| 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 | 43.7 | Very low | 60.9 | Low | 195 Ų | 195 | 99.8 Ų | 99.8 | 96% | 0.961 | 51% | 0.51 | S | S | * | . | 0 | 112.7 | 0 | -148.3 | 166.9 | 80.9 | 0 | 0 | 107 | M3 L6 | M1-M3 PolarHBondContact O-N 3.34Å; M1-L6 HydrophobicContact CE-CD1 3.7Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CE-CG 3.88Å | |||
| 2 | N | 45.3 | Very low | 63.1 | Low | 119 Ų | 119 | 101.1 Ų | 101.1 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | trans | -65.9 | 132.9 | -170.7 | -85.6 | -9.2 | 0 | 0 | 0 | 111.2 | S4 V5 | N2-S4 PolarHBondContact O-N 3.31Å; N2-S4 VanDerWaalsContact O-N 3.08Å; N2-V5 HydrophobicContact CB-CG2 4.21Å; N2-V5 WeakPolarHBondContact O-CB 3.29Å; N2-V5 PolarHBondContact O-N 3.17Å | ||
| 3 | M | 46.6 | Very low | 65.1 | Low | 158 Ų | 158 | 100.3 Ų | 100.3 | 78% | 0.778 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55.7 | -25.9 | 179.8 | -170.6 | 163.8 | 56.4 | 0 | 0 | 113.2 | M1 T7 | M1-M3 PolarHBondContact O-N 3.34Å; M3-T7 PolarHBondContact O-N 3.35Å; M3-T7 PolarHBondContact O-OG1 3Å |
| 4 | S | 51.4 | Low | 67 | Low | 45 Ų | 45 | 93.1 Ų | 93.1 | 32% | 0.315 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68 | -26.8 | 173.1 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | N2 T7 L8 | N2-S4 PolarHBondContact O-N 3.31Å; N2-S4 VanDerWaalsContact O-N 3.08Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 3.05Å; S4-L8 WeakPolarHBondContact O-CD1 3.17Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.44Å; S4-L8 PolarHBondContact O-N 2.65Å |
| 5 | V | 53.6 | Low | 68.4 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 56% | 0.564 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -78.2 | -36.8 | 179.1 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | N2 L8 Q9 | N2-V5 HydrophobicContact CB-CG2 4.21Å; N2-V5 WeakPolarHBondContact O-CB 3.29Å; N2-V5 PolarHBondContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 2.95Å; V5-Q9 PolarHBondContact O-N 3.49Å |
| 6 | L | 53.8 | Low | 69.8 | Low | 95 Ų | 95 | 96.9 Ų | 96.9 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 174.8 | -88.5 | 153.1 | 0 | 0 | 0 | 112.4 | M1 L8 Q9 | M1-L6 HydrophobicContact CE-CD1 3.7Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CE-CG 3.88Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 2.75Å; L6-Q9 PolarHBondContact O-N 3.24Å |
| 7 | T | 59.1 | Low | 71.2 | Confident | 54 Ų | 54 | 93.3 Ų | 93.3 | 33% | 0.331 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -9 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | M3 S4 R80 A83 | M3-T7 PolarHBondContact O-N 3.35Å; M3-T7 PolarHBondContact O-OG1 3Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 3.05Å; T7-R80 PolarHBondContact O-NH1 3.12Å; T7-A83 WeakPolarHBondContact OG1-CB 3.24Å |
| 8 | L | 66.3 | Low | 72.4 | Confident | 41 Ų | 41 | 92.2 Ų | 92.2 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -3 | 173.6 | -73.2 | 171.2 | 0 | 0 | 0 | 113.4 | S4 V5 L6 E10 Y87 V108 | S4-L8 WeakPolarHBondContact O-CD1 3.17Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.44Å; S4-L8 PolarHBondContact O-N 2.65Å; V5-L8 PolarHBondContact O-N 2.95Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 2.75Å; L8-E10 PolarHBondContact O-N 3.34Å; L8-Y87 HydrophobicContact CD1-CD1 4.34Å; L8-Y87 HydrophobicContact CD1-CD2 3.92Å; L8-Y87 HydrophobicContact CD1-CG 3.8Å; L8-V108 VanDerWaalsContact O-CG2 3.32Å; L8-V108 WeakPolarHBondContact O-CG2 3.35Å |
| 9 | Q | 79.1 | Confident | 73.5 | Confident | 132 Ų | 132 | 89.4 Ų | 89.4 | 62% | 0.617 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -67.6 | 123.6 | 170.7 | -173.6 | 171.8 | -5.5 | 0 | 0 | 109.3 | V5 L6 R80 | V5-Q9 PolarHBondContact O-N 3.49Å; L6-Q9 PolarHBondContact O-N 3.24Å; Q9-R80 PolarHBondContact O-NH1 3.25Å; Q9-R80 VanDerWaalsContact O-NH1 3.14Å; Q9-R80 PolarHBondContact O-NH2 2.9Å |
| 10 | E | 82.6 | Confident | 74.5 | Confident | 60 Ų | 60 | 90.2 Ų | 90.2 | 28% | 0.28 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 139 | -178.8 | -65.2 | 169.7 | -100.5 | 0 | 0 | 111.8 | L8 E14 K15 P107 V108 | L8-E10 PolarHBondContact O-N 3.34Å; E10-E14 WeakPolarHBondContact CA-OE2 2.96Å; E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.64Å; E10-K15 HydrophobicContact CG-CG 4.37Å; E10-K15 WeakPolarHBondContact OE2-CG 3.46Å; E10-P107 HydrophobicContact CG-CB 3.61Å; E10-P107 VanDerWaalsContact OE1-CB 3.32Å; E10-P107 WeakPolarHBondContact OE1-CB 3.21Å; E10-P107 WeakPolarHBondContact OE2-CB 2.82Å; E10-V108 HydrophobicContact CG-CG2 3.97Å |
| 11 | Y | 87.9 | Confident | 75.4 | Confident | 106 Ų | 106 | 92 Ų | 92 | 42% | 0.416 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 155.6 | 163.5 | -60.7 | -53.8 | 0 | 0 | 0 | 110.4 | F13 E14 K15 | Y11-F13 AromaticContact CD2-CE1 3.59Å; Y11-F13 HydrophobicContact CD2-CE1 3.59Å; Y11-F13 AromaticContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CG-CD1 4.45Å; Y11-F13 AromaticContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CZ 4.38Å; Y11-F13 PolarHBondContact O-N 3.04Å; Y11-E14 PolarHBondContact N-OE2 2.93Å; Y11-E14 WeakPolarHBondContact O-CB 3.22Å; Y11-E14 PolarHBondContact O-N 3.43Å; Y11-K15 PolarHBondContact O-N 3.49Å; Y11-K15 VanDerWaalsContact O-N 3.12Å |
| 12 | E | 87.7 | Confident | 77.9 | Confident | 115 Ų | 115 | 83 Ų | 83 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.9 | -37.4 | -178.1 | -68.3 | -57 | 121.8 | 0 | 0 | 113 | E14 K15 Q16 | E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 2.85Å; E12-K15 PolarHBondContact O-N 3.18Å; E12-K15 IonicContact OE1-NZ 3.36Å; E12-K15 PolarHBondContact OE1-NZ 3.38Å; E12-Q16 WeakPolarHBondContact O-CB 3.16Å; E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.3Å; E12-Q16 PolarHBondContact O-N 2.97Å; E12-Q16 VanDerWaalsContact O-N 3.08Å |
| 13 | F | 89.6 | Confident | 80.2 | Confident | 91 Ų | 91 | 77.9 Ų | 77.9 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.2 | -28.1 | 177.4 | 73.6 | -93.8 | 0 | 0 | 0 | 113.3 | Y11 F17 F111 W112 | Y11-F13 AromaticContact CD2-CE1 3.59Å; Y11-F13 HydrophobicContact CD2-CE1 3.59Å; Y11-F13 AromaticContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CG-CD1 4.45Å; Y11-F13 AromaticContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CZ 4.38Å; Y11-F13 PolarHBondContact O-N 3.04Å; F13-F17 PolarHBondContact O-N 3.46Å; F13-F111 HydrophobicContact CD2-CD1 4.24Å; F13-F111 HydrophobicContact CD2-CD2 4.21Å; F13-F111 HydrophobicContact CD2-CE1 4.2Å; F13-F111 HydrophobicContact CD2-CE2 4.17Å; F13-F111 HydrophobicContact CD2-CG 4.24Å; F13-F111 HydrophobicContact CD2-CZ 4.16Å; F13-F111 AromaticContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD2 4.38Å; F13-F111 AromaticContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE2 4.35Å; F13-F111 HydrophobicContact CE2-CG 4.02Å; F13-F111 AromaticContact CE2-CZ 3.95Å; F13-F111 HydrophobicContact CE2-CZ 3.95Å; F13-W112 HydrophobicContact CZ-CZ2 4.32Å |
| 14 | E | 90.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -74.2 | -39.4 | 176.5 | -63.8 | 169 | 154.6 | 0 | 0 | 110 | E10 Y11 E12 F17 R80 K110 F111 W112 | E10-E14 WeakPolarHBondContact CA-OE2 2.96Å; Y11-E14 PolarHBondContact N-OE2 2.93Å; Y11-E14 WeakPolarHBondContact O-CB 3.22Å; Y11-E14 PolarHBondContact O-N 3.43Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 2.85Å; E14-F17 WeakPolarHBondContact O-CB 3.27Å; E14-F17 PolarHBondContact O-N 3.09Å; E14-R80 IonicContact OE1-CZ 3Å; E14-R80 IonicContact OE1-NE 3.23Å; E14-R80 PolarHBondContact OE1-NE 2.86Å; E14-R80 IonicContact OE1-NH2 3.8Å; E14-R80 PolarHBondContact OE1-NH2 2.64Å; E14-R80 IonicContact OE2-CZ 3.79Å; E14-R80 IonicContact OE2-NE 3.77Å; E14-R80 IonicContact OE2-NH2 3.51Å; E14-R80 PolarHBondContact OE2-NH2 3.15Å; E14-K110 WeakPolarHBondContact O-CE 3.5Å; E14-F111 HydrophobicContact CG-CB 4.38Å; E14-W112 PolarHBondContact OE1-NE1 3.08Å |
| 15 | K | 88.1 | Confident | 84.8 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 174.7 | -64.7 | 178 | -172.8 | 167.4 | 0 | 112 | E10 Y11 E12 F17 | E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.64Å; E10-K15 HydrophobicContact CG-CG 4.37Å; E10-K15 WeakPolarHBondContact OE2-CG 3.46Å; Y11-K15 PolarHBondContact O-N 3.49Å; Y11-K15 VanDerWaalsContact O-N 3.12Å; E12-K15 PolarHBondContact O-N 3.18Å; E12-K15 IonicContact OE1-NZ 3.36Å; E12-K15 PolarHBondContact OE1-NZ 3.38Å; K15-F17 PolarHBondContact O-N 3.22Å |
| 16 | Q | 90.7 | Very high | 86.8 | Confident | 153 Ų | 153 | 73 Ų | 73 | 72% | 0.715 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.8 | -178.1 | -69.5 | 175.6 | 2.6 | 0 | 0 | 113.4 | E12 N18 | E12-Q16 WeakPolarHBondContact O-CB 3.16Å; E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.3Å; E12-Q16 PolarHBondContact O-N 2.97Å; E12-Q16 VanDerWaalsContact O-N 3.08Å; Q16-N18 PolarHBondContact O-N 3.32Å |
| 17 | F | 93.6 | Very high | 88.7 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | trans | -69.1 | 124.2 | -179.6 | -177.4 | -102 | 0 | 0 | 0 | 111.1 | F13 E14 K15 E19 A22 K110 F111 Y114 | F13-F17 PolarHBondContact O-N 3.46Å; E14-F17 WeakPolarHBondContact O-CB 3.27Å; E14-F17 PolarHBondContact O-N 3.09Å; K15-F17 PolarHBondContact O-N 3.22Å; F17-E19 HydrophobicContact CD1-CB 4.48Å; F17-E19 HydrophobicContact CE1-CB 4.29Å; F17-E19 PolarHBondContact O-N 3.19Å; F17-A22 HydrophobicContact CE1-CB 4.01Å; F17-A22 HydrophobicContact CE2-CB 4.37Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; F17-K110 HydrophobicContact CD1-CB 4.38Å; F17-K110 HydrophobicContact CD1-CD 4.36Å; F17-K110 HydrophobicContact CD1-CG 3.94Å; F17-K110 WeakPolarHBondContact O-CE 3.17Å; F17-K110 PolarHBondContact O-NZ 3.35Å; F17-F111 HydrophobicContact CB-CB 4.3Å; F17-F111 HydrophobicContact CB-CD2 4.38Å; F17-F111 HydrophobicContact CD1-CB 4.17Å; F17-F111 AromaticContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CE2-CD2 4.17Å; F17-F111 HydrophobicContact CG-CB 4.07Å; F17-F111 HydrophobicContact CG-CD2 4.05Å; F17-Y114 AromaticContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CE1 4.25Å; F17-Y114 HydrophobicContact CE2-CG 4.33Å; F17-Y114 AromaticContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CD1 3.45Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CE1 4.27Å; F17-Y114 AromaticContact CZ-CG 3.66Å; F17-Y114 HydrophobicContact CZ-CG 3.66Å | ||
| 18 | N | 93.4 | Very high | 90.5 | Very high | 74 Ų | 74 | 76.7 Ų | 76.7 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | trans | -90.3 | 97.8 | 177 | -174.6 | -6.9 | 0 | 0 | 0 | 110.5 | Q16 N20 E21 A22 | Q16-N18 PolarHBondContact O-N 3.32Å; N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.06Å; N18-N20 PolarHBondContact OD1-N 3.29Å; N18-N20 VanDerWaalsContact OD1-N 3.17Å; N18-E21 HydrophobicContact CB-CB 4.21Å; N18-E21 PolarHBondContact OD1-N 3.23Å; N18-A22 PolarHBondContact O-N 3.47Å | ||
| 19 | E | 92.4 | Very high | 91.9 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -32.5 | 178.9 | 64.7 | -78 | -177.9 | 0 | 0 | 113.3 | F17 A22 I23 I105 K110 | F17-E19 HydrophobicContact CD1-CB 4.48Å; F17-E19 HydrophobicContact CE1-CB 4.29Å; F17-E19 PolarHBondContact O-N 3.19Å; E19-A22 PolarHBondContact O-N 3.34Å; E19-I23 WeakPolarHBondContact O-CB 3.19Å; E19-I23 WeakPolarHBondContact O-CD1 3.33Å; E19-I23 WeakPolarHBondContact O-CG1 3.41Å; E19-I23 PolarHBondContact O-N 3.31Å; E19-I105 HydrophobicContact CG-CB 4.26Å; E19-I105 HydrophobicContact CG-CG2 4.03Å; E19-K110 HydrophobicContact CB-CB 4.19Å; E19-K110 HydrophobicContact CB-CD 4.26Å; E19-K110 HydrophobicContact CG-CD 4.47Å; E19-K110 WeakPolarHBondContact OE2-CD 3.47Å; E19-K110 IonicContact OE2-NZ 2.76Å; E19-K110 PolarHBondContact OE2-NZ 2.86Å |
| 20 | N | 93.6 | Very high | 92.7 | Very high | 105 Ų | 105 | 71.8 Ų | 71.8 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67 | -43.4 | -178.2 | -65.3 | -51.4 | 0 | 0 | 0 | 111.3 | N18 A22 I23 Q24 | N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.06Å; N18-N20 PolarHBondContact OD1-N 3.29Å; N18-N20 VanDerWaalsContact OD1-N 3.17Å; N20-A22 VanDerWaalsContact C-N 3.33Å; N20-I23 PolarHBondContact O-N 3.1Å; N20-Q24 WeakPolarHBondContact O-CB 3.22Å; N20-Q24 PolarHBondContact O-N 2.93Å |
| 21 | E | 94.9 | Very high | 93.3 | Very high | 128 Ų | 128 | 75.5 Ų | 75.5 | 60% | 0.598 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 174.8 | -174.8 | 179.6 | 175.3 | 0 | 0 | 111.3 | N18 Q24 W25 | N18-E21 HydrophobicContact CB-CB 4.21Å; N18-E21 PolarHBondContact OD1-N 3.23Å; E21-Q24 PolarHBondContact O-N 3.41Å; E21-W25 VanDerWaalsContact O-CB 3.31Å; E21-W25 WeakPolarHBondContact O-CB 3.5Å; E21-W25 PolarHBondContact O-N 2.94Å |
| 22 | A | 94.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 5% | 0.05 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F17 N18 E19 N20 W25 M26 Y114 | F17-A22 HydrophobicContact CE1-CB 4.01Å; F17-A22 HydrophobicContact CE2-CB 4.37Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; N18-A22 PolarHBondContact O-N 3.47Å; E19-A22 PolarHBondContact O-N 3.34Å; N20-A22 VanDerWaalsContact C-N 3.33Å; A22-W25 PolarHBondContact O-N 3.28Å; A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 3.44Å; A22-Y114 HydrophobicContact CB-CD1 4.21Å; A22-Y114 HydrophobicContact CB-CD2 3.71Å; A22-Y114 HydrophobicContact CB-CE1 4.32Å; A22-Y114 HydrophobicContact CB-CE2 3.84Å; A22-Y114 HydrophobicContact CB-CG 3.89Å |
| 23 | I | 94.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 176.3 | -68.8 | 158.6 | 0 | 0 | 0 | 110.2 | E19 N20 W25 M26 Q27 I105 Y156 M159 | E19-I23 WeakPolarHBondContact O-CB 3.19Å; E19-I23 WeakPolarHBondContact O-CD1 3.33Å; E19-I23 WeakPolarHBondContact O-CG1 3.41Å; E19-I23 PolarHBondContact O-N 3.31Å; N20-I23 PolarHBondContact O-N 3.1Å; I23-W25 VanDerWaalsContact C-N 3.34Å; I23-W25 PolarHBondContact O-N 2.91Å; I23-M26 PolarHBondContact O-N 2.88Å; I23-M26 VanDerWaalsContact O-N 3.15Å; I23-Q27 HydrophobicContact CG2-CG 4.47Å; I23-Q27 WeakPolarHBondContact O-CG 3.4Å; I23-Q27 PolarHBondContact O-N 3Å; I23-I105 HydrophobicContact CD1-CG2 4.25Å; I23-Y156 HydrophobicContact CG1-CE1 4.25Å; I23-M159 HydrophobicContact CD1-CE 4.32Å; I23-M159 HydrophobicContact CD1-SD 3.46Å; I23-M159 WeakPolarHBondContact CD1-SD 3.46Å; I23-M159 HydrophobicContact CG1-SD 4.06Å |
| 24 | Q | 96.5 | Very high | 94.4 | Very high | 106 Ų | 106 | 70.4 Ų | 70.4 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 178 | -176.8 | 179.3 | -7.4 | 0 | 0 | 111.1 | N20 E21 M26 Q27 E28 | N20-Q24 WeakPolarHBondContact O-CB 3.22Å; N20-Q24 PolarHBondContact O-N 2.93Å; E21-Q24 PolarHBondContact O-N 3.41Å; Q24-M26 VanDerWaalsContact C-N 3.28Å; Q24-M26 PolarHBondContact O-N 3.43Å; Q24-Q27 WeakPolarHBondContact O-CB 3.31Å; Q24-Q27 PolarHBondContact O-N 2.85Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.45Å; Q24-E28 PolarHBondContact NE2-OE1 3.25Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.09Å |
| 25 | W | 96.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 75.1 Ų | 75.1 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 176.6 | -173.4 | 93.5 | 0 | 0 | 0 | 111.2 | E21 A22 I23 E28 N29 Y114 L118 W153 | E21-W25 VanDerWaalsContact O-CB 3.31Å; E21-W25 WeakPolarHBondContact O-CB 3.5Å; E21-W25 PolarHBondContact O-N 2.94Å; A22-W25 PolarHBondContact O-N 3.28Å; I23-W25 VanDerWaalsContact C-N 3.34Å; I23-W25 PolarHBondContact O-N 2.91Å; W25-E28 PolarHBondContact O-N 3.48Å; W25-N29 HydrophobicContact CD2-CB 4.08Å; W25-N29 HydrophobicContact CE3-CB 4.14Å; W25-N29 HydrophobicContact CH2-CB 4.14Å; W25-N29 HydrophobicContact CZ2-CB 4.06Å; W25-N29 HydrophobicContact CZ3-CB 4.16Å; W25-N29 WeakPolarHBondContact O-CB 3.14Å; W25-N29 PolarHBondContact O-N 2.91Å; W25-N29 PolarHBondContact O-ND2 3.44Å; W25-Y114 HydrophobicContact CE3-CE2 4.32Å; W25-L118 HydrophobicContact CH2-CD2 4.15Å; W25-L118 HydrophobicContact CZ3-CD2 3.81Å; W25-W153 AromaticContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CZ3 4.06Å; W25-W153 HydrophobicContact CZ3-CH2 4.04Å; W25-W153 HydrophobicContact CZ3-CZ3 4.17Å |
| 26 | M | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 177 | -72 | -62.3 | -50.3 | 0 | 0 | 112.4 | A22 I23 Q24 E28 N29 W30 Y114 V117 L118 W153 Y156 | A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 3.44Å; I23-M26 PolarHBondContact O-N 2.88Å; I23-M26 VanDerWaalsContact O-N 3.15Å; Q24-M26 VanDerWaalsContact C-N 3.28Å; Q24-M26 PolarHBondContact O-N 3.43Å; M26-E28 VanDerWaalsContact C-N 3.32Å; M26-E28 PolarHBondContact O-N 3.09Å; M26-N29 PolarHBondContact O-N 3.36Å; M26-W30 WeakPolarHBondContact O-CA 3.05Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.39Å; M26-W30 PolarHBondContact O-N 2.85Å; M26-Y114 HydrophobicContact CG-CD2 4.15Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.03Å; M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.25Å; M26-L118 HydrophobicContact SD-CD2 4.49Å; M26-W153 HydrophobicContact CE-CB 3.94Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.27Å; M26-W153 HydrophobicContact CE-CG 3.88Å; M26-Y156 HydrophobicContact CB-CD1 3.74Å; M26-Y156 HydrophobicContact CB-CE1 4.15Å; M26-Y156 HydrophobicContact CE-CD1 4.49Å; M26-Y156 HydrophobicContact CG-CD1 3.48Å; M26-Y156 VanDerWaalsContact CG-CD1 3.48Å; M26-Y156 HydrophobicContact CG-CE1 3.68Å; M26-Y156 HydrophobicContact CG-CG 4.47Å |
| 27 | Q | 94.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.7 | -72 | 174.4 | -11.8 | 0 | 0 | 112.6 | I23 Q24 W30 K157 | I23-Q27 HydrophobicContact CG2-CG 4.47Å; I23-Q27 WeakPolarHBondContact O-CG 3.4Å; I23-Q27 PolarHBondContact O-N 3Å; Q24-Q27 WeakPolarHBondContact O-CB 3.31Å; Q24-Q27 PolarHBondContact O-N 2.85Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q27-W30 VanDerWaalsContact O-CD1 3.23Å; Q27-K157 HydrophobicContact CG-CB 4.02Å; Q27-K157 WeakPolarHBondContact CG-O 3.19Å; Q27-K157 PolarHBondContact NE2-O 3.42Å; Q27-K157 VanDerWaalsContact NE2-O 3.15Å |
| 28 | E | 96.5 | Very high | 95.6 | Very high | 126 Ų | 126 | 68.3 Ų | 68.3 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -77.5 | -33.2 | 177.7 | -68.8 | 173.6 | -171 | 0 | 0 | 112.5 | Q24 W25 M26 | Q24-E28 WeakPolarHBondContact CG-OE1 3.45Å; Q24-E28 PolarHBondContact NE2-OE1 3.25Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.09Å; W25-E28 PolarHBondContact O-N 3.48Å; M26-E28 VanDerWaalsContact C-N 3.32Å; M26-E28 PolarHBondContact O-N 3.09Å |
| 29 | N | 96.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -113.6 | -3.8 | -164.9 | -64.8 | -83.3 | 0 | 0 | 0 | 115.1 | W25 M26 K31 K32 | W25-N29 HydrophobicContact CD2-CB 4.08Å; W25-N29 HydrophobicContact CE3-CB 4.14Å; W25-N29 HydrophobicContact CH2-CB 4.14Å; W25-N29 HydrophobicContact CZ2-CB 4.06Å; W25-N29 HydrophobicContact CZ3-CB 4.16Å; W25-N29 WeakPolarHBondContact O-CB 3.14Å; W25-N29 PolarHBondContact O-N 2.91Å; W25-N29 PolarHBondContact O-ND2 3.44Å; M26-N29 PolarHBondContact O-N 3.36Å; N29-K31 PolarHBondContact O-N 2.93Å; N29-K32 HydrophobicContact CB-CD 4.07Å; N29-K32 HydrophobicContact CB-CG 4.49Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.23Å; N29-K32 WeakPolarHBondContact O-CG 2.95Å; N29-K32 PolarHBondContact O-N 3.31Å; N29-K32 WeakPolarHBondContact OD1-CE 3.49Å; N29-K32 PolarHBondContact OD1-NZ 3.12Å |
| 30 | W | 94.9 | Very high | 96 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.9 | -176.1 | 70.2 | -87 | 0 | 0 | 0 | 113 | M26 Q27 K32 S33 F34 W153 Y154 K157 | M26-W30 WeakPolarHBondContact O-CA 3.05Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.39Å; M26-W30 PolarHBondContact O-N 2.85Å; Q27-W30 VanDerWaalsContact O-CD1 3.23Å; W30-K32 PolarHBondContact O-N 2.82Å; W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.19Å; W30-S33 PolarHBondContact O-N 2.74Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 2.9Å; W30-F34 HydrophobicContact CE3-CE2 4.37Å; W30-F34 HydrophobicContact CH2-CE2 4.3Å; W30-F34 AromaticContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CZ 4.37Å; W30-W153 HydrophobicContact CB-CB 4.34Å; W30-W153 WeakPolarHBondContact CB-O 3.33Å; W30-Y154 HydrophobicContact CE3-CD2 4.11Å; W30-Y154 HydrophobicContact CH2-CD2 4.11Å; W30-Y154 AromaticContact CZ3-CD2 3.76Å; W30-Y154 HydrophobicContact CZ3-CD2 3.76Å; W30-K157 HydrophobicContact CB-CD 4.42Å; W30-K157 HydrophobicContact CD2-CD 4.01Å; W30-K157 HydrophobicContact CG-CD 3.75Å |
| 31 | K | 96 | Very high | 96.1 | Very high | 139 Ų | 139 | 64.6 Ų | 64.6 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.6 | 178.1 | -62.9 | -178.8 | -176.1 | 173.4 | 0 | 113.5 | N29 S33 F34 | N29-K31 PolarHBondContact O-N 2.93Å; K31-S33 PolarHBondContact O-N 3.44Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 WeakPolarHBondContact O-CD2 3.38Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.1Å |
| 32 | K | 95.5 | Very high | 96.2 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -22.4 | 174.1 | -67.2 | -178.4 | 175 | 166.9 | 0 | 112.1 | N29 W30 F34 L35 F36 W153 | N29-K32 HydrophobicContact CB-CD 4.07Å; N29-K32 HydrophobicContact CB-CG 4.49Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.23Å; N29-K32 WeakPolarHBondContact O-CG 2.95Å; N29-K32 PolarHBondContact O-N 3.31Å; N29-K32 WeakPolarHBondContact OD1-CE 3.49Å; N29-K32 PolarHBondContact OD1-NZ 3.12Å; W30-K32 PolarHBondContact O-N 2.82Å; K32-F34 PolarHBondContact O-N 3.36Å; K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 2.85Å; K32-L35 VanDerWaalsContact O-N 3.09Å; K32-F36 PolarHBondContact O-N 3.3Å; K32-W153 HydrophobicContact CB-CZ3 4Å |
| 33 | S | 96.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.2 | -38.4 | 172.2 | 62 | 0 | 0 | 0 | 0 | 112.5 | W30 K31 L35 F36 S37 | W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.19Å; W30-S33 PolarHBondContact O-N 2.74Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 2.9Å; K31-S33 PolarHBondContact O-N 3.44Å; S33-L35 PolarHBondContact O-N 2.96Å; S33-F36 PolarHBondContact O-N 2.79Å; S33-S37 WeakPolarHBondContact O-CB 3.49Å; S33-S37 PolarHBondContact O-N 3.44Å; S33-S37 PolarHBondContact O-OG 3.49Å; S33-S37 VanDerWaalsContact O-OG 3.06Å |
| 34 | F | 97.1 | Very high | 96.2 | Very high | 112 Ų | 112 | 64.4 Ų | 64.4 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.1 | -69.6 | -77.5 | 0 | 0 | 0 | 112.5 | W30 K31 K32 S37 A38 L150 | W30-F34 HydrophobicContact CE3-CE2 4.37Å; W30-F34 HydrophobicContact CH2-CE2 4.3Å; W30-F34 AromaticContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CZ 4.37Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 WeakPolarHBondContact O-CD2 3.38Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.1Å; K32-F34 PolarHBondContact O-N 3.36Å; F34-S37 PolarHBondContact O-N 3.49Å; F34-A38 WeakPolarHBondContact O-CB 3.28Å; F34-A38 PolarHBondContact O-N 2.89Å; F34-L150 HydrophobicContact CB-CD2 4.43Å; F34-L150 HydrophobicContact CD1-CD1 4.48Å; F34-L150 HydrophobicContact CD1-CD2 3.62Å; F34-L150 HydrophobicContact CD2-CD2 4.39Å; F34-L150 HydrophobicContact CE1-CD1 4.35Å; F34-L150 HydrophobicContact CE1-CD2 3.88Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.37Å |
| 35 | L | 96.8 | Very high | 96.1 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 176.1 | 177 | 61.6 | 0 | 0 | 0 | 110.6 | K32 S33 S37 A38 L39 | K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 2.85Å; K32-L35 VanDerWaalsContact O-N 3.09Å; S33-L35 PolarHBondContact O-N 2.96Å; L35-S37 PolarHBondContact O-N 2.86Å; L35-A38 PolarHBondContact O-N 3.07Å; L35-L39 HydrophobicContact CD1-CD1 4.2Å; L35-L39 HydrophobicContact CD1-CG 4.19Å; L35-L39 HydrophobicContact CG-CD1 4.11Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.82Å |
| 36 | F | 96.9 | Very high | 96 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.2 | -65.8 | -25.7 | 0 | 0 | 0 | 112.4 | K32 S33 L39 Y40 A121 L149 W153 | K32-F36 PolarHBondContact O-N 3.3Å; S33-F36 PolarHBondContact O-N 2.79Å; F36-L39 PolarHBondContact O-N 3.33Å; F36-Y40 WeakPolarHBondContact O-CB 3.26Å; F36-Y40 PolarHBondContact O-N 3.04Å; F36-A121 HydrophobicContact CD2-CB 4.3Å; F36-L149 HydrophobicContact CB-CD2 3.89Å; F36-W153 HydrophobicContact CD2-CH2 4.21Å; F36-W153 HydrophobicContact CD2-CZ2 4.49Å; F36-W153 AromaticContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CZ2 4.21Å; F36-W153 HydrophobicContact CE2-CZ3 4.27Å |
| 37 | S | 96.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.5 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | S33 F34 L35 Y40 A41 | S33-S37 WeakPolarHBondContact O-CB 3.49Å; S33-S37 PolarHBondContact O-N 3.44Å; S33-S37 PolarHBondContact O-OG 3.49Å; S33-S37 VanDerWaalsContact O-OG 3.06Å; F34-S37 PolarHBondContact O-N 3.49Å; L35-S37 PolarHBondContact O-N 2.86Å; S37-Y40 PolarHBondContact O-N 3.25Å; S37-A41 WeakPolarHBondContact O-CB 3.28Å; S37-A41 PolarHBondContact O-N 3.14Å |
