakPolarHBondContact CE2-OG1 3.38Å; S288-T292 VanDerWaalsContact O-CB 3.27Å; S288-T292 WeakPolarHBondContact O-CB 3.42Å; S288-T292 PolarHBondContact O-N 2.94Å; S288-T292 PolarHBondContact O-OG1 3.13Å; V289-T292 WeakPolarHBondContact O-CB 3.35Å; V289-T292 PolarHBondContact O-N 3.14Å; V290-T292 VanDerWaalsContact C-N 3.26Å; V290-T292 PolarHBondContact O-N 2.97Å; T292-L294 VanDerWaalsContact C-N 3.34Å; T292-A295 PolarHBondContact O-N 2.97Å; T292-K296 HydrophobicContact CG2-CD 4.46Å; T292-K296 VanDerWaalsContact CG2-CE 3.41Å; T292-K296 VanDerWaalsContact O-CG 3.3Å; T292-K296 WeakPolarHBondContact O-CG 3.32Å; T292-K296 PolarHBondContact O-N 3.32Å |
| 293 | L | 95.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.8 | -68.9 | -180 | 0 | 0 | 0 | 111.5 | A36 Y39 L40 V289 V290 K296 S297 | A36-L293 HydrophobicContact CB-CD1 4.18Å; A36-L293 HydrophobicContact CB-CD2 4.36Å; Y39-L293 HydrophobicContact CD1-CB 4.32Å; Y39-L293 HydrophobicContact CD1-CD2 4.22Å; Y39-L293 HydrophobicContact CE1-CB 3.91Å; Y39-L293 HydrophobicContact CE1-CD2 4.5Å; L40-L293 HydrophobicContact CD1-CD2 4.04Å; L40-L293 HydrophobicContact CD2-CD2 3.77Å; L40-L293 HydrophobicContact CG-CD2 3.89Å; V289-L293 HydrophobicContact CG2-CD1 4.09Å; V289-L293 HydrophobicContact CG2-CG 4.18Å; V289-L293 WeakPolarHBondContact O-CG 3.22Å; V289-L293 PolarHBondContact O-N 3.41Å; V290-L293 PolarHBondContact O-N 3.2Å; L293-K296 PolarHBondContact O-N 3.24Å; L293-S297 PolarHBondContact O-N 2.94Å; L293-S297 VanDerWaalsContact O-N 3.11Å |
| 294 | L | 95.8 | Very high | 91.1 | Very high | 55 Ų | 55 | 35.9 Ų | 35.9 | 29% | 0.288 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 176.6 | -174.9 | 68.1 | 0 | 0 | 0 | 111.6 | A264 P267 V290 P291 T292 K296 S297 Y301 | A264-L294 HydrophobicContact CB-CG 4.18Å; P267-L294 HydrophobicContact CG-CD2 3.99Å; V290-L294 PolarHBondContact O-N 3.08Å; P291-L294 PolarHBondContact O-N 3.48Å; T292-L294 VanDerWaalsContact C-N 3.34Å; L294-K296 VanDerWaalsContact C-N 3.32Å; L294-K296 PolarHBondContact O-N 3.03Å; L294-S297 WeakPolarHBondContact O-CB 3.24Å; L294-S297 PolarHBondContact O-N 3.32Å; L294-S297 PolarHBondContact O-OG 3.39Å; L294-Y301 WeakPolarHBondContact CD1-OH 3.37Å |
| 295 | A | 95.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A264 W265 Y268 P291 T292 S297 A298 | A264-A295 WeakPolarHBondContact O-CA 3.35Å; A264-A295 PolarHBondContact O-N 2.75Å; W265-A295 HydrophobicContact CD2-CB 4.06Å; W265-A295 HydrophobicContact CE3-CB 4.22Å; W265-A295 HydrophobicContact CG-CB 4.4Å; Y268-A295 HydrophobicContact CG-CB 4.25Å; P291-A295 WeakPolarHBondContact O-CB 3.5Å; P291-A295 PolarHBondContact O-N 3.22Å; T292-A295 PolarHBondContact O-N 2.97Å; A295-S297 PolarHBondContact O-N 2.9Å; A295-A298 VanDerWaalsContact O-CB 3.31Å; A295-A298 WeakPolarHBondContact O-CB 3.18Å; A295-A298 PolarHBondContact O-N 3.32Å |
| 296 | K | 94.6 | Very high | 90.7 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -24.1 | 176.4 | -70.4 | -179.6 | -156.4 | -60.4 | 0 | 112.9 | L40 K87 Y109 T292 L293 L294 | L40-K296 HydrophobicContact CD2-CB 4.25Å; L40-K296 HydrophobicContact CD2-CD 3.92Å; K87-K296 PolarHBondContact NZ-O 3.21Å; Y109-K296 PolarHBondContact OH-NZ 3.27Å; T292-K296 HydrophobicContact CG2-CD 4.46Å; T292-K296 VanDerWaalsContact CG2-CE 3.41Å; T292-K296 VanDerWaalsContact O-CG 3.3Å; T292-K296 WeakPolarHBondContact O-CG 3.32Å; T292-K296 PolarHBondContact O-N 3.32Å; L293-K296 PolarHBondContact O-N 3.24Å; L294-K296 VanDerWaalsContact C-N 3.32Å; L294-K296 PolarHBondContact O-N 3.03Å |
| 297 | S | 94.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -80 | -17.1 | -179.2 | 85 | 0 | 0 | 0 | 0 | 114 | Y39 L293 L294 A295 A299 M300 Y301 | Y39-S297 WeakPolarHBondContact OH-CB 3.34Å; Y39-S297 PolarHBondContact OH-OG 2.95Å; L293-S297 PolarHBondContact O-N 2.94Å; L293-S297 VanDerWaalsContact O-N 3.11Å; L294-S297 WeakPolarHBondContact O-CB 3.24Å; L294-S297 PolarHBondContact O-N 3.32Å; L294-S297 PolarHBondContact O-OG 3.39Å; A295-S297 PolarHBondContact O-N 2.9Å; S297-A299 PolarHBondContact O-N 3.14Å; S297-A299 VanDerWaalsContact O-N 3.1Å; S297-M300 WeakPolarHBondContact O-CG 3.23Å; S297-M300 PolarHBondContact O-N 3.5Å; S297-Y301 PolarHBondContact OG-OH 3.41Å |
| 298 | A | 94.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -53.3 | -36.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F261 A264 A295 M300 Y301 | F261-A298 HydrophobicContact CD2-CB 4.35Å; A264-A298 HydrophobicContact CB-CB 3.84Å; A295-A298 VanDerWaalsContact O-CB 3.31Å; A295-A298 WeakPolarHBondContact O-CB 3.18Å; A295-A298 PolarHBondContact O-N 3.32Å; A298-M300 PolarHBondContact O-N 2.99Å; A298-M300 VanDerWaalsContact O-N 3.09Å; A298-Y301 WeakPolarHBondContact O-CB 3.32Å; A298-Y301 PolarHBondContact O-N 3.37Å |
| 299 | A | 90.1 | Very high | 89 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -61.8 | -16.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S47 N51 D79 S297 | S47-A299 WeakPolarHBondContact OG-CB 3.19Å; S47-A299 PolarHBondContact OG-O 3.22Å; N51-A299 PolarHBondContact ND2-O 2.97Å; D79-A299 HydrophobicContact CB-CB 3.94Å; S297-A299 PolarHBondContact O-N 3.14Å; S297-A299 VanDerWaalsContact O-N 3.1Å |
| 300 | M | 92.1 | Very high | 87.7 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -90.2 | -18.8 | 175.8 | 93.7 | 177.8 | 108.2 | 0 | 0 | 113.1 | I43 L46 S297 A298 N302 P303 I304 | I43-M300 HydrophobicContact CB-CE 3.62Å; I43-M300 HydrophobicContact CB-SD 4.19Å; I43-M300 HydrophobicContact CG2-CE 3.14Å; I43-M300 HydrophobicContact CG2-SD 4.01Å; L46-M300 HydrophobicContact CD1-SD 4.11Å; S297-M300 WeakPolarHBondContact O-CG 3.23Å; S297-M300 PolarHBondContact O-N 3.5Å; A298-M300 PolarHBondContact O-N 2.99Å; A298-M300 VanDerWaalsContact O-N 3.09Å; M300-N302 VanDerWaalsContact C-N 3.32Å; M300-N302 PolarHBondContact O-N 3.41Å; M300-P303 WeakPolarHBondContact O-CD 3.07Å; M300-I304 HydrophobicContact CG-CD1 4.05Å; M300-I304 WeakPolarHBondContact O-CG1 3.21Å; M300-I304 HydrophobicContact SD-CD1 4.45Å |
| 301 | Y | 90.9 | Very high | 86.1 | Confident | 57 Ų | 57 | 36.8 Ų | 36.8 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.1 | -35.8 | -172.5 | -59.8 | -12.7 | 0 | 0 | 0 | 111.5 | A264 L294 S297 A298 I304 I305 | A264-Y301 HydrophobicContact CB-CE2 3.79Å; L294-Y301 WeakPolarHBondContact CD1-OH 3.37Å; S297-Y301 PolarHBondContact OG-OH 3.41Å; A298-Y301 WeakPolarHBondContact O-CB 3.32Å; A298-Y301 PolarHBondContact O-N 3.37Å; Y301-I304 PolarHBondContact O-N 3.34Å; Y301-I305 VanDerWaalsContact O-CG1 3.23Å; Y301-I305 WeakPolarHBondContact O-CG1 3.44Å; Y301-I305 PolarHBondContact O-N 3.21Å |
| 302 | N | 86.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -53.8 | -175.3 | -63.3 | -19.2 | 0 | 0 | 0 | 112.3 | L75 D79 I257 M300 I304 I305 Y306 | L75-N302 WeakPolarHBondContact CD2-ND2 3.25Å; D79-N302 PolarHBondContact OD2-ND2 3.08Å; I257-N302 WeakPolarHBondContact CG2-OD1 3.25Å; M300-N302 VanDerWaalsContact C-N 3.32Å; M300-N302 PolarHBondContact O-N 3.41Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 3.17Å; N302-I305 PolarHBondContact O-N 2.82Å; N302-Y306 HydrophobicContact CB-CE2 4.01Å; N302-Y306 WeakPolarHBondContact O-CD2 3.21Å; N302-Y306 WeakPolarHBondContact O-CE2 3.42Å; N302-Y306 VanDerWaalsContact O-CG 3.28Å; N302-Y306 PolarHBondContact O-N 2.99Å |
| 303 | P | 83.4 | Confident | 82.3 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.5 | -41.6 | 172 | -28.8 | 34.7 | 0 | 0 | 0 | 115 | G50 M300 Y306 Q307 | G50-P303 VanDerWaalsContact C-CG 3.42Å; M300-P303 WeakPolarHBondContact O-CD 3.07Å; P303-Y306 PolarHBondContact O-N 3.31Å; P303-Q307 WeakPolarHBondContact O-CG 3.3Å; P303-Q307 PolarHBondContact O-N 3.45Å; P303-Q307 VanDerWaalsContact O-N 3.1Å; P303-Q307 PolarHBondContact O-NE2 3.49Å |