| 38 | A | 96.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F34 L35 Y40 A41 A42 | F34-A38 WeakPolarHBondContact O-CB 3.28Å; F34-A38 PolarHBondContact O-N 2.89Å; L35-A38 PolarHBondContact O-N 3.07Å; A38-Y40 VanDerWaalsContact C-N 3.3Å; A38-Y40 PolarHBondContact O-N 3.22Å; A38-A41 PolarHBondContact O-N 3.21Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.46Å |
| 39 | L | 96.7 | Very high | 95.6 | Very high | 104 Ų | 104 | 63.6 Ų | 63.6 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175 | -71.1 | 174.3 | 0 | 0 | 0 | 111.5 | L35 F36 A42 F43 | L35-L39 HydrophobicContact CD1-CD1 4.2Å; L35-L39 HydrophobicContact CD1-CG 4.19Å; L35-L39 HydrophobicContact CG-CD1 4.11Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.82Å; F36-L39 PolarHBondContact O-N 3.33Å; L39-A42 PolarHBondContact O-N 3.02Å; L39-F43 WeakPolarHBondContact O-CB 3Å; L39-F43 PolarHBondContact O-N 2.78Å |
| 40 | Y | 96.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 66.9 Ų | 66.9 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.2 | 173.1 | -104.4 | 0 | 0 | 0 | 112.7 | F36 S37 A38 F43 I44 L124 T127 W142 H145 I146 | F36-Y40 WeakPolarHBondContact O-CB 3.26Å; F36-Y40 PolarHBondContact O-N 3.04Å; S37-Y40 PolarHBondContact O-N 3.25Å; A38-Y40 VanDerWaalsContact C-N 3.3Å; A38-Y40 PolarHBondContact O-N 3.22Å; Y40-F43 WeakPolarHBondContact O-CB 3.15Å; Y40-F43 PolarHBondContact O-N 3.12Å; Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CE1-CD1 3.35Å; Y40-I44 HydrophobicContact CE1-CG1 4.45Å; Y40-I44 HydrophobicContact CE2-CD1 4.16Å; Y40-I44 HydrophobicContact CG-CD1 4.4Å; Y40-I44 WeakPolarHBondContact O-CG1 3.39Å; Y40-I44 PolarHBondContact O-N 3.15Å; Y40-L124 HydrophobicContact CD1-CD2 4.37Å; Y40-L124 HydrophobicContact CD2-CB 3.76Å; Y40-L124 HydrophobicContact CD2-CD1 4.11Å; Y40-L124 HydrophobicContact CD2-CD2 3.93Å; Y40-L124 HydrophobicContact CD2-CG 4.15Å; Y40-L124 HydrophobicContact CE1-CD2 4.37Å; Y40-L124 HydrophobicContact CE2-CB 3.88Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CE2-CG 4.4Å; Y40-L124 HydrophobicContact CG-CD1 4.21Å; Y40-L124 HydrophobicContact CG-CD2 4.13Å; Y40-T127 HydrophobicContact CE2-CG2 3.95Å; Y40-T127 PolarHBondContact OH-OG1 2.86Å; Y40-W142 HydrophobicContact CE1-CB 4.16Å; Y40-H145 HydrophobicContact CE1-CB 4.31Å; Y40-I146 HydrophobicContact CD1-CD1 3.91Å; Y40-I146 HydrophobicContact CD1-CG1 3.54Å; Y40-I146 HydrophobicContact CE1-CD1 4.12Å; Y40-I146 HydrophobicContact CE1-CG1 3.69Å |
| 41 | A | 95.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 65 Ų | 65 | 21% | 0.207 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S37 A38 F43 I44 F45 I146 | S37-A41 WeakPolarHBondContact O-CB 3.28Å; S37-A41 PolarHBondContact O-N 3.14Å; A38-A41 PolarHBondContact O-N 3.21Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 2.9Å; A41-I44 WeakPolarHBondContact O-CB 3.46Å; A41-I44 PolarHBondContact O-N 3.12Å; A41-I44 VanDerWaalsContact O-N 3.09Å; A41-F45 HydrophobicContact CB-CE2 4.5Å; A41-F45 WeakPolarHBondContact O-CD2 3.15Å; A41-F45 PolarHBondContact O-N 3.17Å; A41-F45 VanDerWaalsContact O-N 3.12Å; A41-I146 HydrophobicContact CB-CD1 4.49Å |
| 42 | A | 96.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 64 Ų | 64 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A38 L39 I44 F45 G46 | A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.46Å; L39-A42 PolarHBondContact O-N 3.02Å; A42-I44 PolarHBondContact O-N 2.74Å; A42-F45 PolarHBondContact O-N 3.04Å; A42-G46 PolarHBondContact O-N 2.66Å |
| 43 | F | 95.8 | Very high | 95 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 33% | 0.333 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 175 | 177.2 | -93.9 | 0 | 0 | 0 | 112.5 | L39 Y40 A41 G47 I128 I131 | L39-F43 WeakPolarHBondContact O-CB 3Å; L39-F43 PolarHBondContact O-N 2.78Å; Y40-F43 WeakPolarHBondContact O-CB 3.15Å; Y40-F43 PolarHBondContact O-N 3.12Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 2.9Å; F43-G47 VanDerWaalsContact O-CA 3.22Å; F43-G47 WeakPolarHBondContact O-CA 3.47Å; F43-G47 PolarHBondContact O-N 3.3Å; F43-I128 HydrophobicContact CD1-CG1 4.36Å; F43-I128 HydrophobicContact CE1-CB 4.15Å; F43-I128 HydrophobicContact CE1-CG1 3.63Å; F43-I128 HydrophobicContact CE1-CG2 4.44Å; F43-I128 HydrophobicContact CZ-CB 4.18Å; F43-I128 HydrophobicContact CZ-CG1 3.85Å; F43-I128 HydrophobicContact CZ-CG2 3.96Å; F43-I131 HydrophobicContact CD1-CD1 4.21Å; F43-I131 HydrophobicContact CE1-CD1 3.88Å |
| 44 | I | 95.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.015 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -52 | 176.4 | -73.3 | 164.3 | 0 | 0 | 0 | 111.2 | Y40 A41 A42 R48 T127 I131 L137 W142 | Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CE1-CD1 3.35Å; Y40-I44 HydrophobicContact CE1-CG1 4.45Å; Y40-I44 HydrophobicContact CE2-CD1 4.16Å; Y40-I44 HydrophobicContact CG-CD1 4.4Å; Y40-I44 WeakPolarHBondContact O-CG1 3.39Å; Y40-I44 PolarHBondContact O-N 3.15Å; A41-I44 WeakPolarHBondContact O-CB 3.46Å; A41-I44 PolarHBondContact O-N 3.12Å; A41-I44 VanDerWaalsContact O-N 3.09Å; A42-I44 PolarHBondContact O-N 2.74Å; I44-R48 VanDerWaalsContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CB 3.27Å; I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.22Å; I44-R48 VanDerWaalsContact O-N 3.09Å; I44-T127 HydrophobicContact CD1-CG2 4.17Å; I44-T127 HydrophobicContact CG1-CG2 3.7Å; I44-I131 HydrophobicContact CB-CD1 4.35Å; I44-I131 HydrophobicContact CG1-CD1 4.16Å; I44-L137 HydrophobicContact CB-CD2 4.49Å; I44-L137 HydrophobicContact CD1-CD2 4.31Å; I44-L137 HydrophobicContact CG1-CD2 4.04Å; I44-L137 HydrophobicContact CG2-CD2 3.68Å; I44-W142 HydrophobicContact CD1-CB 3.54Å; I44-W142 HydrophobicContact CD1-CG 4.2Å |
| 45 | F | 93.6 | Very high | 94.5 | Very high | 135 Ų | 135 | 73 Ų | 73 | 59% | 0.592 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.9 | -47.1 | -176.1 | -65 | -69.4 | 0 | 0 | 0 | 111.4 | A41 A42 H49 | A41-F45 HydrophobicContact CB-CE2 4.5Å; A41-F45 WeakPolarHBondContact O-CD2 3.15Å; A41-F45 PolarHBondContact O-N 3.17Å; A41-F45 VanDerWaalsContact O-N 3.12Å; A42-F45 PolarHBondContact O-N 3.04Å; F45-H49 PolarHBondContact O-N 3.06Å; F45-H49 VanDerWaalsContact O-N 3.09Å |
| 46 | G | 94.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 74.3 Ų | 74.3 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A42 R48 H49 L50 | A42-G46 PolarHBondContact O-N 2.66Å; G46-R48 PolarHBondContact O-N 2.81Å; G46-H49 PolarHBondContact O-N 2.97Å; G46-L50 WeakPolarHBondContact O-CB 3.49Å; G46-L50 PolarHBondContact O-N 3.32Å |
| 47 | G | 93.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 75 Ų | 75 | 11% | 0.113 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F43 M51 | F43-G47 VanDerWaalsContact O-CA 3.22Å; F43-G47 WeakPolarHBondContact O-CA 3.47Å; F43-G47 PolarHBondContact O-N 3.3Å; G47-M51 VanDerWaalsContact O-CB 3.27Å; G47-M51 WeakPolarHBondContact O-CB 3.47Å; G47-M51 VanDerWaalsContact O-CG 3.24Å; G47-M51 WeakPolarHBondContact O-CG 3.49Å; G47-M51 PolarHBondContact O-N 2.9Å |
| 48 | R | 92.9 | Very high | 93.9 | Very high | 93 Ų | 93 | 81 Ų | 81 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 172.2 | -78 | 177.4 | 176.8 | -166.6 | 4.5 | 111.8 | I44 G46 L50 M51 N52 I131 L137 | I44-R48 VanDerWaalsContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CB 3.27Å; I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.22Å; I44-R48 VanDerWaalsContact O-N 3.09Å; G46-R48 PolarHBondContact O-N 2.81Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 2.85Å; R48-M51 PolarHBondContact O-N 2.91Å; R48-N52 PolarHBondContact O-N 3.09Å; R48-N52 PolarHBondContact O-ND2 3.49Å; R48-N52 PolarHBondContact O-OD1 2.81Å; R48-I131 HydrophobicContact CG-CD1 4.47Å; R48-I131 HydrophobicContact CG-CG1 4.36Å; R48-L137 VanDerWaalsContact NH2-CD2 3.33Å; R48-L137 PolarHBondContact NH2-O 3.49Å |
| 49 | H | 93.5 | Very high | 93.7 | Very high | 122 Ų | 122 | 80 Ų | 80 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60 | -44.2 | 179.7 | -174.8 | 85 | 0 | 0 | 0 | 111.9 | F45 G46 N52 | F45-H49 PolarHBondContact O-N 3.06Å; F45-H49 VanDerWaalsContact O-N 3.09Å; G46-H49 PolarHBondContact O-N 2.97Å; H49-N52 WeakPolarHBondContact O-CB 3.45Å; H49-N52 PolarHBondContact O-N 3.46Å |
| 50 | L | 94.2 | Very high | 93.5 | Very high | 90 Ų | 90 | 81.2 Ų | 81.2 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 177.9 | -176.9 | 64.4 | 0 | 0 | 0 | 112.1 | G46 R48 N52 K53 | G46-L50 WeakPolarHBondContact O-CB 3.49Å; G46-L50 PolarHBondContact O-N 3.32Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 2.85Å; L50-N52 VanDerWaalsContact C-N 3.25Å; L50-N52 PolarHBondContact O-N 3.1Å; L50-K53 PolarHBondContact O-N 3.26Å |
| 51 | M | 93.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 89.4 Ų | 89.4 | 4% | 0.044 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.9 | -23.7 | -179 | -75.3 | -60 | -60.2 | 0 | 0 | 112.9 | G47 R48 K53 R54 A55 F57 I131 L132 K134 | G47-M51 VanDerWaalsContact O-CB 3.27Å; G47-M51 WeakPolarHBondContact O-CB 3.47Å; G47-M51 VanDerWaalsContact O-CG 3.24Å; G47-M51 WeakPolarHBondContact O-CG 3.49Å; G47-M51 PolarHBondContact O-N 2.9Å; R48-M51 PolarHBondContact O-N 2.91Å; M51-K53 PolarHBondContact O-N 3.38Å; M51-K53 VanDerWaalsContact O-N 3.17Å; M51-R54 PolarHBondContact O-N 3.4Å; M51-R54 VanDerWaalsContact O-O 3.11Å; M51-R54 HydrophobicContact SD-CB 4.33Å; M51-A55 WeakPolarHBondContact CE-O 3.39Å; M51-F57 HydrophobicContact CE-CD2 3.76Å; M51-F57 HydrophobicContact CE-CE2 3.91Å; M51-F57 HydrophobicContact SD-CD2 4.02Å; M51-F57 HydrophobicContact SD-CE2 3.64Å; M51-I131 HydrophobicContact CG-CG2 3.96Å; M51-L132 WeakPolarHBondContact CE-O 3.48Å; M51-L132 HydrophobicContact CG-CD2 4.39Å; M51-L132 HydrophobicContact SD-CD2 3.92Å; M51-K134 HydrophobicContact CE-CG 4.04Å; M51-K134 WeakPolarHBondContact O-CE 3.39Å; M51-K134 PolarHBondContact O-NZ 2.81Å |
| 52 | N | 90 | Very high | 93.4 | Very high | 119 Ų | 119 | 91.2 Ų | 91.2 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -55.3 | -35.4 | 175.3 | -72.4 | -16.7 | 0 | 0 | 0 | 112.1 | R48 H49 L50 | R48-N52 PolarHBondContact O-N 3.09Å; R48-N52 PolarHBondContact O-ND2 3.49Å; R48-N52 PolarHBondContact O-OD1 2.81Å; H49-N52 WeakPolarHBondContact O-CB 3.45Å; H49-N52 PolarHBondContact O-N 3.46Å; L50-N52 VanDerWaalsContact C-N 3.25Å; L50-N52 PolarHBondContact O-N 3.1Å |
| 53 | K | 92 | Very high | 93.3 | Very high | 177 Ų | 177 | 89.2 Ų | 89.2 | 77% | 0.77 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4.4 | -179.9 | -59.2 | -176.9 | -177.7 | 179.7 | 0 | 114.5 | L50 M51 | L50-K53 PolarHBondContact O-N 3.26Å; M51-K53 PolarHBondContact O-N 3.38Å; M51-K53 VanDerWaalsContact O-N 3.17Å |
| 54 | R | 91.4 | Very high | 93.4 | Very high | 133 Ų | 133 | 87.2 Ų | 87.2 | 50% | 0.502 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -114.2 | 160 | -174.8 | -64.9 | -173.5 | 178.1 | -152.9 | -0.9 | 112.1 | M51 K134 | M51-R54 PolarHBondContact O-N 3.4Å; M51-R54 VanDerWaalsContact O-O 3.11Å; M51-R54 HydrophobicContact SD-CB 4.33Å; R54-K134 WeakPolarHBondContact O-CE 3.39Å; R54-K134 PolarHBondContact O-NZ 3.18Å |
| 55 | A | 91.8 | Very high | 93.5 | Very high | 82 Ų | 82 | 92.6 Ų | 92.6 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 159.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M51 | M51-A55 WeakPolarHBondContact CE-O 3.39Š|
| 56 | K | 93.6 | Very high | 93.7 | Very high | 127 Ų | 127 | 89.6 Ų | 89.6 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 144.7 | 172.6 | 63.9 | 175.9 | -176.3 | 164.8 | 0 | 110 | E58 K134 | K56-E58 VanDerWaalsContact CE-OE1 3.3Å; K56-E58 WeakPolarHBondContact CE-OE1 3.3Å; K56-E58 IonicContact NZ-OE1 3.54Å; K56-E58 PolarHBondContact NZ-OE1 2.94Å; K56-K134 HydrophobicContact CB-CB 4.35Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.17Å |
| 57 | F | 92.4 | Very high | 93.8 | Very high | 86 Ų | 86 | 87.7 Ų | 87.7 | 38% | 0.377 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 141 | 173.3 | -68.8 | -83.3 | 0 | 0 | 0 | 111.7 | M51 L59 L132 | M51-F57 HydrophobicContact CE-CD2 3.76Å; M51-F57 HydrophobicContact CE-CE2 3.91Å; M51-F57 HydrophobicContact SD-CD2 4.02Å; M51-F57 HydrophobicContact SD-CE2 3.64Å; F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.27Å; F57-L59 HydrophobicContact CB-CG 3.76Å; F57-L59 PolarHBondContact O-N 3.2Å; F57-L132 HydrophobicContact CD2-CB 4.11Å; F57-L132 HydrophobicContact CD2-CD2 4.1Å; F57-L132 HydrophobicContact CE2-CD2 4.17Å; F57-L132 PolarHBondContact N-O 3.43Å |
| 58 | E | 91.8 | Very high | 94 | Very high | 135 Ų | 135 | 91.4 Ų | 91.4 | 63% | 0.631 | 44% | 0.435 | S | S | * | . | trans | -88.1 | 75.7 | 174 | -68.9 | -60.3 | 147.4 | 0 | 0 | 110.7 | K56 R60 | K56-E58 VanDerWaalsContact CE-OE1 3.3Å; K56-E58 WeakPolarHBondContact CE-OE1 3.3Å; K56-E58 IonicContact NZ-OE1 3.54Å; K56-E58 PolarHBondContact NZ-OE1 2.94Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.45Å | ||
| 59 | L | 92.5 | Very high | 94.2 | Very high | 37 Ų | 37 | 90.9 Ų | 90.9 | 19% | 0.194 | 44% | 0.442 | C | S | . | . | trans | -93.1 | 32.2 | -176.4 | -61.4 | 173 | 0 | 0 | 0 | 113.4 | F57 P62 L63 F129 L132 R133 | F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.27Å; F57-L59 HydrophobicContact CB-CG 3.76Å; F57-L59 PolarHBondContact O-N 3.2Å; L59-P62 WeakPolarHBondContact O-CD 3.46Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 PolarHBondContact O-N 2.88Å; L59-F129 HydrophobicContact CB-CD1 4.08Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.48Å; L59-L132 HydrophobicContact CD1-CB 3.58Å; L59-L132 HydrophobicContact CD1-CD1 3.66Å; L59-L132 HydrophobicContact CD1-CG 4.29Å; L59-R133 HydrophobicContact CB-CG 4.32Å; L59-R133 HydrophobicContact CD1-CG 4.5Å | ||
| 60 | R | 91.8 | Very high | 94.5 | Very high | 129 Ų | 129 | 85.7 Ų | 85.7 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -50.1 | -172.5 | -171.9 | 172.6 | 172 | -173.1 | -12.1 | 112.9 | E58 L63 V64 A185 A186 | E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.45Å; R60-L63 PolarHBondContact O-N 3.24Å; R60-V64 WeakPolarHBondContact O-CG2 3.49Å; R60-V64 PolarHBondContact O-N 3.38Å; R60-A185 WeakPolarHBondContact CD-O 3.11Å; R60-A185 WeakPolarHBondContact CG-O 3.5Å; R60-A185 PolarHBondContact NE-O 2.71Å; R60-A186 VanDerWaalsContact NH2-C 3.3Å; R60-A186 PolarHBondContact NH2-O 3.11Å |
| 61 | K | 94.1 | Very high | 94.6 | Very high | 183 Ų | 183 | 81.5 Ų | 81.5 | 80% | 0.796 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.4 | -48.1 | 179.9 | -60.2 | 179.7 | -179.7 | -179.7 | 0 | 112.1 | L63 V64 L65 | K61-L63 VanDerWaalsContact C-N 3.31Å; K61-L63 PolarHBondContact O-N 3.36Å; K61-V64 PolarHBondContact O-N 3.27Å; K61-L65 PolarHBondContact O-N 2.87Å; K61-L65 VanDerWaalsContact O-N 3.08Å |
| 62 | P | 96.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 84.2 Ų | 84.2 | 41% | 0.409 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 174.3 | -26.6 | 36.2 | 0 | 0 | 0 | 113.1 | L59 V64 L65 W66 F129 | L59-P62 WeakPolarHBondContact O-CD 3.46Å; P62-V64 PolarHBondContact O-N 3.06Å; P62-L65 PolarHBondContact O-N 3.33Å; P62-W66 WeakPolarHBondContact O-CB 3.42Å; P62-W66 PolarHBondContact O-N 3.25Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.33Å |
| 63 | L | 95.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 81 Ų | 81 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 177.2 | 179.3 | 62.9 | 0 | 0 | 0 | 112.3 | L59 R60 K61 W66 S67 F129 R133 A185 | L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 PolarHBondContact O-N 2.88Å; R60-L63 PolarHBondContact O-N 3.24Å; K61-L63 VanDerWaalsContact C-N 3.31Å; K61-L63 PolarHBondContact O-N 3.36Å; L63-W66 PolarHBondContact O-N 3.05Å; L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.49Å; L63-S67 PolarHBondContact O-OG 2.92Å; L63-S67 VanDerWaalsContact O-OG 3.14Å; L63-F129 HydrophobicContact CB-CD1 4.12Å; L63-F129 HydrophobicContact CB-CE1 4.27Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.19Å; L63-F129 HydrophobicContact CD1-CD2 4.05Å; L63-F129 HydrophobicContact CD1-CG 3.81Å; L63-R133 VanDerWaalsContact CD2-NH1 3.28Å; L63-A185 HydrophobicContact CD2-CB 4.01Å; L63-A185 HydrophobicContact CG-CB 3.93Å |
| 64 | V | 96.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 21% | 0.212 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -51.3 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | R60 K61 P62 W66 S67 L68 A185 A186 | R60-V64 WeakPolarHBondContact O-CG2 3.49Å; R60-V64 PolarHBondContact O-N 3.38Å; K61-V64 PolarHBondContact O-N 3.27Å; P62-V64 PolarHBondContact O-N 3.06Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 3.21Å; V64-S67 PolarHBondContact O-N 3.03Å; V64-L68 WeakPolarHBondContact O-CB 3.34Å; V64-L68 PolarHBondContact O-N 3.4Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.49Å; V64-A185 VanDerWaalsContact CG2-CB 3.49Å; V64-A185 WeakPolarHBondContact CG2-O 3.4Å; V64-A186 HydrophobicContact CG1-CB 4.4Å; V64-A186 HydrophobicContact CG2-CB 4.14Å; V64-A186 VanDerWaalsContact CG2-N 3.31Å |
| 65 | L | 97.3 | Very high | 95.8 | Very high | 115 Ų | 115 | 69.4 Ų | 69.4 | 60% | 0.602 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | -179.1 | -179.5 | 61.3 | 0 | 0 | 0 | 111.4 | K61 P62 L68 T69 | K61-L65 PolarHBondContact O-N 2.87Å; K61-L65 VanDerWaalsContact O-N 3.08Å; P62-L65 PolarHBondContact O-N 3.33Å; L65-L68 PolarHBondContact O-N 3.03Å; L65-T69 WeakPolarHBondContact O-CB 3.37Å; L65-T69 PolarHBondContact O-N 3.48Å; L65-T69 PolarHBondContact O-OG1 2.6Å |
| 66 | W | 97.8 | Very high | 96.1 | Very high | 72 Ų | 72 | 70 Ų | 70 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -55.6 | 176.6 | 178.8 | -97.5 | 0 | 0 | 0 | 112 | P62 L63 V64 L68 T69 L70 P122 D126 F129 | P62-W66 WeakPolarHBondContact O-CB 3.42Å; P62-W66 PolarHBondContact O-N 3.25Å; L63-W66 PolarHBondContact O-N 3.05Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 3.21Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.82Å; W66-T69 PolarHBondContact O-N 3.48Å; W66-L70 HydrophobicContact CZ2-CD1 4.07Å; W66-L70 PolarHBondContact O-N 2.96Å; W66-P122 HydrophobicContact CH2-CB 4.21Å; W66-P122 VanDerWaalsContact CH2-O 3.26Å; W66-P122 WeakPolarHBondContact CH2-O 3.23Å; W66-P122 WeakPolarHBondContact CZ2-O 3.49Å; W66-D126 PolarHBondContact NE1-OD1 2.89Å; W66-F129 HydrophobicContact CB-CE2 3.85Å; W66-F129 HydrophobicContact CB-CZ 4Å; W66-F129 AromaticContact CD1-CE2 3.66Å; W66-F129 AromaticContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CE3-CE2 4.45Å; W66-F129 HydrophobicContact CG-CD2 4.3Å; W66-F129 AromaticContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CE2 3.48Å; W66-F129 VanDerWaalsContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CZ 4.11Å |
| 67 | S | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 178.8 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | L63 V64 A71 | L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.49Å; L63-S67 PolarHBondContact O-OG 2.92Å; L63-S67 VanDerWaalsContact O-OG 3.14Å; V64-S67 PolarHBondContact O-N 3.03Å; S67-A71 VanDerWaalsContact O-CB 3.27Å; S67-A71 WeakPolarHBondContact O-CB 3.39Å; S67-A71 PolarHBondContact O-N 2.82Å |
| 68 | L | 97.6 | Very high | 96.4 | Very high | 89 Ų | 89 | 61 Ų | 61 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 176 | -178 | 62.6 | 0 | 0 | 0 | 111.4 | V64 L65 W66 A71 V72 A182 | V64-L68 WeakPolarHBondContact O-CB 3.34Å; V64-L68 PolarHBondContact O-N 3.4Å; L65-L68 PolarHBondContact O-N 3.03Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.82Å; L68-A71 WeakPolarHBondContact O-CB 3.2Å; L68-A71 PolarHBondContact O-N 3.33Å; L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.46Å; L68-V72 WeakPolarHBondContact O-CG2 3.37Å; L68-V72 PolarHBondContact O-N 2.86Å; L68-A182 HydrophobicContact CB-CB 4.27Å |
| 69 | T | 98 | Very high | 96.6 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 177 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | L65 W66 A71 V72 F73 | L65-T69 WeakPolarHBondContact O-CB 3.37Å; L65-T69 PolarHBondContact O-N 3.48Å; L65-T69 PolarHBondContact O-OG1 2.6Å; W66-T69 PolarHBondContact O-N 3.48Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 2.92Å; T69-V72 PolarHBondContact O-N 3.39Å; T69-F73 VanDerWaalsContact O-CB 3.3Å; T69-F73 WeakPolarHBondContact O-CB 3.33Å; T69-F73 PolarHBondContact O-N 3.28Å |
| 70 | L | 97.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 176.6 | -67.6 | 178.4 | 0 | 0 | 0 | 112.7 | W66 S74 E123 Y178 | W66-L70 HydrophobicContact CZ2-CD1 4.07Å; W66-L70 PolarHBondContact O-N 2.96Å; L70-S74 VanDerWaalsContact O-CB 3.26Å; L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 2.85Å; L70-S74 PolarHBondContact O-OG 3.15Å; L70-E123 HydrophobicContact CD2-CG 4.49Å; L70-Y178 HydrophobicContact CB-CD1 3.86Å; L70-Y178 HydrophobicContact CB-CD2 3.73Å; L70-Y178 HydrophobicContact CB-CE1 4.1Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.69Å; L70-Y178 HydrophobicContact CD1-CD1 4.02Å; L70-Y178 HydrophobicContact CD1-CE1 3.45Å; L70-Y178 VanDerWaalsContact CD1-CE1 3.45Å; L70-Y178 HydrophobicContact CD1-CE2 4.1Å; L70-Y178 HydrophobicContact CG-CE1 4.42Å |
| 71 | A | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -51.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S67 L68 T69 F73 S74 I75 | S67-A71 VanDerWaalsContact O-CB 3.27Å; S67-A71 WeakPolarHBondContact O-CB 3.39Å; S67-A71 PolarHBondContact O-N 2.82Å; L68-A71 WeakPolarHBondContact O-CB 3.2Å; L68-A71 PolarHBondContact O-N 3.33Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 2.92Å; A71-F73 PolarHBondContact O-N 3.44Å; A71-S74 PolarHBondContact O-N 3.44Å; A71-I75 WeakPolarHBondContact O-CB 3.45Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.38Å; A71-I75 PolarHBondContact O-N 2.86Å |
| 72 | V | 98.2 | Very high | 96.9 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 40% | 0.4 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59 | -49.6 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L68 T69 S74 I75 F76 | L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.46Å; L68-V72 WeakPolarHBondContact O-CG2 3.37Å; L68-V72 PolarHBondContact O-N 2.86Å; T69-V72 PolarHBondContact O-N 3.39Å; V72-S74 VanDerWaalsContact C-N 3.31Å; V72-S74 PolarHBondContact O-N 3.15Å; V72-I75 PolarHBondContact O-N 3Å; V72-F76 HydrophobicContact CG1-CD2 3.73Å; V72-F76 HydrophobicContact CG1-CE2 3.7Å; V72-F76 VanDerWaalsContact O-CD2 3.29Å; V72-F76 WeakPolarHBondContact O-CD2 3.24Å; V72-F76 PolarHBondContact O-N 3.32Å |
| 73 | F | 98.1 | Very high | 96.7 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.8 | -48 | 175.5 | 172.3 | -106.8 | 0 | 0 | 0 | 111.9 | T69 A71 F76 G77 W112 A115 S119 Y171 | T69-F73 VanDerWaalsContact O-CB 3.3Å; T69-F73 WeakPolarHBondContact O-CB 3.33Å; T69-F73 PolarHBondContact O-N 3.28Å; A71-F73 PolarHBondContact O-N 3.44Å; F73-F76 PolarHBondContact O-N 3.42Å; F73-G77 PolarHBondContact O-N 3.47Å; F73-W112 HydrophobicContact CD2-CZ3 4.14Å; F73-W112 HydrophobicContact CE2-CE3 4.44Å; F73-W112 HydrophobicContact CE2-CZ3 4.07Å; F73-A115 HydrophobicContact CE2-CB 3.92Å; F73-A115 HydrophobicContact CZ-CB 4.01Å; F73-S119 VanDerWaalsContact CE1-CB 3.44Å; F73-Y171 HydrophobicContact CD1-CE1 4.18Å; F73-Y171 AromaticContact CE1-CE1 3.57Å; F73-Y171 HydrophobicContact CE1-CE1 3.57Å; F73-Y171 AromaticContact CZ-CE1 3.8Å; F73-Y171 HydrophobicContact CZ-CE1 3.8Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.33Å |
| 74 | S | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70 | -34.2 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 113.2 | L70 A71 V72 A78 | L70-S74 VanDerWaalsContact O-CB 3.26Å; L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 2.85Å; L70-S74 PolarHBondContact O-OG 3.15Å; A71-S74 PolarHBondContact O-N 3.44Å; V72-S74 VanDerWaalsContact C-N 3.31Å; V72-S74 PolarHBondContact O-N 3.15Å; S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.36Å |
| 75 | I | 98.1 | Very high | 96.5 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 34% | 0.338 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.9 | -50.7 | 175.8 | -71.5 | 162.1 | 0 | 0 | 0 | 109.9 | A71 V72 A78 L79 A175 | A71-I75 WeakPolarHBondContact O-CB 3.45Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.38Å; A71-I75 PolarHBondContact O-N 2.86Å; V72-I75 PolarHBondContact O-N 3Å; I75-A78 PolarHBondContact O-N 3.08Å; I75-L79 HydrophobicContact CG2-CD1 3.94Å; I75-L79 HydrophobicContact CG2-CG 4.47Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 3.48Å; I75-A175 HydrophobicContact CB-CB 4.48Å; I75-A175 HydrophobicContact CG1-CB 3.7Å |