| 304 | I | 85 | Confident | 80.5 | Confident | 80 Ų | 80 | 47.5 Ų | 47.5 | 41% | 0.41 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 179.4 | -63.7 | 169.8 | 0 | 0 | 0 | 109.8 | M300 Y301 N302 Y306 Q307 V308 | M300-I304 HydrophobicContact CG-CD1 4.05Å; M300-I304 WeakPolarHBondContact O-CG1 3.21Å; M300-I304 HydrophobicContact SD-CD1 4.45Å; Y301-I304 PolarHBondContact O-N 3.34Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 3.17Å; I304-Y306 VanDerWaalsContact C-N 3.34Å; I304-Y306 PolarHBondContact O-N 3.25Å; I304-Q307 PolarHBondContact O-N 2.57Å; I304-V308 HydrophobicContact CG2-CG2 4.04Å; I304-V308 WeakPolarHBondContact O-CB 3.24Å; I304-V308 VanDerWaalsContact O-CG2 3.31Å; I304-V308 WeakPolarHBondContact O-CG2 3.17Å; I304-V308 PolarHBondContact O-N 3.02Å |
| 305 | I | 85.4 | Confident | 78.3 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 178.7 | -67.6 | 164.3 | 0 | 0 | 0 | 110.6 | V253 L256 I257 Y301 N302 Q307 I309 | V253-I305 HydrophobicContact CG1-CG2 4.43Å; L256-I305 HydrophobicContact CB-CD1 4.46Å; L256-I305 HydrophobicContact CB-CG2 4.03Å; I257-I305 HydrophobicContact CG1-CB 4.4Å; I257-I305 HydrophobicContact CG1-CD1 3.97Å; I257-I305 HydrophobicContact CG1-CG2 4.06Å; Y301-I305 VanDerWaalsContact O-CG1 3.23Å; Y301-I305 WeakPolarHBondContact O-CG1 3.44Å; Y301-I305 PolarHBondContact O-N 3.21Å; N302-I305 PolarHBondContact O-N 2.82Å; I305-Q307 VanDerWaalsContact C-N 3.32Å; I305-Q307 PolarHBondContact O-N 3.21Å; I305-I309 HydrophobicContact CG2-CD1 3.55Å; I305-I309 HydrophobicContact CG2-CG1 4.38Å; I305-I309 WeakPolarHBondContact O-CB 3.38Å; I305-I309 VanDerWaalsContact O-CG1 3.23Å; I305-I309 WeakPolarHBondContact O-CG1 3.14Å; I305-I309 PolarHBondContact O-N 2.81Å; I305-I309 VanDerWaalsContact O-N 3.15Å |
| 306 | Y | 79.9 | Confident | 76.4 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 176.7 | -61 | -44.4 | 0 | 0 | 0 | 111.9 | V54 T72 V253 I257 N302 P303 I304 D310 | V54-Y306 HydrophobicContact CG2-CD2 3.86Å; V54-Y306 HydrophobicContact CG2-CE2 4.2Å; T72-Y306 HydrophobicContact CG2-CE1 4.21Å; T72-Y306 HydrophobicContact CG2-CE2 4.27Å; V253-Y306 HydrophobicContact CG1-CD1 3.94Å; V253-Y306 HydrophobicContact CG1-CE1 3.92Å; I257-Y306 HydrophobicContact CD1-CD1 4.28Å; I257-Y306 HydrophobicContact CD1-CE1 3.37Å; I257-Y306 WeakPolarHBondContact CD1-OH 3.43Å; N302-Y306 HydrophobicContact CB-CE2 4.01Å; N302-Y306 WeakPolarHBondContact O-CD2 3.21Å; N302-Y306 WeakPolarHBondContact O-CE2 3.42Å; N302-Y306 VanDerWaalsContact O-CG 3.28Å; N302-Y306 PolarHBondContact O-N 2.99Å; P303-Y306 PolarHBondContact O-N 3.31Å; I304-Y306 VanDerWaalsContact C-N 3.34Å; I304-Y306 PolarHBondContact O-N 3.25Å; Y306-D310 PolarHBondContact O-N 2.94Å |
| 307 | Q | 76.4 | Confident | 74.4 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.4 | -47.1 | -178.6 | -69.3 | 171.9 | 48.2 | 0 | 0 | 113.2 | P303 I304 I305 I309 D310 Y311 | P303-Q307 WeakPolarHBondContact O-CG 3.3Å; P303-Q307 PolarHBondContact O-N 3.45Å; P303-Q307 VanDerWaalsContact O-N 3.1Å; P303-Q307 PolarHBondContact O-NE2 3.49Å; I304-Q307 PolarHBondContact O-N 2.57Å; I305-Q307 VanDerWaalsContact C-N 3.32Å; I305-Q307 PolarHBondContact O-N 3.21Å; Q307-I309 VanDerWaalsContact C-N 3.3Å; Q307-I309 PolarHBondContact O-N 2.54Å; Q307-D310 PolarHBondContact O-N 3.4Å; Q307-Y311 PolarHBondContact O-N 3.36Å |
| 308 | V | 76.1 | Confident | 72.3 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 42% | 0.418 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | -178 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | I304 Y311 K312 | I304-V308 HydrophobicContact CG2-CG2 4.04Å; I304-V308 WeakPolarHBondContact O-CB 3.24Å; I304-V308 VanDerWaalsContact O-CG2 3.31Å; I304-V308 WeakPolarHBondContact O-CG2 3.17Å; I304-V308 PolarHBondContact O-N 3.02Å; V308-Y311 PolarHBondContact O-N 2.87Å; V308-K312 HydrophobicContact CG1-CD 4.5Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 3.07Å; V308-K312 VanDerWaalsContact O-N 3.08Å |
| 309 | I | 72.9 | Confident | 70 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 178.8 | -68.5 | 174 | 0 | 0 | 0 | 109.9 | V253 L256 I305 Q307 Y311 K312 F313 | V253-I309 HydrophobicContact CB-CD1 3.93Å; V253-I309 HydrophobicContact CG1-CD1 4.11Å; V253-I309 HydrophobicContact CG2-CB 4.47Å; V253-I309 HydrophobicContact CG2-CD1 3.43Å; V253-I309 VanDerWaalsContact CG2-CD1 3.43Å; V253-I309 HydrophobicContact CG2-CG2 3.89Å; L256-I309 HydrophobicContact CD1-CD1 3.7Å; L256-I309 HydrophobicContact CD1-CG1 4.36Å; I305-I309 HydrophobicContact CG2-CD1 3.55Å; I305-I309 HydrophobicContact CG2-CG1 4.38Å; I305-I309 WeakPolarHBondContact O-CB 3.38Å; I305-I309 VanDerWaalsContact O-CG1 3.23Å; I305-I309 WeakPolarHBondContact O-CG1 3.14Å; I305-I309 PolarHBondContact O-N 2.81Å; I305-I309 VanDerWaalsContact O-N 3.15Å; Q307-I309 VanDerWaalsContact C-N 3.3Å; Q307-I309 PolarHBondContact O-N 2.54Å; I309-Y311 PolarHBondContact O-N 2.87Å; I309-K312 PolarHBondContact O-N 3.43Å; I309-F313 HydrophobicContact CG2-CD2 3.71Å; I309-F313 HydrophobicContact CG2-CE2 3.56Å; I309-F313 WeakPolarHBondContact O-CD2 3.46Å; I309-F313 PolarHBondContact O-N 3.24Å |
| 310 | D | 67.4 | Low | 67.9 | Low | 40 Ų | 40 | 69.5 Ų | 69.5 | 21% | 0.214 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 179.4 | -77.6 | -16.9 | 0 | 0 | 0 | 112.8 | K249 Y306 Q307 F313 A314 L334 | K249-D310 IonicContact NZ-OD1 3.46Å; K249-D310 PolarHBondContact NZ-OD1 3.1Å; Y306-D310 PolarHBondContact O-N 2.94Å; Q307-D310 PolarHBondContact O-N 3.4Å; D310-F313 PolarHBondContact O-N 3.15Å; D310-A314 WeakPolarHBondContact O-CB 3.11Å; D310-A314 PolarHBondContact O-N 3Å; D310-L334 WeakPolarHBondContact OD2-CD1 3.18Å |
| 311 | Y | 60.3 | Low | 65.4 | Low | 174 Ų | 174 | 75.6 Ų | 75.6 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 174.1 | -177.4 | -98.1 | 0 | 0 | 0 | 112.7 | Q307 V308 I309 F313 A314 C315 | Q307-Y311 PolarHBondContact O-N 3.36Å; V308-Y311 PolarHBondContact O-N 2.87Å; I309-Y311 PolarHBondContact O-N 2.87Å; Y311-F313 VanDerWaalsContact C-N 3.27Å; Y311-F313 PolarHBondContact O-N 3.43Å; Y311-A314 PolarHBondContact O-N 3.35Å; Y311-C315 WeakPolarHBondContact O-CB 3.47Å; Y311-C315 PolarHBondContact O-N 3.12Å |
| 312 | K | 57.8 | Low | 62.9 | Low | 140 Ų | 140 | 82.9 Ų | 82.9 | 61% | 0.609 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59 | -40.3 | 177.7 | -76.2 | -174.6 | 177.4 | -174 | 0 | 111.7 | V308 I309 C316 | V308-K312 HydrophobicContact CG1-CD 4.5Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 3.07Å; V308-K312 VanDerWaalsContact O-N 3.08Å; I309-K312 PolarHBondContact O-N 3.43Å; K312-C316 PolarHBondContact O-N 2.53Å; K312-C316 VanDerWaalsContact O-N 3.07Å; K312-C316 PolarHBondContact O-SG 2.66Å |
| 313 | F | 54.2 | Low | 61.1 | Low | 84 Ų | 84 | 87.3 Ų | 87.3 | 37% | 0.368 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.5 | -39.4 | 177.9 | -79.4 | -68.1 | 0 | 0 | 0 | 113.1 | K249 I309 D310 Y311 C315 C316 Q317 | K249-F313 HydrophobicContact CD-CD2 3.97Å; K249-F313 HydrophobicContact CD-CE2 3.66Å; K249-F313 HydrophobicContact CD-CZ 4.05Å; K249-F313 VanDerWaalsContact CE-CD2 3.49Å; K249-F313 HydrophobicContact CG-CE2 3.82Å; K249-F313 HydrophobicContact CG-CZ 4.09Å; I309-F313 HydrophobicContact CG2-CD2 3.71Å; I309-F313 HydrophobicContact CG2-CE2 3.56Å; I309-F313 WeakPolarHBondContact O-CD2 3.46Å; I309-F313 PolarHBondContact O-N 3.24Å; D310-F313 PolarHBondContact O-N 3.15Å; Y311-F313 VanDerWaalsContact C-N 3.27Å; Y311-F313 PolarHBondContact O-N 3.43Å; F313-C315 VanDerWaalsContact C-N 3.34Å; F313-C316 PolarHBondContact O-N 3.3Å; F313-Q317 WeakPolarHBondContact O-CG 3.38Å; F313-Q317 PolarHBondContact O-N 3.4Å; F313-Q317 VanDerWaalsContact O-N 3.1Å |
| 314 | A | 57.3 | Low | 59 | Low | 50 Ų | 50 | 93.7 Ų | 93.7 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | D310 Y311 Q317 T318 | D310-A314 WeakPolarHBondContact O-CB 3.11Å; D310-A314 PolarHBondContact O-N 3Å; Y311-A314 PolarHBondContact O-N 3.35Å; A314-Q317 PolarHBondContact O-N 2.93Å; A314-T318 PolarHBondContact O-N 2.74Å; A314-T318 PolarHBondContact O-OG1 3.13Å |