| 76 | F | 96.4 | Very high | 96.4 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 42% | 0.421 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 178.3 | -79.3 | -75.9 | 0 | 0 | 0 | 111.3 | V72 F73 A78 L79 R80 W112 | V72-F76 HydrophobicContact CG1-CD2 3.73Å; V72-F76 HydrophobicContact CG1-CE2 3.7Å; V72-F76 VanDerWaalsContact O-CD2 3.29Å; V72-F76 WeakPolarHBondContact O-CD2 3.24Å; V72-F76 PolarHBondContact O-N 3.32Å; F73-F76 PolarHBondContact O-N 3.42Å; F76-A78 PolarHBondContact O-N 3.07Å; F76-L79 PolarHBondContact O-N 3.35Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 WeakPolarHBondContact O-CG 3.32Å; F76-R80 PolarHBondContact O-N 3.43Å; F76-W112 HydrophobicContact CB-CH2 3.36Å; F76-W112 HydrophobicContact CB-CZ2 3.93Å; F76-W112 HydrophobicContact CB-CZ3 4.04Å; F76-W112 HydrophobicContact CG-CH2 4.45Å |
| 77 | G | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -49.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F73 L79 R80 T81 | F73-G77 PolarHBondContact O-N 3.47Å; G77-L79 PolarHBondContact O-N 2.88Å; G77-R80 PolarHBondContact O-N 3.34Å; G77-T81 WeakPolarHBondContact O-CB 3.49Å; G77-T81 WeakPolarHBondContact O-CG2 3.23Å; G77-T81 PolarHBondContact O-N 3.14Å; G77-T81 PolarHBondContact O-OG1 3.38Å |
| 78 | A | 97.2 | Very high | 95.8 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | S74 I75 F76 G82 | S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.36Å; I75-A78 PolarHBondContact O-N 3.08Å; F76-A78 PolarHBondContact O-N 3.07Å; A78-G82 WeakPolarHBondContact O-CA 3.49Å; A78-G82 PolarHBondContact O-N 3.1Å |
| 79 | L | 95.4 | Very high | 95.7 | Very high | 110 Ų | 110 | 39.2 Ų | 39.2 | 58% | 0.576 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -66.6 | -45.5 | 178.9 | -71.2 | 172.9 | 0 | 0 | 0 | 111.4 | I75 F76 G77 A83 | I75-L79 HydrophobicContact CG2-CD1 3.94Å; I75-L79 HydrophobicContact CG2-CG 4.47Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 3.48Å; F76-L79 PolarHBondContact O-N 3.35Å; G77-L79 PolarHBondContact O-N 2.88Å; L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 3.44Å |
| 80 | R | 93.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 4% | 0.038 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.3 | -50.4 | -176 | -62.8 | -63.7 | -72.4 | 175.3 | -4.3 | 111.5 | T7 Q9 E14 F76 G77 Y84 V108 W112 | T7-R80 PolarHBondContact O-NH1 3.12Å; Q9-R80 PolarHBondContact O-NH1 3.25Å; Q9-R80 VanDerWaalsContact O-NH1 3.14Å; Q9-R80 PolarHBondContact O-NH2 2.9Å; E14-R80 IonicContact OE1-CZ 3Å; E14-R80 IonicContact OE1-NE 3.23Å; E14-R80 PolarHBondContact OE1-NE 2.86Å; E14-R80 IonicContact OE1-NH2 3.8Å; E14-R80 PolarHBondContact OE1-NH2 2.64Å; E14-R80 IonicContact OE2-CZ 3.79Å; E14-R80 IonicContact OE2-NE 3.77Å; E14-R80 IonicContact OE2-NH2 3.51Å; E14-R80 PolarHBondContact OE2-NH2 3.15Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 WeakPolarHBondContact O-CG 3.32Å; F76-R80 PolarHBondContact O-N 3.43Å; G77-R80 PolarHBondContact O-N 3.34Å; R80-Y84 PolarHBondContact O-N 2.99Å; R80-V108 HydrophobicContact CB-CG1 3.86Å; R80-V108 HydrophobicContact CG-CG1 4.49Å; R80-V108 VanDerWaalsContact NE-CG1 3.31Å; R80-W112 HydrophobicContact CB-CD2 4.38Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4.03Å |
| 81 | T | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.6 | -34.3 | 178 | 72.8 | 0 | 0 | 0 | 0 | 111.5 | G77 Y84 M85 F103 W112 T168 Y171 | G77-T81 WeakPolarHBondContact O-CB 3.49Å; G77-T81 WeakPolarHBondContact O-CG2 3.23Å; G77-T81 PolarHBondContact O-N 3.14Å; G77-T81 PolarHBondContact O-OG1 3.38Å; T81-Y84 PolarHBondContact O-N 3.01Å; T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.42Å; T81-M85 PolarHBondContact O-N 2.87Å; T81-F103 HydrophobicContact CG2-CE2 4.19Å; T81-F103 HydrophobicContact CG2-CZ 3.7Å; T81-W112 HydrophobicContact CG2-CB 3.55Å; T81-W112 HydrophobicContact CG2-CG 4.28Å; T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.39Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.18Å; T81-Y171 HydrophobicContact CG2-CD2 4.23Å; T81-Y171 HydrophobicContact CG2-CE2 4.16Å |
| 82 | G | 95 | Very high | 94.8 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A78 Y84 M85 V86 | A78-G82 WeakPolarHBondContact O-CA 3.49Å; A78-G82 PolarHBondContact O-N 3.1Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 3.46Å; G82-M85 PolarHBondContact O-N 3.39Å; G82-V86 WeakPolarHBondContact O-CB 3.29Å; G82-V86 VanDerWaalsContact O-CG2 3.27Å; G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 3.36Å |
| 83 | A | 92.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 50 Ų | 50 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | T7 L79 Y87 | T7-A83 WeakPolarHBondContact OG1-CB 3.24Å; L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 3.44Å; A83-Y87 WeakPolarHBondContact O-CB 3.2Å; A83-Y87 PolarHBondContact O-N 3.3Å |
| 84 | Y | 93 | Very high | 94.4 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 175.3 | -179.3 | -85.1 | 0 | 0 | 0 | 112.1 | R80 T81 G82 V86 Y87 I88 D100 G102 F103 | R80-Y84 PolarHBondContact O-N 2.99Å; T81-Y84 PolarHBondContact O-N 3.01Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 3.46Å; Y84-V86 PolarHBondContact O-N 3.17Å; Y84-Y87 WeakPolarHBondContact O-CB 3.3Å; Y84-Y87 PolarHBondContact O-N 3.39Å; Y84-I88 HydrophobicContact CD1-CG1 4.21Å; Y84-I88 HydrophobicContact CE1-CG1 3.69Å; Y84-I88 HydrophobicContact CE2-CG1 4.39Å; Y84-I88 PolarHBondContact O-N 3.21Å; Y84-D100 WeakPolarHBondContact CE1-OD2 3.21Å; Y84-D100 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D100 PolarHBondContact OH-OD2 3.13Å; Y84-G102 VanDerWaalsContact OH-C 3.26Å; Y84-F103 AromaticContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.12Å; Y84-F103 AromaticContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CG 4.43Å; Y84-F103 PolarHBondContact OH-N 2.72Å |
| 85 | M | 94.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | -179.2 | -70.5 | -54 | -60.9 | 0 | 0 | 112.1 | T81 G82 Y87 L89 F103 W165 T168 | T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.42Å; T81-M85 PolarHBondContact O-N 2.87Å; G82-M85 PolarHBondContact O-N 3.39Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 PolarHBondContact O-N 3.39Å; M85-F103 HydrophobicContact CG-CE2 4.16Å; M85-F103 HydrophobicContact SD-CD2 3.7Å; M85-F103 HydrophobicContact SD-CE2 3.92Å; M85-W165 HydrophobicContact CE-CD2 3.89Å; M85-W165 HydrophobicContact CE-CG 3.72Å; M85-W165 HydrophobicContact CE-CZ2 4.43Å; M85-W165 VanDerWaalsContact CE-NE1 3.34Å; M85-T168 HydrophobicContact CG-CG2 4.14Å; M85-T168 WeakPolarHBondContact CG-OG1 3.48Å |
| 86 | V | 93.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 42% | 0.418 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.2 | 170 | 0 | 0 | 0 | 0 | 110.6 | G82 Y84 L89 M90 | G82-V86 WeakPolarHBondContact O-CB 3.29Å; G82-V86 VanDerWaalsContact O-CG2 3.27Å; G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 3.36Å; Y84-V86 PolarHBondContact O-N 3.17Å; V86-L89 PolarHBondContact O-N 3.46Å; V86-M90 HydrophobicContact CG1-CE 3.75Å; V86-M90 HydrophobicContact CG1-CG 4.28Å; V86-M90 HydrophobicContact CG1-SD 3.74Å; V86-M90 WeakPolarHBondContact O-CB 3.27Å; V86-M90 VanDerWaalsContact O-CG 3.31Å; V86-M90 WeakPolarHBondContact O-CG 3.22Å; V86-M90 PolarHBondContact O-N 3.41Å |
| 87 | Y | 91.8 | Very high | 93.8 | Very high | 109 Ų | 109 | 50.4 Ų | 50.4 | 43% | 0.427 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.6 | -51.3 | 177.2 | 172 | -100.3 | 0 | 0 | 0 | 112.1 | L8 A83 Y84 M85 L89 M90 T91 | L8-Y87 HydrophobicContact CD1-CD1 4.34Å; L8-Y87 HydrophobicContact CD1-CD2 3.92Å; L8-Y87 HydrophobicContact CD1-CG 3.8Å; A83-Y87 WeakPolarHBondContact O-CB 3.2Å; A83-Y87 PolarHBondContact O-N 3.3Å; Y84-Y87 WeakPolarHBondContact O-CB 3.3Å; Y84-Y87 PolarHBondContact O-N 3.39Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 3.41Å; Y87-M90 PolarHBondContact O-N 3.04Å; Y87-T91 HydrophobicContact CD2-CG2 4.02Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 3.41Å; Y87-T91 WeakPolarHBondContact O-CG2 3.33Å; Y87-T91 PolarHBondContact O-N 3.43Å; Y87-T91 PolarHBondContact O-OG1 3.49Å |
| 88 | I | 92.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 178.9 | -66.1 | -65.3 | 0 | 0 | 0 | 111.1 | Y84 M90 T91 K92 G93 | Y84-I88 HydrophobicContact CD1-CG1 4.21Å; Y84-I88 HydrophobicContact CE1-CG1 3.69Å; Y84-I88 HydrophobicContact CE2-CG1 4.39Å; Y84-I88 PolarHBondContact O-N 3.21Å; I88-M90 PolarHBondContact O-N 3.23Å; I88-T91 PolarHBondContact O-N 3.01Å; I88-K92 HydrophobicContact CD1-CD 4.18Å; I88-K92 HydrophobicContact CG2-CB 4.38Å; I88-K92 WeakPolarHBondContact O-CA 3.36Å; I88-K92 WeakPolarHBondContact O-CB 3.34Å; I88-K92 PolarHBondContact O-N 3.2Å; I88-G93 PolarHBondContact O-N 3.08Å |
| 89 | L | 94.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 178.2 | -179.1 | 62.1 | 0 | 0 | 0 | 112.2 | M85 V86 Y87 G93 L94 W165 | M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 PolarHBondContact O-N 3.39Å; V86-L89 PolarHBondContact O-N 3.46Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 3.41Å; L89-G93 VanDerWaalsContact O-CA 3.23Å; L89-G93 WeakPolarHBondContact O-CA 3.26Å; L89-G93 PolarHBondContact O-N 3.26Å; L89-G93 VanDerWaalsContact O-N 3.15Å; L89-L94 HydrophobicContact CD1-CB 4.12Å; L89-L94 HydrophobicContact CD1-CD1 3.97Å; L89-W165 HydrophobicContact CD1-CZ2 4.36Å; L89-W165 HydrophobicContact CD2-CH2 4.07Å; L89-W165 HydrophobicContact CD2-CZ2 4.14Å |
| 90 | M | 93.3 | Very high | 93.5 | Very high | 158 Ų | 158 | 45.3 Ų | 45.3 | 78% | 0.778 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -74.9 | -30.4 | -179.5 | -71.7 | -177.5 | 171.9 | 0 | 0 | 113.3 | V86 Y87 I88 | V86-M90 HydrophobicContact CG1-CE 3.75Å; V86-M90 HydrophobicContact CG1-CG 4.28Å; V86-M90 HydrophobicContact CG1-SD 3.74Å; V86-M90 WeakPolarHBondContact O-CB 3.27Å; V86-M90 VanDerWaalsContact O-CG 3.31Å; V86-M90 WeakPolarHBondContact O-CG 3.22Å; V86-M90 PolarHBondContact O-N 3.41Å; Y87-M90 PolarHBondContact O-N 3.04Å; I88-M90 PolarHBondContact O-N 3.23Å |
| 91 | T | 91.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -95.5 | -37.5 | -175 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | Y87 I88 | Y87-T91 HydrophobicContact CD2-CG2 4.02Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 3.41Å; Y87-T91 WeakPolarHBondContact O-CG2 3.33Å; Y87-T91 PolarHBondContact O-N 3.43Å; Y87-T91 PolarHBondContact O-OG1 3.49Å; I88-T91 PolarHBondContact O-N 3.01Å |
| 92 | K | 90.6 | Very high | 93.2 | Very high | 122 Ų | 122 | 49 Ų | 49 | 53% | 0.53 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -115 | -7.3 | -174.8 | -52.6 | -167.7 | -175.8 | 179.7 | 0 | 113.8 | I88 Q96 | I88-K92 HydrophobicContact CD1-CD 4.18Å; I88-K92 HydrophobicContact CG2-CB 4.38Å; I88-K92 WeakPolarHBondContact O-CA 3.36Å; I88-K92 WeakPolarHBondContact O-CB 3.34Å; I88-K92 PolarHBondContact O-N 3.2Å; K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.73Å; K92-Q96 HydrophobicContact CD-CG 3.67Å; K92-Q96 HydrophobicContact CG-CG 4.36Å |
| 93 | G | 93.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | 83 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I88 L89 S97 | I88-G93 PolarHBondContact O-N 3.08Å; L89-G93 VanDerWaalsContact O-CA 3.23Å; L89-G93 WeakPolarHBondContact O-CA 3.26Å; L89-G93 PolarHBondContact O-N 3.26Å; L89-G93 VanDerWaalsContact O-N 3.15Å; G93-S97 WeakPolarHBondContact O-CB 3.35Å; G93-S97 PolarHBondContact O-N 2.85Å; G93-S97 VanDerWaalsContact O-N 3.08Å |
| 94 | L | 94.3 | Very high | 93.2 | Very high | 84 Ų | 84 | 47.7 Ų | 47.7 | 44% | 0.44 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -49.3 | -171.2 | -177.3 | 65.1 | 0 | 0 | 0 | 112.7 | L89 Q96 S97 V98 W165 L215 W219 | L89-L94 HydrophobicContact CD1-CB 4.12Å; L89-L94 HydrophobicContact CD1-CD1 3.97Å; L94-Q96 PolarHBondContact O-N 3.23Å; L94-S97 PolarHBondContact O-N 3.21Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.43Å; L94-V98 HydrophobicContact CD1-CG2 4.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.26Å; L94-V98 PolarHBondContact O-N 2.95Å; L94-W165 HydrophobicContact CD1-CZ2 4.13Å; L94-L215 HydrophobicContact CD2-CD1 4.29Å; L94-W219 HydrophobicContact CD2-CH2 4.4Å; L94-W219 HydrophobicContact CG-CH2 4.18Å |
| 95 | K | 93.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 51 Ų | 51 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.5 | -51.5 | -178 | -179.6 | 175.4 | 177.4 | -175.7 | 0 | 111.7 | S97 V98 C99 W219 D223 | K95-S97 VanDerWaalsContact C-N 3.33Å; K95-S97 PolarHBondContact O-N 2.67Å; K95-V98 PolarHBondContact O-N 3.04Å; K95-C99 PolarHBondContact O-N 3.42Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.34Å; K95-W219 HydrophobicContact CB-CE3 4.39Å; K95-W219 HydrophobicContact CB-CH2 3.91Å; K95-W219 HydrophobicContact CB-CZ2 3.81Å; K95-W219 HydrophobicContact CB-CZ3 4.21Å; K95-W219 HydrophobicContact CD-CD2 4.28Å; K95-W219 HydrophobicContact CD-CG 4.33Å; K95-W219 HydrophobicContact CG-CD2 3.75Å; K95-W219 HydrophobicContact CG-CE3 3.99Å; K95-W219 HydrophobicContact CG-CG 4.19Å; K95-W219 HydrophobicContact CG-CH2 4.37Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.31Å; K95-D223 WeakPolarHBondContact CE-OD2 3.45Å; K95-D223 IonicContact NZ-OD1 3.08Å; K95-D223 PolarHBondContact NZ-OD1 3.06Å; K95-D223 VanDerWaalsContact NZ-OD1 3.08Å; K95-D223 IonicContact NZ-OD2 2.61Å; K95-D223 PolarHBondContact NZ-OD2 2.88Å |
| 96 | Q | 92.2 | Very high | 92.9 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 178.6 | -163.8 | 65.6 | 23.4 | 0 | 0 | 111.6 | K92 L94 V98 C99 D100 | K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.73Å; K92-Q96 HydrophobicContact CD-CG 3.67Å; K92-Q96 HydrophobicContact CG-CG 4.36Å; L94-Q96 PolarHBondContact O-N 3.23Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.35Å; Q96-C99 CarbonylContact O-C 3.6Å; Q96-C99 PolarHBondContact O-N 2.86Å; Q96-D100 WeakPolarHBondContact O-CA 3.23Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.36Å; Q96-D100 PolarHBondContact O-N 3.24Å |
| 97 | S | 94.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -30.8 | 177.6 | 79 | 0 | 0 | 0 | 0 | 114.1 | G93 L94 K95 W165 | G93-S97 WeakPolarHBondContact O-CB 3.35Å; G93-S97 PolarHBondContact O-N 2.85Å; G93-S97 VanDerWaalsContact O-N 3.08Å; L94-S97 PolarHBondContact O-N 3.21Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.43Å; K95-S97 VanDerWaalsContact C-N 3.33Å; K95-S97 PolarHBondContact O-N 2.67Å; S97-W165 PolarHBondContact OG-NE1 3.36Å; S97-W165 VanDerWaalsContact OG-NE1 3.12Å |
| 98 | V | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -80.9 | -41.8 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L94 K95 Q96 D100 G162 I212 V216 W219 | L94-V98 HydrophobicContact CD1-CG2 4.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.26Å; L94-V98 PolarHBondContact O-N 2.95Å; K95-V98 PolarHBondContact O-N 3.04Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.35Å; V98-D100 VanDerWaalsContact C-N 3.25Å; V98-D100 PolarHBondContact O-N 2.78Å; V98-G162 WeakPolarHBondContact O-CA 3.38Å; V98-G162 PolarHBondContact O-N 3.45Å; V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.79Å; V98-V216 HydrophobicContact CG1-CG2 3.46Å; V98-V216 VanDerWaalsContact CG1-CG2 3.46Å; V98-W219 HydrophobicContact CB-CE3 4.26Å; V98-W219 HydrophobicContact CB-CZ3 3.61Å; V98-W219 HydrophobicContact CG1-CE3 4.15Å; V98-W219 HydrophobicContact CG1-CZ3 3.81Å; V98-W219 HydrophobicContact CG2-CH2 4.48Å; V98-W219 HydrophobicContact CG2-CZ3 3.85Å |
| 99 | C | 94.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -85.2 | 6.5 | -179.4 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | K95 Q96 Q101 C227 | K95-C99 PolarHBondContact O-N 3.42Å; Q96-C99 CarbonylContact O-C 3.6Å; Q96-C99 PolarHBondContact O-N 2.86Å; C99-Q101 PolarHBondContact O-N 2.94Å; C99-Q101 VanDerWaalsContact O-N 3.07Å; C99-C227 HydrophobicContact CB-CB 3.78Å; C99-C227 WeakPolarHBondContact CB-SG 3.34Å; C99-C227 WeakPolarHBondContact SG-CB 3.36Å; C99-C227 CovalentContact SG-SG 2.05Å; C99-C227 PolarHBondContact SG-SG 2.99Å |
| 100 | D | 92.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -73.5 | 99.6 | -175 | -173.2 | 44.5 | 0 | 0 | 0 | 112.7 | Y84 Q96 V98 G102 F103 | Y84-D100 WeakPolarHBondContact CE1-OD2 3.21Å; Y84-D100 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D100 PolarHBondContact OH-OD2 3.13Å; Q96-D100 WeakPolarHBondContact O-CA 3.23Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.36Å; Q96-D100 PolarHBondContact O-N 3.24Å; V98-D100 VanDerWaalsContact C-N 3.25Å; V98-D100 PolarHBondContact O-N 2.78Å; D100-G102 PolarHBondContact O-N 3.35Å; D100-G102 WeakPolarHBondContact OD1-CA 3.5Å; D100-G102 PolarHBondContact OD1-N 3.42Å; D100-F103 PolarHBondContact OD2-N 3.18Å; D100-F103 VanDerWaalsContact OD2-N 3.11Å | ||
| 101 | Q | 92.2 | Very high | 92.5 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -16.5 | 165.4 | -59.3 | -169.1 | -75.2 | 0 | 0 | 112.2 | C99 F103 Y104 M159 | C99-Q101 PolarHBondContact O-N 2.94Å; C99-Q101 VanDerWaalsContact O-N 3.07Å; Q101-F103 PolarHBondContact O-N 3.17Å; Q101-F103 VanDerWaalsContact O-N 3.08Å; Q101-Y104 PolarHBondContact O-N 3.41Å; Q101-M159 WeakPolarHBondContact CG-O 3.46Å; Q101-M159 PolarHBondContact NE2-O 2.95Å |
| 102 | G | 91.8 | Very high | 92.8 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.5 | -25.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y84 D100 Y104 I105 G106 | Y84-G102 VanDerWaalsContact OH-C 3.26Å; D100-G102 PolarHBondContact O-N 3.35Å; D100-G102 WeakPolarHBondContact OD1-CA 3.5Å; D100-G102 PolarHBondContact OD1-N 3.42Å; G102-Y104 PolarHBondContact O-N 2.83Å; G102-Y104 VanDerWaalsContact O-N 3.17Å; G102-I105 CarbonylContact O-C 3.59Å; G102-I105 PolarHBondContact O-N 3.27Å; G102-G106 VanDerWaalsContact O-CA 3.26Å; G102-G106 WeakPolarHBondContact O-CA 3.27Å; G102-G106 PolarHBondContact O-N 3.04Å |
| 103 | F | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.4 | -34.2 | 173.8 | -171.9 | -92.3 | 0 | 0 | 0 | 113.6 | T81 Y84 M85 D100 Q101 S109 A113 M167 | T81-F103 HydrophobicContact CG2-CE2 4.19Å; T81-F103 HydrophobicContact CG2-CZ 3.7Å; Y84-F103 AromaticContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.12Å; Y84-F103 AromaticContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CG 4.43Å; Y84-F103 PolarHBondContact OH-N 2.72Å; M85-F103 HydrophobicContact CG-CE2 4.16Å; M85-F103 HydrophobicContact SD-CD2 3.7Å; M85-F103 HydrophobicContact SD-CE2 3.92Å; D100-F103 PolarHBondContact OD2-N 3.18Å; D100-F103 VanDerWaalsContact OD2-N 3.11Å; Q101-F103 PolarHBondContact O-N 3.17Å; Q101-F103 VanDerWaalsContact O-N 3.08Å; F103-S109 CarbonylContact O-C 3.5Å; F103-S109 WeakPolarHBondContact O-CB 3.38Å; F103-S109 PolarHBondContact O-OG 3.41Å; F103-A113 HydrophobicContact CD1-CB 4.03Å; F103-A113 HydrophobicContact CE1-CB 3.7Å; F103-M167 HydrophobicContact CD1-SD 4.43Å; F103-M167 HydrophobicContact CE1-CB 4.31Å; F103-M167 HydrophobicContact CE1-SD 3.69Å; F103-M167 HydrophobicContact CZ-CB 4.38Å |
| 104 | Y | 94 | Very high | 93.3 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -80.5 | -22.5 | -176.5 | -66.5 | -90.9 | 0 | 0 | 0 | 113.8 | Q101 G102 K110 A113 Y156 M159 V160 G163 M167 | Q101-Y104 PolarHBondContact O-N 3.41Å; G102-Y104 PolarHBondContact O-N 2.83Å; G102-Y104 VanDerWaalsContact O-N 3.17Å; Y104-K110 WeakPolarHBondContact O-CA 3.32Å; Y104-K110 VanDerWaalsContact O-CB 3.25Å; Y104-K110 WeakPolarHBondContact O-CB 3.21Å; Y104-A113 HydrophobicContact CD1-CB 4.42Å; Y104-Y156 AromaticContact CD1-CD2 3.76Å; Y104-Y156 HydrophobicContact CD1-CD2 3.76Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.49Å; Y104-Y156 AromaticContact CE1-CD2 3.56Å; Y104-Y156 HydrophobicContact CE1-CD2 3.56Å; Y104-Y156 AromaticContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CG 4.22Å; Y104-M159 HydrophobicContact CD1-CB 4.25Å; Y104-M159 HydrophobicContact CD1-CG 3.98Å; Y104-M159 HydrophobicContact CD2-CB 3.74Å; Y104-M159 HydrophobicContact CD2-CG 4.21Å; Y104-M159 HydrophobicContact CE2-CB 4.06Å; Y104-M159 HydrophobicContact CG-CB 3.85Å; Y104-M159 HydrophobicContact CG-CG 3.78Å; Y104-M159 HydrophobicContact CG-SD 4.38Å; Y104-V160 PolarHBondContact OH-O 2.98Å; Y104-G163 WeakPolarHBondContact OH-CA 3.45Å; Y104-M167 HydrophobicContact CE1-CE 3.74Å |
| 105 | I | 93.4 | Very high | 93.4 | Very high | 90 Ų | 90 | 26.6 Ų | 26.6 | 46% | 0.462 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -120.3 | -2.1 | -175.6 | 62.6 | 172.7 | 0 | 0 | 0 | 112.7 | E19 I23 G102 M159 | E19-I105 HydrophobicContact CG-CB 4.26Å; E19-I105 HydrophobicContact CG-CG2 4.03Å; I23-I105 HydrophobicContact CD1-CG2 4.25Å; G102-I105 CarbonylContact O-C 3.59Å; G102-I105 PolarHBondContact O-N 3.27Å; I105-M159 HydrophobicContact CG2-SD 4.48Å |
| 106 | G | 87.9 | Confident | 93.7 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -67.2 | 147 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G102 V108 S109 K110 | G102-G106 VanDerWaalsContact O-CA 3.26Å; G102-G106 WeakPolarHBondContact O-CA 3.27Å; G102-G106 PolarHBondContact O-N 3.04Å; G106-V108 VanDerWaalsContact C-N 3.3Å; G106-V108 PolarHBondContact O-N 3.32Å; G106-V108 VanDerWaalsContact O-N 3.15Å; G106-S109 PolarHBondContact O-N 3.45Å; G106-K110 VanDerWaalsContact O-CB 3.23Å; G106-K110 WeakPolarHBondContact O-CB 3.33Å; G106-K110 WeakPolarHBondContact O-CD 3.31Å; G106-K110 WeakPolarHBondContact O-CG 3.5Å; G106-K110 PolarHBondContact O-N 3.25Å |
| 107 | P | 85.4 | Confident | 93.9 | Very high | 65 Ų | 65 | 20.7 Ų | 20.7 | 42% | 0.422 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -47.8 | -169.7 | 13.7 | -28.5 | 0 | 0 | 0 | 113.3 | E10 | E10-P107 HydrophobicContact CG-CB 3.61Å; E10-P107 VanDerWaalsContact OE1-CB 3.32Å; E10-P107 WeakPolarHBondContact OE1-CB 3.21Å; E10-P107 WeakPolarHBondContact OE2-CB 2.82Å |
| 108 | V | 88.3 | Confident | 94 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -45.8 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | L8 E10 R80 G106 K110 W112 | L8-V108 VanDerWaalsContact O-CG2 3.32Å; L8-V108 WeakPolarHBondContact O-CG2 3.35Å; E10-V108 HydrophobicContact CG-CG2 3.97Å; R80-V108 HydrophobicContact CB-CG1 3.86Å; R80-V108 HydrophobicContact CG-CG1 4.49Å; R80-V108 VanDerWaalsContact NE-CG1 3.31Å; G106-V108 VanDerWaalsContact C-N 3.3Å; G106-V108 PolarHBondContact O-N 3.32Å; G106-V108 VanDerWaalsContact O-N 3.15Å; V108-K110 PolarHBondContact O-N 3.29Å; V108-W112 VanDerWaalsContact O-CD1 3.26Å |
| 109 | S | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -74.9 | -25.8 | -166.4 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | F103 G106 F111 W112 A113 | F103-S109 CarbonylContact O-C 3.5Å; F103-S109 WeakPolarHBondContact O-CB 3.38Å; F103-S109 PolarHBondContact O-OG 3.41Å; G106-S109 PolarHBondContact O-N 3.45Å; S109-F111 PolarHBondContact O-N 3.08Å; S109-W112 PolarHBondContact O-N 3.44Å; S109-A113 WeakPolarHBondContact O-CB 3.3Å; S109-A113 PolarHBondContact O-N 3.17Å |
| 110 | K | 94.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 9% | 0.087 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.9 | -48.9 | -174.6 | 62.8 | -172.5 | -170 | 163 | 0 | 114 | E14 F17 E19 Y104 G106 V108 A113 Y114 | E14-K110 WeakPolarHBondContact O-CE 3.5Å; F17-K110 HydrophobicContact CD1-CB 4.38Å; F17-K110 HydrophobicContact CD1-CD 4.36Å; F17-K110 HydrophobicContact CD1-CG 3.94Å; F17-K110 WeakPolarHBondContact O-CE 3.17Å; F17-K110 PolarHBondContact O-NZ 3.35Å; E19-K110 HydrophobicContact CB-CB 4.19Å; E19-K110 HydrophobicContact CB-CD 4.26Å; E19-K110 HydrophobicContact CG-CD 4.47Å; E19-K110 WeakPolarHBondContact OE2-CD 3.47Å; E19-K110 IonicContact OE2-NZ 2.76Å; E19-K110 PolarHBondContact OE2-NZ 2.86Å; Y104-K110 WeakPolarHBondContact O-CA 3.32Å; Y104-K110 VanDerWaalsContact O-CB 3.25Å; Y104-K110 WeakPolarHBondContact O-CB 3.21Å; G106-K110 VanDerWaalsContact O-CB 3.23Å; G106-K110 WeakPolarHBondContact O-CB 3.33Å; G106-K110 WeakPolarHBondContact O-CD 3.31Å; G106-K110 WeakPolarHBondContact O-CG 3.5Å; G106-K110 PolarHBondContact O-N 3.25Å; V108-K110 PolarHBondContact O-N 3.29Å; K110-A113 PolarHBondContact O-N 3.49Å; K110-Y114 PolarHBondContact O-N 3.49Å |
| 111 | F | 96 | Very high | 94.4 | Very high | 52 Ų | 52 | 23.6 Ų | 23.6 | 23% | 0.228 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 178.1 | 170.4 | -92.7 | 0 | 0 | 0 | 110.7 | F13 E14 F17 S109 A113 Y114 A115 | F13-F111 HydrophobicContact CD2-CD1 4.24Å; F13-F111 HydrophobicContact CD2-CD2 4.21Å; F13-F111 HydrophobicContact CD2-CE1 4.2Å; F13-F111 HydrophobicContact CD2-CE2 4.17Å; F13-F111 HydrophobicContact CD2-CG 4.24Å; F13-F111 HydrophobicContact CD2-CZ 4.16Å; F13-F111 AromaticContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD2 4.38Å; F13-F111 AromaticContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE2 4.35Å; F13-F111 HydrophobicContact CE2-CG 4.02Å; F13-F111 AromaticContact CE2-CZ 3.95Å; F13-F111 HydrophobicContact CE2-CZ 3.95Å; E14-F111 HydrophobicContact CG-CB 4.38Å; F17-F111 HydrophobicContact CB-CB 4.3Å; F17-F111 HydrophobicContact CB-CD2 4.38Å; F17-F111 HydrophobicContact CD1-CB 4.17Å; F17-F111 AromaticContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CE2-CD2 4.17Å; F17-F111 HydrophobicContact CG-CB 4.07Å; F17-F111 HydrophobicContact CG-CD2 4.05Å; S109-F111 PolarHBondContact O-N 3.08Å; F111-A113 VanDerWaalsContact C-N 3.32Å; F111-A113 PolarHBondContact O-N 3.13Å; F111-Y114 PolarHBondContact O-N 3.25Å; F111-A115 HydrophobicContact CE1-CB 4.23Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 3.19Å |
| 112 | W | 97.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 23.4 Ų | 23.4 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.5 | -31 | -176.8 | -67.9 | 103 | 0 | 0 | 0 | 113 | F13 E14 F73 F76 R80 T81 V108 S109 F116 Y171 | F13-W112 HydrophobicContact CZ-CZ2 4.32Å; E14-W112 PolarHBondContact OE1-NE1 3.08Å; F73-W112 HydrophobicContact CD2-CZ3 4.14Å; F73-W112 HydrophobicContact CE2-CE3 4.44Å; F73-W112 HydrophobicContact CE2-CZ3 4.07Å; F76-W112 HydrophobicContact CB-CH2 3.36Å; F76-W112 HydrophobicContact CB-CZ2 3.93Å; F76-W112 HydrophobicContact CB-CZ3 4.04Å; F76-W112 HydrophobicContact CG-CH2 4.45Å; R80-W112 HydrophobicContact CB-CD2 4.38Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4.03Å; T81-W112 HydrophobicContact CG2-CB 3.55Å; T81-W112 HydrophobicContact CG2-CG 4.28Å; V108-W112 VanDerWaalsContact O-CD1 3.26Å; S109-W112 PolarHBondContact O-N 3.44Å; W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.48Å; W112-F116 PolarHBondContact O-N 3.27Å; W112-Y171 PolarHBondContact O-OH 2.88Å |
| 113 | A | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | F103 Y104 S109 K110 F111 F116 V117 Y156 M167 | F103-A113 HydrophobicContact CD1-CB 4.03Å; F103-A113 HydrophobicContact CE1-CB 3.7Å; Y104-A113 HydrophobicContact CD1-CB 4.42Å; S109-A113 WeakPolarHBondContact O-CB 3.3Å; S109-A113 PolarHBondContact O-N 3.17Å; K110-A113 PolarHBondContact O-N 3.49Å; F111-A113 VanDerWaalsContact C-N 3.32Å; F111-A113 PolarHBondContact O-N 3.13Å; A113-F116 WeakPolarHBondContact O-CB 3.34Å; A113-F116 PolarHBondContact O-N 2.94Å; A113-V117 WeakPolarHBondContact O-CG2 3.22Å; A113-V117 PolarHBondContact O-N 2.98Å; A113-Y156 HydrophobicContact CB-CE2 3.92Å; A113-M167 HydrophobicContact CB-SD 3.95Å |
| 114 | Y | 97.4 | Very high | 94.9 | Very high | 39 Ų | 39 | 23.5 Ų | 23.5 | 15% | 0.153 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.2 | -48 | 176.5 | -176.8 | -118.9 | 0 | 0 | 0 | 112 | F17 A22 W25 M26 K110 F111 F116 V117 L118 Y156 | F17-Y114 AromaticContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CE1 4.25Å; F17-Y114 HydrophobicContact CE2-CG 4.33Å; F17-Y114 AromaticContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CD1 3.45Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CE1 4.27Å; F17-Y114 AromaticContact CZ-CG 3.66Å; F17-Y114 HydrophobicContact CZ-CG 3.66Å; A22-Y114 HydrophobicContact CB-CD1 4.21Å; A22-Y114 HydrophobicContact CB-CD2 3.71Å; A22-Y114 HydrophobicContact CB-CE1 4.32Å; A22-Y114 HydrophobicContact CB-CE2 3.84Å; A22-Y114 HydrophobicContact CB-CG 3.89Å; W25-Y114 HydrophobicContact CE3-CE2 4.32Å; M26-Y114 HydrophobicContact CG-CD2 4.15Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.03Å; K110-Y114 PolarHBondContact O-N 3.49Å; F111-Y114 PolarHBondContact O-N 3.25Å; Y114-F116 PolarHBondContact O-N 2.77Å; Y114-V117 PolarHBondContact O-N 2.89Å; Y114-V117 VanDerWaalsContact O-N 3.13Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.47Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.13Å; Y114-L118 HydrophobicContact CE2-CD1 4.22Å; Y114-L118 HydrophobicContact CE2-CD2 4.34Å; Y114-L118 HydrophobicContact CE2-CG 4.17Å; Y114-L118 PolarHBondContact O-N 3.11Å; Y114-L118 VanDerWaalsContact O-N 3.08Å; Y114-Y156 HydrophobicContact CD2-CE1 4.17Å |
| 115 | A | 97.4 | Very high | 95 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 12% | 0.124 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -35.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F73 F111 L118 S119 | F73-A115 HydrophobicContact CE2-CB 3.92Å; F73-A115 HydrophobicContact CZ-CB 4.01Å; F111-A115 HydrophobicContact CE1-CB 4.23Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 3.19Å; A115-L118 PolarHBondContact O-N 3.36Å; A115-S119 WeakPolarHBondContact O-CB 3.46Å; A115-S119 PolarHBondContact O-N 3.15Å |
| 116 | F | 98.1 | Very high | 95.1 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 5% | 0.053 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 176.2 | 178.3 | -93 | 0 | 0 | 0 | 112.3 | W112 A113 Y114 S119 M167 N170 Y171 | W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.48Å; W112-F116 PolarHBondContact O-N 3.27Å; A113-F116 WeakPolarHBondContact O-CB 3.34Å; A113-F116 PolarHBondContact O-N 2.94Å; Y114-F116 PolarHBondContact O-N 2.77Å; F116-S119 PolarHBondContact O-N 3.43Å; F116-S119 PolarHBondContact O-OG 2.92Å; F116-M167 HydrophobicContact CB-SD 4.33Å; F116-M167 HydrophobicContact CD1-CB 4.24Å; F116-M167 HydrophobicContact CD1-CE 4.46Å; F116-M167 HydrophobicContact CD1-CG 3.56Å; F116-M167 HydrophobicContact CD1-SD 4.05Å; F116-M167 HydrophobicContact CD2-CB 4.18Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.39Å; F116-M167 HydrophobicContact CE1-CG 3.75Å; F116-M167 HydrophobicContact CE2-CB 4.31Å; F116-M167 HydrophobicContact CG-CB 4.13Å; F116-M167 HydrophobicContact CG-CG 3.9Å; F116-M167 HydrophobicContact CG-SD 4.29Å; F116-M167 HydrophobicContact CZ-CB 4.41Å; F116-M167 HydrophobicContact CZ-CG 4.23Å; F116-N170 HydrophobicContact CE2-CB 3.67Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.41Å; F116-N170 HydrophobicContact CZ-CB 3.78Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.32Å; F116-Y171 VanDerWaalsContact CA-OH 3.26Å; F116-Y171 WeakPolarHBondContact CA-OH 3.26Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.15Å; F116-Y171 HydrophobicContact CD2-CD1 4.28Å; F116-Y171 AromaticContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CE1 4.04Å; F116-Y171 AromaticContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CG 4.23Å; F116-Y171 AromaticContact CD2-CZ 3.7Å; F116-Y171 HydrophobicContact CG-CE2 4.12Å; F116-Y171 PolarHBondContact N-OH 3.41Å; F116-Y171 VanDerWaalsContact N-OH 3.13Å |
| 117 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.2 | -40.2 | -176 | 177.2 | 0 | 0 | 0 | 0 | 110 | M26 A113 Y114 S119 K120 W153 Y156 M167 | M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.22Å; A113-V117 PolarHBondContact O-N 2.98Å; Y114-V117 PolarHBondContact O-N 2.89Å; Y114-V117 VanDerWaalsContact O-N 3.13Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.3Å; V117-K120 PolarHBondContact O-N 3.41Å; V117-W153 HydrophobicContact CG1-CB 4.48Å; V117-W153 HydrophobicContact CG1-CG 3.95Å; V117-W153 PolarHBondContact O-NE1 2.87Å; V117-Y156 HydrophobicContact CB-CD2 4.38Å; V117-Y156 HydrophobicContact CG2-CD2 3.49Å; V117-Y156 VanDerWaalsContact CG2-CD2 3.49Å; V117-Y156 HydrophobicContact CG2-CE2 4.36Å; V117-Y156 HydrophobicContact CG2-CG 3.85Å; V117-M167 HydrophobicContact CG2-CE 4.19Å |
| 118 | L | 96.9 | Very high | 95.9 | Very high | 52 Ų | 52 | 20.2 Ų | 20.2 | 27% | 0.272 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.9 | -37.7 | 173 | -67.9 | -170.3 | 0 | 0 | 0 | 112.3 | W25 M26 Y114 A115 K120 A121 P122 W153 | W25-L118 HydrophobicContact CH2-CD2 4.15Å; W25-L118 HydrophobicContact CZ3-CD2 3.81Å; M26-L118 HydrophobicContact SD-CD2 4.49Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.47Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.13Å; Y114-L118 HydrophobicContact CE2-CD1 4.22Å; Y114-L118 HydrophobicContact CE2-CD2 4.34Å; Y114-L118 HydrophobicContact CE2-CG 4.17Å; Y114-L118 PolarHBondContact O-N 3.11Å; Y114-L118 VanDerWaalsContact O-N 3.08Å; A115-L118 PolarHBondContact O-N 3.36Å; L118-K120 PolarHBondContact O-N 2.91Å; L118-K120 VanDerWaalsContact O-N 3.08Å; L118-A121 PolarHBondContact O-N 3Å; L118-A121 VanDerWaalsContact O-N 3.15Å; L118-P122 WeakPolarHBondContact O-CD 3.49Å; L118-W153 HydrophobicContact CD2-CZ2 4.07Å |
| 119 | S | 97.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -23.2 | -177 | 85.1 | 0 | 0 | 0 | 0 | 113.6 | F73 A115 F116 V117 A121 P122 E123 | F73-S119 VanDerWaalsContact CE1-CB 3.44Å; A115-S119 WeakPolarHBondContact O-CB 3.46Å; A115-S119 PolarHBondContact O-N 3.15Å; F116-S119 PolarHBondContact O-N 3.43Å; F116-S119 PolarHBondContact O-OG 2.92Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.3Å; S119-A121 PolarHBondContact O-N 2.99Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.46Å; S119-E123 WeakPolarHBondContact O-CB 3.21Å; S119-E123 WeakPolarHBondContact O-CG 3.43Å; S119-E123 PolarHBondContact O-N 3.07Å; S119-E123 PolarHBondContact OG-OE1 2.93Å |
| 120 | K | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.3 | -28.9 | 178.8 | -57.6 | -43.7 | 175.9 | -164.6 | 0 | 113.3 | V117 L118 E123 V148 L149 S152 N170 | V117-K120 PolarHBondContact O-N 3.41Å; L118-K120 PolarHBondContact O-N 2.91Å; L118-K120 VanDerWaalsContact O-N 3.08Å; K120-E123 WeakPolarHBondContact CD-OE2 3.41Å; K120-E123 IonicContact NZ-OE1 3.54Å; K120-E123 PolarHBondContact NZ-OE1 3.23Å; K120-E123 IonicContact NZ-OE2 3.94Å; K120-E123 PolarHBondContact NZ-OE2 3.24Å; K120-V148 HydrophobicContact CD-CG1 4.31Å; K120-V148 HydrophobicContact CD-CG2 4.5Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.75Å; K120-S152 WeakPolarHBondContact CG-OG 3.04Å; K120-N170 PolarHBondContact NZ-OD1 3.38Å |
| 121 | A | 96 | Very high | 96.3 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 21% | 0.207 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.3 | -49.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F36 L118 S119 E123 L124 L149 | F36-A121 HydrophobicContact CD2-CB 4.3Å; L118-A121 PolarHBondContact O-N 3Å; L118-A121 VanDerWaalsContact O-N 3.15Å; S119-A121 PolarHBondContact O-N 2.99Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 2.93Å; A121-L124 VanDerWaalsContact O-CB 3.25Å; A121-L124 WeakPolarHBondContact O-CB 3.48Å; A121-L124 WeakPolarHBondContact O-CG 3.45Å; A121-L124 PolarHBondContact O-N 3.39Å; A121-L149 HydrophobicContact CB-CD1 4.18Å |
| 122 | P | 96 | Very high | 96.3 | Very high | 64 Ų | 64 | 22.5 Ų | 22.5 | 42% | 0.416 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -54.8 | -41.5 | 168.9 | -29.9 | 36.1 | 0 | 0 | 0 | 113.7 | W66 L118 S119 L124 G125 | W66-P122 HydrophobicContact CH2-CB 4.21Å; W66-P122 VanDerWaalsContact CH2-O 3.26Å; W66-P122 WeakPolarHBondContact CH2-O 3.23Å; W66-P122 WeakPolarHBondContact CZ2-O 3.49Å; L118-P122 WeakPolarHBondContact O-CD 3.49Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.46Å; P122-L124 PolarHBondContact O-N 3.16Å; P122-G125 WeakPolarHBondContact O-CA 3.05Å; P122-G125 PolarHBondContact O-N 2.71Å |
| 123 | E | 97.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56 | -22.8 | 179.5 | -76.5 | 170.8 | -145.8 | 0 | 0 | 113.4 | L70 S119 K120 A121 G125 D126 H174 | L70-E123 HydrophobicContact CD2-CG 4.49Å; S119-E123 WeakPolarHBondContact O-CB 3.21Å; S119-E123 WeakPolarHBondContact O-CG 3.43Å; S119-E123 PolarHBondContact O-N 3.07Å; S119-E123 PolarHBondContact OG-OE1 2.93Å; K120-E123 WeakPolarHBondContact CD-OE2 3.41Å; K120-E123 IonicContact NZ-OE1 3.54Å; K120-E123 PolarHBondContact NZ-OE1 3.23Å; K120-E123 IonicContact NZ-OE2 3.94Å; K120-E123 PolarHBondContact NZ-OE2 3.24Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 2.93Å; E123-G125 PolarHBondContact O-N 3.1Å; E123-G125 VanDerWaalsContact O-N 3.12Å; E123-D126 WeakPolarHBondContact O-CB 3.34Å; E123-D126 PolarHBondContact O-N 3.41Å; E123-D126 VanDerWaalsContact O-N 3.07Å; E123-H174 IonicContact OE1-ND1 2.6Å; E123-H174 IonicContact OE2-CE1 3.35Å; E123-H174 PolarHBondContact OE2-CE1 3.27Å; E123-H174 IonicContact OE2-ND1 2.89Å |
| 124 | L | 95.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.105 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.1 | 170.7 | -57 | -177.9 | 0 | 0 | 0 | 112.9 | Y40 A121 P122 D126 T127 H145 L149 | Y40-L124 HydrophobicContact CD1-CD2 4.37Å; Y40-L124 HydrophobicContact CD2-CB 3.76Å; Y40-L124 HydrophobicContact CD2-CD1 4.11Å; Y40-L124 HydrophobicContact CD2-CD2 3.93Å; Y40-L124 HydrophobicContact CD2-CG 4.15Å; Y40-L124 HydrophobicContact CE1-CD2 4.37Å; Y40-L124 HydrophobicContact CE2-CB 3.88Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CE2-CG 4.4Å; Y40-L124 HydrophobicContact CG-CD1 4.21Å; Y40-L124 HydrophobicContact CG-CD2 4.13Å; A121-L124 VanDerWaalsContact O-CB 3.25Å; A121-L124 WeakPolarHBondContact O-CB 3.48Å; A121-L124 WeakPolarHBondContact O-CG 3.45Å; A121-L124 PolarHBondContact O-N 3.39Å; P122-L124 PolarHBondContact O-N 3.16Å; L124-D126 PolarHBondContact O-N 3.36Å; L124-T127 PolarHBondContact O-N 2.89Å; L124-T127 VanDerWaalsContact O-N 3.15Å; L124-H145 HydrophobicContact CD2-CB 3.83Å; L124-L149 HydrophobicContact CD1-CD2 3.98Å |
| 125 | G | 94.8 | Very high | 95.7 | Very high | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.1 | -25.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | P122 E123 T127 I128 F129 | P122-G125 WeakPolarHBondContact O-CA 3.05Å; P122-G125 PolarHBondContact O-N 2.71Å; E123-G125 PolarHBondContact O-N 3.1Å; E123-G125 VanDerWaalsContact O-N 3.12Å; G125-T127 PolarHBondContact O-N 2.6Å; G125-I128 VanDerWaalsContact O-CB 3.28Å; G125-I128 WeakPolarHBondContact O-CB 3.42Å; G125-I128 PolarHBondContact O-N 3.36Å; G125-F129 VanDerWaalsContact O-CD2 3.28Å; G125-F129 WeakPolarHBondContact O-CD2 3.29Å; G125-F129 PolarHBondContact O-N 3.31Å |
| 126 | D | 95.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.5 | -40.1 | 175.4 | -72.6 | -14.1 | 0 | 0 | 0 | 111.5 | W66 E123 L124 I128 F129 I130 Y178 | W66-D126 PolarHBondContact NE1-OD1 2.89Å; E123-D126 WeakPolarHBondContact O-CB 3.34Å; E123-D126 PolarHBondContact O-N 3.41Å; E123-D126 VanDerWaalsContact O-N 3.07Å; L124-D126 PolarHBondContact O-N 3.36Å; D126-I128 VanDerWaalsContact C-N 3.33Å; D126-I128 PolarHBondContact O-N 2.76Å; D126-F129 PolarHBondContact O-N 2.6Å; D126-I130 WeakPolarHBondContact O-CG1 3.21Å; D126-I130 PolarHBondContact O-N 3.02Å; D126-I130 VanDerWaalsContact O-N 3.17Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y178 PolarHBondContact OD2-OH 3.42Å |
| 127 | T | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70 | -31.1 | 179 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | Y40 I44 L124 G125 F129 I130 I131 L137 H141 | Y40-T127 HydrophobicContact CE2-CG2 3.95Å; Y40-T127 PolarHBondContact OH-OG1 2.86Å; I44-T127 HydrophobicContact CD1-CG2 4.17Å; I44-T127 HydrophobicContact CG1-CG2 3.7Å; L124-T127 PolarHBondContact O-N 2.89Å; L124-T127 VanDerWaalsContact O-N 3.15Å; G125-T127 PolarHBondContact O-N 2.6Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.31Å; T127-I130 PolarHBondContact O-N 3.1Å; T127-I131 HydrophobicContact CG2-CD1 3.74Å; T127-I131 HydrophobicContact CG2-CG1 4.21Å; T127-I131 WeakPolarHBondContact O-CG1 3.43Å; T127-I131 PolarHBondContact O-N 2.98Å; T127-L137 HydrophobicContact CG2-CD1 4.13Å; T127-L137 HydrophobicContact CG2-CD2 3.78Å; T127-H141 PolarHBondContact OG1-CD2 3Å; T127-H141 PolarHBondContact OG1-NE2 3.23Å |
| 128 | I | 94.3 | Very high | 95 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 36% | 0.359 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 174.2 | -56.3 | 179.7 | 0 | 0 | 0 | 109.1 | F43 G125 D126 I130 I131 L132 | F43-I128 HydrophobicContact CD1-CG1 4.36Å; F43-I128 HydrophobicContact CE1-CB 4.15Å; F43-I128 HydrophobicContact CE1-CG1 3.63Å; F43-I128 HydrophobicContact CE1-CG2 4.44Å; F43-I128 HydrophobicContact CZ-CB 4.18Å; F43-I128 HydrophobicContact CZ-CG1 3.85Å; F43-I128 HydrophobicContact CZ-CG2 3.96Å; G125-I128 VanDerWaalsContact O-CB 3.28Å; G125-I128 WeakPolarHBondContact O-CB 3.42Å; G125-I128 PolarHBondContact O-N 3.36Å; D126-I128 VanDerWaalsContact C-N 3.33Å; D126-I128 PolarHBondContact O-N 2.76Å; I128-I130 VanDerWaalsContact C-N 3.34Å; I128-I130 PolarHBondContact O-N 3.12Å; I128-I131 PolarHBondContact O-N 2.97Å; I128-L132 HydrophobicContact CG2-CD1 3.67Å; I128-L132 HydrophobicContact CG2-CG 4.19Å; I128-L132 WeakPolarHBondContact O-CB 3.37Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.13Å; I128-L132 PolarHBondContact O-N 2.86Å |
| 129 | F | 95 | Very high | 94.9 | Very high | 30 Ų | 30 | 47 Ų | 47 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 177 | -70.4 | -72.5 | 0 | 0 | 0 | 112.8 | L59 P62 L63 W66 G125 D126 T127 R133 | L59-F129 HydrophobicContact CB-CD1 4.08Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.48Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.33Å; L63-F129 HydrophobicContact CB-CD1 4.12Å; L63-F129 HydrophobicContact CB-CE1 4.27Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.19Å; L63-F129 HydrophobicContact CD1-CD2 4.05Å; L63-F129 HydrophobicContact CD1-CG 3.81Å; W66-F129 HydrophobicContact CB-CE2 3.85Å; W66-F129 HydrophobicContact CB-CZ 4Å; W66-F129 AromaticContact CD1-CE2 3.66Å; W66-F129 AromaticContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CE3-CE2 4.45Å; W66-F129 HydrophobicContact CG-CD2 4.3Å; W66-F129 AromaticContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CE2 3.48Å; W66-F129 VanDerWaalsContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CZ 4.11Å; G125-F129 VanDerWaalsContact O-CD2 3.28Å; G125-F129 WeakPolarHBondContact O-CD2 3.29Å; G125-F129 PolarHBondContact O-N 3.31Å; D126-F129 PolarHBondContact O-N 2.6Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.31Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.25Å; F129-R133 PolarHBondContact O-N 3.5Å |
| 130 | I | 95.1 | Very high | 94.8 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 178 | -66.6 | 170.5 | 0 | 0 | 0 | 110.4 | D126 T127 I128 K134 Q135 L137 | D126-I130 WeakPolarHBondContact O-CG1 3.21Å; D126-I130 PolarHBondContact O-N 3.02Å; D126-I130 VanDerWaalsContact O-N 3.17Å; T127-I130 PolarHBondContact O-N 3.1Å; I128-I130 VanDerWaalsContact C-N 3.34Å; I128-I130 PolarHBondContact O-N 3.12Å; I130-K134 PolarHBondContact O-N 2.97Å; I130-Q135 HydrophobicContact CB-CB 4.49Å; I130-Q135 HydrophobicContact CG2-CB 3.86Å; I130-Q135 PolarHBondContact O-N 2.82Å; I130-L137 HydrophobicContact CD1-CD1 4.36Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.32Å |
| 131 | I | 95.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -50.1 | -178.4 | -69.5 | 174.2 | 0 | 0 | 0 | 111.2 | F43 I44 R48 M51 T127 I128 R133 K134 L137 | F43-I131 HydrophobicContact CD1-CD1 4.21Å; F43-I131 HydrophobicContact CE1-CD1 3.88Å; I44-I131 HydrophobicContact CB-CD1 4.35Å; I44-I131 HydrophobicContact CG1-CD1 4.16Å; R48-I131 HydrophobicContact CG-CD1 4.47Å; R48-I131 HydrophobicContact CG-CG1 4.36Å; M51-I131 HydrophobicContact CG-CG2 3.96Å; T127-I131 HydrophobicContact CG2-CD1 3.74Å; T127-I131 HydrophobicContact CG2-CG1 4.21Å; T127-I131 WeakPolarHBondContact O-CG1 3.43Å; T127-I131 PolarHBondContact O-N 2.98Å; I128-I131 PolarHBondContact O-N 2.97Å; I131-R133 VanDerWaalsContact C-N 3.25Å; I131-R133 PolarHBondContact O-N 2.96Å; I131-K134 PolarHBondContact O-N 3.31Å; I131-L137 HydrophobicContact CD1-CD2 4.28Å; I131-L137 HydrophobicContact CG1-CD2 4.33Å |
| 132 | L | 94.7 | Very high | 94.7 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -29 | -177.9 | -66.5 | -179.1 | 0 | 0 | 0 | 112.7 | M51 F57 L59 I128 K134 | M51-L132 WeakPolarHBondContact CE-O 3.48Å; M51-L132 HydrophobicContact CG-CD2 4.39Å; M51-L132 HydrophobicContact SD-CD2 3.92Å; F57-L132 HydrophobicContact CD2-CB 4.11Å; F57-L132 HydrophobicContact CD2-CD2 4.1Å; F57-L132 HydrophobicContact CE2-CD2 4.17Å; F57-L132 PolarHBondContact N-O 3.43Å; L59-L132 HydrophobicContact CD1-CB 3.58Å; L59-L132 HydrophobicContact CD1-CD1 3.66Å; L59-L132 HydrophobicContact CD1-CG 4.29Å; I128-L132 HydrophobicContact CG2-CD1 3.67Å; I128-L132 HydrophobicContact CG2-CG 4.19Å; I128-L132 WeakPolarHBondContact O-CB 3.37Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.13Å; I128-L132 PolarHBondContact O-N 2.86Å; L132-K134 VanDerWaalsContact C-N 3.32Å |
| 133 | R | 94.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 50.9 Ų | 50.9 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6.7 | 175 | -62.7 | 178.5 | 65.5 | -138.3 | -3.1 | 113.6 | L59 L63 F129 I131 Q135 | L59-R133 HydrophobicContact CB-CG 4.32Å; L59-R133 HydrophobicContact CD1-CG 4.5Å; L63-R133 VanDerWaalsContact CD2-NH1 3.28Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.25Å; F129-R133 PolarHBondContact O-N 3.5Å; I131-R133 VanDerWaalsContact C-N 3.25Å; I131-R133 PolarHBondContact O-N 2.96Å; R133-Q135 HydrophobicContact CB-CG 3.98Å; R133-Q135 PolarHBondContact O-N 3.32Å; R133-Q135 PolarHBondContact O-NE2 3.32Å; R133-Q135 VanDerWaalsContact O-NE2 3.1Å |
| 134 | K | 92.4 | Very high | 94.7 | Very high | 95 Ų | 95 | 51.8 Ų | 51.8 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.1 | -176.7 | -64.7 | -168.1 | 163.1 | -165.8 | 0 | 113.8 | M51 R54 K56 I130 I131 L132 | M51-K134 HydrophobicContact CE-CG 4.04Å; M51-K134 WeakPolarHBondContact O-CE 3.39Å; M51-K134 PolarHBondContact O-NZ 2.81Å; R54-K134 WeakPolarHBondContact O-CE 3.39Å; R54-K134 PolarHBondContact O-NZ 3.18Å; K56-K134 HydrophobicContact CB-CB 4.35Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.17Å; I130-K134 PolarHBondContact O-N 2.97Å; I131-K134 PolarHBondContact O-N 3.31Å; L132-K134 VanDerWaalsContact C-N 3.32Å |
| 135 | Q | 92.6 | Very high | 94.8 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | trans | -83.3 | 154.2 | 175 | -61.1 | -57.5 | -60.4 | 0 | 0 | 110.3 | I130 R133 L137 | I130-Q135 HydrophobicContact CB-CB 4.49Å; I130-Q135 HydrophobicContact CG2-CB 3.86Å; I130-Q135 PolarHBondContact O-N 2.82Å; R133-Q135 HydrophobicContact CB-CG 3.98Å; R133-Q135 PolarHBondContact O-N 3.32Å; R133-Q135 PolarHBondContact O-NE2 3.32Å; R133-Q135 VanDerWaalsContact O-NE2 3.1Å; Q135-L137 PolarHBondContact O-N 3.39Å | ||
| 136 | K | 91.6 | Very high | 94.9 | Very high | 189 Ų | 189 | 52 Ų | 52 | 82% | 0.822 | 24% | 0.235 | S | C | * | . | trans | -68.1 | 105.4 | 179 | -174.4 | -177.8 | -179.2 | -177.5 | 0 | 109.8 | I138 | K136-I138 HydrophobicContact CD-CG2 4.46Å; K136-I138 HydrophobicContact CG-CG2 4.35Å; K136-I138 PolarHBondContact O-N 3.46Å | ||
| 137 | L | 93.3 | Very high | 95 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | trans | -79.9 | 109 | 171.8 | 171.8 | 67.4 | 0 | 0 | 0 | 109.4 | I44 R48 T127 I130 I131 Q135 H141 W142 | I44-L137 HydrophobicContact CB-CD2 4.49Å; I44-L137 HydrophobicContact CD1-CD2 4.31Å; I44-L137 HydrophobicContact CG1-CD2 4.04Å; I44-L137 HydrophobicContact CG2-CD2 3.68Å; R48-L137 VanDerWaalsContact NH2-CD2 3.33Å; R48-L137 PolarHBondContact NH2-O 3.49Å; T127-L137 HydrophobicContact CG2-CD1 4.13Å; T127-L137 HydrophobicContact CG2-CD2 3.78Å; I130-L137 HydrophobicContact CD1-CD1 4.36Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.32Å; I131-L137 HydrophobicContact CD1-CD2 4.28Å; I131-L137 HydrophobicContact CG1-CD2 4.33Å; Q135-L137 PolarHBondContact O-N 3.39Å; L137-H141 HydrophobicContact CD1-CB 4.09Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.47Å; L137-W142 HydrophobicContact CD1-CB 4.42Å | ||
| 138 | I | 94 | Very high | 95.1 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | trans | -82.8 | 155.3 | -178.4 | 61.1 | 174.2 | 0 | 0 | 0 | 112 | K136 L140 H141 W142 F251 | K136-I138 HydrophobicContact CD-CG2 4.46Å; K136-I138 HydrophobicContact CG-CG2 4.35Å; K136-I138 PolarHBondContact O-N 3.46Å; I138-L140 HydrophobicContact CD1-CB 4.13Å; I138-L140 HydrophobicContact CD1-CD2 4.45Å; I138-L140 HydrophobicContact CG1-CB 4.42Å; I138-L140 PolarHBondContact O-N 2.96Å; I138-H141 HydrophobicContact CG1-CB 3.86Å; I138-H141 PolarHBondContact O-N 2.84Å; I138-W142 VanDerWaalsContact O-CD1 3.28Å; I138-F251 HydrophobicContact CD1-CD2 4.31Å; I138-F251 HydrophobicContact CD1-CE2 4.28Å | ||