| 315 | C | 50.1 | Low | 56.5 | Low | 65 Ų | 65 | 98.7 Ų | 98.7 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.7 | -45.7 | 178.3 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | Y311 F313 Q317 T318 G319 | Y311-C315 WeakPolarHBondContact O-CB 3.47Å; Y311-C315 PolarHBondContact O-N 3.12Å; F313-C315 VanDerWaalsContact C-N 3.34Å; C315-Q317 VanDerWaalsContact C-N 3.26Å; C315-Q317 PolarHBondContact O-N 3.28Å; C315-T318 WeakPolarHBondContact CA-OG1 3.29Å; C315-T318 PolarHBondContact O-N 3.25Å; C315-T318 PolarHBondContact O-OG1 3.31Å; C315-T318 VanDerWaalsContact O-OG1 3.09Å; C315-G319 PolarHBondContact O-N 3.47Å |
| 316 | C | 55.2 | Low | 54.4 | Low | 105 Ų | 105 | 107.7 Ų | 107.7 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.5 | -30 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | K312 F313 | K312-C316 PolarHBondContact O-N 2.53Å; K312-C316 VanDerWaalsContact O-N 3.07Å; K312-C316 PolarHBondContact O-SG 2.66Å; F313-C316 PolarHBondContact O-N 3.3Å |
| 317 | Q | 52.3 | Low | 52.1 | Low | 165 Ų | 165 | 116 Ų | 116 | 77% | 0.771 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.8 | -32.9 | 175 | -73.2 | -176.2 | -13.3 | 0 | 0 | 112.7 | F313 A314 C315 | F313-Q317 WeakPolarHBondContact O-CG 3.38Å; F313-Q317 PolarHBondContact O-N 3.4Å; F313-Q317 VanDerWaalsContact O-N 3.1Å; A314-Q317 PolarHBondContact O-N 2.93Å; C315-Q317 VanDerWaalsContact C-N 3.26Å; C315-Q317 PolarHBondContact O-N 3.28Å |
| 318 | T | 51.3 | Low | 49.8 | Very low | 93 Ų | 93 | 115.8 Ų | 115.8 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.7 | -13.1 | 175.5 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | A314 C315 G320 L321 | A314-T318 PolarHBondContact O-N 2.74Å; A314-T318 PolarHBondContact O-OG1 3.13Å; C315-T318 WeakPolarHBondContact CA-OG1 3.29Å; C315-T318 PolarHBondContact O-N 3.25Å; C315-T318 PolarHBondContact O-OG1 3.31Å; C315-T318 VanDerWaalsContact O-OG1 3.09Å; T318-G320 PolarHBondContact O-N 2.79Å; T318-L321 PolarHBondContact O-N 2.93Å; T318-L321 VanDerWaalsContact O-N 3.14Å |
| 319 | G | 45.1 | Very low | 47.8 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -3.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C315 | C315-G319 PolarHBondContact O-N 3.47Š|
| 320 | G | 45.4 | Very low | 45.8 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -6.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T318 | T318-G320 PolarHBondContact O-N 2.79Š|
| 321 | L | 40.4 | Very low | 44 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -144.8 | 120.7 | 174.4 | -98.1 | 108.4 | 0 | 0 | 0 | 111.3 | T318 | T318-L321 PolarHBondContact O-N 2.93Å; T318-L321 VanDerWaalsContact O-N 3.14Å |
| 322 | K | 38.8 | Very low | 42.7 | Very low | 210 Ų | 210 | 129 Ų | 129 | 91% | 0.913 | 72% | 0.715 | S | S | * | * | trans | -37.9 | 137.3 | -180 | -69.3 | 176.3 | 176.5 | 178 | 0 | 113.7 | T324 | K322-T324 PolarHBondContact O-N 3.48Š| ||
| 323 | A | 49 | Very low | 41.5 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 72% | 0.719 | S | S | * | * | trans | -50 | 121.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 324 | T | 38.2 | Very low | 40.5 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | -163.2 | 148.5 | 133.5 | -14.7 | 0 | 0 | 0 | 0 | 112.5 | K322 | K322-T324 PolarHBondContact O-N 3.48Š| ||
| 325 | K | 32.8 | Very low | 39.6 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | 88.9 | 93.5 | 163.9 | -73.9 | -177.2 | 174.9 | 176.7 | 0 | 118.4 | K327 | K325-K327 PolarHBondContact O-N 3.24Š| ||
| 326 | K | 41.3 | Very low | 38.8 | Very low | 216 Ų | 216 | 128.8 Ų | 128.8 | 94% | 0.939 | 70% | 0.698 | S | S | * | * | 18.7 | 88.6 | 125.6 | -160.3 | 176.3 | -172.4 | 179.2 | 0 | 113.3 | |||||
| 327 | K | 32.1 | Very low | 37.9 | Very low | 201 Ų | 201 | 126.5 Ų | 126.5 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -104.4 | 122.1 | 159.5 | -95.6 | -176.7 | 176.7 | 176.5 | 0 | 108.7 | K325 | K325-K327 PolarHBondContact O-N 3.24Š| ||
| 328 | S | 28.8 | Very low | 36.7 | Very low | 91 Ų | 91 | 122.3 Ų | 122.3 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -36.9 | 150.3 | 166.5 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | E330 | S328-E330 PolarHBondContact O-N 3.47Š| ||