| 139 | F | 94.2 | Very high | 95.2 | Very high | 109 Ų | 109 | 50.1 Ų | 50.1 | 48% | 0.478 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.9 | -50.6 | 178.3 | 175.1 | -104.5 | 0 | 0 | 0 | 112.6 | H141 W142 Y143 L247 | F139-H141 PolarHBondContact O-N 3.02Å; F139-H141 VanDerWaalsContact O-N 3.1Å; F139-W142 AromaticContact CD2-CE2 3.69Å; F139-W142 HydrophobicContact CD2-CH2 4.08Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.92Å; F139-W142 AromaticContact CE2-CH2 3.74Å; F139-W142 HydrophobicContact CE2-CH2 3.74Å; F139-W142 AromaticContact CE2-CZ2 3.49Å; F139-W142 HydrophobicContact CE2-CZ2 3.49Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.49Å; F139-W142 PolarHBondContact O-N 3.44Å; F139-Y143 HydrophobicContact CE1-CD1 4.38Å; F139-Y143 HydrophobicContact CE1-CG 4.08Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.87Å; F139-Y143 HydrophobicContact CZ-CG 3.87Å; F139-Y143 VanDerWaalsContact O-CB 3.23Å; F139-Y143 WeakPolarHBondContact O-CB 3.38Å; F139-Y143 PolarHBondContact O-N 2.83Å; F139-L247 HydrophobicContact CD1-CD1 4.47Å; F139-L247 HydrophobicContact CD1-CD2 4.11Å; F139-L247 HydrophobicContact CE1-CD1 4.12Å; F139-L247 HydrophobicContact CE1-CD2 4.16Å |
| 140 | L | 94.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49.1 | -41.1 | 179.7 | 170.1 | 62.9 | 0 | 0 | 0 | 112.6 | I138 H144 L247 F248 F251 | I138-L140 HydrophobicContact CD1-CB 4.13Å; I138-L140 HydrophobicContact CD1-CD2 4.45Å; I138-L140 HydrophobicContact CG1-CB 4.42Å; I138-L140 PolarHBondContact O-N 2.96Å; L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-N 3.49Å; L140-L247 HydrophobicContact CD1-CB 3.59Å; L140-L247 HydrophobicContact CD1-CD1 4.04Å; L140-L247 HydrophobicContact CD1-CG 4.46Å; L140-F248 HydrophobicContact CD1-CD2 4.04Å; L140-F248 HydrophobicContact CD1-CE2 3.88Å; L140-F248 HydrophobicContact CD1-CZ 4.32Å; L140-F248 HydrophobicContact CD2-CD1 4.04Å; L140-F248 HydrophobicContact CD2-CD2 4.45Å; L140-F248 HydrophobicContact CD2-CE1 3.97Å; L140-F248 HydrophobicContact CD2-CE2 4.39Å; L140-F248 HydrophobicContact CD2-CG 4.28Å; L140-F248 HydrophobicContact CD2-CZ 4.15Å; L140-F251 HydrophobicContact CD2-CB 4.15Å; L140-F251 HydrophobicContact CD2-CG 4.39Å |
| 141 | H | 95.8 | Very high | 95.4 | Very high | 40 Ų | 40 | 50 Ų | 50 | 19% | 0.185 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68 | -57.1 | -175.3 | -176.5 | 85.9 | 0 | 0 | 0 | 112 | T127 L137 I138 F139 H144 H145 | T127-H141 PolarHBondContact OG1-CD2 3Å; T127-H141 PolarHBondContact OG1-NE2 3.23Å; L137-H141 HydrophobicContact CD1-CB 4.09Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.47Å; I138-H141 HydrophobicContact CG1-CB 3.86Å; I138-H141 PolarHBondContact O-N 2.84Å; F139-H141 PolarHBondContact O-N 3.02Å; F139-H141 VanDerWaalsContact O-N 3.1Å; H141-H144 PolarHBondContact O-N 2.89Å; H141-H145 AromaticContact CD2-CD2 3.61Å; H141-H145 AromaticContact CE1-CD2 3.43Å; H141-H145 PolarHBondContact CE1-CD2 2.91Å; H141-H145 VanDerWaalsContact CE1-CD2 3.43Å; H141-H145 AromaticContact CE1-NE2 3.07Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.9Å; H141-H145 AromaticContact ND1-CD2 3.78Å; H141-H145 AromaticContact ND1-NE2 3.63Å; H141-H145 AromaticContact NE2-CD2 3.35Å; H141-H145 PolarHBondContact NE2-CD2 3.31Å; H141-H145 VanDerWaalsContact NE2-CD2 3.35Å; H141-H145 AromaticContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 3.41Å; H141-H145 PolarHBondContact O-N 2.85Å |
| 142 | W | 95.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 27% | 0.265 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.6 | -32.6 | -175.5 | 68.4 | -98 | 0 | 0 | 0 | 112.6 | Y40 I44 L137 I138 F139 I146 | Y40-W142 HydrophobicContact CE1-CB 4.16Å; I44-W142 HydrophobicContact CD1-CB 3.54Å; I44-W142 HydrophobicContact CD1-CG 4.2Å; L137-W142 HydrophobicContact CD1-CB 4.42Å; I138-W142 VanDerWaalsContact O-CD1 3.28Å; F139-W142 AromaticContact CD2-CE2 3.69Å; F139-W142 HydrophobicContact CD2-CH2 4.08Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.92Å; F139-W142 AromaticContact CE2-CH2 3.74Å; F139-W142 HydrophobicContact CE2-CH2 3.74Å; F139-W142 AromaticContact CE2-CZ2 3.49Å; F139-W142 HydrophobicContact CE2-CZ2 3.49Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.49Å; F139-W142 PolarHBondContact O-N 3.44Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.14Å; W142-I146 WeakPolarHBondContact O-CG1 3.2Å; W142-I146 PolarHBondContact O-N 3.21Å; W142-I146 VanDerWaalsContact O-N 3.17Å |
| 143 | Y | 97.1 | Very high | 95.6 | Very high | 56 Ų | 56 | 48 Ų | 48 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.4 | -55.1 | 171.5 | 172.5 | -107.6 | 0 | 0 | 0 | 110 | F139 H145 I146 T147 S243 Y244 L247 | F139-Y143 HydrophobicContact CE1-CD1 4.38Å; F139-Y143 HydrophobicContact CE1-CG 4.08Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.87Å; F139-Y143 HydrophobicContact CZ-CG 3.87Å; F139-Y143 VanDerWaalsContact O-CB 3.23Å; F139-Y143 WeakPolarHBondContact O-CB 3.38Å; F139-Y143 PolarHBondContact O-N 2.83Å; Y143-H145 PolarHBondContact O-N 3.4Å; Y143-I146 PolarHBondContact O-N 3.39Å; Y143-T147 HydrophobicContact CD2-CG2 4.19Å; Y143-T147 HydrophobicContact CE2-CG2 3.73Å; Y143-T147 PolarHBondContact O-N 3.32Å; Y143-T147 PolarHBondContact O-OG1 3.47Å; Y143-S243 WeakPolarHBondContact CE1-OG 3.47Å; Y143-S243 PolarHBondContact OH-OG 3.48Å; Y143-S243 VanDerWaalsContact OH-OG 3.09Å; Y143-Y244 HydrophobicContact CD1-CD1 4.32Å; Y143-Y244 AromaticContact CD1-CE1 3.97Å; Y143-Y244 HydrophobicContact CD1-CE1 3.97Å; Y143-Y244 AromaticContact CE1-CD1 3.91Å; Y143-Y244 HydrophobicContact CE1-CD1 3.91Å; Y143-Y244 AromaticContact CE1-CE1 3.65Å; Y143-Y244 HydrophobicContact CE1-CE1 3.65Å; Y143-L247 HydrophobicContact CD1-CD1 3.64Å; Y143-L247 HydrophobicContact CE1-CD1 3.79Å |
| 144 | H | 96.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 9% | 0.088 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.5 | -49.5 | 178.2 | 169.8 | -89 | 0 | 0 | 0 | 112.7 | L140 H141 I146 T147 V148 Y244 | L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-N 3.49Å; H141-H144 PolarHBondContact O-N 2.89Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 3Å; H144-T147 PolarHBondContact O-N 3.4Å; H144-T147 PolarHBondContact O-OG1 3.3Å; H144-V148 WeakPolarHBondContact O-CB 3.46Å; H144-V148 WeakPolarHBondContact O-CG1 3.37Å; H144-V148 PolarHBondContact O-N 2.87Å; H144-Y244 HydrophobicContact CB-CE1 4.17Å; H144-Y244 AromaticContact CD2-CD2 3.92Å; H144-Y244 AromaticContact CD2-CE2 3.43Å; H144-Y244 VanDerWaalsContact CD2-CE2 3.43Å; H144-Y244 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y244 AromaticContact CD2-CZ 3.52Å; H144-Y244 PolarHBondContact O-OH 3.39Å; H144-Y244 VanDerWaalsContact O-OH 3.1Å |
| 145 | H | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | -177.8 | -83.3 | -68.1 | 0 | 0 | 0 | 113.2 | Y40 L124 H141 Y143 L149 | Y40-H145 HydrophobicContact CE1-CB 4.31Å; L124-H145 HydrophobicContact CD2-CB 3.83Å; H141-H145 AromaticContact CD2-CD2 3.61Å; H141-H145 AromaticContact CE1-CD2 3.43Å; H141-H145 PolarHBondContact CE1-CD2 2.91Å; H141-H145 VanDerWaalsContact CE1-CD2 3.43Å; H141-H145 AromaticContact CE1-NE2 3.07Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.9Å; H141-H145 AromaticContact ND1-CD2 3.78Å; H141-H145 AromaticContact ND1-NE2 3.63Å; H141-H145 AromaticContact NE2-CD2 3.35Å; H141-H145 PolarHBondContact NE2-CD2 3.31Å; H141-H145 VanDerWaalsContact NE2-CD2 3.35Å; H141-H145 AromaticContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 3.41Å; H141-H145 PolarHBondContact O-N 2.85Å; Y143-H145 PolarHBondContact O-N 3.4Å; H145-L149 VanDerWaalsContact O-CB 3.32Å; H145-L149 WeakPolarHBondContact O-CB 3.1Å; H145-L149 PolarHBondContact O-N 3.01Å |
| 146 | I | 97.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.9 | -54 | 174.2 | -70.8 | 175.1 | 0 | 0 | 0 | 110.2 | Y40 A41 W142 Y143 H144 V148 L149 L150 | Y40-I146 HydrophobicContact CD1-CD1 3.91Å; Y40-I146 HydrophobicContact CD1-CG1 3.54Å; Y40-I146 HydrophobicContact CE1-CD1 4.12Å; Y40-I146 HydrophobicContact CE1-CG1 3.69Å; A41-I146 HydrophobicContact CB-CD1 4.49Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.14Å; W142-I146 WeakPolarHBondContact O-CG1 3.2Å; W142-I146 PolarHBondContact O-N 3.21Å; W142-I146 VanDerWaalsContact O-N 3.17Å; Y143-I146 PolarHBondContact O-N 3.39Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 3Å; I146-V148 PolarHBondContact O-N 3.45Å; I146-L149 PolarHBondContact O-N 3.17Å; I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 WeakPolarHBondContact O-CG 3.45Å; I146-L150 PolarHBondContact O-N 3Å; I146-L150 VanDerWaalsContact O-N 3.1Å |
| 147 | T | 97.6 | Very high | 95.9 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.9 | -36.8 | -171.4 | 42.7 | 0 | 0 | 0 | 0 | 112.5 | Y143 H144 Y151 Y244 | Y143-T147 HydrophobicContact CD2-CG2 4.19Å; Y143-T147 HydrophobicContact CE2-CG2 3.73Å; Y143-T147 PolarHBondContact O-N 3.32Å; Y143-T147 PolarHBondContact O-OG1 3.47Å; H144-T147 PolarHBondContact O-N 3.4Å; H144-T147 PolarHBondContact O-OG1 3.3Å; T147-Y151 WeakPolarHBondContact O-CB 3.49Å; T147-Y151 PolarHBondContact O-N 2.86Å; T147-Y244 WeakPolarHBondContact CB-OH 3.35Å; T147-Y244 WeakPolarHBondContact OG1-CE1 3.46Å; T147-Y244 PolarHBondContact OG1-OH 3.47Å |
| 148 | V | 96.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.7 | -34.5 | 176.3 | 78.7 | 0 | 0 | 0 | 0 | 112.3 | K120 H144 I146 S152 Y244 | K120-V148 HydrophobicContact CD-CG1 4.31Å; K120-V148 HydrophobicContact CD-CG2 4.5Å; H144-V148 WeakPolarHBondContact O-CB 3.46Å; H144-V148 WeakPolarHBondContact O-CG1 3.37Å; H144-V148 PolarHBondContact O-N 2.87Å; I146-V148 PolarHBondContact O-N 3.45Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 3.45Å; V148-S152 PolarHBondContact O-OG 2.81Å; V148-Y244 PolarHBondContact N-OH 3.45Å |
| 149 | L | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.7 | -51.2 | 175.4 | 176.1 | 64.7 | 0 | 0 | 0 | 110.7 | F36 K120 A121 L124 H145 I146 S152 W153 | F36-L149 HydrophobicContact CB-CD2 3.89Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.75Å; A121-L149 HydrophobicContact CB-CD1 4.18Å; L124-L149 HydrophobicContact CD1-CD2 3.98Å; H145-L149 VanDerWaalsContact O-CB 3.32Å; H145-L149 WeakPolarHBondContact O-CB 3.1Å; H145-L149 PolarHBondContact O-N 3.01Å; I146-L149 PolarHBondContact O-N 3.17Å; L149-S152 PolarHBondContact O-OG 3.34Å; L149-W153 HydrophobicContact CD1-CG 4.46Å; L149-W153 VanDerWaalsContact O-CD1 3.23Å; L149-W153 PolarHBondContact O-N 2.99Å |
| 150 | L | 97.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 24.5 Ų | 24.5 | 21% | 0.209 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 178.3 | -66.1 | 174.7 | 0 | 0 | 0 | 111.3 | F34 I146 Y154 | F34-L150 HydrophobicContact CB-CD2 4.43Å; F34-L150 HydrophobicContact CD1-CD1 4.48Å; F34-L150 HydrophobicContact CD1-CD2 3.62Å; F34-L150 HydrophobicContact CD2-CD2 4.39Å; F34-L150 HydrophobicContact CE1-CD1 4.35Å; F34-L150 HydrophobicContact CE1-CD2 3.88Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.37Å; I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 WeakPolarHBondContact O-CG 3.45Å; I146-L150 PolarHBondContact O-N 3Å; I146-L150 VanDerWaalsContact O-N 3.1Å; L150-Y154 VanDerWaalsContact O-CB 3.23Å; L150-Y154 WeakPolarHBondContact O-CB 3.48Å; L150-Y154 PolarHBondContact O-N 3.44Å |
| 151 | Y | 97.1 | Very high | 95.6 | Very high | 25 Ų | 25 | 23.8 Ų | 23.8 | 10% | 0.098 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | -176.6 | 176.3 | -102.5 | 0 | 0 | 0 | 112.3 | T147 W153 Y154 S155 N233 W236 S237 M240 | T147-Y151 WeakPolarHBondContact O-CB 3.49Å; T147-Y151 PolarHBondContact O-N 2.86Å; Y151-W153 VanDerWaalsContact C-N 3.33Å; Y151-W153 PolarHBondContact O-N 3.14Å; Y151-Y154 PolarHBondContact O-N 3.12Å; Y151-S155 WeakPolarHBondContact CE2-OG 3.17Å; Y151-S155 WeakPolarHBondContact O-CB 3.25Å; Y151-S155 PolarHBondContact O-N 3.09Å; Y151-S155 PolarHBondContact O-OG 3.34Å; Y151-S155 VanDerWaalsContact O-OG 3.14Å; Y151-S155 PolarHBondContact OH-OG 3.1Å; Y151-N233 PolarHBondContact OH-OD1 3.26Å; Y151-W236 HydrophobicContact CD2-CB 4.48Å; Y151-S237 VanDerWaalsContact CZ-CB 3.45Å; Y151-S237 WeakPolarHBondContact OH-CB 3.43Å; Y151-S237 PolarHBondContact OH-OG 3.5Å; Y151-M240 HydrophobicContact CD1-CE 3.4Å; Y151-M240 VanDerWaalsContact CD1-CE 3.4Å; Y151-M240 HydrophobicContact CD1-SD 3.87Å; Y151-M240 HydrophobicContact CE1-CE 3.76Å; Y151-M240 HydrophobicContact CG-CE 3.92Å; Y151-M240 HydrophobicContact CG-SD 3.89Å |
| 152 | S | 96.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.063 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | -179.2 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | K120 V148 L149 Y156 | K120-S152 WeakPolarHBondContact CG-OG 3.04Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 3.45Å; V148-S152 PolarHBondContact O-OG 2.81Å; L149-S152 PolarHBondContact O-OG 3.34Å; S152-Y156 VanDerWaalsContact O-CB 3.32Å; S152-Y156 WeakPolarHBondContact O-CB 3.47Å; S152-Y156 PolarHBondContact O-N 3.37Å |
| 153 | W | 96.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.7 | -41.6 | 177.6 | -76.1 | 44.3 | 0 | 0 | 0 | 111.7 | W25 M26 W30 K32 F36 V117 L118 L149 Y151 | W25-W153 AromaticContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CZ3 4.06Å; W25-W153 HydrophobicContact CZ3-CH2 4.04Å; W25-W153 HydrophobicContact CZ3-CZ3 4.17Å; M26-W153 HydrophobicContact CE-CB 3.94Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.27Å; M26-W153 HydrophobicContact CE-CG 3.88Å; W30-W153 HydrophobicContact CB-CB 4.34Å; W30-W153 WeakPolarHBondContact CB-O 3.33Å; K32-W153 HydrophobicContact CB-CZ3 4Å; F36-W153 HydrophobicContact CD2-CH2 4.21Å; F36-W153 HydrophobicContact CD2-CZ2 4.49Å; F36-W153 AromaticContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CZ2 4.21Å; F36-W153 HydrophobicContact CE2-CZ3 4.27Å; V117-W153 HydrophobicContact CG1-CB 4.48Å; V117-W153 HydrophobicContact CG1-CG 3.95Å; V117-W153 PolarHBondContact O-NE1 2.87Å; L118-W153 HydrophobicContact CD2-CZ2 4.07Å; L149-W153 HydrophobicContact CD1-CG 4.46Å; L149-W153 VanDerWaalsContact O-CD1 3.23Å; L149-W153 PolarHBondContact O-N 2.99Å; Y151-W153 VanDerWaalsContact C-N 3.33Å; Y151-W153 PolarHBondContact O-N 3.14Å |
| 154 | Y | 95.8 | Very high | 95.4 | Very high | 38 Ų | 38 | 16.5 Ų | 16.5 | 15% | 0.149 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.9 | 173.3 | -104.5 | 0 | 0 | 0 | 112.6 | W30 L150 Y151 K157 N233 | W30-Y154 HydrophobicContact CE3-CD2 4.11Å; W30-Y154 HydrophobicContact CH2-CD2 4.11Å; W30-Y154 AromaticContact CZ3-CD2 3.76Å; W30-Y154 HydrophobicContact CZ3-CD2 3.76Å; L150-Y154 VanDerWaalsContact O-CB 3.23Å; L150-Y154 WeakPolarHBondContact O-CB 3.48Å; L150-Y154 PolarHBondContact O-N 3.44Å; Y151-Y154 PolarHBondContact O-N 3.12Å; Y154-K157 WeakPolarHBondContact O-CD 3.34Å; Y154-K157 WeakPolarHBondContact O-CE 3.48Å; Y154-K157 VanDerWaalsContact O-CG 3.31Å; Y154-K157 WeakPolarHBondContact O-CG 3.08Å; Y154-N233 HydrophobicContact CE1-CB 4.17Å; Y154-N233 WeakPolarHBondContact CE1-ND2 3.48Å |
| 155 | S | 94.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -79.3 | -34.1 | -175.4 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | Y151 K157 D158 M159 N233 | Y151-S155 WeakPolarHBondContact CE2-OG 3.17Å; Y151-S155 WeakPolarHBondContact O-CB 3.25Å; Y151-S155 PolarHBondContact O-N 3.09Å; Y151-S155 PolarHBondContact O-OG 3.34Å; Y151-S155 VanDerWaalsContact O-OG 3.14Å; Y151-S155 PolarHBondContact OH-OG 3.1Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 2.87Å; S155-D158 PolarHBondContact O-N 3.49Å; S155-M159 PolarHBondContact O-N 3.19Å; S155-N233 WeakPolarHBondContact CA-ND2 3.46Å; S155-N233 WeakPolarHBondContact CB-ND2 3.5Å; S155-N233 PolarHBondContact OG-ND2 3.45Å; S155-N233 PolarHBondContact OG-OD1 3Å |
| 156 | Y | 94.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.2 | -35.6 | -178.9 | -175.2 | -81.7 | 0 | 0 | 0 | 112.6 | I23 M26 Y104 A113 Y114 V117 S152 D158 M159 M167 | I23-Y156 HydrophobicContact CG1-CE1 4.25Å; M26-Y156 HydrophobicContact CB-CD1 3.74Å; M26-Y156 HydrophobicContact CB-CE1 4.15Å; M26-Y156 HydrophobicContact CE-CD1 4.49Å; M26-Y156 HydrophobicContact CG-CD1 3.48Å; M26-Y156 VanDerWaalsContact CG-CD1 3.48Å; M26-Y156 HydrophobicContact CG-CE1 3.68Å; M26-Y156 HydrophobicContact CG-CG 4.47Å; Y104-Y156 AromaticContact CD1-CD2 3.76Å; Y104-Y156 HydrophobicContact CD1-CD2 3.76Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.49Å; Y104-Y156 AromaticContact CE1-CD2 3.56Å; Y104-Y156 HydrophobicContact CE1-CD2 3.56Å; Y104-Y156 AromaticContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CG 4.22Å; A113-Y156 HydrophobicContact CB-CE2 3.92Å; Y114-Y156 HydrophobicContact CD2-CE1 4.17Å; V117-Y156 HydrophobicContact CB-CD2 4.38Å; V117-Y156 HydrophobicContact CG2-CD2 3.49Å; V117-Y156 VanDerWaalsContact CG2-CD2 3.49Å; V117-Y156 HydrophobicContact CG2-CE2 4.36Å; V117-Y156 HydrophobicContact CG2-CG 3.85Å; S152-Y156 VanDerWaalsContact O-CB 3.32Å; S152-Y156 WeakPolarHBondContact O-CB 3.47Å; S152-Y156 PolarHBondContact O-N 3.37Å; Y156-D158 PolarHBondContact O-N 3.2Å; Y156-D158 VanDerWaalsContact O-N 3.1Å; Y156-M159 PolarHBondContact O-N 3.28Å; Y156-M167 HydrophobicContact CD2-CE 4.09Å |
| 157 | K | 91.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 17.1 Ų | 17.1 | 14% | 0.143 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.5 | -177.8 | 88.2 | -171.1 | 171.3 | 62.5 | 0 | 113.3 | Q27 W30 Y154 S155 | Q27-K157 HydrophobicContact CG-CB 4.02Å; Q27-K157 WeakPolarHBondContact CG-O 3.19Å; Q27-K157 PolarHBondContact NE2-O 3.42Å; Q27-K157 VanDerWaalsContact NE2-O 3.15Å; W30-K157 HydrophobicContact CB-CD 4.42Å; W30-K157 HydrophobicContact CD2-CD 4.01Å; W30-K157 HydrophobicContact CG-CD 3.75Å; Y154-K157 WeakPolarHBondContact O-CD 3.34Å; Y154-K157 WeakPolarHBondContact O-CE 3.48Å; Y154-K157 VanDerWaalsContact O-CG 3.31Å; Y154-K157 WeakPolarHBondContact O-CG 3.08Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 2.87Å |
| 158 | D | 90.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 16.6 Ų | 16.6 | 13% | 0.134 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 0.1 | -178.1 | -62.6 | -26.3 | 0 | 0 | 0 | 112.1 | S155 Y156 V160 Y228 H230 | S155-D158 PolarHBondContact O-N 3.49Å; Y156-D158 PolarHBondContact O-N 3.2Å; Y156-D158 VanDerWaalsContact O-N 3.1Å; D158-V160 HydrophobicContact CB-CG1 3.79Å; D158-V160 PolarHBondContact O-N 3.3Å; D158-Y228 WeakPolarHBondContact O-CE1 3.27Å; D158-H230 IonicContact OD2-CD2 3.6Å; D158-H230 IonicContact OD2-NE2 3.87Å |
| 159 | M | 92.8 | Very high | 95.5 | Very high | 47 Ų | 47 | 17.5 Ų | 17.5 | 23% | 0.232 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.8 | -178.7 | -59.5 | 179.6 | -71.8 | 0 | 0 | 112.9 | I23 Q101 Y104 I105 S155 Y156 | I23-M159 HydrophobicContact CD1-CE 4.32Å; I23-M159 HydrophobicContact CD1-SD 3.46Å; I23-M159 WeakPolarHBondContact CD1-SD 3.46Å; I23-M159 HydrophobicContact CG1-SD 4.06Å; Q101-M159 WeakPolarHBondContact CG-O 3.46Å; Q101-M159 PolarHBondContact NE2-O 2.95Å; Y104-M159 HydrophobicContact CD1-CB 4.25Å; Y104-M159 HydrophobicContact CD1-CG 3.98Å; Y104-M159 HydrophobicContact CD2-CB 3.74Å; Y104-M159 HydrophobicContact CD2-CG 4.21Å; Y104-M159 HydrophobicContact CE2-CB 4.06Å; Y104-M159 HydrophobicContact CG-CB 3.85Å; Y104-M159 HydrophobicContact CG-CG 3.78Å; Y104-M159 HydrophobicContact CG-SD 4.38Å; I105-M159 HydrophobicContact CG2-SD 4.48Å; S155-M159 PolarHBondContact O-N 3.19Å; Y156-M159 PolarHBondContact O-N 3.28Å |
| 160 | V | 93.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | trans | -64.7 | 148.6 | -171.9 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | Y104 D158 G163 N233 | Y104-V160 PolarHBondContact OH-O 2.98Å; D158-V160 HydrophobicContact CB-CG1 3.79Å; D158-V160 PolarHBondContact O-N 3.3Å; V160-G163 PolarHBondContact O-N 3.46Å; V160-N233 HydrophobicContact CG1-CB 4.34Å | ||
| 161 | A | 93.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.033 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 149.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G163 V216 C227 Y228 | A161-G163 VanDerWaalsContact C-N 3.25Å; A161-G163 PolarHBondContact O-N 3.15Å; A161-V216 HydrophobicContact CB-CG1 4.04Å; A161-V216 HydrophobicContact CB-CG2 4.16Å; A161-C227 VanDerWaalsContact CB-SG 3.59Å; A161-Y228 WeakPolarHBondContact CB-O 3.42Å; A161-Y228 PolarHBondContact N-O 3.14Å |
| 162 | G | 94.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -15.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V98 G164 W165 F166 | V98-G162 WeakPolarHBondContact O-CA 3.38Å; V98-G162 PolarHBondContact O-N 3.45Å; G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.4Å; G162-W165 PolarHBondContact O-N 3.44Å; G162-W165 VanDerWaalsContact O-N 3.12Å; G162-F166 VanDerWaalsContact C-CD2 3.47Å; G162-F166 WeakPolarHBondContact O-CD2 3.3Å; G162-F166 WeakPolarHBondContact O-CG 3.46Å; G162-F166 PolarHBondContact O-N 3.44Å; G162-F166 VanDerWaalsContact O-N 3.08Å |
| 163 | G | 94.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -49.9 | -48.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y104 V160 A161 W165 F166 M167 | Y104-G163 WeakPolarHBondContact OH-CA 3.45Å; V160-G163 PolarHBondContact O-N 3.46Å; A161-G163 VanDerWaalsContact C-N 3.25Å; A161-G163 PolarHBondContact O-N 3.15Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 2.85Å; G163-F166 PolarHBondContact O-N 3.25Å; G163-M167 WeakPolarHBondContact O-CB 3.25Å; G163-M167 VanDerWaalsContact O-CG 3.25Å; G163-M167 WeakPolarHBondContact O-CG 3.25Å; G163-M167 PolarHBondContact O-N 2.99Å |
| 164 | G | 96.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 5% | 0.052 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.8 | -40.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | G162 T168 | G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.4Å; G164-T168 WeakPolarHBondContact O-CB 3.39Å; G164-T168 PolarHBondContact O-N 3.1Å; G164-T168 PolarHBondContact O-OG1 3.39Å |
| 165 | W | 97.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 15.4 Ų | 15.4 | 17% | 0.167 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.9 | -49.4 | 174.9 | -82.3 | 99.3 | 0 | 0 | 0 | 111.9 | M85 L89 L94 S97 G162 G163 M167 T168 M169 I212 | M85-W165 HydrophobicContact CE-CD2 3.89Å; M85-W165 HydrophobicContact CE-CG 3.72Å; M85-W165 HydrophobicContact CE-CZ2 4.43Å; M85-W165 VanDerWaalsContact CE-NE1 3.34Å; L89-W165 HydrophobicContact CD1-CZ2 4.36Å; L89-W165 HydrophobicContact CD2-CH2 4.07Å; L89-W165 HydrophobicContact CD2-CZ2 4.14Å; L94-W165 HydrophobicContact CD1-CZ2 4.13Å; S97-W165 PolarHBondContact OG-NE1 3.36Å; S97-W165 VanDerWaalsContact OG-NE1 3.12Å; G162-W165 PolarHBondContact O-N 3.44Å; G162-W165 VanDerWaalsContact O-N 3.12Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 2.85Å; W165-M167 PolarHBondContact O-N 3.14Å; W165-T168 PolarHBondContact O-N 2.84Å; W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.43Å; W165-M169 HydrophobicContact CE3-SD 4.38Å; W165-M169 WeakPolarHBondContact O-CB 3.34Å; W165-M169 WeakPolarHBondContact O-CE 3.29Å; W165-M169 VanDerWaalsContact O-CG 3.28Å; W165-M169 WeakPolarHBondContact O-CG 3.5Å; W165-M169 PolarHBondContact O-N 3.23Å; W165-I212 HydrophobicContact CB-CD1 4.01Å; W165-I212 HydrophobicContact CB-CG1 4.08Å; W165-I212 HydrophobicContact CB-CG2 4.34Å; W165-I212 HydrophobicContact CD2-CD1 3.91Å; W165-I212 HydrophobicContact CG-CD1 3.66Å; W165-I212 HydrophobicContact CG-CG1 4.26Å |
| 166 | F | 97.3 | Very high | 96 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 5% | 0.053 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | -179.2 | -63 | -48.8 | 0 | 0 | 0 | 112.2 | G162 G163 M169 N170 I212 N213 Y241 | G162-F166 VanDerWaalsContact C-CD2 3.47Å; G162-F166 WeakPolarHBondContact O-CD2 3.3Å; G162-F166 WeakPolarHBondContact O-CG 3.46Å; G162-F166 PolarHBondContact O-N 3.44Å; G162-F166 VanDerWaalsContact O-N 3.08Å; G163-F166 PolarHBondContact O-N 3.25Å; F166-M169 HydrophobicContact CD1-CE 4.4Å; F166-N170 VanDerWaalsContact O-CB 3.3Å; F166-N170 WeakPolarHBondContact O-CB 3.38Å; F166-N170 PolarHBondContact O-N 2.82Å; F166-N170 VanDerWaalsContact O-N 3.11Å; F166-I212 HydrophobicContact CE1-CB 3.95Å; F166-I212 HydrophobicContact CE1-CG2 3.88Å; F166-I212 HydrophobicContact CE2-CG2 4.13Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.6Å; F166-N213 WeakPolarHBondContact CZ-OD1 3.21Å; F166-Y241 HydrophobicContact CD1-CE1 4.31Å; F166-Y241 AromaticContact CD1-CE2 3.52Å; F166-Y241 HydrophobicContact CD1-CE2 3.52Å; F166-Y241 AromaticContact CD1-CZ 3.39Å; F166-Y241 WeakPolarHBondContact CD1-OH 3.34Å; F166-Y241 HydrophobicContact CE1-CD2 4.15Å; F166-Y241 AromaticContact CE1-CE2 3.54Å; F166-Y241 HydrophobicContact CE1-CE2 3.54Å; F166-Y241 AromaticContact CE1-CZ 3.8Å; F166-Y241 HydrophobicContact CG-CE2 4.16Å; F166-Y241 HydrophobicContact CZ-CE2 4.23Å |
| 167 | M | 97.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 18 Ų | 18 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.9 | -47.6 | -179.9 | -63.7 | -178.5 | -166.1 | 0 | 0 | 111.5 | F103 Y104 A113 F116 V117 Y156 G163 W165 M169 N170 Y171 | F103-M167 HydrophobicContact CD1-SD 4.43Å; F103-M167 HydrophobicContact CE1-CB 4.31Å; F103-M167 HydrophobicContact CE1-SD 3.69Å; F103-M167 HydrophobicContact CZ-CB 4.38Å; Y104-M167 HydrophobicContact CE1-CE 3.74Å; A113-M167 HydrophobicContact CB-SD 3.95Å; F116-M167 HydrophobicContact CB-SD 4.33Å; F116-M167 HydrophobicContact CD1-CB 4.24Å; F116-M167 HydrophobicContact CD1-CE 4.46Å; F116-M167 HydrophobicContact CD1-CG 3.56Å; F116-M167 HydrophobicContact CD1-SD 4.05Å; F116-M167 HydrophobicContact CD2-CB 4.18Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.39Å; F116-M167 HydrophobicContact CE1-CG 3.75Å; F116-M167 HydrophobicContact CE2-CB 4.31Å; F116-M167 HydrophobicContact CG-CB 4.13Å; F116-M167 HydrophobicContact CG-CG 3.9Å; F116-M167 HydrophobicContact CG-SD 4.29Å; F116-M167 HydrophobicContact CZ-CB 4.41Å; F116-M167 HydrophobicContact CZ-CG 4.23Å; V117-M167 HydrophobicContact CG2-CE 4.19Å; Y156-M167 HydrophobicContact CD2-CE 4.09Å; G163-M167 WeakPolarHBondContact O-CB 3.25Å; G163-M167 VanDerWaalsContact O-CG 3.25Å; G163-M167 WeakPolarHBondContact O-CG 3.25Å; G163-M167 PolarHBondContact O-N 2.99Å; W165-M167 PolarHBondContact O-N 3.14Å; M167-M169 PolarHBondContact O-N 3.47Å; M167-N170 PolarHBondContact O-N 3.27Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 2.89Å |
| 168 | T | 97.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 16.4 Ų | 16.4 | 13% | 0.129 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | -178.1 | -61 | 0 | 0 | 0 | 0 | 112.1 | T81 M85 G164 W165 N170 Y171 G172 | T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.39Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.18Å; M85-T168 HydrophobicContact CG-CG2 4.14Å; M85-T168 WeakPolarHBondContact CG-OG1 3.48Å; G164-T168 WeakPolarHBondContact O-CB 3.39Å; G164-T168 PolarHBondContact O-N 3.1Å; G164-T168 PolarHBondContact O-OG1 3.39Å; W165-T168 PolarHBondContact O-N 2.84Å; T168-N170 VanDerWaalsContact C-N 3.34Å; T168-N170 PolarHBondContact O-N 2.85Å; T168-Y171 PolarHBondContact O-N 3.37Å; T168-G172 PolarHBondContact O-N 3.42Å |
| 169 | M | 97.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 17.1 Ų | 17.1 | 16% | 0.158 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.1 | -68.6 | -174.1 | -69.5 | 0 | 0 | 111.4 | W165 F166 M167 G172 V173 Q205 M208 I212 | W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.43Å; W165-M169 HydrophobicContact CE3-SD 4.38Å; W165-M169 WeakPolarHBondContact O-CB 3.34Å; W165-M169 WeakPolarHBondContact O-CE 3.29Å; W165-M169 VanDerWaalsContact O-CG 3.28Å; W165-M169 WeakPolarHBondContact O-CG 3.5Å; W165-M169 PolarHBondContact O-N 3.23Å; F166-M169 HydrophobicContact CD1-CE 4.4Å; M167-M169 PolarHBondContact O-N 3.47Å; M169-G172 PolarHBondContact O-N 3.29Å; M169-V173 WeakPolarHBondContact O-CG2 3.47Å; M169-V173 PolarHBondContact O-N 2.94Å; M169-Q205 HydrophobicContact CB-CG 4.1Å; M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.55Å; M169-M208 VanDerWaalsContact SD-CB 3.55Å; M169-M208 HydrophobicContact SD-CG 4.28Å; M169-I212 HydrophobicContact CE-CG1 4.42Å |
| 170 | N | 98.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 3% | 0.032 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 178.4 | -175.9 | -102.2 | 0 | 0 | 0 | 111.8 | F116 K120 F166 M167 T168 G172 V173 H174 | F116-N170 HydrophobicContact CE2-CB 3.67Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.41Å; F116-N170 HydrophobicContact CZ-CB 3.78Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.32Å; K120-N170 PolarHBondContact NZ-OD1 3.38Å; F166-N170 VanDerWaalsContact O-CB 3.3Å; F166-N170 WeakPolarHBondContact O-CB 3.38Å; F166-N170 PolarHBondContact O-N 2.82Å; F166-N170 VanDerWaalsContact O-N 3.11Å; M167-N170 PolarHBondContact O-N 3.27Å; T168-N170 VanDerWaalsContact C-N 3.34Å; T168-N170 PolarHBondContact O-N 2.85Å; N170-G172 VanDerWaalsContact C-N 3.31Å; N170-G172 PolarHBondContact O-N 3.04Å; N170-V173 PolarHBondContact O-N 2.7Å; N170-H174 PolarHBondContact ND2-CD2 3.49Å; N170-H174 PolarHBondContact ND2-NE2 2.94Å; N170-H174 VanDerWaalsContact ND2-NE2 3.11Å; N170-H174 WeakPolarHBondContact O-CB 3.29Å; N170-H174 PolarHBondContact O-CD2 2.98Å; N170-H174 PolarHBondContact O-N 3.29Å |
| 171 | Y | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.4 | -46.3 | 172.7 | -86.4 | -53.3 | 0 | 0 | 0 | 111.7 | F73 T81 W112 F116 M167 T168 H174 A175 | F73-Y171 HydrophobicContact CD1-CE1 4.18Å; F73-Y171 AromaticContact CE1-CE1 3.57Å; F73-Y171 HydrophobicContact CE1-CE1 3.57Å; F73-Y171 AromaticContact CZ-CE1 3.8Å; F73-Y171 HydrophobicContact CZ-CE1 3.8Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.33Å; T81-Y171 HydrophobicContact CG2-CD2 4.23Å; T81-Y171 HydrophobicContact CG2-CE2 4.16Å; W112-Y171 PolarHBondContact O-OH 2.88Å; F116-Y171 VanDerWaalsContact CA-OH 3.26Å; F116-Y171 WeakPolarHBondContact CA-OH 3.26Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.15Å; F116-Y171 HydrophobicContact CD2-CD1 4.28Å; F116-Y171 AromaticContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CE1 4.04Å; F116-Y171 AromaticContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CG 4.23Å; F116-Y171 AromaticContact CD2-CZ 3.7Å; F116-Y171 HydrophobicContact CG-CE2 4.12Å; F116-Y171 PolarHBondContact N-OH 3.41Å; F116-Y171 VanDerWaalsContact N-OH 3.13Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 2.89Å; T168-Y171 PolarHBondContact O-N 3.37Å; Y171-H174 PolarHBondContact O-N 3.14Å; Y171-A175 VanDerWaalsContact O-CB 3.29Å; Y171-A175 WeakPolarHBondContact O-CB 3.2Å; Y171-A175 PolarHBondContact O-N 3.42Å |
| 172 | G | 98.1 | Very high | 97.2 | Very high | 29 Ų | 29 | 21.1 Ų | 21.1 | 30% | 0.299 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T168 M169 N170 A175 V176 | T168-G172 PolarHBondContact O-N 3.42Å; M169-G172 PolarHBondContact O-N 3.29Å; N170-G172 VanDerWaalsContact C-N 3.31Å; N170-G172 PolarHBondContact O-N 3.04Å; G172-A175 WeakPolarHBondContact O-CB 3.42Å; G172-A175 PolarHBondContact O-N 3.43Å; G172-V176 PolarHBondContact O-N 3.48Å |
| 173 | V | 98 | Very high | 97.2 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | M169 N170 A175 V176 M177 Q202 Q205 | M169-V173 WeakPolarHBondContact O-CG2 3.47Å; M169-V173 PolarHBondContact O-N 2.94Å; N170-V173 PolarHBondContact O-N 2.7Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.02Å; V173-V176 PolarHBondContact O-N 3.31Å; V173-M177 WeakPolarHBondContact O-CB 3.33Å; V173-M177 PolarHBondContact O-N 3.14Å; V173-Q202 HydrophobicContact CG1-CB 4.49Å; V173-Q202 HydrophobicContact CG1-CG 3.45Å; V173-Q202 VanDerWaalsContact CG1-CG 3.45Å; V173-Q205 HydrophobicContact CG2-CB 4.08Å; V173-Q205 HydrophobicContact CG2-CG 4.44Å |
| 174 | H | 97.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.1 | -35.5 | 177.7 | -81.9 | -145.6 | 0 | 0 | 0 | 112 | E123 N170 Y171 V176 M177 Y178 | E123-H174 IonicContact OE1-ND1 2.6Å; E123-H174 IonicContact OE2-CE1 3.35Å; E123-H174 PolarHBondContact OE2-CE1 3.27Å; E123-H174 IonicContact OE2-ND1 2.89Å; N170-H174 PolarHBondContact ND2-CD2 3.49Å; N170-H174 PolarHBondContact ND2-NE2 2.94Å; N170-H174 VanDerWaalsContact ND2-NE2 3.11Å; N170-H174 WeakPolarHBondContact O-CB 3.29Å; N170-H174 PolarHBondContact O-CD2 2.98Å; N170-H174 PolarHBondContact O-N 3.29Å; Y171-H174 PolarHBondContact O-N 3.14Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.09Å; H174-M177 PolarHBondContact O-N 3.43Å; H174-Y178 HydrophobicContact CB-CD2 3.99Å; H174-Y178 HydrophobicContact CB-CE2 4.13Å; H174-Y178 AromaticContact ND1-CE2 3.57Å; H174-Y178 WeakPolarHBondContact O-CB 3.26Å; H174-Y178 WeakPolarHBondContact O-CD2 3.28Å; H174-Y178 PolarHBondContact O-N 3.26Å |
| 175 | A | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.4 | -47.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I75 Y171 G172 V173 S179 | I75-A175 HydrophobicContact CB-CB 4.48Å; I75-A175 HydrophobicContact CG1-CB 3.7Å; Y171-A175 VanDerWaalsContact O-CB 3.29Å; Y171-A175 WeakPolarHBondContact O-CB 3.2Å; Y171-A175 PolarHBondContact O-N 3.42Å; G172-A175 WeakPolarHBondContact O-CB 3.42Å; G172-A175 PolarHBondContact O-N 3.43Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.02Å; A175-S179 VanDerWaalsContact O-CB 3.22Å; A175-S179 WeakPolarHBondContact O-CB 3.38Å; A175-S179 PolarHBondContact O-N 3.41Å; A175-S179 PolarHBondContact O-OG 3.33Å |
| 176 | V | 97.5 | Very high | 96.8 | Very high | 49 Ų | 49 | 30.8 Ų | 30.8 | 30% | 0.297 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.1 | -44.9 | 178.4 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | G172 V173 H174 Y180 F194 F197 I198 | G172-V176 PolarHBondContact O-N 3.48Å; V173-V176 PolarHBondContact O-N 3.31Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.09Å; V176-Y180 PolarHBondContact O-N 3.37Å; V176-F194 HydrophobicContact CG1-CE1 4.24Å; V176-F194 HydrophobicContact CG1-CZ 3.95Å; V176-F197 HydrophobicContact CG1-CE1 4.46Å; V176-I198 HydrophobicContact CG1-CD1 4.48Å; V176-I198 HydrophobicContact CG1-CG1 3.9Å |
| 177 | M | 97.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.069 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | -177.8 | -176.1 | -170 | 72 | 0 | 0 | 112.4 | V173 H174 Y180 Y181 I198 Q202 | V173-M177 WeakPolarHBondContact O-CB 3.33Å; V173-M177 PolarHBondContact O-N 3.14Å; H174-M177 PolarHBondContact O-N 3.43Å; M177-Y180 WeakPolarHBondContact O-CB 3.14Å; M177-Y180 PolarHBondContact O-N 2.73Å; M177-Y181 HydrophobicContact CE-CE2 3.96Å; M177-Y181 HydrophobicContact CG-CD2 4.18Å; M177-Y181 HydrophobicContact CG-CE1 4.35Å; M177-Y181 HydrophobicContact CG-CE2 3.58Å; M177-Y181 PolarHBondContact O-N 2.76Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; M177-I198 HydrophobicContact CB-CG2 4.11Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; M177-Q202 PolarHBondContact SD-NE2 3.42Å |
| 178 | Y | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.6 | -33.5 | -179.6 | -77.5 | -62.1 | 0 | 0 | 0 | 112.3 | L70 D126 H174 Y180 Y181 A182 | L70-Y178 HydrophobicContact CB-CD1 3.86Å; L70-Y178 HydrophobicContact CB-CD2 3.73Å; L70-Y178 HydrophobicContact CB-CE1 4.1Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.69Å; L70-Y178 HydrophobicContact CD1-CD1 4.02Å; L70-Y178 HydrophobicContact CD1-CE1 3.45Å; L70-Y178 VanDerWaalsContact CD1-CE1 3.45Å; L70-Y178 HydrophobicContact CD1-CE2 4.1Å; L70-Y178 HydrophobicContact CG-CE1 4.42Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y178 PolarHBondContact OD2-OH 3.42Å; H174-Y178 HydrophobicContact CB-CD2 3.99Å; H174-Y178 HydrophobicContact CB-CE2 4.13Å; H174-Y178 AromaticContact ND1-CE2 3.57Å; H174-Y178 WeakPolarHBondContact O-CB 3.26Å; H174-Y178 WeakPolarHBondContact O-CD2 3.28Å; H174-Y178 PolarHBondContact O-N 3.26Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 3.49Å; Y178-Y181 AromaticContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CE1-CD2 4.28Å; Y178-Y181 PolarHBondContact O-N 3.42Å; Y178-A182 WeakPolarHBondContact O-CB 3.48Å; Y178-A182 PolarHBondContact O-N 3.02Å |
| 179 | S | 97.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 170.7 | -63.9 | 0 | 0 | 0 | 0 | 111 | A175 A182 L183 | A175-S179 VanDerWaalsContact O-CB 3.22Å; A175-S179 WeakPolarHBondContact O-CB 3.38Å; A175-S179 PolarHBondContact O-N 3.41Å; A175-S179 PolarHBondContact O-OG 3.33Å; S179-A182 PolarHBondContact O-N 3.15Å; S179-L183 VanDerWaalsContact O-CG 3.3Å; S179-L183 WeakPolarHBondContact O-CG 3.49Å; S179-L183 PolarHBondContact O-N 3.22Å |
| 180 | Y | 96.5 | Very high | 95.4 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 173.5 | 172.5 | -101.7 | 0 | 0 | 0 | 112.6 | V176 M177 Y178 L183 R184 V190 F194 A195 I198 | V176-Y180 PolarHBondContact O-N 3.37Å; M177-Y180 WeakPolarHBondContact O-CB 3.14Å; M177-Y180 PolarHBondContact O-N 2.73Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 3.49Å; Y180-L183 PolarHBondContact O-N 2.66Å; Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.11Å; Y180-R184 HydrophobicContact CE1-CG 3.88Å; Y180-R184 HydrophobicContact CE2-CG 3.74Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.4Å; Y180-R184 VanDerWaalsContact O-CG 3.23Å; Y180-R184 WeakPolarHBondContact O-CG 3.48Å; Y180-R184 PolarHBondContact O-N 2.89Å; Y180-V190 HydrophobicContact CD2-CB 3.99Å; Y180-V190 HydrophobicContact CD2-CG1 3.68Å; Y180-V190 HydrophobicContact CD2-CG2 4.29Å; Y180-V190 HydrophobicContact CE2-CB 3.65Å; Y180-V190 HydrophobicContact CE2-CG1 3.61Å; Y180-V190 HydrophobicContact CE2-CG2 4.34Å; Y180-F194 AromaticContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CE1 4.07Å; Y180-F194 HydrophobicContact CE2-CD1 4.25Å; Y180-F194 HydrophobicContact CG-CD1 4.3Å; Y180-F194 HydrophobicContact CG-CE1 4.46Å; Y180-A195 HydrophobicContact CE2-CB 4.33Å; Y180-I198 HydrophobicContact CD1-CD1 3.79Å; Y180-I198 HydrophobicContact CD2-CD1 3.91Å; Y180-I198 HydrophobicContact CG-CD1 3.42Å; Y180-I198 VanDerWaalsContact CG-CD1 3.42Å |
| 181 | Y | 94.8 | Very high | 95 | Very high | 96 Ų | 96 | 51.3 Ų | 51.3 | 38% | 0.376 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.9 | -66.3 | -19.3 | 0 | 0 | 0 | 112.7 | M177 Y178 R184 A185 | M177-Y181 HydrophobicContact CE-CE2 3.96Å; M177-Y181 HydrophobicContact CG-CD2 4.18Å; M177-Y181 HydrophobicContact CG-CE1 4.35Å; M177-Y181 HydrophobicContact CG-CE2 3.58Å; M177-Y181 PolarHBondContact O-N 2.76Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; Y178-Y181 AromaticContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CE1-CD2 4.28Å; Y178-Y181 PolarHBondContact O-N 3.42Å; Y181-R184 PolarHBondContact O-N 3.31Å; Y181-A185 VanDerWaalsContact O-CB 3.23Å; Y181-A185 WeakPolarHBondContact O-CB 3.12Å; Y181-A185 PolarHBondContact O-N 3.32Å |
| 182 | A | 96.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L68 Y178 S179 R184 A185 A186 | L68-A182 HydrophobicContact CB-CB 4.27Å; Y178-A182 WeakPolarHBondContact O-CB 3.48Å; Y178-A182 PolarHBondContact O-N 3.02Å; S179-A182 PolarHBondContact O-N 3.15Å; A182-R184 PolarHBondContact O-N 2.93Å; A182-A185 PolarHBondContact O-N 3.42Å; A182-A186 WeakPolarHBondContact O-CB 3.36Å; A182-A186 PolarHBondContact O-N 3.17Å |
| 183 | L | 95.9 | Very high | 94.1 | Very high | 81 Ų | 81 | 64.6 Ų | 64.6 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.2 | -70.9 | 172.9 | 0 | 0 | 0 | 112.2 | S179 Y180 A186 G187 F188 V190 | S179-L183 VanDerWaalsContact O-CG 3.3Å; S179-L183 WeakPolarHBondContact O-CG 3.49Å; S179-L183 PolarHBondContact O-N 3.22Å; Y180-L183 PolarHBondContact O-N 2.66Å; L183-A186 PolarHBondContact O-N 3.03Å; L183-G187 PolarHBondContact O-N 2.86Å; L183-F188 HydrophobicContact CB-CB 4.47Å; L183-F188 HydrophobicContact CD2-CD2 4Å; L183-F188 HydrophobicContact CD2-CE2 4.46Å; L183-F188 WeakPolarHBondContact O-CB 3.44Å; L183-F188 PolarHBondContact O-N 2.88Å; L183-V190 HydrophobicContact CB-CG2 3.96Å |
| 184 | R | 93.4 | Very high | 93.8 | Very high | 124 Ų | 124 | 67.7 Ų | 67.7 | 47% | 0.468 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 177.4 | -72.9 | -68.5 | -60.8 | -171.2 | 2 | 111.8 | Y180 Y181 A182 A186 G187 V190 | Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.11Å; Y180-R184 HydrophobicContact CE1-CG 3.88Å; Y180-R184 HydrophobicContact CE2-CG 3.74Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.4Å; Y180-R184 VanDerWaalsContact O-CG 3.23Å; Y180-R184 WeakPolarHBondContact O-CG 3.48Å; Y180-R184 PolarHBondContact O-N 2.89Å; Y181-R184 PolarHBondContact O-N 3.31Å; A182-R184 PolarHBondContact O-N 2.93Å; R184-A186 VanDerWaalsContact C-N 3.33Å; R184-G187 PolarHBondContact O-N 3.41Å; R184-V190 HydrophobicContact CG-CB 4.45Å; R184-V190 HydrophobicContact CG-CG2 4.2Å; R184-V190 PolarHBondContact NH1-O 3.04Å |
| 185 | A | 92.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 68 Ų | 68 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.9 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R60 L63 V64 Y181 A182 G187 | R60-A185 WeakPolarHBondContact CD-O 3.11Å; R60-A185 WeakPolarHBondContact CG-O 3.5Å; R60-A185 PolarHBondContact NE-O 2.71Å; L63-A185 HydrophobicContact CD2-CB 4.01Å; L63-A185 HydrophobicContact CG-CB 3.93Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.49Å; V64-A185 VanDerWaalsContact CG2-CB 3.49Å; V64-A185 WeakPolarHBondContact CG2-O 3.4Å; Y181-A185 VanDerWaalsContact O-CB 3.23Å; Y181-A185 WeakPolarHBondContact O-CB 3.12Å; Y181-A185 PolarHBondContact O-N 3.32Å; A182-A185 PolarHBondContact O-N 3.42Å; A185-G187 PolarHBondContact O-N 3.19Å |
| 186 | A | 93.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 70.1 Ų | 70.1 | 35% | 0.347 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.8 | -17.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R60 V64 A182 L183 R184 F188 | R60-A186 VanDerWaalsContact NH2-C 3.3Å; R60-A186 PolarHBondContact NH2-O 3.11Å; V64-A186 HydrophobicContact CG1-CB 4.4Å; V64-A186 HydrophobicContact CG2-CB 4.14Å; V64-A186 VanDerWaalsContact CG2-N 3.31Å; A182-A186 WeakPolarHBondContact O-CB 3.36Å; A182-A186 PolarHBondContact O-N 3.17Å; L183-A186 PolarHBondContact O-N 3.03Å; R184-A186 VanDerWaalsContact C-N 3.33Å; A186-F188 HydrophobicContact CB-CD2 3.83Å; A186-F188 HydrophobicContact CB-CE2 3.92Å |
| 187 | G | 91.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.7 | 2.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L183 R184 A185 R189 | L183-G187 PolarHBondContact O-N 2.86Å; R184-G187 PolarHBondContact O-N 3.41Å; A185-G187 PolarHBondContact O-N 3.19Å; G187-R189 PolarHBondContact O-N 3.08Å |
| 188 | F | 92.1 | Very high | 93.1 | Very high | 132 Ų | 132 | 72.9 Ų | 72.9 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | trans | -68.8 | 133 | 176.8 | -65.7 | -80.5 | 0 | 0 | 0 | 110.1 | L183 A186 V190 | L183-F188 HydrophobicContact CB-CB 4.47Å; L183-F188 HydrophobicContact CD2-CD2 4Å; L183-F188 HydrophobicContact CD2-CE2 4.46Å; L183-F188 WeakPolarHBondContact O-CB 3.44Å; L183-F188 PolarHBondContact O-N 2.88Å; A186-F188 HydrophobicContact CB-CD2 3.83Å; A186-F188 HydrophobicContact CB-CE2 3.92Å; F188-V190 PolarHBondContact O-N 2.73Å | ||
| 189 | R | 87.9 | Confident | 93 | Very high | 247 Ų | 247 | 73.1 Ų | 73.1 | 93% | 0.932 | 35% | 0.349 | S | S | * | . | trans | -79.5 | 85.1 | 174.9 | -68.3 | -175.9 | -178.9 | 179.2 | 1.2 | 109.4 | G187 | G187-R189 PolarHBondContact O-N 3.08Š| ||
| 190 | V | 90.1 | Very high | 93 | Very high | 30 Ų | 30 | 74.9 Ų | 74.9 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | trans | -77.9 | 140.5 | 174.1 | -168.3 | 0 | 0 | 0 | 0 | 110.5 | Y180 L183 R184 F188 F194 | Y180-V190 HydrophobicContact CD2-CB 3.99Å; Y180-V190 HydrophobicContact CD2-CG1 3.68Å; Y180-V190 HydrophobicContact CD2-CG2 4.29Å; Y180-V190 HydrophobicContact CE2-CB 3.65Å; Y180-V190 HydrophobicContact CE2-CG1 3.61Å; Y180-V190 HydrophobicContact CE2-CG2 4.34Å; L183-V190 HydrophobicContact CB-CG2 3.96Å; R184-V190 HydrophobicContact CG-CB 4.45Å; R184-V190 HydrophobicContact CG-CG2 4.2Å; R184-V190 PolarHBondContact NH1-O 3.04Å; F188-V190 PolarHBondContact O-N 2.73Å; V190-F194 HydrophobicContact CG1-CB 3.9Å; V190-F194 HydrophobicContact CG1-CD1 3.92Å; V190-F194 HydrophobicContact CG1-CG 4.09Å | ||
| 191 | S | 89.3 | Confident | 93 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | trans | -66.5 | 149.6 | -174.5 | 77.8 | 0 | 0 | 0 | 0 | 112.9 | K193 F194 A195 | S191-K193 PolarHBondContact O-N 3.49Å; S191-F194 WeakPolarHBondContact O-CB 3.48Å; S191-F194 PolarHBondContact O-N 3.36Å; S191-F194 VanDerWaalsContact O-N 3.17Å; S191-F194 PolarHBondContact OG-N 3.11Å; S191-A195 PolarHBondContact O-N 2.9Å | ||
| 192 | R | 87.5 | Confident | 93.1 | Very high | 130 Ų | 130 | 71 Ų | 71 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -29.9 | 175.1 | -173.3 | 176.9 | -179.4 | -166.4 | -2.8 | 112.5 | F194 A195 M196 A255 Y256 | R192-F194 VanDerWaalsContact C-N 3.28Å; R192-F194 PolarHBondContact O-N 3.38Å; R192-A195 PolarHBondContact O-N 3.16Å; R192-M196 PolarHBondContact O-N 2.97Å; R192-A255 PolarHBondContact NH2-O 3.49Å; R192-Y256 HydrophobicContact CG-CE1 4.2Å |
| 193 | K | 89.7 | Confident | 93.2 | Very high | 179 Ų | 179 | 71.4 Ų | 71.4 | 78% | 0.778 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.8 | -37.9 | 175.8 | -64.5 | -175 | 180 | -178.1 | 0 | 111.3 | S191 M196 F197 | S191-K193 PolarHBondContact O-N 3.49Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.46Å; K193-F197 PolarHBondContact O-N 3.43Å |
| 194 | F | 92.8 | Very high | 93.3 | Very high | 80 Ų | 80 | 71.4 Ų | 71.4 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 176.5 | -162.4 | -98.2 | 0 | 0 | 0 | 112.3 | V176 Y180 V190 S191 R192 M196 F197 I198 | V176-F194 HydrophobicContact CG1-CE1 4.24Å; V176-F194 HydrophobicContact CG1-CZ 3.95Å; Y180-F194 AromaticContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CE1 4.07Å; Y180-F194 HydrophobicContact CE2-CD1 4.25Å; Y180-F194 HydrophobicContact CG-CD1 4.3Å; Y180-F194 HydrophobicContact CG-CE1 4.46Å; V190-F194 HydrophobicContact CG1-CB 3.9Å; V190-F194 HydrophobicContact CG1-CD1 3.92Å; V190-F194 HydrophobicContact CG1-CG 4.09Å; S191-F194 WeakPolarHBondContact O-CB 3.48Å; S191-F194 PolarHBondContact O-N 3.36Å; S191-F194 VanDerWaalsContact O-N 3.17Å; S191-F194 PolarHBondContact OG-N 3.11Å; R192-F194 VanDerWaalsContact C-N 3.28Å; R192-F194 PolarHBondContact O-N 3.38Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3Å; F194-F197 WeakPolarHBondContact O-CB 3.46Å; F194-F197 PolarHBondContact O-N 2.67Å; F194-I198 HydrophobicContact CD1-CD1 3.75Å; F194-I198 HydrophobicContact CD1-CG1 4.33Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.23Å; F194-I198 WeakPolarHBondContact O-CG1 3.38Å; F194-I198 PolarHBondContact O-N 3.44Å |
| 195 | A | 91.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 66 Ų | 66 | 12% | 0.116 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y180 S191 R192 I198 T199 Y256 | Y180-A195 HydrophobicContact CE2-CB 4.33Å; S191-A195 PolarHBondContact O-N 2.9Å; R192-A195 PolarHBondContact O-N 3.16Å; A195-I198 PolarHBondContact O-N 2.88Å; A195-T199 PolarHBondContact O-N 3.25Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.27Å; A195-Y256 PolarHBondContact O-OH 3.11Å; A195-Y256 VanDerWaalsContact O-OH 3.1Å |
| 196 | M | 93.5 | Very high | 93.7 | Very high | 56 Ų | 56 | 65.5 Ų | 65.5 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 174 | -173 | -172.8 | -69.4 | 0 | 0 | 111.5 | R192 K193 F194 I198 T199 L200 F252 Y256 | R192-M196 PolarHBondContact O-N 2.97Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.46Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3Å; M196-I198 VanDerWaalsContact C-N 3.33Å; M196-I198 PolarHBondContact O-N 3.37Å; M196-T199 PolarHBondContact O-N 2.9Å; M196-T199 VanDerWaalsContact O-N 3.12Å; M196-L200 HydrophobicContact CG-CD1 4.34Å; M196-L200 WeakPolarHBondContact O-CG 3.16Å; M196-L200 PolarHBondContact O-N 3.12Å; M196-F252 HydrophobicContact CG-CE2 3.61Å; M196-F252 HydrophobicContact CG-CZ 4.03Å; M196-F252 HydrophobicContact SD-CZ 4.39Å; M196-Y256 HydrophobicContact CB-CD1 4.08Å; M196-Y256 HydrophobicContact CB-CE1 3.77Å; M196-Y256 HydrophobicContact CE-CD1 3.57Å; M196-Y256 HydrophobicContact CE-CE1 4.37Å; M196-Y256 HydrophobicContact CE-CG 3.92Å; M196-Y256 HydrophobicContact CG-CD1 4.18Å; M196-Y256 HydrophobicContact CG-CD2 4.49Å; M196-Y256 HydrophobicContact CG-CE1 4.31Å; M196-Y256 HydrophobicContact CG-CG 4.28Å; M196-Y256 PolarHBondContact N-OH 3.41Å |
| 197 | F | 95.4 | Very high | 93.9 | Very high | 115 Ų | 115 | 68.5 Ų | 68.5 | 50% | 0.504 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 175.4 | 173.4 | -100.3 | 0 | 0 | 0 | 112.3 | V176 K193 F194 T199 L200 S201 | V176-F197 HydrophobicContact CG1-CE1 4.46Å; K193-F197 PolarHBondContact O-N 3.43Å; F194-F197 WeakPolarHBondContact O-CB 3.46Å; F194-F197 PolarHBondContact O-N 2.67Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.42Å; F197-L200 PolarHBondContact O-N 3.28Å; F197-S201 PolarHBondContact O-N 3.41Å |