| 329 | L | 34.3 | Very low | 35.7 | Very low | 181 Ų | 181 | 122.5 Ų | 122.5 | 95% | 0.948 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 50.9 | 176.3 | -160.2 | 95 | 0 | 0 | 0 | 112.5 | ||
| 330 | E | 30.6 | Very low | 35.1 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 85% | 0.85 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 9.1 | 175.1 | -75.4 | -168.4 | 126.6 | 0 | 0 | 112 | S328 | S328-E330 PolarHBondContact O-N 3.47Š|
| 331 | G | 29.7 | Very low | 34.2 | Very low | 59 Ų | 59 | 133 Ų | 133 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | trans | -113 | 18.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R333 | G331-R333 PolarHBondContact O-N 3.18Š| ||
| 332 | F | 32 | Very low | 33.8 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 69% | 0.689 | 68% | 0.681 | S | S | * | * | trans | -80.2 | 60 | 174.7 | -126.4 | -95.5 | 0 | 0 | 0 | 110.5 | Y53 L334 | Y53-F332 PolarHBondContact OH-O 2.93Å; F332-L334 PolarHBondContact O-N 3.4Å | ||
| 333 | R | 33.7 | Very low | 33.1 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 68% | 0.683 | 67% | 0.674 | S | S | * | * | trans | -68.1 | 101.9 | 167.1 | -80.3 | -167.9 | 178.1 | 178.1 | -3.4 | 107.4 | G331 H335 | G331-R333 PolarHBondContact O-N 3.18Å; R333-H335 WeakPolarHBondContact CD-CE1 3.3Å; R333-H335 WeakPolarHBondContact CD-NE2 3.44Å; R333-H335 PolarHBondContact NH1-CE1 3.47Å; R333-H335 PolarHBondContact O-N 3.07Å | ||
| 334 | L | 33.4 | Very low | 32 | Very low | 29 Ų | 29 | 131.4 Ų | 131.4 | 15% | 0.152 | 68% | 0.675 | C | S | . | * | trans | -62.1 | 83.9 | 156.5 | -162.9 | 80 | 0 | 0 | 0 | 107.3 | M57 R61 D310 F332 T336 | M57-L334 HydrophobicContact CE-CB 4.15Å; R61-L334 PolarHBondContact NH2-O 3.21Å; R61-L334 VanDerWaalsContact NH2-O 3.16Å; D310-L334 WeakPolarHBondContact OD2-CD1 3.18Å; F332-L334 PolarHBondContact O-N 3.4Å; L334-T336 PolarHBondContact O-N 2.9Å | ||
| 335 | H | 36.4 | Very low | 31.5 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 38% | 0.38 | 67% | 0.666 | S | S | . | * | trans | -76.3 | 76.9 | 175.9 | -88.1 | -44.2 | 0 | 0 | 0 | 108.4 | R333 V337 T338 | R333-H335 WeakPolarHBondContact CD-CE1 3.3Å; R333-H335 WeakPolarHBondContact CD-NE2 3.44Å; R333-H335 PolarHBondContact NH1-CE1 3.47Å; R333-H335 PolarHBondContact O-N 3.07Å; H335-V337 PolarHBondContact O-N 2.94Å; H335-T338 PolarHBondContact CD2-OG1 3.36Å; H335-T338 PolarHBondContact CE1-OG1 3.28Å; H335-T338 PolarHBondContact ND1-OG1 3.13Å; H335-T338 PolarHBondContact NE2-OG1 3.3Å | ||
| 336 | T | 33.5 | Very low | 31.2 | Very low | 43 Ų | 43 | 125.4 Ų | 125.4 | 26% | 0.264 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -68.1 | 96.1 | 147.5 | -30.8 | 0 | 0 | 0 | 0 | 105.8 | R61 R66 E69 L334 | R61-T336 PolarHBondContact NH2-OG1 3.41Å; R66-T336 VanDerWaalsContact NH2-CG2 3.31Å; E69-T336 HydrophobicContact CG-CG2 4.43Å; E69-T336 WeakPolarHBondContact OE1-CG2 3.35Å; L334-T336 PolarHBondContact O-N 2.9Å |
| 337 | V | 36.7 | Very low | 30.4 | Very low | 57 Ų | 57 | 122 Ų | 122 | 35% | 0.345 | 65% | 0.653 | S | S | . | * | trans | 59.5 | 80.9 | 165 | -162.8 | 0 | 0 | 0 | 0 | 115 | L246 H335 T339 | L246-V337 HydrophobicContact CD1-CB 4.33Å; L246-V337 HydrophobicContact CD1-CG1 4.31Å; L246-V337 HydrophobicContact CD1-CG2 3.1Å; L246-V337 HydrophobicContact CD2-CB 4.23Å; L246-V337 HydrophobicContact CD2-CG1 3.5Å; L246-V337 HydrophobicContact CD2-CG2 3.69Å; L246-V337 HydrophobicContact CG-CG1 4.49Å; L246-V337 HydrophobicContact CG-CG2 3.97Å; H335-V337 PolarHBondContact O-N 2.94Å; V337-T339 PolarHBondContact O-N 3.02Å | ||
| 338 | T | 27.6 | Very low | 30 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 47% | 0.472 | 64% | 0.644 | S | S | . | * | trans | -73.9 | 114.5 | 151.5 | -26.2 | 0 | 0 | 0 | 0 | 107.7 | H335 V340 | H335-T338 PolarHBondContact CD2-OG1 3.36Å; H335-T338 PolarHBondContact CE1-OG1 3.28Å; H335-T338 PolarHBondContact ND1-OG1 3.13Å; H335-T338 PolarHBondContact NE2-OG1 3.3Å; T338-V340 PolarHBondContact O-N 3.06Å | ||
| 339 | T | 30.8 | Very low | 29.8 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | trans | -38.1 | 132.8 | 152.2 | 32.2 | 0 | 0 | 0 | 0 | 110.9 | V337 R341 | V337-T339 PolarHBondContact O-N 3.02Å; T339-R341 PolarHBondContact O-N 3.49Å | ||
| 340 | V | 31.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 79% | 0.788 | 64% | 0.638 | S | S | * | * | trans | -40.4 | 124.5 | 170.9 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | T338 K342 | T338-V340 PolarHBondContact O-N 3.06Å; V340-K342 PolarHBondContact O-N 3.21Å | ||
| 341 | R | 27 | Very low | 29.2 | Very low | 232 Ų | 232 | 121.1 Ų | 121.1 | 88% | 0.875 | 64% | 0.64 | S | S | * | * | trans | -62.6 | 115 | 168.5 | -171.2 | 178.1 | -174.4 | 178.7 | -0.6 | 106.9 | T339 S343 | T339-R341 PolarHBondContact O-N 3.49Å; R341-S343 PolarHBondContact O-N 2.69Å | ||
| 342 | K | 31.2 | Very low | 28.9 | Very low | 195 Ų | 195 | 127.3 Ų | 127.3 | 85% | 0.848 | 65% | 0.653 | S | S | * | * | trans | -54.4 | 118.3 | 166.6 | -128.3 | -177.9 | -178.4 | -172.6 | 0 | 107.2 | V340 | V340-K342 PolarHBondContact O-N 3.21Š| ||
| 343 | S | 25.4 | Very low | 28.6 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 66% | 0.656 | S | S | * | * | trans | -124.5 | 82.8 | 163.3 | -163.5 | 0 | 0 | 0 | 0 | 106.4 | R341 | R341-S343 PolarHBondContact O-N 2.69Š| ||
| 344 | S | 25.5 | Very low | 28.2 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | -89 | 105.5 | 158.5 | -72.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 345 | A | 27.6 | Very low | 27.9 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 66% | 0.661 | 70% | 0.695 | S | S | * | * | trans | -136.7 | 119.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 101.8 | ||||
| 346 | V | 25.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | 176.3 | 138.3 | 81.7 | 153.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 347 | L | 24.7 | Very low | 27.2 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 64.8 | 140.9 | 153 | -66.2 | 163.2 | 0 | 0 | 0 | 118.1 | ||||
| 348 | E | 24.2 | Very low | 26.8 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | cis | -164.2 | 140 | 13.5 | -110 | 170.7 | 175 | 0 | 0 | 108.2 | ||||
| 349 | I | 24.6 | Very low | 26.8 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 67% | 0.672 | 79% | 0.785 | S | S | * | * | 81.4 | 129.3 | 117.2 | -65.7 | 169.3 | 0 | 0 | 0 | 117.1 | |||||
| 350 | H | 24.9 | Very low | 27.2 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 58.5 | 110.9 | 163 | -88.4 | -73.6 | 0 | 0 | 0 | 119.7 | ||||
| 351 | E | 27.1 | Very low | 27 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | -165.6 | 140.4 | 108.1 | -111.8 | -177.4 | 154.2 | 0 | 0 | 111.5 | |||||
| 352 | E | 24.2 | Very low | 27 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -65.4 | 157.1 | 174.1 | -71.8 | 171.9 | 114.7 | 0 | 0 | 112.4 | ||||
| 353 | G | 25 | Very low | 26.9 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 126 | 101.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 354 | R | 26.3 | Very low | 27 | Very low | 230 Ų | 230 | 139.6 Ų | 139.6 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | 104.2 | 101.2 | 122.2 | -158.4 | -179.1 | -97.8 | 178 | -5.7 | 117.4 | |||||
| 355 | N | 26.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | 175.7 | 119.4 | 107.3 | -103.6 | -26.1 | 0 | 0 | 0 | 111.5 | |||||
| 356 | K | 30 | Very low | 27.2 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -177.4 | 113.9 | 133.3 | -100.2 | 169.4 | -173.3 | -173.6 | 0 | 111.6 | ||||
| 357 | S | 25.7 | Very low | 27.2 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 50.5 | 107.3 | 131.8 | 171.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 358 | A | 28.7 | Very low | 27.4 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | -179.2 | 136.6 | 114.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 359 | S | 26.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -80 | -179 | 169.4 | -139.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 360 | P | 39.4 | Very low | 27.7 | Very low | 96 Ų | 96 | 139 Ų | 139 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | cis | -139.8 | -177.6 | -1.2 | 39.1 | -18.6 | 0 | 0 | 0 | 115.9 | ||||