| 198 | I | 95.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 174.8 | -66.9 | 164.4 | 0 | 0 | 0 | 110.5 | V176 M177 Y180 F194 A195 M196 L200 S201 Q202 | V176-I198 HydrophobicContact CG1-CD1 4.48Å; V176-I198 HydrophobicContact CG1-CG1 3.9Å; M177-I198 HydrophobicContact CB-CG2 4.11Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; Y180-I198 HydrophobicContact CD1-CD1 3.79Å; Y180-I198 HydrophobicContact CD2-CD1 3.91Å; Y180-I198 HydrophobicContact CG-CD1 3.42Å; Y180-I198 VanDerWaalsContact CG-CD1 3.42Å; F194-I198 HydrophobicContact CD1-CD1 3.75Å; F194-I198 HydrophobicContact CD1-CG1 4.33Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.23Å; F194-I198 WeakPolarHBondContact O-CG1 3.38Å; F194-I198 PolarHBondContact O-N 3.44Å; A195-I198 PolarHBondContact O-N 2.88Å; M196-I198 VanDerWaalsContact C-N 3.33Å; M196-I198 PolarHBondContact O-N 3.37Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 2.91Å; I198-S201 PolarHBondContact O-N 3.08Å; I198-S201 VanDerWaalsContact O-N 3.16Å; I198-S201 PolarHBondContact O-OG 3.4Å; I198-Q202 WeakPolarHBondContact O-CG 3.35Å; I198-Q202 PolarHBondContact O-N 3.04Å |
| 199 | T | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | -179.6 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | A195 M196 F197 Q202 I203 F251 F252 Y256 | A195-T199 PolarHBondContact O-N 3.25Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.27Å; M196-T199 PolarHBondContact O-N 2.9Å; M196-T199 VanDerWaalsContact O-N 3.12Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.42Å; T199-Q202 PolarHBondContact O-N 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.44Å; T199-I203 PolarHBondContact O-N 3.15Å; T199-I203 VanDerWaalsContact O-N 3.07Å; T199-F251 HydrophobicContact CG2-CD1 3.8Å; T199-F251 HydrophobicContact CG2-CE1 3.95Å; T199-F252 HydrophobicContact CG2-CB 4.2Å; T199-F252 HydrophobicContact CG2-CD2 3.84Å; T199-Y256 HydrophobicContact CG2-CE2 4.18Å; T199-Y256 WeakPolarHBondContact OG1-CE2 3.33Å; T199-Y256 PolarHBondContact OG1-OH 3.31Å; T199-Y256 VanDerWaalsContact OG1-OH 3.14Å |
| 200 | L | 96.3 | Very high | 94.8 | Very high | 76 Ų | 76 | 54 Ų | 54 | 40% | 0.398 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 174.4 | -71 | 171.8 | 0 | 0 | 0 | 111.8 | M196 F197 I198 Q202 I203 T204 F252 | M196-L200 HydrophobicContact CG-CD1 4.34Å; M196-L200 WeakPolarHBondContact O-CG 3.16Å; M196-L200 PolarHBondContact O-N 3.12Å; F197-L200 PolarHBondContact O-N 3.28Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 2.91Å; L200-Q202 VanDerWaalsContact C-N 3.28Å; L200-Q202 PolarHBondContact O-N 3.39Å; L200-I203 PolarHBondContact O-N 3.07Å; L200-I203 VanDerWaalsContact O-N 3.15Å; L200-T204 PolarHBondContact O-N 3.21Å; L200-T204 PolarHBondContact O-OG1 3.43Å; L200-T204 VanDerWaalsContact O-OG1 3.14Å; L200-F252 HydrophobicContact CD1-CE2 4.41Å; L200-F252 HydrophobicContact CD2-CD2 4.19Å; L200-F252 HydrophobicContact CD2-CE2 3.57Å; L200-F252 HydrophobicContact CD2-CZ 3.77Å; L200-F252 HydrophobicContact CG-CD2 4.48Å; L200-F252 HydrophobicContact CG-CE2 3.73Å; L200-F252 HydrophobicContact CG-CZ 4.25Å |
| 201 | S | 97.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 55.9 Ų | 55.9 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 176 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | F197 I198 T204 Q205 | F197-S201 PolarHBondContact O-N 3.41Å; I198-S201 PolarHBondContact O-N 3.08Å; I198-S201 VanDerWaalsContact O-N 3.16Å; I198-S201 PolarHBondContact O-OG 3.4Å; S201-T204 PolarHBondContact O-N 2.88Å; S201-Q205 WeakPolarHBondContact O-CB 3.38Å; S201-Q205 PolarHBondContact O-N 3.07Å |
| 202 | Q | 97.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 173.7 | -72.7 | 171.5 | -35 | 0 | 0 | 111.8 | V173 M177 I198 T199 L200 Q205 M206 F248 | V173-Q202 HydrophobicContact CG1-CB 4.49Å; V173-Q202 HydrophobicContact CG1-CG 3.45Å; V173-Q202 VanDerWaalsContact CG1-CG 3.45Å; M177-Q202 PolarHBondContact SD-NE2 3.42Å; I198-Q202 WeakPolarHBondContact O-CG 3.35Å; I198-Q202 PolarHBondContact O-N 3.04Å; T199-Q202 PolarHBondContact O-N 3.3Å; L200-Q202 VanDerWaalsContact C-N 3.28Å; L200-Q202 PolarHBondContact O-N 3.39Å; Q202-Q205 WeakPolarHBondContact O-CB 3.5Å; Q202-Q205 PolarHBondContact O-N 3.46Å; Q202-M206 WeakPolarHBondContact O-CG 3.35Å; Q202-M206 PolarHBondContact O-N 3.37Å; Q202-M206 VanDerWaalsContact O-N 3.07Å; Q202-F248 HydrophobicContact CB-CD1 4.05Å; Q202-F248 HydrophobicContact CB-CE1 3.91Å; Q202-F248 HydrophobicContact CB-CZ 4.28Å; Q202-F248 HydrophobicContact CG-CE1 4.25Å |
| 203 | I | 97.4 | Very high | 96 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.1 | -69.3 | 166.9 | 0 | 0 | 0 | 110.5 | T199 L200 Q205 M206 M207 L245 F248 F252 | T199-I203 WeakPolarHBondContact O-CG1 3.44Å; T199-I203 PolarHBondContact O-N 3.15Å; T199-I203 VanDerWaalsContact O-N 3.07Å; L200-I203 PolarHBondContact O-N 3.07Å; L200-I203 VanDerWaalsContact O-N 3.15Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.49Å; I203-M206 PolarHBondContact O-N 3.12Å; I203-M207 HydrophobicContact CG2-SD 4.3Å; I203-M207 WeakPolarHBondContact O-CG 3.27Å; I203-M207 PolarHBondContact O-N 3.14Å; I203-L245 HydrophobicContact CG2-CD1 3.94Å; I203-F248 HydrophobicContact CG1-CB 3.77Å; I203-F252 HydrophobicContact CD1-CB 3.85Å; I203-F252 HydrophobicContact CD1-CD2 4.23Å; I203-F252 HydrophobicContact CD1-CG 4.1Å |
| 204 | T | 97.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | L200 S201 M206 M207 M208 | L200-T204 PolarHBondContact O-N 3.21Å; L200-T204 PolarHBondContact O-OG1 3.43Å; L200-T204 VanDerWaalsContact O-OG1 3.14Å; S201-T204 PolarHBondContact O-N 2.88Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.15Å; T204-M207 PolarHBondContact O-N 2.88Å; T204-M208 HydrophobicContact CG2-CG 4.33Å; T204-M208 WeakPolarHBondContact O-CB 3.13Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 3.07Å |
| 205 | Q | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 173 | -178.2 | -157.1 | -55.2 | 0 | 0 | 111.5 | M169 V173 S201 Q202 I203 G209 | M169-Q205 HydrophobicContact CB-CG 4.1Å; V173-Q205 HydrophobicContact CG2-CB 4.08Å; V173-Q205 HydrophobicContact CG2-CG 4.44Å; S201-Q205 WeakPolarHBondContact O-CB 3.38Å; S201-Q205 PolarHBondContact O-N 3.07Å; Q202-Q205 WeakPolarHBondContact O-CB 3.5Å; Q202-Q205 PolarHBondContact O-N 3.46Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.49Å; Q205-G209 PolarHBondContact O-N 3.22Å |
| 206 | M | 97.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -40.5 | 179.4 | -56.5 | -47.3 | 144.9 | 0 | 0 | 112.3 | Q202 I203 T204 G209 C210 Y241 Y244 L245 F248 | Q202-M206 WeakPolarHBondContact O-CG 3.35Å; Q202-M206 PolarHBondContact O-N 3.37Å; Q202-M206 VanDerWaalsContact O-N 3.07Å; I203-M206 PolarHBondContact O-N 3.12Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.15Å; M206-G209 PolarHBondContact O-N 3.22Å; M206-C210 PolarHBondContact O-N 2.91Å; M206-C210 PolarHBondContact O-SG 3.11Å; M206-Y241 HydrophobicContact SD-CD1 3.72Å; M206-Y241 HydrophobicContact SD-CE1 3.9Å; M206-Y244 HydrophobicContact CE-CD2 4.28Å; M206-Y244 HydrophobicContact SD-CD2 3.7Å; M206-Y244 HydrophobicContact SD-CG 4.19Å; M206-L245 HydrophobicContact CB-CB 3.86Å; M206-L245 HydrophobicContact CB-CD1 4.16Å; M206-F248 HydrophobicContact CE-CD2 4.44Å; M206-F248 HydrophobicContact CE-CE2 4.12Å; M206-F248 HydrophobicContact CG-CD2 4.33Å |
| 207 | M | 97.6 | Very high | 96.5 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 52% | 0.517 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -49 | 174.8 | -67.5 | -178.9 | 65.9 | 0 | 0 | 111.7 | I203 T204 G209 C210 V211 L245 | I203-M207 HydrophobicContact CG2-SD 4.3Å; I203-M207 WeakPolarHBondContact O-CG 3.27Å; I203-M207 PolarHBondContact O-N 3.14Å; T204-M207 PolarHBondContact O-N 2.88Å; M207-G209 PolarHBondContact O-N 3.18Å; M207-C210 WeakPolarHBondContact O-CB 3.33Å; M207-C210 PolarHBondContact O-N 3.23Å; M207-V211 WeakPolarHBondContact O-CG2 3.29Å; M207-V211 PolarHBondContact O-N 2.89Å; M207-V211 VanDerWaalsContact O-N 3.07Å; M207-L245 HydrophobicContact CG-CD1 3.59Å; M207-L245 HydrophobicContact CG-CD2 4.17Å |
| 208 | M | 97.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 37% | 0.365 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 175.5 | -71.3 | -60 | -63.2 | 0 | 0 | 111.1 | M169 T204 C210 V211 I212 | M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.55Å; M169-M208 VanDerWaalsContact SD-CB 3.55Å; M169-M208 HydrophobicContact SD-CG 4.28Å; T204-M208 HydrophobicContact CG2-CG 4.33Å; T204-M208 WeakPolarHBondContact O-CB 3.13Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 3.07Å; M208-C210 PolarHBondContact O-N 3Å; M208-V211 PolarHBondContact O-N 3.41Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.46Å; M208-I212 PolarHBondContact O-N 3.28Å |
| 209 | G | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q205 M206 M207 I212 N213 | Q205-G209 PolarHBondContact O-N 3.22Å; M206-G209 PolarHBondContact O-N 3.22Å; M207-G209 PolarHBondContact O-N 3.18Å; G209-I212 PolarHBondContact O-N 3.24Å; G209-N213 PolarHBondContact O-N 2.9Å; G209-N213 PolarHBondContact O-ND2 2.9Å |
| 210 | C | 97.7 | Very high | 95.9 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -41.3 | 172.6 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | M206 M207 M208 N213 Y214 | M206-C210 PolarHBondContact O-N 2.91Å; M206-C210 PolarHBondContact O-SG 3.11Å; M207-C210 WeakPolarHBondContact O-CB 3.33Å; M207-C210 PolarHBondContact O-N 3.23Å; M208-C210 PolarHBondContact O-N 3Å; C210-N213 PolarHBondContact O-N 2.78Å; C210-Y214 PolarHBondContact O-N 2.79Å |
| 211 | V | 97.7 | Very high | 95.4 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63 | -46.6 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | M207 M208 N213 Y214 L215 | M207-V211 WeakPolarHBondContact O-CG2 3.29Å; M207-V211 PolarHBondContact O-N 2.89Å; M207-V211 VanDerWaalsContact O-N 3.07Å; M208-V211 PolarHBondContact O-N 3.41Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 3.39Å; V211-Y214 PolarHBondContact O-N 2.93Å; V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 HydrophobicContact CG1-CG 4.33Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.34Å; V211-L215 PolarHBondContact O-N 3.19Å |
| 212 | I | 97.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 177.8 | -65 | -67 | 0 | 0 | 0 | 110.9 | V98 W165 F166 M169 M208 G209 Y214 L215 V216 | V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.79Å; W165-I212 HydrophobicContact CB-CD1 4.01Å; W165-I212 HydrophobicContact CB-CG1 4.08Å; W165-I212 HydrophobicContact CB-CG2 4.34Å; W165-I212 HydrophobicContact CD2-CD1 3.91Å; W165-I212 HydrophobicContact CG-CD1 3.66Å; W165-I212 HydrophobicContact CG-CG1 4.26Å; F166-I212 HydrophobicContact CE1-CB 3.95Å; F166-I212 HydrophobicContact CE1-CG2 3.88Å; F166-I212 HydrophobicContact CE2-CG2 4.13Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.6Å; M169-I212 HydrophobicContact CE-CG1 4.42Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.46Å; M208-I212 PolarHBondContact O-N 3.28Å; G209-I212 PolarHBondContact O-N 3.24Å; I212-Y214 PolarHBondContact O-N 2.95Å; I212-L215 PolarHBondContact O-N 3.43Å; I212-V216 HydrophobicContact CG2-CG2 4.35Å; I212-V216 WeakPolarHBondContact O-CG2 3.45Å; I212-V216 PolarHBondContact O-N 2.97Å |
| 213 | N | 96.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.6 | -83.5 | -38.2 | 0 | 0 | 0 | 112.6 | F166 G209 C210 V211 V216 F217 S237 S238 | F166-N213 WeakPolarHBondContact CZ-OD1 3.21Å; G209-N213 PolarHBondContact O-N 2.9Å; G209-N213 PolarHBondContact O-ND2 2.9Å; C210-N213 PolarHBondContact O-N 2.78Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 3.39Å; N213-V216 PolarHBondContact O-N 3.36Å; N213-F217 WeakPolarHBondContact O-CB 3.26Å; N213-F217 PolarHBondContact O-N 3.4Å; N213-S237 VanDerWaalsContact CG-OG 3.25Å; N213-S237 PolarHBondContact ND2-OG 3.45Å; N213-S237 VanDerWaalsContact OD1-CB 3.27Å; N213-S237 WeakPolarHBondContact OD1-CB 3.16Å; N213-S237 PolarHBondContact OD1-OG 3.41Å; N213-S238 PolarHBondContact ND2-N 3.01Å |
| 214 | Y | 95.6 | Very high | 91.5 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 57% | 0.573 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 175.1 | 170.5 | -101.1 | 0 | 0 | 0 | 111.9 | C210 V211 I212 F217 N218 | C210-Y214 PolarHBondContact O-N 2.79Å; V211-Y214 PolarHBondContact O-N 2.93Å; I212-Y214 PolarHBondContact O-N 2.95Å; Y214-F217 PolarHBondContact O-N 3.31Å; Y214-N218 WeakPolarHBondContact O-CB 3.46Å; Y214-N218 PolarHBondContact O-N 2.84Å |
| 215 | L | 95.2 | Very high | 89.8 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.141 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 178.4 | -70.6 | 176.4 | 0 | 0 | 0 | 112.2 | L94 V211 I212 F217 N218 W219 | L94-L215 HydrophobicContact CD2-CD1 4.29Å; V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 HydrophobicContact CG1-CG 4.33Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.34Å; V211-L215 PolarHBondContact O-N 3.19Å; I212-L215 PolarHBondContact O-N 3.43Å; L215-F217 VanDerWaalsContact C-N 3.35Å; L215-F217 PolarHBondContact O-N 2.92Å; L215-N218 PolarHBondContact O-N 3.04Å; L215-W219 HydrophobicContact CB-CE3 3.98Å; L215-W219 HydrophobicContact CB-CH2 4.02Å; L215-W219 HydrophobicContact CB-CZ3 3.64Å; L215-W219 HydrophobicContact CD1-CH2 3.98Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.91Å; L215-W219 HydrophobicContact CD2-CZ2 4Å; L215-W219 HydrophobicContact CD2-CZ3 4.4Å; L215-W219 HydrophobicContact CG-CH2 4.19Å; L215-W219 HydrophobicContact CG-CZ3 4.3Å; L215-W219 WeakPolarHBondContact O-CB 3.36Å; L215-W219 PolarHBondContact O-N 3.34Å |
| 216 | V | 94.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | V98 A161 I212 N213 N218 W219 M220 I234 | V98-V216 HydrophobicContact CG1-CG2 3.46Å; V98-V216 VanDerWaalsContact CG1-CG2 3.46Å; A161-V216 HydrophobicContact CB-CG1 4.04Å; A161-V216 HydrophobicContact CB-CG2 4.16Å; I212-V216 HydrophobicContact CG2-CG2 4.35Å; I212-V216 WeakPolarHBondContact O-CG2 3.45Å; I212-V216 PolarHBondContact O-N 2.97Å; N213-V216 PolarHBondContact O-N 3.36Å; V216-N218 PolarHBondContact O-N 3.49Å; V216-W219 PolarHBondContact O-N 2.83Å; V216-M220 WeakPolarHBondContact O-CB 3.44Å; V216-M220 PolarHBondContact O-N 2.88Å; V216-I234 HydrophobicContact CG1-CD1 3.9Å; V216-I234 HydrophobicContact CG1-CG1 4.15Å |
| 217 | F | 93.4 | Very high | 88.1 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 177.7 | -179.6 | -103.1 | 0 | 0 | 0 | 112.4 | N213 Y214 L215 M220 Q221 F231 I234 | N213-F217 WeakPolarHBondContact O-CB 3.26Å; N213-F217 PolarHBondContact O-N 3.4Å; Y214-F217 PolarHBondContact O-N 3.31Å; L215-F217 VanDerWaalsContact C-N 3.35Å; L215-F217 PolarHBondContact O-N 2.92Å; F217-M220 HydrophobicContact CD2-CE 4.34Å; F217-M220 PolarHBondContact O-N 3.49Å; F217-Q221 PolarHBondContact O-N 3.45Å; F217-F231 HydrophobicContact CE2-CD2 4.22Å; F217-F231 HydrophobicContact CE2-CE2 4.15Å; F217-I234 HydrophobicContact CB-CD1 4.35Å; F217-I234 HydrophobicContact CB-CG2 4.12Å; F217-I234 HydrophobicContact CD2-CD1 4.38Å; F217-I234 HydrophobicContact CD2-CG2 4.3Å |
| 218 | N | 92.6 | Very high | 87.6 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | -179 | -174.1 | 53.7 | 0 | 0 | 0 | 111.8 | Y214 L215 V216 Q221 H222 | Y214-N218 WeakPolarHBondContact O-CB 3.46Å; Y214-N218 PolarHBondContact O-N 2.84Å; L215-N218 PolarHBondContact O-N 3.04Å; V216-N218 PolarHBondContact O-N 3.49Å; N218-Q221 PolarHBondContact O-N 2.72Å; N218-H222 PolarHBondContact O-N 3.09Å; N218-H222 PolarHBondContact O-ND1 2.86Å; N218-H222 PolarHBondContact OD1-CE1 2.93Å; N218-H222 PolarHBondContact OD1-ND1 3.38Å |
| 219 | W | 92.1 | Very high | 87.1 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.3 | -28.8 | -179.5 | -66.8 | -35.4 | 0 | 0 | 0 | 113.6 | L94 K95 V98 L215 V216 Q221 H222 D223 C227 | L94-W219 HydrophobicContact CD2-CH2 4.4Å; L94-W219 HydrophobicContact CG-CH2 4.18Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.34Å; K95-W219 HydrophobicContact CB-CE3 4.39Å; K95-W219 HydrophobicContact CB-CH2 3.91Å; K95-W219 HydrophobicContact CB-CZ2 3.81Å; K95-W219 HydrophobicContact CB-CZ3 4.21Å; K95-W219 HydrophobicContact CD-CD2 4.28Å; K95-W219 HydrophobicContact CD-CG 4.33Å; K95-W219 HydrophobicContact CG-CD2 3.75Å; K95-W219 HydrophobicContact CG-CE3 3.99Å; K95-W219 HydrophobicContact CG-CG 4.19Å; K95-W219 HydrophobicContact CG-CH2 4.37Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.31Å; V98-W219 HydrophobicContact CB-CE3 4.26Å; V98-W219 HydrophobicContact CB-CZ3 3.61Å; V98-W219 HydrophobicContact CG1-CE3 4.15Å; V98-W219 HydrophobicContact CG1-CZ3 3.81Å; V98-W219 HydrophobicContact CG2-CH2 4.48Å; V98-W219 HydrophobicContact CG2-CZ3 3.85Å; L215-W219 HydrophobicContact CB-CE3 3.98Å; L215-W219 HydrophobicContact CB-CH2 4.02Å; L215-W219 HydrophobicContact CB-CZ3 3.64Å; L215-W219 HydrophobicContact CD1-CH2 3.98Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.91Å; L215-W219 HydrophobicContact CD2-CZ2 4Å; L215-W219 HydrophobicContact CD2-CZ3 4.4Å; L215-W219 HydrophobicContact CG-CH2 4.19Å; L215-W219 HydrophobicContact CG-CZ3 4.3Å; L215-W219 WeakPolarHBondContact O-CB 3.36Å; L215-W219 PolarHBondContact O-N 3.34Å; V216-W219 PolarHBondContact O-N 2.83Å; W219-Q221 VanDerWaalsContact C-N 3.26Å; W219-Q221 PolarHBondContact O-N 2.92Å; W219-H222 PolarHBondContact O-N 3.49Å; W219-D223 VanDerWaalsContact O-CB 3.31Å; W219-D223 WeakPolarHBondContact O-CB 3.25Å; W219-D223 PolarHBondContact O-N 3.33Å; W219-C227 HydrophobicContact CB-CB 4.29Å |
| 220 | M | 89.7 | Confident | 86.7 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 171.6 | -173.1 | -171.2 | 69.8 | 0 | 0 | 111.7 | V216 F217 I234 | V216-M220 WeakPolarHBondContact O-CB 3.44Å; V216-M220 PolarHBondContact O-N 2.88Å; F217-M220 HydrophobicContact CD2-CE 4.34Å; F217-M220 PolarHBondContact O-N 3.49Å; M220-I234 HydrophobicContact CE-CD1 3.86Å; M220-I234 HydrophobicContact SD-CD1 3.74Å |
| 221 | Q | 84.3 | Confident | 86.3 | Confident | 124 Ų | 124 | 72 Ų | 72 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -79.1 | -31.6 | -179.7 | -71.2 | -169.1 | -13 | 0 | 0 | 114.4 | F217 N218 W219 | F217-Q221 PolarHBondContact O-N 3.45Å; N218-Q221 PolarHBondContact O-N 2.72Å; W219-Q221 VanDerWaalsContact C-N 3.26Å; W219-Q221 PolarHBondContact O-N 2.92Å |
| 222 | H | 80.1 | Confident | 86.1 | Confident | 131 Ų | 131 | 72.7 Ų | 72.7 | 61% | 0.606 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -91.9 | -17 | -170 | -74.2 | 79.5 | 0 | 0 | 0 | 114.4 | N218 W219 | N218-H222 PolarHBondContact O-N 3.09Å; N218-H222 PolarHBondContact O-ND1 2.86Å; N218-H222 PolarHBondContact OD1-CE1 2.93Å; N218-H222 PolarHBondContact OD1-ND1 3.38Å; W219-H222 PolarHBondContact O-N 3.49Å |
| 223 | D | 68.4 | Low | 85.9 | Confident | 51 Ų | 51 | 72.7 Ų | 72.7 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -134.1 | 37.4 | -151.6 | -132.4 | 66.1 | 0 | 0 | 0 | 115.7 | K95 W219 D225 Q226 | K95-D223 WeakPolarHBondContact CE-OD2 3.45Å; K95-D223 IonicContact NZ-OD1 3.08Å; K95-D223 PolarHBondContact NZ-OD1 3.06Å; K95-D223 VanDerWaalsContact NZ-OD1 3.08Å; K95-D223 IonicContact NZ-OD2 2.61Å; K95-D223 PolarHBondContact NZ-OD2 2.88Å; W219-D223 VanDerWaalsContact O-CB 3.31Å; W219-D223 WeakPolarHBondContact O-CB 3.25Å; W219-D223 PolarHBondContact O-N 3.33Å; D223-D225 PolarHBondContact O-N 3.22Å; D223-D225 VanDerWaalsContact O-N 3.11Å; D223-Q226 PolarHBondContact O-N 3.15Å; D223-Q226 VanDerWaalsContact O-N 3.1Å |
| 224 | N | 62.7 | Low | 85.8 | Confident | 163 Ų | 163 | 72.9 Ų | 72.9 | 87% | 0.872 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.6 | 64.1 | 171.5 | -85.7 | -1 | 0 | 0 | 0 | 113.8 | Q226 | N224-Q226 PolarHBondContact O-N 3.31Š|
| 225 | D | 62.3 | Low | 85.8 | Confident | 144 Ų | 144 | 70.7 Ų | 70.7 | 77% | 0.77 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 9.8 | 172.5 | -55.9 | -37.4 | 0 | 0 | 0 | 118.5 | D223 C227 | D223-D225 PolarHBondContact O-N 3.22Å; D223-D225 VanDerWaalsContact O-N 3.11Å; D225-C227 PolarHBondContact O-N 3.08Å |
| 226 | Q | 74.9 | Confident | 85.8 | Confident | 127 Ų | 127 | 75.4 Ų | 75.4 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -68.5 | -14.8 | 173.7 | -67.4 | -127.5 | -12.8 | 0 | 0 | 114.3 | D223 N224 | D223-Q226 PolarHBondContact O-N 3.15Å; D223-Q226 VanDerWaalsContact O-N 3.1Å; N224-Q226 PolarHBondContact O-N 3.31Å |
| 227 | C | 85 | Confident | 85.9 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -123.6 | 82.4 | 178.9 | -149.6 | 0 | 0 | 0 | 0 | 110.5 | C99 A161 W219 D225 S229 | C99-C227 HydrophobicContact CB-CB 3.78Å; C99-C227 WeakPolarHBondContact CB-SG 3.34Å; C99-C227 WeakPolarHBondContact SG-CB 3.36Å; C99-C227 CovalentContact SG-SG 2.05Å; C99-C227 PolarHBondContact SG-SG 2.99Å; A161-C227 VanDerWaalsContact CB-SG 3.59Å; W219-C227 HydrophobicContact CB-CB 4.29Å; D225-C227 PolarHBondContact O-N 3.08Å; C227-S229 PolarHBondContact O-N 2.97Å; C227-S229 VanDerWaalsContact O-N 3.15Å |
| 228 | Y | 86.5 | Confident | 86 | Confident | 99 Ų | 99 | 74.3 Ų | 74.3 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | trans | -67.1 | 113.3 | -176.2 | -175.8 | -93.6 | 0 | 0 | 0 | 111.9 | D158 A161 H230 | D158-Y228 WeakPolarHBondContact O-CE1 3.27Å; A161-Y228 WeakPolarHBondContact CB-O 3.42Å; A161-Y228 PolarHBondContact N-O 3.14Å; Y228-H230 AromaticContact CZ-CE1 3.8Å; Y228-H230 AromaticContact CZ-NE2 3.88Å; Y228-H230 PolarHBondContact OH-CE1 3.32Å; Y228-H230 PolarHBondContact OH-NE2 3.46Å | ||
| 229 | S | 87.1 | Confident | 86.2 | Confident | 13 Ų | 13 | 76 Ų | 76 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | trans | -157.9 | 171.8 | 170.6 | -166.2 | 0 | 0 | 0 | 0 | 109.6 | C227 | C227-S229 PolarHBondContact O-N 2.97Å; C227-S229 VanDerWaalsContact O-N 3.15Å | ||
| 230 | H | 88.8 | Confident | 86.5 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | trans | -115.1 | 143 | 176.3 | -58.7 | -57.4 | 0 | 0 | 0 | 110.5 | D158 Y228 L232 N233 I234 | D158-H230 IonicContact OD2-CD2 3.6Å; D158-H230 IonicContact OD2-NE2 3.87Å; Y228-H230 AromaticContact CZ-CE1 3.8Å; Y228-H230 AromaticContact CZ-NE2 3.88Å; Y228-H230 PolarHBondContact OH-CE1 3.32Å; Y228-H230 PolarHBondContact OH-NE2 3.46Å; H230-L232 PolarHBondContact O-N 3.21Å; H230-N233 HydrophobicContact CB-CB 4.28Å; H230-N233 WeakPolarHBondContact O-CA 3.36Å; H230-N233 WeakPolarHBondContact O-CB 3.17Å; H230-N233 PolarHBondContact O-N 3.45Å; H230-I234 PolarHBondContact O-N 2.9Å | ||
| 231 | F | 89.4 | Confident | 86.8 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -52.2 | -42.9 | 176.3 | 179.6 | -97.3 | 0 | 0 | 0 | 112.3 | F217 N233 I234 F235 | F217-F231 HydrophobicContact CE2-CD2 4.22Å; F217-F231 HydrophobicContact CE2-CE2 4.15Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.5Å; F231-I234 PolarHBondContact O-N 2.96Å; F231-F235 WeakPolarHBondContact O-CB 3.48Å; F231-F235 PolarHBondContact O-N 2.88Å |
| 232 | L | 92.1 | Very high | 87.5 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 178.3 | -170.1 | 61.7 | 0 | 0 | 0 | 112.2 | H230 W236 | H230-L232 PolarHBondContact O-N 3.21Å; L232-W236 PolarHBondContact O-N 3.07Å |
| 233 | N | 93.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.011 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.5 | -49.6 | 176.8 | -163.9 | -64.2 | 0 | 0 | 0 | 111.1 | Y151 Y154 S155 V160 H230 F231 F235 W236 S237 | Y151-N233 PolarHBondContact OH-OD1 3.26Å; Y154-N233 HydrophobicContact CE1-CB 4.17Å; Y154-N233 WeakPolarHBondContact CE1-ND2 3.48Å; S155-N233 WeakPolarHBondContact CA-ND2 3.46Å; S155-N233 WeakPolarHBondContact CB-ND2 3.5Å; S155-N233 PolarHBondContact OG-ND2 3.45Å; S155-N233 PolarHBondContact OG-OD1 3Å; V160-N233 HydrophobicContact CG1-CB 4.34Å; H230-N233 HydrophobicContact CB-CB 4.28Å; H230-N233 WeakPolarHBondContact O-CA 3.36Å; H230-N233 WeakPolarHBondContact O-CB 3.17Å; H230-N233 PolarHBondContact O-N 3.45Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.5Å; N233-F235 VanDerWaalsContact C-N 3.29Å; N233-F235 PolarHBondContact O-N 2.58Å; N233-W236 PolarHBondContact O-N 3.07Å; N233-S237 VanDerWaalsContact O-CB 3.26Å; N233-S237 WeakPolarHBondContact O-CB 3.24Å; N233-S237 PolarHBondContact O-N 3.4Å |