| 361 | N | 27.7 | Very low | 27.7 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 108.3 | 111 | 149.6 | -65.1 | -14.2 | 0 | 0 | 0 | 120.3 | ||||
| 362 | N | 26.4 | Very low | 27.8 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 80.2 | 136.9 | 124.1 | -73.8 | -0.4 | 0 | 0 | 0 | 122.7 | |||||
| 363 | L | 30.3 | Very low | 28 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 98.5 | 95.1 | 152.5 | -64.9 | 142.4 | 0 | 0 | 0 | 117.7 | ||||
| 364 | D | 26.9 | Very low | 28.2 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 49.2 | 143.8 | 113.7 | -61.6 | -28.2 | 0 | 0 | 0 | 122.5 | |||||
| 365 | A | 29.7 | Very low | 28.3 | Very low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | 97.2 | 97 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 366 | D | 27.1 | Very low | 28.4 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | 57.8 | 121.5 | 112.1 | -81.2 | -19.6 | 0 | 0 | 0 | 122.1 | |||||
| 367 | S | 26.3 | Very low | 28.5 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | 95.8 | 145 | 120.4 | 75.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 368 | H | 28.5 | Very low | 28.6 | Very low | 165 Ų | 165 | 132 Ų | 132 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 77.6 | 105.9 | 160.9 | -74.1 | -68.5 | 0 | 0 | 0 | 117.7 | ||||
| 369 | S | 26.2 | Very low | 28.6 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | 88.9 | 134.9 | 62.1 | 71.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 370 | N | 27.8 | Very low | 29.1 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 95.9 | 114.2 | 154.2 | -75.6 | 17.4 | 0 | 0 | 0 | 120.5 | ||||
| 371 | D | 26.8 | Very low | 28.7 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | 62.2 | 130.2 | 119.6 | -59.7 | -26.5 | 0 | 0 | 0 | 120.3 | |||||
| 372 | G | 28.7 | Very low | 29.3 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 166.7 | 67.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 373 | D | 28.3 | Very low | 29.5 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -47 | 132.9 | 159.2 | 176.7 | 30.1 | 0 | 0 | 0 | 112.3 | ||||
| 374 | C | 28.5 | Very low | 29.4 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -174.3 | 113.1 | 130.3 | -141.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 375 | G | 27.6 | Very low | 29.6 | Very low | 60 Ų | 60 | 145.7 Ų | 145.7 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | trans | -69.3 | 150.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 376 | K | 29.7 | Very low | 29.6 | Very low | 209 Ų | 209 | 148.9 Ų | 148.9 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -155.7 | 111.6 | 149.9 | -105.6 | 167.2 | -168.7 | 178.8 | 0 | 109.7 | ||||
| 377 | K | 30.8 | Very low | 29.7 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | trans | -57.2 | 140.9 | 156 | -86.2 | 173.1 | 172.5 | 175 | 0 | 108.9 | ||||
| 378 | Y | 28.2 | Very low | 30 | Very low | 220 Ų | 220 | 152.3 Ų | 152.3 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | 170.8 | 116.9 | 120.2 | -89 | -69.3 | 0 | 0 | 0 | 108.6 | |||||
| 379 | E | 28.6 | Very low | 30.1 | Very low | 194 Ų | 194 | 151.4 Ų | 151.4 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -145.6 | 130.2 | 145 | -109.3 | -178.8 | -179.6 | 0 | 0 | 107.1 | ||||
| 380 | P | 37 | Very low | 30.4 | Very low | 104 Ų | 104 | 156.5 Ų | 156.5 | 68% | 0.675 | 82% | 0.823 | S | S | * | * | -132.1 | 145.7 | 121.3 | 35.8 | -26.5 | 0 | 0 | 0 | 109.5 | |||||
| 381 | I | 32.4 | Very low | 30.6 | Very low | 155 Ų | 155 | 158.4 Ų | 158.4 | 80% | 0.795 | 83% | 0.833 | S | S | * | * | trans | -162.3 | 115.7 | 151.1 | -96.8 | 138.3 | 0 | 0 | 0 | 108.7 | ||||
| 382 | F | 40.3 | Very low | 30.9 | Very low | 273 Ų | 273 | 159.3 Ų | 159.3 | 100% | 1.197 | 84% | 0.836 | S | S | * | * | trans | 59 | 0 | 146.7 | -70.6 | -90.2 | 0 | 0 | 0 | 122.1 |
Retrieved 382 of 382 residues in 315.7 ms
(Link to these results)