| 234 | I | 93.8 | Very high | 89.7 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.046 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 177.1 | -62.1 | 171 | 0 | 0 | 0 | 110.8 | V216 F217 M220 H230 F231 S237 S238 | V216-I234 HydrophobicContact CG1-CD1 3.9Å; V216-I234 HydrophobicContact CG1-CG1 4.15Å; F217-I234 HydrophobicContact CB-CD1 4.35Å; F217-I234 HydrophobicContact CB-CG2 4.12Å; F217-I234 HydrophobicContact CD2-CD1 4.38Å; F217-I234 HydrophobicContact CD2-CG2 4.3Å; M220-I234 HydrophobicContact CE-CD1 3.86Å; M220-I234 HydrophobicContact SD-CD1 3.74Å; H230-I234 PolarHBondContact O-N 2.9Å; F231-I234 PolarHBondContact O-N 2.96Å; I234-S237 PolarHBondContact O-N 2.97Å; I234-S238 WeakPolarHBondContact O-CB 3.31Å; I234-S238 PolarHBondContact O-N 3.44Å; I234-S238 PolarHBondContact O-OG 2.75Å |
| 235 | F | 95.4 | Very high | 91.3 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -53.7 | 177.1 | 176.8 | -96.8 | 0 | 0 | 0 | 111.6 | F231 N233 S237 S238 L239 | F231-F235 WeakPolarHBondContact O-CB 3.48Å; F231-F235 PolarHBondContact O-N 2.88Å; N233-F235 VanDerWaalsContact C-N 3.29Å; N233-F235 PolarHBondContact O-N 2.58Å; F235-S237 VanDerWaalsContact C-N 3.35Å; F235-S237 PolarHBondContact O-N 2.89Å; F235-S238 PolarHBondContact O-N 3.41Å; F235-L239 WeakPolarHBondContact O-CB 3.35Å; F235-L239 PolarHBondContact O-N 2.89Å |
| 236 | W | 95.9 | Very high | 93 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 47% | 0.473 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 178.9 | -70.4 | 125.8 | 0 | 0 | 0 | 112.7 | Y151 L232 N233 L239 M240 | Y151-W236 HydrophobicContact CD2-CB 4.48Å; L232-W236 PolarHBondContact O-N 3.07Å; N233-W236 PolarHBondContact O-N 3.07Å; W236-L239 HydrophobicContact CE3-CD2 3.95Å; W236-L239 HydrophobicContact CZ3-CD2 3.81Å; W236-M240 VanDerWaalsContact O-CB 3.29Å; W236-M240 WeakPolarHBondContact O-CB 3.45Å; W236-M240 PolarHBondContact O-N 3.29Å |
| 237 | S | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | Y151 N213 N233 I234 F235 L239 M240 Y241 | Y151-S237 VanDerWaalsContact CZ-CB 3.45Å; Y151-S237 WeakPolarHBondContact OH-CB 3.43Å; Y151-S237 PolarHBondContact OH-OG 3.5Å; N213-S237 VanDerWaalsContact CG-OG 3.25Å; N213-S237 PolarHBondContact ND2-OG 3.45Å; N213-S237 VanDerWaalsContact OD1-CB 3.27Å; N213-S237 WeakPolarHBondContact OD1-CB 3.16Å; N213-S237 PolarHBondContact OD1-OG 3.41Å; N233-S237 VanDerWaalsContact O-CB 3.26Å; N233-S237 WeakPolarHBondContact O-CB 3.24Å; N233-S237 PolarHBondContact O-N 3.4Å; I234-S237 PolarHBondContact O-N 2.97Å; F235-S237 VanDerWaalsContact C-N 3.35Å; F235-S237 PolarHBondContact O-N 2.89Å; S237-L239 PolarHBondContact O-N 3Å; S237-M240 PolarHBondContact O-N 3.19Å; S237-Y241 WeakPolarHBondContact O-CD2 3.42Å; S237-Y241 PolarHBondContact O-N 3.23Å |
| 238 | S | 96.3 | Very high | 94.5 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | N213 I234 F235 M240 L242 | N213-S238 PolarHBondContact ND2-N 3.01Å; I234-S238 WeakPolarHBondContact O-CB 3.31Å; I234-S238 PolarHBondContact O-N 3.44Å; I234-S238 PolarHBondContact O-OG 2.75Å; F235-S238 PolarHBondContact O-N 3.41Å; S238-M240 PolarHBondContact O-N 3.07Å; S238-L242 WeakPolarHBondContact O-CB 3.47Å; S238-L242 PolarHBondContact O-N 3.42Å |
| 239 | L | 97 | Very high | 94.9 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 43% | 0.429 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.7 | -178.8 | 62.7 | 0 | 0 | 0 | 111.3 | F235 W236 S237 S243 | F235-L239 WeakPolarHBondContact O-CB 3.35Å; F235-L239 PolarHBondContact O-N 2.89Å; W236-L239 HydrophobicContact CE3-CD2 3.95Å; W236-L239 HydrophobicContact CZ3-CD2 3.81Å; S237-L239 PolarHBondContact O-N 3Å; L239-S243 VanDerWaalsContact O-CB 3.25Å; L239-S243 WeakPolarHBondContact O-CB 3.46Å; L239-S243 PolarHBondContact O-N 3.32Å; L239-S243 PolarHBondContact O-OG 2.67Å |
| 240 | M | 97.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -55.4 | 178.3 | -177.3 | -170 | 65.7 | 0 | 0 | 111.2 | Y151 W236 S237 S238 L242 S243 Y244 | Y151-M240 HydrophobicContact CD1-CE 3.4Å; Y151-M240 VanDerWaalsContact CD1-CE 3.4Å; Y151-M240 HydrophobicContact CD1-SD 3.87Å; Y151-M240 HydrophobicContact CE1-CE 3.76Å; Y151-M240 HydrophobicContact CG-CE 3.92Å; Y151-M240 HydrophobicContact CG-SD 3.89Å; W236-M240 VanDerWaalsContact O-CB 3.29Å; W236-M240 WeakPolarHBondContact O-CB 3.45Å; W236-M240 PolarHBondContact O-N 3.29Å; S237-M240 PolarHBondContact O-N 3.19Å; S238-M240 PolarHBondContact O-N 3.07Å; M240-L242 PolarHBondContact O-N 3.47Å; M240-S243 PolarHBondContact O-N 3.18Å; M240-S243 PolarHBondContact O-OG 2.83Å; M240-Y244 HydrophobicContact CE-CE2 4.35Å; M240-Y244 HydrophobicContact CG-CD2 4.1Å; M240-Y244 HydrophobicContact CG-CE1 3.95Å; M240-Y244 HydrophobicContact CG-CE2 3.45Å; M240-Y244 VanDerWaalsContact CG-CE2 3.45Å; M240-Y244 WeakPolarHBondContact CG-OH 3.39Å; M240-Y244 WeakPolarHBondContact O-CD1 3.48Å; M240-Y244 VanDerWaalsContact O-CG 3.29Å; M240-Y244 PolarHBondContact O-N 3.02Å; M240-Y244 HydrophobicContact SD-CE2 3.79Å |
| 241 | Y | 97.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | -177.6 | -87.8 | -78.8 | 0 | 0 | 0 | 112.9 | F166 M206 S237 Y244 L245 | F166-Y241 HydrophobicContact CD1-CE1 4.31Å; F166-Y241 AromaticContact CD1-CE2 3.52Å; F166-Y241 HydrophobicContact CD1-CE2 3.52Å; F166-Y241 AromaticContact CD1-CZ 3.39Å; F166-Y241 WeakPolarHBondContact CD1-OH 3.34Å; F166-Y241 HydrophobicContact CE1-CD2 4.15Å; F166-Y241 AromaticContact CE1-CE2 3.54Å; F166-Y241 HydrophobicContact CE1-CE2 3.54Å; F166-Y241 AromaticContact CE1-CZ 3.8Å; F166-Y241 HydrophobicContact CG-CE2 4.16Å; F166-Y241 HydrophobicContact CZ-CE2 4.23Å; M206-Y241 HydrophobicContact SD-CD1 3.72Å; M206-Y241 HydrophobicContact SD-CE1 3.9Å; S237-Y241 WeakPolarHBondContact O-CD2 3.42Å; S237-Y241 PolarHBondContact O-N 3.23Å; Y241-Y244 PolarHBondContact O-N 3.36Å; Y241-L245 WeakPolarHBondContact O-CB 3.47Å; Y241-L245 PolarHBondContact O-N 3.23Å |
| 242 | L | 97.1 | Very high | 95.7 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 175.6 | -177.5 | 61.8 | 0 | 0 | 0 | 111.5 | S238 M240 Y244 L245 V246 | S238-L242 WeakPolarHBondContact O-CB 3.47Å; S238-L242 PolarHBondContact O-N 3.42Å; M240-L242 PolarHBondContact O-N 3.47Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 3.44Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 2.92Å; L242-V246 WeakPolarHBondContact O-CG2 3.37Å; L242-V246 PolarHBondContact O-N 3.41Å; L242-V246 VanDerWaalsContact O-N 3.09Å |
| 243 | S | 97.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -42 | 176.8 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | Y143 L239 M240 V246 L247 | Y143-S243 WeakPolarHBondContact CE1-OG 3.47Å; Y143-S243 PolarHBondContact OH-OG 3.48Å; Y143-S243 VanDerWaalsContact OH-OG 3.09Å; L239-S243 VanDerWaalsContact O-CB 3.25Å; L239-S243 WeakPolarHBondContact O-CB 3.46Å; L239-S243 PolarHBondContact O-N 3.32Å; L239-S243 PolarHBondContact O-OG 2.67Å; M240-S243 PolarHBondContact O-N 3.18Å; M240-S243 PolarHBondContact O-OG 2.83Å; S243-V246 PolarHBondContact O-N 3.15Å; S243-L247 WeakPolarHBondContact O-CB 3.49Å; S243-L247 VanDerWaalsContact O-CG 3.25Å; S243-L247 WeakPolarHBondContact O-CG 3.4Å; S243-L247 PolarHBondContact O-N 2.96Å |
| 244 | Y | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 177.1 | -66.7 | -7.8 | 0 | 0 | 0 | 111.5 | Y143 H144 T147 V148 M206 M240 Y241 L242 V246 L247 F248 | Y143-Y244 HydrophobicContact CD1-CD1 4.32Å; Y143-Y244 AromaticContact CD1-CE1 3.97Å; Y143-Y244 HydrophobicContact CD1-CE1 3.97Å; Y143-Y244 AromaticContact CE1-CD1 3.91Å; Y143-Y244 HydrophobicContact CE1-CD1 3.91Å; Y143-Y244 AromaticContact CE1-CE1 3.65Å; Y143-Y244 HydrophobicContact CE1-CE1 3.65Å; H144-Y244 HydrophobicContact CB-CE1 4.17Å; H144-Y244 AromaticContact CD2-CD2 3.92Å; H144-Y244 AromaticContact CD2-CE2 3.43Å; H144-Y244 VanDerWaalsContact CD2-CE2 3.43Å; H144-Y244 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y244 AromaticContact CD2-CZ 3.52Å; H144-Y244 PolarHBondContact O-OH 3.39Å; H144-Y244 VanDerWaalsContact O-OH 3.1Å; T147-Y244 WeakPolarHBondContact CB-OH 3.35Å; T147-Y244 WeakPolarHBondContact OG1-CE1 3.46Å; T147-Y244 PolarHBondContact OG1-OH 3.47Å; V148-Y244 PolarHBondContact N-OH 3.45Å; M206-Y244 HydrophobicContact CE-CD2 4.28Å; M206-Y244 HydrophobicContact SD-CD2 3.7Å; M206-Y244 HydrophobicContact SD-CG 4.19Å; M240-Y244 HydrophobicContact CE-CE2 4.35Å; M240-Y244 HydrophobicContact CG-CD2 4.1Å; M240-Y244 HydrophobicContact CG-CE1 3.95Å; M240-Y244 HydrophobicContact CG-CE2 3.45Å; M240-Y244 VanDerWaalsContact CG-CE2 3.45Å; M240-Y244 WeakPolarHBondContact CG-OH 3.39Å; M240-Y244 WeakPolarHBondContact O-CD1 3.48Å; M240-Y244 VanDerWaalsContact O-CG 3.29Å; M240-Y244 PolarHBondContact O-N 3.02Å; M240-Y244 HydrophobicContact SD-CE2 3.79Å; Y241-Y244 PolarHBondContact O-N 3.36Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 3.44Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.4Å; Y244-L247 PolarHBondContact O-N 3.48Å; Y244-F248 WeakPolarHBondContact O-CB 3.46Å; Y244-F248 VanDerWaalsContact O-CD2 3.3Å; Y244-F248 WeakPolarHBondContact O-CD2 3.46Å; Y244-F248 PolarHBondContact O-N 2.99Å |
| 245 | L | 97.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.8 | -49.4 | 176.7 | 179.4 | 58.8 | 0 | 0 | 0 | 111 | I203 M206 M207 Y241 L242 C249 | I203-L245 HydrophobicContact CG2-CD1 3.94Å; M206-L245 HydrophobicContact CB-CB 3.86Å; M206-L245 HydrophobicContact CB-CD1 4.16Å; M207-L245 HydrophobicContact CG-CD1 3.59Å; M207-L245 HydrophobicContact CG-CD2 4.17Å; Y241-L245 WeakPolarHBondContact O-CB 3.47Å; Y241-L245 PolarHBondContact O-N 3.23Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 2.92Å; L245-C249 VanDerWaalsContact O-CB 3.29Å; L245-C249 WeakPolarHBondContact O-CB 3.08Å; L245-C249 PolarHBondContact O-N 3.08Å; L245-C249 PolarHBondContact O-SG 3.12Å |
| 246 | V | 97.4 | Very high | 95 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L242 S243 Y244 C249 H250 | L242-V246 WeakPolarHBondContact O-CG2 3.37Å; L242-V246 PolarHBondContact O-N 3.41Å; L242-V246 VanDerWaalsContact O-N 3.09Å; S243-V246 PolarHBondContact O-N 3.15Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.4Å; V246-C249 PolarHBondContact O-N 2.68Å; V246-H250 WeakPolarHBondContact O-CB 3.42Å; V246-H250 PolarHBondContact O-N 3.35Å |
| 247 | L | 95.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | -177.3 | -69.2 | 169.3 | 0 | 0 | 0 | 112.9 | F139 L140 Y143 S243 Y244 F251 | F139-L247 HydrophobicContact CD1-CD1 4.47Å; F139-L247 HydrophobicContact CD1-CD2 4.11Å; F139-L247 HydrophobicContact CE1-CD1 4.12Å; F139-L247 HydrophobicContact CE1-CD2 4.16Å; L140-L247 HydrophobicContact CD1-CB 3.59Å; L140-L247 HydrophobicContact CD1-CD1 4.04Å; L140-L247 HydrophobicContact CD1-CG 4.46Å; Y143-L247 HydrophobicContact CD1-CD1 3.64Å; Y143-L247 HydrophobicContact CE1-CD1 3.79Å; S243-L247 WeakPolarHBondContact O-CB 3.49Å; S243-L247 VanDerWaalsContact O-CG 3.25Å; S243-L247 WeakPolarHBondContact O-CG 3.4Å; S243-L247 PolarHBondContact O-N 2.96Å; Y244-L247 PolarHBondContact O-N 3.48Å; L247-F251 WeakPolarHBondContact O-CB 3.17Å; L247-F251 PolarHBondContact O-N 2.91Å |
| 248 | F | 94.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71 | -39.6 | 176.2 | -88.1 | -76.4 | 0 | 0 | 0 | 112 | L140 Q202 I203 M206 Y244 F251 F252 | L140-F248 HydrophobicContact CD1-CD2 4.04Å; L140-F248 HydrophobicContact CD1-CE2 3.88Å; L140-F248 HydrophobicContact CD1-CZ 4.32Å; L140-F248 HydrophobicContact CD2-CD1 4.04Å; L140-F248 HydrophobicContact CD2-CD2 4.45Å; L140-F248 HydrophobicContact CD2-CE1 3.97Å; L140-F248 HydrophobicContact CD2-CE2 4.39Å; L140-F248 HydrophobicContact CD2-CG 4.28Å; L140-F248 HydrophobicContact CD2-CZ 4.15Å; Q202-F248 HydrophobicContact CB-CD1 4.05Å; Q202-F248 HydrophobicContact CB-CE1 3.91Å; Q202-F248 HydrophobicContact CB-CZ 4.28Å; Q202-F248 HydrophobicContact CG-CE1 4.25Å; I203-F248 HydrophobicContact CG1-CB 3.77Å; M206-F248 HydrophobicContact CE-CD2 4.44Å; M206-F248 HydrophobicContact CE-CE2 4.12Å; M206-F248 HydrophobicContact CG-CD2 4.33Å; Y244-F248 WeakPolarHBondContact O-CB 3.46Å; Y244-F248 VanDerWaalsContact O-CD2 3.3Å; Y244-F248 WeakPolarHBondContact O-CD2 3.46Å; Y244-F248 PolarHBondContact O-N 2.99Å; F248-F251 PolarHBondContact O-N 3.41Å; F248-F252 WeakPolarHBondContact O-CB 2.98Å; F248-F252 PolarHBondContact O-N 3.12Å |
| 249 | C | 95.6 | Very high | 92 | Very high | 40 Ų | 40 | 55 Ų | 55 | 27% | 0.27 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 171.4 | -75.6 | 0 | 0 | 0 | 0 | 110.6 | L245 V246 F251 F252 F253 | L245-C249 VanDerWaalsContact O-CB 3.29Å; L245-C249 WeakPolarHBondContact O-CB 3.08Å; L245-C249 PolarHBondContact O-N 3.08Å; L245-C249 PolarHBondContact O-SG 3.12Å; V246-C249 PolarHBondContact O-N 2.68Å; C249-F251 PolarHBondContact O-N 3.41Å; C249-F252 WeakPolarHBondContact O-CB 3.49Å; C249-F252 PolarHBondContact O-N 3.21Å; C249-F252 VanDerWaalsContact O-N 3.14Å; C249-F253 WeakPolarHBondContact O-CD2 3.17Å; C249-F253 PolarHBondContact O-N 3.47Å |
| 250 | H | 94.9 | Very high | 90.3 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.2 | -48.9 | 176 | -178.2 | -89.5 | 0 | 0 | 0 | 111.8 | V246 F252 F253 E254 | V246-H250 WeakPolarHBondContact O-CB 3.42Å; V246-H250 PolarHBondContact O-N 3.35Å; H250-F252 VanDerWaalsContact C-N 3.32Å; H250-F252 PolarHBondContact O-N 3.1Å; H250-F253 PolarHBondContact O-N 3.01Å; H250-E254 IonicContact CE1-OE1 2.81Å; H250-E254 PolarHBondContact CE1-OE1 3.35Å; H250-E254 VanDerWaalsContact CE1-OE1 3.23Å; H250-E254 IonicContact CE1-OE2 3.31Å; H250-E254 IonicContact ND1-OE2 3.79Å; H250-E254 IonicContact NE2-OE1 2.97Å; H250-E254 PolarHBondContact O-N 3.3Å |
| 251 | F | 93.4 | Very high | 88.3 | Confident | 66 Ų | 66 | 63 Ų | 63 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 175.8 | 173.3 | -99 | 0 | 0 | 0 | 112.4 | I138 L140 T199 L247 F248 C249 E254 A255 | I138-F251 HydrophobicContact CD1-CD2 4.31Å; I138-F251 HydrophobicContact CD1-CE2 4.28Å; L140-F251 HydrophobicContact CD2-CB 4.15Å; L140-F251 HydrophobicContact CD2-CG 4.39Å; T199-F251 HydrophobicContact CG2-CD1 3.8Å; T199-F251 HydrophobicContact CG2-CE1 3.95Å; L247-F251 WeakPolarHBondContact O-CB 3.17Å; L247-F251 PolarHBondContact O-N 2.91Å; F248-F251 PolarHBondContact O-N 3.41Å; C249-F251 PolarHBondContact O-N 3.41Å; F251-E254 PolarHBondContact O-N 3.21Å; F251-A255 HydrophobicContact CE1-CB 4.34Å; F251-A255 HydrophobicContact CE2-CB 4.36Å; F251-A255 HydrophobicContact CZ-CB 4.17Å; F251-A255 WeakPolarHBondContact O-CB 3.31Å; F251-A255 PolarHBondContact O-N 3.04Å |
| 252 | F | 93.6 | Very high | 86.2 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 13% | 0.127 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 178.8 | -177 | -89.1 | 0 | 0 | 0 | 111.8 | M196 T199 L200 I203 F248 C249 H250 E254 A255 Y256 I257 | M196-F252 HydrophobicContact CG-CE2 3.61Å; M196-F252 HydrophobicContact CG-CZ 4.03Å; M196-F252 HydrophobicContact SD-CZ 4.39Å; T199-F252 HydrophobicContact CG2-CB 4.2Å; T199-F252 HydrophobicContact CG2-CD2 3.84Å; L200-F252 HydrophobicContact CD1-CE2 4.41Å; L200-F252 HydrophobicContact CD2-CD2 4.19Å; L200-F252 HydrophobicContact CD2-CE2 3.57Å; L200-F252 HydrophobicContact CD2-CZ 3.77Å; L200-F252 HydrophobicContact CG-CD2 4.48Å; L200-F252 HydrophobicContact CG-CE2 3.73Å; L200-F252 HydrophobicContact CG-CZ 4.25Å; I203-F252 HydrophobicContact CD1-CB 3.85Å; I203-F252 HydrophobicContact CD1-CD2 4.23Å; I203-F252 HydrophobicContact CD1-CG 4.1Å; F248-F252 WeakPolarHBondContact O-CB 2.98Å; F248-F252 PolarHBondContact O-N 3.12Å; C249-F252 WeakPolarHBondContact O-CB 3.49Å; C249-F252 PolarHBondContact O-N 3.21Å; C249-F252 VanDerWaalsContact O-N 3.14Å; H250-F252 VanDerWaalsContact C-N 3.32Å; H250-F252 PolarHBondContact O-N 3.1Å; F252-E254 PolarHBondContact O-N 3.39Å; F252-A255 PolarHBondContact O-N 2.05Å; F252-Y256 AromaticContact CD2-CD2 3.53Å; F252-Y256 HydrophobicContact CD2-CD2 3.53Å; F252-Y256 AromaticContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CG 4.48Å; F252-Y256 AromaticContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CE2 4.3Å; F252-Y256 HydrophobicContact CE2-CG 4.36Å; F252-Y256 HydrophobicContact CG-CD2 4.04Å; F252-Y256 HydrophobicContact CZ-CD2 4.47Å; F252-Y256 WeakPolarHBondContact O-CB 3.31Å; F252-Y256 WeakPolarHBondContact O-CD2 3.23Å; F252-Y256 PolarHBondContact O-N 2.91Å; F252-I257 HydrophobicContact CD1-CD1 4.17Å; F252-I257 HydrophobicContact CE1-CD1 3.86Å; F252-I257 HydrophobicContact CE1-CG1 4.22Å |
| 253 | F | 92.6 | Very high | 84.1 | Confident | 121 Ų | 121 | 69.7 Ų | 69.7 | 53% | 0.531 | 35% | 0.351 | S | S | . | . | I | π-helix | trans | -59.2 | -47.3 | 176.3 | -81.5 | -71.6 | 0 | 0 | 0 | 111.5 | C249 H250 I257 G258 | C249-F253 WeakPolarHBondContact O-CD2 3.17Å; C249-F253 PolarHBondContact O-N 3.47Å; H250-F253 PolarHBondContact O-N 3.01Å; F253-I257 HydrophobicContact CD1-CB 4.25Å; F253-I257 HydrophobicContact CD1-CD1 3.49Å; F253-I257 VanDerWaalsContact CD1-CD1 3.49Å; F253-I257 HydrophobicContact CD1-CG1 4.38Å; F253-I257 HydrophobicContact CD1-CG2 4.45Å; F253-I257 HydrophobicContact CE1-CD1 3.53Å; F253-I257 HydrophobicContact CG-CD1 4.45Å; F253-I257 PolarHBondContact O-N 3.36Å; F253-G258 PolarHBondContact O-N 2.94Å |
| 254 | E | 89.9 | Confident | 82 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | I | π-helix | trans | -66.6 | -44.1 | 179.1 | -70.4 | -166.7 | 141.8 | 0 | 0 | 113.1 | H250 F251 F252 | H250-E254 IonicContact CE1-OE1 2.81Å; H250-E254 PolarHBondContact CE1-OE1 3.35Å; H250-E254 VanDerWaalsContact CE1-OE1 3.23Å; H250-E254 IonicContact CE1-OE2 3.31Å; H250-E254 IonicContact ND1-OE2 3.79Å; H250-E254 IonicContact NE2-OE1 2.97Å; H250-E254 PolarHBondContact O-N 3.3Å; F251-E254 PolarHBondContact O-N 3.21Å; F252-E254 PolarHBondContact O-N 3.39Å |
| 255 | A | 88 | Confident | 79.7 | Confident | 22 Ų | 22 | 81.8 Ų | 81.8 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | I | π-helix | trans | -76.9 | -33.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R192 F251 F252 | R192-A255 PolarHBondContact NH2-O 3.49Å; F251-A255 HydrophobicContact CE1-CB 4.34Å; F251-A255 HydrophobicContact CE2-CB 4.36Å; F251-A255 HydrophobicContact CZ-CB 4.17Å; F251-A255 WeakPolarHBondContact O-CB 3.31Å; F251-A255 PolarHBondContact O-N 3.04Å; F252-A255 PolarHBondContact O-N 2.05Å |
| 256 | Y | 89 | Confident | 77.5 | Confident | 19 Ų | 19 | 84.3 Ų | 84.3 | 8% | 0.075 | 44% | 0.435 | C | S | . | . | I | π-helix | trans | -114 | -53.5 | -171.5 | -60.6 | -72.5 | 0 | 0 | 0 | 112.9 | R192 A195 M196 T199 F252 M260 | R192-Y256 HydrophobicContact CG-CE1 4.2Å; A195-Y256 PolarHBondContact O-OH 3.11Å; A195-Y256 VanDerWaalsContact O-OH 3.1Å; M196-Y256 HydrophobicContact CB-CD1 4.08Å; M196-Y256 HydrophobicContact CB-CE1 3.77Å; M196-Y256 HydrophobicContact CE-CD1 3.57Å; M196-Y256 HydrophobicContact CE-CE1 4.37Å; M196-Y256 HydrophobicContact CE-CG 3.92Å; M196-Y256 HydrophobicContact CG-CD1 4.18Å; M196-Y256 HydrophobicContact CG-CD2 4.49Å; M196-Y256 HydrophobicContact CG-CE1 4.31Å; M196-Y256 HydrophobicContact CG-CG 4.28Å; M196-Y256 PolarHBondContact N-OH 3.41Å; T199-Y256 HydrophobicContact CG2-CE2 4.18Å; T199-Y256 WeakPolarHBondContact OG1-CE2 3.33Å; T199-Y256 PolarHBondContact OG1-OH 3.31Å; T199-Y256 VanDerWaalsContact OG1-OH 3.14Å; F252-Y256 AromaticContact CD2-CD2 3.53Å; F252-Y256 HydrophobicContact CD2-CD2 3.53Å; F252-Y256 AromaticContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CG 4.48Å; F252-Y256 AromaticContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CE2 4.3Å; F252-Y256 HydrophobicContact CE2-CG 4.36Å; F252-Y256 HydrophobicContact CG-CD2 4.04Å; F252-Y256 HydrophobicContact CZ-CD2 4.47Å; F252-Y256 WeakPolarHBondContact O-CB 3.31Å; F252-Y256 WeakPolarHBondContact O-CD2 3.23Å; F252-Y256 PolarHBondContact O-N 2.91Å; Y256-M260 WeakPolarHBondContact O-CG 3.35Å; Y256-M260 PolarHBondContact O-N 3.23Å |
| 257 | I | 86.1 | Confident | 74.8 | Confident | 60 Ų | 60 | 90 Ų | 90 | 31% | 0.308 | 46% | 0.456 | S | S | . | . | I | π-helix | trans | -79.8 | -46 | -173 | -62.4 | 174.8 | 0 | 0 | 0 | 111.4 | F252 F253 K259 M260 K261 | F252-I257 HydrophobicContact CD1-CD1 4.17Å; F252-I257 HydrophobicContact CE1-CD1 3.86Å; F252-I257 HydrophobicContact CE1-CG1 4.22Å; F253-I257 HydrophobicContact CD1-CB 4.25Å; F253-I257 HydrophobicContact CD1-CD1 3.49Å; F253-I257 VanDerWaalsContact CD1-CD1 3.49Å; F253-I257 HydrophobicContact CD1-CG1 4.38Å; F253-I257 HydrophobicContact CD1-CG2 4.45Å; F253-I257 HydrophobicContact CE1-CD1 3.53Å; F253-I257 HydrophobicContact CG-CD1 4.45Å; F253-I257 PolarHBondContact O-N 3.36Å; I257-K259 PolarHBondContact O-N 3.48Å; I257-M260 PolarHBondContact O-N 3.47Å; I257-M260 VanDerWaalsContact O-N 3.15Å; I257-K261 PolarHBondContact O-N 3.35Å; I257-K261 VanDerWaalsContact O-N 3.12Å |
| 258 | G | 74.4 | Confident | 73.7 | Confident | 34 Ų | 34 | 92.6 Ų | 92.6 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -31.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F253 K262 | F253-G258 PolarHBondContact O-N 2.94Å; G258-K262 PolarHBondContact O-N 3.31Å |
| 259 | K | 65.7 | Low | 72.6 | Confident | 124 Ų | 124 | 96.6 Ų | 96.6 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.9 | -39.3 | 173.6 | -73 | -168.5 | 179 | -177.9 | 0 | 113 | I257 K261 K262 T263 | I257-K259 PolarHBondContact O-N 3.48Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K259-K261 PolarHBondContact O-N 2.88Å; K259-K262 PolarHBondContact O-N 3.49Å; K259-T263 PolarHBondContact O-N 3.4Å; K259-T263 PolarHBondContact O-OG1 3.47Å |
| 260 | M | 60.7 | Low | 71.3 | Confident | 113 Ų | 113 | 99.7 Ų | 99.7 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 175.7 | -75.7 | 174.1 | 60.5 | 0 | 0 | 111.3 | Y256 I257 K262 T263 T264 | Y256-M260 WeakPolarHBondContact O-CG 3.35Å; Y256-M260 PolarHBondContact O-N 3.23Å; I257-M260 PolarHBondContact O-N 3.47Å; I257-M260 VanDerWaalsContact O-N 3.15Å; M260-K262 PolarHBondContact O-N 2.88Å; M260-T263 PolarHBondContact O-N 2.61Å; M260-T263 VanDerWaalsContact O-N 3.14Å; M260-T264 PolarHBondContact O-N 2.81Å; M260-T264 PolarHBondContact O-OG1 3.38Å; M260-T264 VanDerWaalsContact O-OG1 3.11Å |
| 261 | K | 55.6 | Low | 69.9 | Low | 149 Ų | 149 | 99.4 Ų | 99.4 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -26.7 | 176.6 | -74.6 | -173.3 | 177.2 | -177.2 | 0 | 114.3 | I257 K259 K265 | I257-K261 PolarHBondContact O-N 3.35Å; I257-K261 VanDerWaalsContact O-N 3.12Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K259-K261 PolarHBondContact O-N 2.88Å; K261-K265 WeakPolarHBondContact O-CG 3.17Å |
| 262 | K | 53.4 | Low | 68.5 | Low | 165 Ų | 165 | 101.5 Ų | 101.5 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -79.4 | -34.9 | 175.3 | -77.8 | -173.3 | 176.7 | -174.5 | 0 | 112.5 | G258 K259 M260 A266 | G258-K262 PolarHBondContact O-N 3.31Å; K259-K262 PolarHBondContact O-N 3.49Å; M260-K262 PolarHBondContact O-N 2.88Å; K262-A266 PolarHBondContact O-N 3.15Å |
| 263 | T | 53.3 | Low | 66.8 | Low | 84 Ų | 84 | 106.3 Ų | 106.3 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 176 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | K259 M260 K265 A266 E267 | K259-T263 PolarHBondContact O-N 3.4Å; K259-T263 PolarHBondContact O-OG1 3.47Å; M260-T263 PolarHBondContact O-N 2.61Å; M260-T263 VanDerWaalsContact O-N 3.14Å; T263-K265 PolarHBondContact O-N 3.08Å; T263-A266 PolarHBondContact O-N 3.34Å; T263-A266 VanDerWaalsContact O-N 3.15Å; T263-E267 PolarHBondContact O-N 3.2Å |
| 264 | T | 52.2 | Low | 64.9 | Low | 99 Ų | 99 | 105.3 Ų | 105.3 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.3 | 178.8 | -46.1 | 0 | 0 | 0 | 0 | 114.3 | M260 | M260-T264 PolarHBondContact O-N 2.81Å; M260-T264 PolarHBondContact O-OG1 3.38Å; M260-T264 VanDerWaalsContact O-OG1 3.11Å |
| 265 | K | 50 | Low | 63 | Low | 186 Ų | 186 | 104.2 Ų | 104.2 | 81% | 0.809 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.1 | 174.2 | -82.2 | -170.7 | 173.7 | -167.1 | 0 | 113.5 | K261 T263 | K261-K265 WeakPolarHBondContact O-CG 3.17Å; T263-K265 PolarHBondContact O-N 3.08Å |
| 266 | A | 50.2 | Low | 60.9 | Low | 89 Ų | 89 | 111 Ų | 111 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | trans | -104 | -3.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | K262 T263 | K262-A266 PolarHBondContact O-N 3.15Å; T263-A266 PolarHBondContact O-N 3.34Å; T263-A266 VanDerWaalsContact O-N 3.15Å | ||
| 267 | E | 40.8 | Very low | 58.4 | Low | 210 Ų | 210 | 119.4 Ų | 119.4 | 98% | 0.981 | 62% | 0.615 | S | S | * | * | trans | -98.4 | 0 | 165.3 | -68.8 | 175.3 | 165.7 | 0 | 0 | 108.7 | T263 | T263-E267 PolarHBondContact O-N 3.2Š|
Retrieved 267 of 267 residues in 311.5 ms
(Link to these results)